data_15718 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15718 _Entry.Title ; Solution Structure of the inner DysF domain of human myoferlin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-07 _Entry.Accession_date 2008-04-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Pryank Patel . . . 15718 2 Richard Harris . . . 15718 3 Nicholas Keep . . . 15718 4 Paul Driscoll . . . 15718 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 . 'not applicable' 'not applicable' . 15718 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DysF . 15718 Dysferlin . 15718 Limb-girdle . 15718 'Muscular Dystrophy' . 15718 Myoferlin . 15718 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15718 conformer_family_coord_set 1 15718 RDCs 1 15718 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 544 15718 '15N chemical shifts' 132 15718 '1H chemical shifts' 821 15718 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 . . 2010-06-02 2008-04-07 update BMRB 'edit assembly name' 15718 1 . . 2008-06-30 2008-04-07 original author 'original release' 15718 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K2O 'BMRB Entry Tracking System' 15718 stop_ save_ ############### # Citations # ############### save_Entry_Citation _Citation.Sf_category citations _Citation.Sf_framecode Entry_Citation _Citation.Entry_ID 15718 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18495154 _Citation.Full_citation . _Citation.Title 'Solution structure of the inner DysF domain of myoferlin and implications for limb girdle muscular dystrophy type 2b' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 379 _Citation.Journal_issue 5 _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 981 _Citation.Page_last 990 _Citation.Year 2008 _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 Pryank Patel . . . 15718 1 2 Richard Harris . . . 15718 1 3 Stella Geddes . M. . 15718 1 4 Eugen-Matthias Strehle . . . 15718 1 5 James Watson . D. . 15718 1 6 Rumaisa Bashir . . . 15718 1 7 Katherine Bushby . . . 15718 1 8 Paul Driscoll . C. . 15718 1 9 Nicholas Keep . H. . 15718 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15718 _Assembly.ID 1 _Assembly.Name myoferlin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 DysF 1 $DysF A . yes native no no . . . 15718 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DysF _Entity.Sf_category entity _Entity.Sf_framecode DysF _Entity.Entry_ID 15718 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DysF _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 ; IDPFTADAGHTEFTDEVYQN ESRYPGGDWKPAEDTYTDAN GDKAASPSELTCPPGWEWED DAWSYDINRAVDEKGWEYGI TIPPDHKPKSWVAAEKMYHT HRRRRLVRKRKKDLTQTASS TAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent part of a non-native affinity tag.' _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'The inner DysF domain of Human Myoferlin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14195.573 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K2O . "Solution Structure Of The Inner Dysf Domain Of Human Myoferlin" . . . . . 100.00 123 100.00 100.00 5.18e-84 . . . . 15718 1 2 no DBJ BAA86521 . "KIAA1207 protein [Homo sapiens]" . . . . . 95.93 2061 100.00 100.00 6.36e-74 . . . . 15718 1 3 no DBJ BAG10438 . "myoferlin [synthetic construct]" . . . . . 95.93 2061 100.00 100.00 6.36e-74 . . . . 15718 1 4 no EMBL CAB46370 . "hypothetical protein [Homo sapiens]" . . . . . 95.93 1430 100.00 100.00 6.65e-74 . . . . 15718 1 5 no GB AAF27176 . "myoferlin [Homo sapiens]" . . . . . 95.93 2061 100.00 100.00 6.36e-74 . . . . 15718 1 6 no GB AAF27177 . "myoferlin [Homo sapiens]" . . . . . 95.93 2018 100.00 100.00 5.03e-74 . . . . 15718 1 7 no GB AAG23737 . "fer-1 like protein 3 [Homo sapiens]" . . . . . 95.93 2048 100.00 100.00 6.88e-74 . . . . 15718 1 8 no GB AAH52617 . "MYOF protein [Homo sapiens]" . . . . . 95.93 1577 100.00 100.00 4.67e-74 . . . . 15718 1 9 no GB AIC59956 . "MYOF, partial [synthetic construct]" . . . . . 95.93 1577 100.00 100.00 4.67e-74 . . . . 15718 1 10 no REF NP_038479 . "myoferlin isoform a [Homo sapiens]" . . . . . 95.93 2061 100.00 100.00 6.36e-74 . . . . 15718 1 11 no REF NP_579899 . "myoferlin isoform b [Homo sapiens]" . . . . . 95.93 2048 100.00 100.00 6.43e-74 . . . . 15718 1 12 no REF XP_001089235 . "PREDICTED: myoferlin [Macaca mulatta]" . . . . . 95.93 2175 100.00 100.00 1.06e-73 . . . . 15718 1 13 no REF XP_002756458 . "PREDICTED: myoferlin isoform X4 [Callithrix jacchus]" . . . . . 95.93 2048 97.46 100.00 9.91e-73 . . . . 15718 1 14 no REF XP_003255276 . "PREDICTED: myoferlin isoform X1 [Nomascus leucogenys]" . . . . . 95.93 2061 100.00 100.00 7.01e-74 . . . . 15718 1 15 no SP Q9NZM1 . "RecName: Full=Myoferlin; AltName: Full=Fer-1-like protein 3" . . . . . 95.93 2061 100.00 100.00 6.36e-74 . . . . 15718 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 9 ILE . 15718 1 2 10 ASP . 15718 1 3 11 PRO . 15718 1 4 12 PHE . 15718 1 5 13 THR . 15718 1 6 14 ALA . 15718 1 7 15 ASP . 15718 1 8 16 ALA . 15718 1 9 17 GLY . 15718 1 10 18 HIS . 15718 1 11 19 THR . 15718 1 12 20 GLU . 15718 1 13 21 PHE . 15718 1 14 22 THR . 15718 1 15 23 ASP . 15718 1 16 24 GLU . 15718 1 17 25 VAL . 15718 1 18 26 TYR . 15718 1 19 27 GLN . 15718 1 20 28 ASN . 15718 1 21 29 GLU . 15718 1 22 30 SER . 15718 1 23 31 ARG . 15718 1 24 32 TYR . 15718 1 25 33 PRO . 15718 1 26 34 GLY . 15718 1 27 35 GLY . 15718 1 28 36 ASP . 15718 1 29 37 TRP . 15718 1 30 38 LYS . 15718 1 31 39 PRO . 15718 1 32 40 ALA . 15718 1 33 41 GLU . 15718 1 34 42 ASP . 15718 1 35 43 THR . 15718 1 36 44 TYR . 15718 1 37 45 THR . 15718 1 38 46 ASP . 15718 1 39 47 ALA . 15718 1 40 48 ASN . 15718 1 41 49 GLY . 15718 1 42 50 ASP . 15718 1 43 51 LYS . 15718 1 44 52 ALA . 15718 1 45 53 ALA . 15718 1 46 54 SER . 15718 1 47 55 PRO . 15718 1 48 56 SER . 15718 1 49 57 GLU . 15718 1 50 58 LEU . 15718 1 51 59 THR . 15718 1 52 60 CYS . 15718 1 53 61 PRO . 15718 1 54 62 PRO . 15718 1 55 63 GLY . 15718 1 56 64 TRP . 15718 1 57 65 GLU . 15718 1 58 66 TRP . 15718 1 59 67 GLU . 15718 1 60 68 ASP . 15718 1 61 69 ASP . 15718 1 62 70 ALA . 15718 1 63 71 TRP . 15718 1 64 72 SER . 15718 1 65 73 TYR . 15718 1 66 74 ASP . 15718 1 67 75 ILE . 15718 1 68 76 ASN . 15718 1 69 77 ARG . 15718 1 70 78 ALA . 15718 1 71 79 VAL . 15718 1 72 80 ASP . 15718 1 73 81 GLU . 15718 1 74 82 LYS . 15718 1 75 83 GLY . 15718 1 76 84 TRP . 15718 1 77 85 GLU . 15718 1 78 86 TYR . 15718 1 79 87 GLY . 15718 1 80 88 ILE . 15718 1 81 89 THR . 15718 1 82 90 ILE . 15718 1 83 91 PRO . 15718 1 84 92 PRO . 15718 1 85 93 ASP . 15718 1 86 94 HIS . 15718 1 87 95 LYS . 15718 1 88 96 PRO . 15718 1 89 97 LYS . 15718 1 90 98 SER . 15718 1 91 99 TRP . 15718 1 92 100 VAL . 15718 1 93 101 ALA . 15718 1 94 102 ALA . 15718 1 95 103 GLU . 15718 1 96 104 LYS . 15718 1 97 105 MET . 15718 1 98 106 TYR . 15718 1 99 107 HIS . 15718 1 100 108 THR . 15718 1 101 109 HIS . 15718 1 102 110 ARG . 15718 1 103 111 ARG . 15718 1 104 112 ARG . 15718 1 105 113 ARG . 15718 1 106 114 LEU . 15718 1 107 115 VAL . 15718 1 108 116 ARG . 15718 1 109 117 LYS . 15718 1 110 118 ARG . 15718 1 111 119 LYS . 15718 1 112 120 LYS . 15718 1 113 121 ASP . 15718 1 114 122 LEU . 15718 1 115 123 THR . 15718 1 116 124 GLN . 15718 1 117 125 THR . 15718 1 118 126 ALA . 15718 1 119 127 SER . 15718 1 120 128 SER . 15718 1 121 129 THR . 15718 1 122 130 ALA . 15718 1 123 131 ARG . 15718 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 . ILE 1 1 15718 1 . ASP 2 2 15718 1 . PRO 3 3 15718 1 . PHE 4 4 15718 1 . THR 5 5 15718 1 . ALA 6 6 15718 1 . ASP 7 7 15718 1 . ALA 8 8 15718 1 . GLY 9 9 15718 1 . HIS 10 10 15718 1 . THR 11 11 15718 1 . GLU 12 12 15718 1 . PHE 13 13 15718 1 . THR 14 14 15718 1 . ASP 15 15 15718 1 . GLU 16 16 15718 1 . VAL 17 17 15718 1 . TYR 18 18 15718 1 . GLN 19 19 15718 1 . ASN 20 20 15718 1 . GLU 21 21 15718 1 . SER 22 22 15718 1 . ARG 23 23 15718 1 . TYR 24 24 15718 1 . PRO 25 25 15718 1 . GLY 26 26 15718 1 . GLY 27 27 15718 1 . ASP 28 28 15718 1 . TRP 29 29 15718 1 . LYS 30 30 15718 1 . PRO 31 31 15718 1 . ALA 32 32 15718 1 . GLU 33 33 15718 1 . ASP 34 34 15718 1 . THR 35 35 15718 1 . TYR 36 36 15718 1 . THR 37 37 15718 1 . ASP 38 38 15718 1 . ALA 39 39 15718 1 . ASN 40 40 15718 1 . GLY 41 41 15718 1 . ASP 42 42 15718 1 . LYS 43 43 15718 1 . ALA 44 44 15718 1 . ALA 45 45 15718 1 . SER 46 46 15718 1 . PRO 47 47 15718 1 . SER 48 48 15718 1 . GLU 49 49 15718 1 . LEU 50 50 15718 1 . THR 51 51 15718 1 . CYS 52 52 15718 1 . PRO 53 53 15718 1 . PRO 54 54 15718 1 . GLY 55 55 15718 1 . TRP 56 56 15718 1 . GLU 57 57 15718 1 . TRP 58 58 15718 1 . GLU 59 59 15718 1 . ASP 60 60 15718 1 . ASP 61 61 15718 1 . ALA 62 62 15718 1 . TRP 63 63 15718 1 . SER 64 64 15718 1 . TYR 65 65 15718 1 . ASP 66 66 15718 1 . ILE 67 67 15718 1 . ASN 68 68 15718 1 . ARG 69 69 15718 1 . ALA 70 70 15718 1 . VAL 71 71 15718 1 . ASP 72 72 15718 1 . GLU 73 73 15718 1 . LYS 74 74 15718 1 . GLY 75 75 15718 1 . TRP 76 76 15718 1 . GLU 77 77 15718 1 . TYR 78 78 15718 1 . GLY 79 79 15718 1 . ILE 80 80 15718 1 . THR 81 81 15718 1 . ILE 82 82 15718 1 . PRO 83 83 15718 1 . PRO 84 84 15718 1 . ASP 85 85 15718 1 . HIS 86 86 15718 1 . LYS 87 87 15718 1 . PRO 88 88 15718 1 . LYS 89 89 15718 1 . SER 90 90 15718 1 . TRP 91 91 15718 1 . VAL 92 92 15718 1 . ALA 93 93 15718 1 . ALA 94 94 15718 1 . GLU 95 95 15718 1 . LYS 96 96 15718 1 . MET 97 97 15718 1 . TYR 98 98 15718 1 . HIS 99 99 15718 1 . THR 100 100 15718 1 . HIS 101 101 15718 1 . ARG 102 102 15718 1 . ARG 103 103 15718 1 . ARG 104 104 15718 1 . ARG 105 105 15718 1 . LEU 106 106 15718 1 . VAL 107 107 15718 1 . ARG 108 108 15718 1 . LYS 109 109 15718 1 . ARG 110 110 15718 1 . LYS 111 111 15718 1 . LYS 112 112 15718 1 . ASP 113 113 15718 1 . LEU 114 114 15718 1 . THR 115 115 15718 1 . GLN 116 116 15718 1 . THR 117 117 15718 1 . ALA 118 118 15718 1 . SER 119 119 15718 1 . SER 120 120 15718 1 . THR 121 121 15718 1 . ALA 122 122 15718 1 . ARG 123 123 15718 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15718 _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 $DysF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . myoferlin . . . . 15718 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 15718 _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 $DysF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . 'pET-151D TOPO' . . . . . . 15718 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_DysF _Sample.Sf_category sample _Sample.Sf_framecode 15N_DysF _Sample.Entry_ID 15718 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-labelled DysF domain in 20mM MES, 100mM NaCl, pH 6.5' _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 DysF '[U-100% 15N]' . . 1 $DysF . . 1.3 . . mM . . . . 15718 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15718 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15718 1 4 D2O . . . . . . . 10 . . % . . . . 15718 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15718 1 stop_ save_ save_15N_13C_DysF _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_DysF _Sample.Entry_ID 15718 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C-labelled DysF domain in 20 mM MES, 100 mM NaCl, pH 6.5' _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 DysF '[U-100% 13C; U-100% 15N]' . . 1 $DysF . . 1.3 . . mM . . . . 15718 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15718 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15718 2 4 D2O . . . . . . . 10 . . % . . . . 15718 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15718 2 stop_ save_ save_15N_13C_DysF_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_DysF_in_D2O _Sample.Entry_ID 15718 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C DysF in 20 mM MES, 100 mM NaCl, pH 6.5, in ~100% D2O' _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 DysF '[U-100% 13C; U-100% 15N]' . . 1 $DysF . . 1.3 . . mM . . . . 15718 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15718 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15718 3 4 D2O . . . . . . . 100 . . % . . . . 15718 3 stop_ save_ ####################### # Sample conditions # ####################### save_Standard_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard_Conditions _Sample_condition_list.Entry_ID 15718 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM MES, 100 mM NaCl, pH 6.5' 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 'ionic strength' 100 . mM 15718 1 pH 6.5 . pH 15718 1 pressure 1 . atm 15718 1 temperature 298 . K 15718 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 15718 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15718 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15718 1 'data analysis' 15718 1 'peak picking' 15718 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15718 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15718 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Protein Dihedral Angle Backbone Prediction' 15718 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15718 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15718 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15718 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 15718 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15718 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15718 4 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 15718 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15718 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15718 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15718 _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 Varian UnityPlus . 500 . . . 15718 1 2 spectrometer_2 Varian INOVA . 600 . . . 15718 1 3 spectrometer_3 Varian INOVA . 800 . . . 15718 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 15718 _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 $15N_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $15N_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 6 '3D HNCA' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 8 '3D HNCACB' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 10 '3D HNCO' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 11 '3D HN(CA)CO' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 12 '3D HA(CA)NH' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 13 '3D HA(CACO)NH' no . . . . . . . . . . 2 $15N_13C_DysF isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 15 aro-HSQC no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 16 aro-TOCSY-HSQC no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 17 aro-NOESY-HSQC no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15718 1 19 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $15N_13C_DysF_in_D2O isotropic . . 1 $Standard_Conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15718 1 20 IPAP no . . . . . . . . . . 1 $15N_DysF isotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 1 21 IPAP no . . . . . . . . . . 1 $15N_DysF anisotropic . . 1 $Standard_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15718 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 15718 _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 external indirect 0.251449530 . . . . . . . . . 15718 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15718 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15718 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Chemical_Shift_List _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_Shift_List _Assigned_chem_shift_list.Entry_ID 15718 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 15718 1 4 '3D 1H-15N NOESY' . . . 15718 1 5 '3D 1H-15N TOCSY' . . . 15718 1 10 '3D HNCO' . . . 15718 1 11 '3D HN(CA)CO' . . . 15718 1 14 '2D 1H-13C HSQC' . . . 15718 1 18 '3D HCCH-TOCSY' . . . 15718 1 19 '3D 1H-13C NOESY' . . . 15718 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN_Analysis . . 15718 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ILE HA H 1 4.180 0.006 . 1 . . . . 9 ILE HA . 15718 1 2 . 1 1 1 1 ILE HB H 1 1.800 0.006 . 1 . . . . 9 ILE HB . 15718 1 3 . 1 1 1 1 ILE HD11 H 1 0.834 0.004 . 1 . . . . 9 ILE HD11 . 15718 1 4 . 1 1 1 1 ILE HD12 H 1 0.834 0.004 . 1 . . . . 9 ILE HD12 . 15718 1 5 . 1 1 1 1 ILE HD13 H 1 0.834 0.004 . 1 . . . . 9 ILE HD13 . 15718 1 6 . 1 1 1 1 ILE HG12 H 1 1.144 0.003 . 2 . . . . 9 ILE HG12 . 15718 1 7 . 1 1 1 1 ILE HG13 H 1 1.415 0.003 . 2 . . . . 9 ILE HG13 . 15718 1 8 . 1 1 1 1 ILE HG21 H 1 0.866 0.011 . 1 . . . . 9 ILE HG21 . 15718 1 9 . 1 1 1 1 ILE HG22 H 1 0.866 0.011 . 1 . . . . 9 ILE HG22 . 15718 1 10 . 1 1 1 1 ILE HG23 H 1 0.866 0.011 . 1 . . . . 9 ILE HG23 . 15718 1 11 . 1 1 1 1 ILE C C 13 175.807 0.010 . 1 . . . . 9 ILE C . 15718 1 12 . 1 1 1 1 ILE CA C 13 61.169 0.011 . 1 . . . . 9 ILE CA . 15718 1 13 . 1 1 1 1 ILE CB C 13 39.090 0.014 . 1 . . . . 9 ILE CB . 15718 1 14 . 1 1 1 1 ILE CD1 C 13 13.144 0.4 . 1 . . . . 9 ILE CD1 . 15718 1 15 . 1 1 1 1 ILE CG1 C 13 27.388 0.4 . 1 . . . . 9 ILE CG1 . 15718 1 16 . 1 1 1 1 ILE CG2 C 13 17.672 0.4 . 1 . . . . 9 ILE CG2 . 15718 1 17 . 1 1 2 2 ASP H H 1 8.405 0.006 . 1 . . . . 10 ASP H . 15718 1 18 . 1 1 2 2 ASP HA H 1 4.860 0.003 . 1 . . . . 10 ASP HA . 15718 1 19 . 1 1 2 2 ASP HB2 H 1 2.537 0.006 . 2 . . . . 10 ASP HB2 . 15718 1 20 . 1 1 2 2 ASP HB3 H 1 2.736 0.006 . 2 . . . . 10 ASP HB3 . 15718 1 21 . 1 1 2 2 ASP C C 13 174.884 0.4 . 1 . . . . 10 ASP C . 15718 1 22 . 1 1 2 2 ASP CA C 13 52.250 0.001 . 1 . . . . 10 ASP CA . 15718 1 23 . 1 1 2 2 ASP CB C 13 41.580 0.059 . 1 . . . . 10 ASP CB . 15718 1 24 . 1 1 2 2 ASP N N 15 126.335 0.031 . 1 . . . . 10 ASP N . 15718 1 25 . 1 1 3 3 PRO HA H 1 4.316 0.006 . 1 . . . . 11 PRO HA . 15718 1 26 . 1 1 3 3 PRO HB2 H 1 1.632 0.017 . 2 . . . . 11 PRO HB2 . 15718 1 27 . 1 1 3 3 PRO HB3 H 1 2.141 0.005 . 2 . . . . 11 PRO HB3 . 15718 1 28 . 1 1 3 3 PRO HD2 H 1 3.730 0.006 . 2 . . . . 11 PRO HD2 . 15718 1 29 . 1 1 3 3 PRO HD3 H 1 3.854 0.005 . 2 . . . . 11 PRO HD3 . 15718 1 30 . 1 1 3 3 PRO HG2 H 1 1.729 0.010 . 2 . . . . 11 PRO HG2 . 15718 1 31 . 1 1 3 3 PRO HG3 H 1 1.895 0.006 . 2 . . . . 11 PRO HG3 . 15718 1 32 . 1 1 3 3 PRO C C 13 176.990 0.002 . 1 . . . . 11 PRO C . 15718 1 33 . 1 1 3 3 PRO CA C 13 63.634 0.036 . 1 . . . . 11 PRO CA . 15718 1 34 . 1 1 3 3 PRO CB C 13 32.132 0.032 . 1 . . . . 11 PRO CB . 15718 1 35 . 1 1 3 3 PRO CD C 13 50.945 0.005 . 1 . . . . 11 PRO CD . 15718 1 36 . 1 1 3 3 PRO CG C 13 27.078 0.012 . 1 . . . . 11 PRO CG . 15718 1 37 . 1 1 4 4 PHE H H 1 8.226 0.015 . 1 . . . . 12 PHE H . 15718 1 38 . 1 1 4 4 PHE HA H 1 4.603 0.010 . 1 . . . . 12 PHE HA . 15718 1 39 . 1 1 4 4 PHE HB2 H 1 3.078 0.009 . 2 . . . . 12 PHE HB2 . 15718 1 40 . 1 1 4 4 PHE HB3 H 1 3.166 0.008 . 2 . . . . 12 PHE HB3 . 15718 1 41 . 1 1 4 4 PHE HD1 H 1 7.268 0.016 . 3 . . . . 12 PHE HD1 . 15718 1 42 . 1 1 4 4 PHE HD2 H 1 7.268 0.016 . 3 . . . . 12 PHE HD2 . 15718 1 43 . 1 1 4 4 PHE HE1 H 1 7.313 0.003 . 3 . . . . 12 PHE HE1 . 15718 1 44 . 1 1 4 4 PHE HE2 H 1 7.313 0.003 . 3 . . . . 12 PHE HE2 . 15718 1 45 . 1 1 4 4 PHE C C 13 176.229 0.004 . 1 . . . . 12 PHE C . 15718 1 46 . 1 1 4 4 PHE CA C 13 58.168 0.049 . 1 . . . . 12 PHE CA . 15718 1 47 . 1 1 4 4 PHE CB C 13 39.136 0.026 . 1 . . . . 12 PHE CB . 15718 1 48 . 1 1 4 4 PHE CD1 C 13 131.831 0.109 . 3 . . . . 12 PHE CD1 . 15718 1 49 . 1 1 4 4 PHE CD2 C 13 131.831 0.109 . 3 . . . . 12 PHE CD2 . 15718 1 50 . 1 1 4 4 PHE CE1 C 13 131.469 0.003 . 3 . . . . 12 PHE CE1 . 15718 1 51 . 1 1 4 4 PHE CE2 C 13 131.469 0.003 . 3 . . . . 12 PHE CE2 . 15718 1 52 . 1 1 4 4 PHE N N 15 119.092 0.132 . 1 . . . . 12 PHE N . 15718 1 53 . 1 1 5 5 THR H H 1 7.755 0.012 . 1 . . . . 13 THR H . 15718 1 54 . 1 1 5 5 THR HA H 1 4.263 0.005 . 1 . . . . 13 THR HA . 15718 1 55 . 1 1 5 5 THR HB H 1 4.170 0.008 . 1 . . . . 13 THR HB . 15718 1 56 . 1 1 5 5 THR HG21 H 1 1.166 0.008 . 1 . . . . 13 THR HG21 . 15718 1 57 . 1 1 5 5 THR HG22 H 1 1.166 0.008 . 1 . . . . 13 THR HG22 . 15718 1 58 . 1 1 5 5 THR HG23 H 1 1.166 0.008 . 1 . . . . 13 THR HG23 . 15718 1 59 . 1 1 5 5 THR C C 13 174.315 0.011 . 1 . . . . 13 THR C . 15718 1 60 . 1 1 5 5 THR CA C 13 61.909 0.096 . 1 . . . . 13 THR CA . 15718 1 61 . 1 1 5 5 THR CB C 13 69.945 0.089 . 1 . . . . 13 THR CB . 15718 1 62 . 1 1 5 5 THR CG2 C 13 21.679 0.010 . 1 . . . . 13 THR CG2 . 15718 1 63 . 1 1 5 5 THR N N 15 115.191 0.132 . 1 . . . . 13 THR N . 15718 1 64 . 1 1 6 6 ALA H H 1 8.153 0.015 . 1 . . . . 14 ALA H . 15718 1 65 . 1 1 6 6 ALA HA H 1 4.220 0.008 . 1 . . . . 14 ALA HA . 15718 1 66 . 1 1 6 6 ALA HB1 H 1 1.363 0.012 . 1 . . . . 14 ALA HB1 . 15718 1 67 . 1 1 6 6 ALA HB2 H 1 1.363 0.012 . 1 . . . . 14 ALA HB2 . 15718 1 68 . 1 1 6 6 ALA HB3 H 1 1.363 0.012 . 1 . . . . 14 ALA HB3 . 15718 1 69 . 1 1 6 6 ALA C C 13 177.468 0.005 . 1 . . . . 14 ALA C . 15718 1 70 . 1 1 6 6 ALA CA C 13 53.035 0.043 . 1 . . . . 14 ALA CA . 15718 1 71 . 1 1 6 6 ALA CB C 13 19.252 0.073 . 1 . . . . 14 ALA CB . 15718 1 72 . 1 1 6 6 ALA N N 15 126.537 0.144 . 1 . . . . 14 ALA N . 15718 1 73 . 1 1 7 7 ASP H H 1 8.128 0.021 . 1 . . . . 15 ASP H . 15718 1 74 . 1 1 7 7 ASP HA H 1 4.442 0.006 . 1 . . . . 15 ASP HA . 15718 1 75 . 1 1 7 7 ASP HB2 H 1 2.464 0.023 . 2 . . . . 15 ASP HB2 . 15718 1 76 . 1 1 7 7 ASP HB3 H 1 2.575 0.012 . 2 . . . . 15 ASP HB3 . 15718 1 77 . 1 1 7 7 ASP C C 13 176.308 0.022 . 1 . . . . 15 ASP C . 15718 1 78 . 1 1 7 7 ASP CA C 13 54.275 0.058 . 1 . . . . 15 ASP CA . 15718 1 79 . 1 1 7 7 ASP CB C 13 41.204 0.011 . 1 . . . . 15 ASP CB . 15718 1 80 . 1 1 7 7 ASP N N 15 119.016 0.152 . 1 . . . . 15 ASP N . 15718 1 81 . 1 1 8 8 ALA H H 1 8.084 0.018 . 1 . . . . 16 ALA H . 15718 1 82 . 1 1 8 8 ALA HA H 1 4.228 0.006 . 1 . . . . 16 ALA HA . 15718 1 83 . 1 1 8 8 ALA HB1 H 1 1.359 0.010 . 1 . . . . 16 ALA HB1 . 15718 1 84 . 1 1 8 8 ALA HB2 H 1 1.359 0.010 . 1 . . . . 16 ALA HB2 . 15718 1 85 . 1 1 8 8 ALA HB3 H 1 1.359 0.010 . 1 . . . . 16 ALA HB3 . 15718 1 86 . 1 1 8 8 ALA C C 13 178.507 0.020 . 1 . . . . 16 ALA C . 15718 1 87 . 1 1 8 8 ALA CA C 13 53.183 0.062 . 1 . . . . 16 ALA CA . 15718 1 88 . 1 1 8 8 ALA CB C 13 19.181 0.086 . 1 . . . . 16 ALA CB . 15718 1 89 . 1 1 8 8 ALA N N 15 124.593 0.130 . 1 . . . . 16 ALA N . 15718 1 90 . 1 1 9 9 GLY H H 1 8.416 0.020 . 1 . . . . 17 GLY H . 15718 1 91 . 1 1 9 9 GLY HA2 H 1 3.891 0.005 . 2 . . . . 17 GLY HA2 . 15718 1 92 . 1 1 9 9 GLY HA3 H 1 3.896 0.006 . 2 . . . . 17 GLY HA3 . 15718 1 93 . 1 1 9 9 GLY C C 13 174.123 0.015 . 1 . . . . 17 GLY C . 15718 1 94 . 1 1 9 9 GLY CA C 13 45.532 0.052 . 1 . . . . 17 GLY CA . 15718 1 95 . 1 1 9 9 GLY N N 15 107.549 0.168 . 1 . . . . 17 GLY N . 15718 1 96 . 1 1 10 10 HIS H H 1 8.049 0.013 . 1 . . . . 18 HIS H . 15718 1 97 . 1 1 10 10 HIS HA H 1 4.950 0.015 . 1 . . . . 18 HIS HA . 15718 1 98 . 1 1 10 10 HIS HB2 H 1 3.225 0.006 . 2 . . . . 18 HIS HB2 . 15718 1 99 . 1 1 10 10 HIS HB3 H 1 3.420 0.010 . 2 . . . . 18 HIS HB3 . 15718 1 100 . 1 1 10 10 HIS HD2 H 1 7.220 0.007 . 1 . . . . 18 HIS HD2 . 15718 1 101 . 1 1 10 10 HIS HE1 H 1 8.366 0.000 . 1 . . . . 18 HIS HE1 . 15718 1 102 . 1 1 10 10 HIS C C 13 175.212 0.4 . 1 . . . . 18 HIS C . 15718 1 103 . 1 1 10 10 HIS CA C 13 55.900 0.038 . 1 . . . . 18 HIS CA . 15718 1 104 . 1 1 10 10 HIS CB C 13 30.671 0.073 . 1 . . . . 18 HIS CB . 15718 1 105 . 1 1 10 10 HIS CD2 C 13 119.975 0.006 . 1 . . . . 18 HIS CD2 . 15718 1 106 . 1 1 10 10 HIS CE1 C 13 137.170 0.002 . 1 . . . . 18 HIS CE1 . 15718 1 107 . 1 1 10 10 HIS N N 15 118.299 0.082 . 1 . . . . 18 HIS N . 15718 1 108 . 1 1 11 11 THR H H 1 8.571 0.008 . 1 . . . . 19 THR H . 15718 1 109 . 1 1 11 11 THR HA H 1 4.283 0.011 . 1 . . . . 19 THR HA . 15718 1 110 . 1 1 11 11 THR HB H 1 4.179 0.013 . 1 . . . . 19 THR HB . 15718 1 111 . 1 1 11 11 THR HG21 H 1 1.152 0.011 . 1 . . . . 19 THR HG21 . 15718 1 112 . 1 1 11 11 THR HG22 H 1 1.152 0.011 . 1 . . . . 19 THR HG22 . 15718 1 113 . 1 1 11 11 THR HG23 H 1 1.152 0.011 . 1 . . . . 19 THR HG23 . 15718 1 114 . 1 1 11 11 THR C C 13 173.194 0.4 . 1 . . . . 19 THR C . 15718 1 115 . 1 1 11 11 THR CA C 13 62.045 0.131 . 1 . . . . 19 THR CA . 15718 1 116 . 1 1 11 11 THR CB C 13 70.010 0.008 . 1 . . . . 19 THR CB . 15718 1 117 . 1 1 11 11 THR CG2 C 13 21.729 0.033 . 1 . . . . 19 THR CG2 . 15718 1 118 . 1 1 11 11 THR N N 15 113.438 0.025 . 1 . . . . 19 THR N . 15718 1 119 . 1 1 12 12 GLU H H 1 8.156 0.009 . 1 . . . . 20 GLU H . 15718 1 120 . 1 1 12 12 GLU HA H 1 5.524 0.015 . 1 . . . . 20 GLU HA . 15718 1 121 . 1 1 12 12 GLU HB2 H 1 2.018 0.018 . 2 . . . . 20 GLU HB2 . 15718 1 122 . 1 1 12 12 GLU HB3 H 1 2.078 0.005 . 2 . . . . 20 GLU HB3 . 15718 1 123 . 1 1 12 12 GLU HG2 H 1 2.260 0.010 . 2 . . . . 20 GLU HG2 . 15718 1 124 . 1 1 12 12 GLU HG3 H 1 2.266 0.009 . 2 . . . . 20 GLU HG3 . 15718 1 125 . 1 1 12 12 GLU C C 13 174.803 0.010 . 1 . . . . 20 GLU C . 15718 1 126 . 1 1 12 12 GLU CA C 13 55.288 0.043 . 1 . . . . 20 GLU CA . 15718 1 127 . 1 1 12 12 GLU CB C 13 34.141 0.028 . 1 . . . . 20 GLU CB . 15718 1 128 . 1 1 12 12 GLU CG C 13 36.371 0.017 . 1 . . . . 20 GLU CG . 15718 1 129 . 1 1 12 12 GLU N N 15 121.398 0.066 . 1 . . . . 20 GLU N . 15718 1 130 . 1 1 13 13 PHE H H 1 9.059 0.009 . 1 . . . . 21 PHE H . 15718 1 131 . 1 1 13 13 PHE HA H 1 4.514 0.010 . 1 . . . . 21 PHE HA . 15718 1 132 . 1 1 13 13 PHE HB2 H 1 2.293 0.014 . 2 . . . . 21 PHE HB2 . 15718 1 133 . 1 1 13 13 PHE HB3 H 1 2.852 0.008 . 2 . . . . 21 PHE HB3 . 15718 1 134 . 1 1 13 13 PHE HD1 H 1 6.909 0.020 . 3 . . . . 21 PHE HD1 . 15718 1 135 . 1 1 13 13 PHE HD2 H 1 6.909 0.020 . 3 . . . . 21 PHE HD2 . 15718 1 136 . 1 1 13 13 PHE HE1 H 1 7.264 0.009 . 3 . . . . 21 PHE HE1 . 15718 1 137 . 1 1 13 13 PHE HE2 H 1 7.264 0.009 . 3 . . . . 21 PHE HE2 . 15718 1 138 . 1 1 13 13 PHE C C 13 173.140 0.007 . 1 . . . . 21 PHE C . 15718 1 139 . 1 1 13 13 PHE CA C 13 58.844 0.069 . 1 . . . . 21 PHE CA . 15718 1 140 . 1 1 13 13 PHE CB C 13 44.498 0.030 . 1 . . . . 21 PHE CB . 15718 1 141 . 1 1 13 13 PHE CD1 C 13 131.906 0.026 . 3 . . . . 21 PHE CD1 . 15718 1 142 . 1 1 13 13 PHE CD2 C 13 131.906 0.026 . 3 . . . . 21 PHE CD2 . 15718 1 143 . 1 1 13 13 PHE CE1 C 13 131.915 0.005 . 3 . . . . 21 PHE CE1 . 15718 1 144 . 1 1 13 13 PHE CE2 C 13 131.915 0.005 . 3 . . . . 21 PHE CE2 . 15718 1 145 . 1 1 13 13 PHE N N 15 123.347 0.060 . 1 . . . . 21 PHE N . 15718 1 146 . 1 1 14 14 THR H H 1 7.565 0.014 . 1 . . . . 22 THR H . 15718 1 147 . 1 1 14 14 THR HA H 1 4.494 0.009 . 1 . . . . 22 THR HA . 15718 1 148 . 1 1 14 14 THR HB H 1 3.682 0.008 . 1 . . . . 22 THR HB . 15718 1 149 . 1 1 14 14 THR HG21 H 1 0.960 0.010 . 1 . . . . 22 THR HG21 . 15718 1 150 . 1 1 14 14 THR HG22 H 1 0.960 0.010 . 1 . . . . 22 THR HG22 . 15718 1 151 . 1 1 14 14 THR HG23 H 1 0.960 0.010 . 1 . . . . 22 THR HG23 . 15718 1 152 . 1 1 14 14 THR C C 13 172.932 0.027 . 1 . . . . 22 THR C . 15718 1 153 . 1 1 14 14 THR CA C 13 62.303 0.031 . 1 . . . . 22 THR CA . 15718 1 154 . 1 1 14 14 THR CB C 13 69.449 0.080 . 1 . . . . 22 THR CB . 15718 1 155 . 1 1 14 14 THR CG2 C 13 21.801 0.017 . 1 . . . . 22 THR CG2 . 15718 1 156 . 1 1 14 14 THR N N 15 123.455 0.153 . 1 . . . . 22 THR N . 15718 1 157 . 1 1 15 15 ASP H H 1 8.520 0.012 . 1 . . . . 23 ASP H . 15718 1 158 . 1 1 15 15 ASP HA H 1 4.956 0.006 . 1 . . . . 23 ASP HA . 15718 1 159 . 1 1 15 15 ASP HB2 H 1 2.761 0.012 . 2 . . . . 23 ASP HB2 . 15718 1 160 . 1 1 15 15 ASP HB3 H 1 2.925 0.011 . 2 . . . . 23 ASP HB3 . 15718 1 161 . 1 1 15 15 ASP C C 13 174.476 0.013 . 1 . . . . 23 ASP C . 15718 1 162 . 1 1 15 15 ASP CA C 13 54.942 0.047 . 1 . . . . 23 ASP CA . 15718 1 163 . 1 1 15 15 ASP CB C 13 43.855 0.013 . 1 . . . . 23 ASP CB . 15718 1 164 . 1 1 15 15 ASP N N 15 129.242 0.136 . 1 . . . . 23 ASP N . 15718 1 165 . 1 1 16 16 GLU H H 1 8.371 0.016 . 1 . . . . 24 GLU H . 15718 1 166 . 1 1 16 16 GLU HA H 1 6.242 0.012 . 1 . . . . 24 GLU HA . 15718 1 167 . 1 1 16 16 GLU HB2 H 1 1.655 0.009 . 2 . . . . 24 GLU HB2 . 15718 1 168 . 1 1 16 16 GLU HB3 H 1 1.847 0.007 . 2 . . . . 24 GLU HB3 . 15718 1 169 . 1 1 16 16 GLU HG2 H 1 2.091 0.009 . 2 . . . . 24 GLU HG2 . 15718 1 170 . 1 1 16 16 GLU HG3 H 1 2.572 0.015 . 2 . . . . 24 GLU HG3 . 15718 1 171 . 1 1 16 16 GLU C C 13 175.034 0.010 . 1 . . . . 24 GLU C . 15718 1 172 . 1 1 16 16 GLU CA C 13 53.251 0.032 . 1 . . . . 24 GLU CA . 15718 1 173 . 1 1 16 16 GLU CB C 13 34.369 0.075 . 1 . . . . 24 GLU CB . 15718 1 174 . 1 1 16 16 GLU CG C 13 34.476 0.028 . 1 . . . . 24 GLU CG . 15718 1 175 . 1 1 16 16 GLU N N 15 113.473 0.136 . 1 . . . . 24 GLU N . 15718 1 176 . 1 1 17 17 VAL H H 1 8.863 0.014 . 1 . . . . 25 VAL H . 15718 1 177 . 1 1 17 17 VAL HA H 1 4.281 0.007 . 1 . . . . 25 VAL HA . 15718 1 178 . 1 1 17 17 VAL HB H 1 1.884 0.011 . 1 . . . . 25 VAL HB . 15718 1 179 . 1 1 17 17 VAL HG11 H 1 0.279 0.007 . 2 . . . . 25 VAL HG11 . 15718 1 180 . 1 1 17 17 VAL HG12 H 1 0.279 0.007 . 2 . . . . 25 VAL HG12 . 15718 1 181 . 1 1 17 17 VAL HG13 H 1 0.279 0.007 . 2 . . . . 25 VAL HG13 . 15718 1 182 . 1 1 17 17 VAL HG21 H 1 0.903 0.008 . 2 . . . . 25 VAL HG21 . 15718 1 183 . 1 1 17 17 VAL HG22 H 1 0.903 0.008 . 2 . . . . 25 VAL HG22 . 15718 1 184 . 1 1 17 17 VAL HG23 H 1 0.903 0.008 . 2 . . . . 25 VAL HG23 . 15718 1 185 . 1 1 17 17 VAL C C 13 171.424 0.015 . 1 . . . . 25 VAL C . 15718 1 186 . 1 1 17 17 VAL CA C 13 61.917 0.075 . 1 . . . . 25 VAL CA . 15718 1 187 . 1 1 17 17 VAL CB C 13 34.837 0.015 . 1 . . . . 25 VAL CB . 15718 1 188 . 1 1 17 17 VAL CG1 C 13 20.340 0.010 . 2 . . . . 25 VAL CG1 . 15718 1 189 . 1 1 17 17 VAL CG2 C 13 22.304 0.007 . 2 . . . . 25 VAL CG2 . 15718 1 190 . 1 1 17 17 VAL N N 15 120.817 0.135 . 1 . . . . 25 VAL N . 15718 1 191 . 1 1 18 18 TYR H H 1 9.273 0.015 . 1 . . . . 26 TYR H . 15718 1 192 . 1 1 18 18 TYR HA H 1 5.240 0.015 . 1 . . . . 26 TYR HA . 15718 1 193 . 1 1 18 18 TYR HB2 H 1 2.083 0.012 . 2 . . . . 26 TYR HB2 . 15718 1 194 . 1 1 18 18 TYR HB3 H 1 2.830 0.011 . 2 . . . . 26 TYR HB3 . 15718 1 195 . 1 1 18 18 TYR HD1 H 1 6.460 0.014 . 3 . . . . 26 TYR HD1 . 15718 1 196 . 1 1 18 18 TYR HD2 H 1 6.460 0.014 . 3 . . . . 26 TYR HD2 . 15718 1 197 . 1 1 18 18 TYR HE1 H 1 6.454 0.009 . 3 . . . . 26 TYR HE1 . 15718 1 198 . 1 1 18 18 TYR HE2 H 1 6.454 0.009 . 3 . . . . 26 TYR HE2 . 15718 1 199 . 1 1 18 18 TYR C C 13 174.881 0.013 . 1 . . . . 26 TYR C . 15718 1 200 . 1 1 18 18 TYR CA C 13 57.270 0.032 . 1 . . . . 26 TYR CA . 15718 1 201 . 1 1 18 18 TYR CB C 13 39.012 0.016 . 1 . . . . 26 TYR CB . 15718 1 202 . 1 1 18 18 TYR CD1 C 13 131.825 0.042 . 3 . . . . 26 TYR CD1 . 15718 1 203 . 1 1 18 18 TYR CD2 C 13 131.825 0.042 . 3 . . . . 26 TYR CD2 . 15718 1 204 . 1 1 18 18 TYR CE1 C 13 117.252 0.004 . 3 . . . . 26 TYR CE1 . 15718 1 205 . 1 1 18 18 TYR CE2 C 13 117.252 0.004 . 3 . . . . 26 TYR CE2 . 15718 1 206 . 1 1 18 18 TYR N N 15 123.324 0.153 . 1 . . . . 26 TYR N . 15718 1 207 . 1 1 19 19 GLN H H 1 9.030 0.014 . 1 . . . . 27 GLN H . 15718 1 208 . 1 1 19 19 GLN HA H 1 4.643 0.007 . 1 . . . . 27 GLN HA . 15718 1 209 . 1 1 19 19 GLN HB2 H 1 1.763 0.010 . 2 . . . . 27 GLN HB2 . 15718 1 210 . 1 1 19 19 GLN HB3 H 1 1.941 0.015 . 2 . . . . 27 GLN HB3 . 15718 1 211 . 1 1 19 19 GLN HE21 H 1 7.090 0.003 . 1 . . . . 27 GLN HE21 . 15718 1 212 . 1 1 19 19 GLN HE22 H 1 7.506 0.003 . 1 . . . . 27 GLN HE22 . 15718 1 213 . 1 1 19 19 GLN HG2 H 1 2.082 0.013 . 2 . . . . 27 GLN HG2 . 15718 1 214 . 1 1 19 19 GLN HG3 H 1 2.084 0.013 . 2 . . . . 27 GLN HG3 . 15718 1 215 . 1 1 19 19 GLN C C 13 175.528 0.003 . 1 . . . . 27 GLN C . 15718 1 216 . 1 1 19 19 GLN CA C 13 54.451 0.028 . 1 . . . . 27 GLN CA . 15718 1 217 . 1 1 19 19 GLN CB C 13 31.734 0.043 . 1 . . . . 27 GLN CB . 15718 1 218 . 1 1 19 19 GLN CG C 13 34.048 0.004 . 1 . . . . 27 GLN CG . 15718 1 219 . 1 1 19 19 GLN N N 15 124.452 0.142 . 1 . . . . 27 GLN N . 15718 1 220 . 1 1 19 19 GLN NE2 N 15 111.950 0.088 . 1 . . . . 27 GLN NE2 . 15718 1 221 . 1 1 20 20 ASN H H 1 9.190 0.016 . 1 . . . . 28 ASN H . 15718 1 222 . 1 1 20 20 ASN HA H 1 5.688 0.011 . 1 . . . . 28 ASN HA . 15718 1 223 . 1 1 20 20 ASN HB2 H 1 2.487 0.007 . 2 . . . . 28 ASN HB2 . 15718 1 224 . 1 1 20 20 ASN HB3 H 1 2.990 0.015 . 2 . . . . 28 ASN HB3 . 15718 1 225 . 1 1 20 20 ASN HD21 H 1 6.704 0.005 . 1 . . . . 28 ASN HD21 . 15718 1 226 . 1 1 20 20 ASN HD22 H 1 6.704 0.005 . 1 . . . . 28 ASN HD22 . 15718 1 227 . 1 1 20 20 ASN C C 13 174.637 0.025 . 1 . . . . 28 ASN C . 15718 1 228 . 1 1 20 20 ASN CA C 13 53.782 0.025 . 1 . . . . 28 ASN CA . 15718 1 229 . 1 1 20 20 ASN CB C 13 43.554 0.032 . 1 . . . . 28 ASN CB . 15718 1 230 . 1 1 20 20 ASN N N 15 123.647 0.152 . 1 . . . . 28 ASN N . 15718 1 231 . 1 1 20 20 ASN ND2 N 15 116.951 0.1 . 1 . . . . 28 ASN ND2 . 15718 1 232 . 1 1 21 21 GLU H H 1 9.232 0.013 . 1 . . . . 29 GLU H . 15718 1 233 . 1 1 21 21 GLU HA H 1 5.012 0.008 . 1 . . . . 29 GLU HA . 15718 1 234 . 1 1 21 21 GLU HB2 H 1 1.027 0.005 . 2 . . . . 29 GLU HB2 . 15718 1 235 . 1 1 21 21 GLU HB3 H 1 1.871 0.008 . 2 . . . . 29 GLU HB3 . 15718 1 236 . 1 1 21 21 GLU HG2 H 1 1.874 0.011 . 2 . . . . 29 GLU HG2 . 15718 1 237 . 1 1 21 21 GLU HG3 H 1 1.980 0.006 . 2 . . . . 29 GLU HG3 . 15718 1 238 . 1 1 21 21 GLU C C 13 174.592 0.011 . 1 . . . . 29 GLU C . 15718 1 239 . 1 1 21 21 GLU CA C 13 55.132 0.015 . 1 . . . . 29 GLU CA . 15718 1 240 . 1 1 21 21 GLU CB C 13 35.655 0.002 . 1 . . . . 29 GLU CB . 15718 1 241 . 1 1 21 21 GLU CG C 13 37.025 0.036 . 1 . . . . 29 GLU CG . 15718 1 242 . 1 1 21 21 GLU N N 15 121.609 0.135 . 1 . . . . 29 GLU N . 15718 1 243 . 1 1 22 22 SER H H 1 9.490 0.013 . 1 . . . . 30 SER H . 15718 1 244 . 1 1 22 22 SER HA H 1 5.600 0.012 . 1 . . . . 30 SER HA . 15718 1 245 . 1 1 22 22 SER HB2 H 1 3.639 0.012 . 2 . . . . 30 SER HB2 . 15718 1 246 . 1 1 22 22 SER HB3 H 1 3.750 0.015 . 2 . . . . 30 SER HB3 . 15718 1 247 . 1 1 22 22 SER C C 13 172.551 0.029 . 1 . . . . 30 SER C . 15718 1 248 . 1 1 22 22 SER CA C 13 56.880 0.037 . 1 . . . . 30 SER CA . 15718 1 249 . 1 1 22 22 SER CB C 13 67.187 0.058 . 1 . . . . 30 SER CB . 15718 1 250 . 1 1 22 22 SER N N 15 114.765 0.144 . 1 . . . . 30 SER N . 15718 1 251 . 1 1 23 23 ARG H H 1 8.457 0.019 . 1 . . . . 31 ARG H . 15718 1 252 . 1 1 23 23 ARG HA H 1 4.504 0.007 . 1 . . . . 31 ARG HA . 15718 1 253 . 1 1 23 23 ARG HB2 H 1 0.715 0.011 . 2 . . . . 31 ARG HB2 . 15718 1 254 . 1 1 23 23 ARG HB3 H 1 0.816 0.013 . 2 . . . . 31 ARG HB3 . 15718 1 255 . 1 1 23 23 ARG HD2 H 1 0.307 0.014 . 2 . . . . 31 ARG HD2 . 15718 1 256 . 1 1 23 23 ARG HD3 H 1 2.064 0.007 . 2 . . . . 31 ARG HD3 . 15718 1 257 . 1 1 23 23 ARG HE H 1 6.011 0.005 . 1 . . . . 31 ARG HE . 15718 1 258 . 1 1 23 23 ARG HG2 H 1 0.077 0.005 . 2 . . . . 31 ARG HG2 . 15718 1 259 . 1 1 23 23 ARG HG3 H 1 0.335 0.010 . 2 . . . . 31 ARG HG3 . 15718 1 260 . 1 1 23 23 ARG C C 13 175.543 0.013 . 1 . . . . 31 ARG C . 15718 1 261 . 1 1 23 23 ARG CA C 13 54.853 0.023 . 1 . . . . 31 ARG CA . 15718 1 262 . 1 1 23 23 ARG CB C 13 33.087 0.008 . 1 . . . . 31 ARG CB . 15718 1 263 . 1 1 23 23 ARG CD C 13 45.181 7.383 . 1 . . . . 31 ARG CD . 15718 1 264 . 1 1 23 23 ARG CG C 13 24.468 0.004 . 1 . . . . 31 ARG CG . 15718 1 265 . 1 1 23 23 ARG N N 15 117.285 0.174 . 1 . . . . 31 ARG N . 15718 1 266 . 1 1 23 23 ARG NE N 15 85.623 0.1 . 1 . . . . 31 ARG NE . 15718 1 267 . 1 1 24 24 TYR H H 1 7.677 0.013 . 1 . . . . 32 TYR H . 15718 1 268 . 1 1 24 24 TYR HA H 1 4.859 0.009 . 1 . . . . 32 TYR HA . 15718 1 269 . 1 1 24 24 TYR HB2 H 1 2.796 0.011 . 2 . . . . 32 TYR HB2 . 15718 1 270 . 1 1 24 24 TYR HB3 H 1 2.932 0.008 . 2 . . . . 32 TYR HB3 . 15718 1 271 . 1 1 24 24 TYR HD1 H 1 7.101 0.005 . 3 . . . . 32 TYR HD1 . 15718 1 272 . 1 1 24 24 TYR HD2 H 1 7.101 0.005 . 3 . . . . 32 TYR HD2 . 15718 1 273 . 1 1 24 24 TYR HE1 H 1 6.784 0.005 . 3 . . . . 32 TYR HE1 . 15718 1 274 . 1 1 24 24 TYR HE2 H 1 6.784 0.005 . 3 . . . . 32 TYR HE2 . 15718 1 275 . 1 1 24 24 TYR C C 13 173.845 0.4 . 1 . . . . 32 TYR C . 15718 1 276 . 1 1 24 24 TYR CA C 13 55.218 0.014 . 1 . . . . 32 TYR CA . 15718 1 277 . 1 1 24 24 TYR CB C 13 37.544 0.007 . 1 . . . . 32 TYR CB . 15718 1 278 . 1 1 24 24 TYR CD1 C 13 133.662 0.022 . 3 . . . . 32 TYR CD1 . 15718 1 279 . 1 1 24 24 TYR CD2 C 13 133.662 0.022 . 3 . . . . 32 TYR CD2 . 15718 1 280 . 1 1 24 24 TYR CE1 C 13 118.127 0.028 . 3 . . . . 32 TYR CE1 . 15718 1 281 . 1 1 24 24 TYR CE2 C 13 118.127 0.028 . 3 . . . . 32 TYR CE2 . 15718 1 282 . 1 1 24 24 TYR N N 15 121.006 0.152 . 1 . . . . 32 TYR N . 15718 1 283 . 1 1 25 25 PRO HA H 1 4.029 0.005 . 1 . . . . 33 PRO HA . 15718 1 284 . 1 1 25 25 PRO HB2 H 1 1.811 0.012 . 2 . . . . 33 PRO HB2 . 15718 1 285 . 1 1 25 25 PRO HB3 H 1 2.236 0.007 . 2 . . . . 33 PRO HB3 . 15718 1 286 . 1 1 25 25 PRO HD2 H 1 3.380 0.003 . 2 . . . . 33 PRO HD2 . 15718 1 287 . 1 1 25 25 PRO HD3 H 1 3.758 0.005 . 2 . . . . 33 PRO HD3 . 15718 1 288 . 1 1 25 25 PRO HG2 H 1 1.818 0.004 . 2 . . . . 33 PRO HG2 . 15718 1 289 . 1 1 25 25 PRO HG3 H 1 2.095 0.008 . 2 . . . . 33 PRO HG3 . 15718 1 290 . 1 1 25 25 PRO C C 13 178.006 0.001 . 1 . . . . 33 PRO C . 15718 1 291 . 1 1 25 25 PRO CA C 13 65.022 0.037 . 1 . . . . 33 PRO CA . 15718 1 292 . 1 1 25 25 PRO CB C 13 31.530 0.003 . 1 . . . . 33 PRO CB . 15718 1 293 . 1 1 25 25 PRO CD C 13 50.344 0.001 . 1 . . . . 33 PRO CD . 15718 1 294 . 1 1 25 25 PRO CG C 13 28.413 0.009 . 1 . . . . 33 PRO CG . 15718 1 295 . 1 1 26 26 GLY H H 1 8.445 0.016 . 1 . . . . 34 GLY H . 15718 1 296 . 1 1 26 26 GLY HA2 H 1 3.595 0.007 . 2 . . . . 34 GLY HA2 . 15718 1 297 . 1 1 26 26 GLY HA3 H 1 4.115 0.011 . 2 . . . . 34 GLY HA3 . 15718 1 298 . 1 1 26 26 GLY C C 13 174.579 0.018 . 1 . . . . 34 GLY C . 15718 1 299 . 1 1 26 26 GLY CA C 13 45.644 0.049 . 1 . . . . 34 GLY CA . 15718 1 300 . 1 1 26 26 GLY N N 15 113.505 0.140 . 1 . . . . 34 GLY N . 15718 1 301 . 1 1 27 27 GLY H H 1 8.400 0.017 . 1 . . . . 35 GLY H . 15718 1 302 . 1 1 27 27 GLY HA2 H 1 3.265 0.006 . 2 . . . . 35 GLY HA2 . 15718 1 303 . 1 1 27 27 GLY HA3 H 1 4.223 0.007 . 2 . . . . 35 GLY HA3 . 15718 1 304 . 1 1 27 27 GLY C C 13 172.622 0.022 . 1 . . . . 35 GLY C . 15718 1 305 . 1 1 27 27 GLY CA C 13 43.727 0.019 . 1 . . . . 35 GLY CA . 15718 1 306 . 1 1 27 27 GLY N N 15 109.695 0.146 . 1 . . . . 35 GLY N . 15718 1 307 . 1 1 28 28 ASP H H 1 8.051 0.016 . 1 . . . . 36 ASP H . 15718 1 308 . 1 1 28 28 ASP HA H 1 4.526 0.012 . 1 . . . . 36 ASP HA . 15718 1 309 . 1 1 28 28 ASP HB2 H 1 2.337 0.007 . 2 . . . . 36 ASP HB2 . 15718 1 310 . 1 1 28 28 ASP HB3 H 1 2.576 0.007 . 2 . . . . 36 ASP HB3 . 15718 1 311 . 1 1 28 28 ASP C C 13 175.909 0.011 . 1 . . . . 36 ASP C . 15718 1 312 . 1 1 28 28 ASP CA C 13 53.127 0.021 . 1 . . . . 36 ASP CA . 15718 1 313 . 1 1 28 28 ASP CB C 13 42.340 0.012 . 1 . . . . 36 ASP CB . 15718 1 314 . 1 1 28 28 ASP N N 15 118.362 0.046 . 1 . . . . 36 ASP N . 15718 1 315 . 1 1 29 29 TRP H H 1 7.895 0.013 . 1 . . . . 37 TRP H . 15718 1 316 . 1 1 29 29 TRP HA H 1 4.217 0.006 . 1 . . . . 37 TRP HA . 15718 1 317 . 1 1 29 29 TRP HB2 H 1 2.617 0.009 . 2 . . . . 37 TRP HB2 . 15718 1 318 . 1 1 29 29 TRP HB3 H 1 3.064 0.008 . 2 . . . . 37 TRP HB3 . 15718 1 319 . 1 1 29 29 TRP HD1 H 1 7.152 0.007 . 1 . . . . 37 TRP HD1 . 15718 1 320 . 1 1 29 29 TRP HE1 H 1 10.272 0.002 . 1 . . . . 37 TRP HE1 . 15718 1 321 . 1 1 29 29 TRP HE3 H 1 6.852 0.011 . 1 . . . . 37 TRP HE3 . 15718 1 322 . 1 1 29 29 TRP HH2 H 1 6.798 0.008 . 1 . . . . 37 TRP HH2 . 15718 1 323 . 1 1 29 29 TRP HZ2 H 1 7.272 0.003 . 1 . . . . 37 TRP HZ2 . 15718 1 324 . 1 1 29 29 TRP HZ3 H 1 6.492 0.005 . 1 . . . . 37 TRP HZ3 . 15718 1 325 . 1 1 29 29 TRP C C 13 176.801 0.010 . 1 . . . . 37 TRP C . 15718 1 326 . 1 1 29 29 TRP CA C 13 57.919 0.037 . 1 . . . . 37 TRP CA . 15718 1 327 . 1 1 29 29 TRP CB C 13 30.183 0.009 . 1 . . . . 37 TRP CB . 15718 1 328 . 1 1 29 29 TRP CD1 C 13 128.302 0.4 . 1 . . . . 37 TRP CD1 . 15718 1 329 . 1 1 29 29 TRP CE3 C 13 119.382 0.061 . 1 . . . . 37 TRP CE3 . 15718 1 330 . 1 1 29 29 TRP CH2 C 13 122.410 0.4 . 1 . . . . 37 TRP CH2 . 15718 1 331 . 1 1 29 29 TRP CZ2 C 13 114.005 0.014 . 1 . . . . 37 TRP CZ2 . 15718 1 332 . 1 1 29 29 TRP CZ3 C 13 122.206 0.012 . 1 . . . . 37 TRP CZ3 . 15718 1 333 . 1 1 29 29 TRP N N 15 121.719 0.048 . 1 . . . . 37 TRP N . 15718 1 334 . 1 1 29 29 TRP NE1 N 15 130.803 0.009 . 1 . . . . 37 TRP NE1 . 15718 1 335 . 1 1 30 30 LYS H H 1 8.933 0.015 . 1 . . . . 38 LYS H . 15718 1 336 . 1 1 30 30 LYS HA H 1 4.912 0.004 . 1 . . . . 38 LYS HA . 15718 1 337 . 1 1 30 30 LYS HB2 H 1 1.718 0.005 . 2 . . . . 38 LYS HB2 . 15718 1 338 . 1 1 30 30 LYS HB3 H 1 1.813 0.004 . 2 . . . . 38 LYS HB3 . 15718 1 339 . 1 1 30 30 LYS HD2 H 1 1.626 0.005 . 2 . . . . 38 LYS HD2 . 15718 1 340 . 1 1 30 30 LYS HD3 H 1 1.699 0.012 . 2 . . . . 38 LYS HD3 . 15718 1 341 . 1 1 30 30 LYS HE2 H 1 2.951 0.007 . 1 . . . . 38 LYS HE2 . 15718 1 342 . 1 1 30 30 LYS HE3 H 1 2.949 0.010 . 1 . . . . 38 LYS HE3 . 15718 1 343 . 1 1 30 30 LYS HG2 H 1 1.426 0.007 . 2 . . . . 38 LYS HG2 . 15718 1 344 . 1 1 30 30 LYS HG3 H 1 1.427 0.007 . 2 . . . . 38 LYS HG3 . 15718 1 345 . 1 1 30 30 LYS C C 13 172.875 0.4 . 1 . . . . 38 LYS C . 15718 1 346 . 1 1 30 30 LYS CA C 13 53.460 0.006 . 1 . . . . 38 LYS CA . 15718 1 347 . 1 1 30 30 LYS CB C 13 34.090 0.003 . 1 . . . . 38 LYS CB . 15718 1 348 . 1 1 30 30 LYS CD C 13 28.812 0.4 . 1 . . . . 38 LYS CD . 15718 1 349 . 1 1 30 30 LYS CE C 13 41.901 0.4 . 1 . . . . 38 LYS CE . 15718 1 350 . 1 1 30 30 LYS CG C 13 23.855 0.014 . 1 . . . . 38 LYS CG . 15718 1 351 . 1 1 30 30 LYS N N 15 124.029 0.144 . 1 . . . . 38 LYS N . 15718 1 352 . 1 1 31 31 PRO HA H 1 4.456 0.008 . 1 . . . . 39 PRO HA . 15718 1 353 . 1 1 31 31 PRO HB2 H 1 1.874 0.009 . 2 . . . . 39 PRO HB2 . 15718 1 354 . 1 1 31 31 PRO HB3 H 1 2.434 0.005 . 2 . . . . 39 PRO HB3 . 15718 1 355 . 1 1 31 31 PRO HD2 H 1 3.580 0.006 . 2 . . . . 39 PRO HD2 . 15718 1 356 . 1 1 31 31 PRO HD3 H 1 3.872 0.006 . 2 . . . . 39 PRO HD3 . 15718 1 357 . 1 1 31 31 PRO HG2 H 1 2.088 0.008 . 2 . . . . 39 PRO HG2 . 15718 1 358 . 1 1 31 31 PRO HG3 H 1 2.160 0.009 . 2 . . . . 39 PRO HG3 . 15718 1 359 . 1 1 31 31 PRO C C 13 176.737 0.4 . 1 . . . . 39 PRO C . 15718 1 360 . 1 1 31 31 PRO CA C 13 64.399 0.037 . 1 . . . . 39 PRO CA . 15718 1 361 . 1 1 31 31 PRO CB C 13 32.175 0.4 . 1 . . . . 39 PRO CB . 15718 1 362 . 1 1 31 31 PRO CD C 13 50.461 0.004 . 1 . . . . 39 PRO CD . 15718 1 363 . 1 1 31 31 PRO CG C 13 28.195 0.001 . 1 . . . . 39 PRO CG . 15718 1 364 . 1 1 32 32 ALA H H 1 7.955 0.015 . 1 . . . . 40 ALA H . 15718 1 365 . 1 1 32 32 ALA HA H 1 4.252 0.010 . 1 . . . . 40 ALA HA . 15718 1 366 . 1 1 32 32 ALA HB1 H 1 1.149 0.010 . 1 . . . . 40 ALA HB1 . 15718 1 367 . 1 1 32 32 ALA HB2 H 1 1.149 0.010 . 1 . . . . 40 ALA HB2 . 15718 1 368 . 1 1 32 32 ALA HB3 H 1 1.149 0.010 . 1 . . . . 40 ALA HB3 . 15718 1 369 . 1 1 32 32 ALA C C 13 176.779 0.004 . 1 . . . . 40 ALA C . 15718 1 370 . 1 1 32 32 ALA CA C 13 51.430 0.054 . 1 . . . . 40 ALA CA . 15718 1 371 . 1 1 32 32 ALA CB C 13 20.360 0.063 . 1 . . . . 40 ALA CB . 15718 1 372 . 1 1 32 32 ALA N N 15 126.945 0.160 . 1 . . . . 40 ALA N . 15718 1 373 . 1 1 33 33 GLU H H 1 8.584 0.015 . 1 . . . . 41 GLU H . 15718 1 374 . 1 1 33 33 GLU HA H 1 3.892 0.008 . 1 . . . . 41 GLU HA . 15718 1 375 . 1 1 33 33 GLU HB2 H 1 1.943 0.016 . 2 . . . . 41 GLU HB2 . 15718 1 376 . 1 1 33 33 GLU HB3 H 1 2.021 0.004 . 2 . . . . 41 GLU HB3 . 15718 1 377 . 1 1 33 33 GLU HG2 H 1 2.264 0.010 . 2 . . . . 41 GLU HG2 . 15718 1 378 . 1 1 33 33 GLU HG3 H 1 2.272 0.005 . 2 . . . . 41 GLU HG3 . 15718 1 379 . 1 1 33 33 GLU C C 13 177.873 0.004 . 1 . . . . 41 GLU C . 15718 1 380 . 1 1 33 33 GLU CA C 13 60.301 0.028 . 1 . . . . 41 GLU CA . 15718 1 381 . 1 1 33 33 GLU CB C 13 29.396 0.036 . 1 . . . . 41 GLU CB . 15718 1 382 . 1 1 33 33 GLU CG C 13 36.433 0.4 . 1 . . . . 41 GLU CG . 15718 1 383 . 1 1 33 33 GLU N N 15 122.131 0.156 . 1 . . . . 41 GLU N . 15718 1 384 . 1 1 34 34 ASP H H 1 7.995 0.020 . 1 . . . . 42 ASP H . 15718 1 385 . 1 1 34 34 ASP HA H 1 5.064 0.006 . 1 . . . . 42 ASP HA . 15718 1 386 . 1 1 34 34 ASP HB2 H 1 2.251 0.011 . 2 . . . . 42 ASP HB2 . 15718 1 387 . 1 1 34 34 ASP HB3 H 1 2.548 0.009 . 2 . . . . 42 ASP HB3 . 15718 1 388 . 1 1 34 34 ASP C C 13 175.205 0.013 . 1 . . . . 42 ASP C . 15718 1 389 . 1 1 34 34 ASP CA C 13 52.823 0.065 . 1 . . . . 42 ASP CA . 15718 1 390 . 1 1 34 34 ASP CB C 13 39.673 0.004 . 1 . . . . 42 ASP CB . 15718 1 391 . 1 1 34 34 ASP N N 15 116.660 0.142 . 1 . . . . 42 ASP N . 15718 1 392 . 1 1 35 35 THR H H 1 8.110 0.012 . 1 . . . . 43 THR H . 15718 1 393 . 1 1 35 35 THR HA H 1 3.681 0.007 . 1 . . . . 43 THR HA . 15718 1 394 . 1 1 35 35 THR HB H 1 3.817 0.027 . 1 . . . . 43 THR HB . 15718 1 395 . 1 1 35 35 THR HG21 H 1 0.906 0.009 . 1 . . . . 43 THR HG21 . 15718 1 396 . 1 1 35 35 THR HG22 H 1 0.906 0.009 . 1 . . . . 43 THR HG22 . 15718 1 397 . 1 1 35 35 THR HG23 H 1 0.906 0.009 . 1 . . . . 43 THR HG23 . 15718 1 398 . 1 1 35 35 THR C C 13 174.457 0.012 . 1 . . . . 43 THR C . 15718 1 399 . 1 1 35 35 THR CA C 13 67.130 0.066 . 1 . . . . 43 THR CA . 15718 1 400 . 1 1 35 35 THR CB C 13 69.539 0.003 . 1 . . . . 43 THR CB . 15718 1 401 . 1 1 35 35 THR CG2 C 13 23.196 0.006 . 1 . . . . 43 THR CG2 . 15718 1 402 . 1 1 35 35 THR N N 15 118.874 0.171 . 1 . . . . 43 THR N . 15718 1 403 . 1 1 36 36 TYR H H 1 8.395 0.015 . 1 . . . . 44 TYR H . 15718 1 404 . 1 1 36 36 TYR HA H 1 5.913 0.008 . 1 . . . . 44 TYR HA . 15718 1 405 . 1 1 36 36 TYR HB2 H 1 2.582 0.007 . 2 . . . . 44 TYR HB2 . 15718 1 406 . 1 1 36 36 TYR HB3 H 1 2.632 0.008 . 2 . . . . 44 TYR HB3 . 15718 1 407 . 1 1 36 36 TYR HD1 H 1 7.031 0.012 . 3 . . . . 44 TYR HD1 . 15718 1 408 . 1 1 36 36 TYR HD2 H 1 7.031 0.012 . 3 . . . . 44 TYR HD2 . 15718 1 409 . 1 1 36 36 TYR HE1 H 1 6.663 0.009 . 3 . . . . 44 TYR HE1 . 15718 1 410 . 1 1 36 36 TYR HE2 H 1 6.663 0.009 . 3 . . . . 44 TYR HE2 . 15718 1 411 . 1 1 36 36 TYR C C 13 176.044 0.036 . 1 . . . . 44 TYR C . 15718 1 412 . 1 1 36 36 TYR CA C 13 56.999 0.018 . 1 . . . . 44 TYR CA . 15718 1 413 . 1 1 36 36 TYR CB C 13 39.213 0.036 . 1 . . . . 44 TYR CB . 15718 1 414 . 1 1 36 36 TYR CD1 C 13 133.536 0.234 . 3 . . . . 44 TYR CD1 . 15718 1 415 . 1 1 36 36 TYR CD2 C 13 133.536 0.234 . 3 . . . . 44 TYR CD2 . 15718 1 416 . 1 1 36 36 TYR CE1 C 13 117.784 0.036 . 3 . . . . 44 TYR CE1 . 15718 1 417 . 1 1 36 36 TYR CE2 C 13 117.784 0.036 . 3 . . . . 44 TYR CE2 . 15718 1 418 . 1 1 36 36 TYR N N 15 119.236 0.132 . 1 . . . . 44 TYR N . 15718 1 419 . 1 1 37 37 THR H H 1 9.114 0.013 . 1 . . . . 45 THR H . 15718 1 420 . 1 1 37 37 THR HA H 1 5.201 0.012 . 1 . . . . 45 THR HA . 15718 1 421 . 1 1 37 37 THR HB H 1 4.136 0.012 . 1 . . . . 45 THR HB . 15718 1 422 . 1 1 37 37 THR HG21 H 1 0.835 0.009 . 1 . . . . 45 THR HG21 . 15718 1 423 . 1 1 37 37 THR HG22 H 1 0.835 0.009 . 1 . . . . 45 THR HG22 . 15718 1 424 . 1 1 37 37 THR HG23 H 1 0.835 0.009 . 1 . . . . 45 THR HG23 . 15718 1 425 . 1 1 37 37 THR C C 13 173.691 0.4 . 1 . . . . 45 THR C . 15718 1 426 . 1 1 37 37 THR CA C 13 59.520 0.047 . 1 . . . . 45 THR CA . 15718 1 427 . 1 1 37 37 THR CB C 13 74.765 0.054 . 1 . . . . 45 THR CB . 15718 1 428 . 1 1 37 37 THR CG2 C 13 19.857 0.002 . 1 . . . . 45 THR CG2 . 15718 1 429 . 1 1 37 37 THR N N 15 112.524 0.154 . 1 . . . . 45 THR N . 15718 1 430 . 1 1 38 38 ASP H H 1 8.573 0.015 . 1 . . . . 46 ASP H . 15718 1 431 . 1 1 38 38 ASP HA H 1 5.155 0.019 . 1 . . . . 46 ASP HA . 15718 1 432 . 1 1 38 38 ASP HB2 H 1 2.822 0.008 . 2 . . . . 46 ASP HB2 . 15718 1 433 . 1 1 38 38 ASP HB3 H 1 3.393 0.008 . 2 . . . . 46 ASP HB3 . 15718 1 434 . 1 1 38 38 ASP C C 13 179.617 0.019 . 1 . . . . 46 ASP C . 15718 1 435 . 1 1 38 38 ASP CA C 13 52.390 0.021 . 1 . . . . 46 ASP CA . 15718 1 436 . 1 1 38 38 ASP CB C 13 42.045 0.016 . 1 . . . . 46 ASP CB . 15718 1 437 . 1 1 38 38 ASP N N 15 117.602 0.147 . 1 . . . . 46 ASP N . 15718 1 438 . 1 1 39 39 ALA H H 1 9.016 0.013 . 1 . . . . 47 ALA H . 15718 1 439 . 1 1 39 39 ALA HA H 1 3.049 0.008 . 1 . . . . 47 ALA HA . 15718 1 440 . 1 1 39 39 ALA HB1 H 1 1.347 0.011 . 1 . . . . 47 ALA HB1 . 15718 1 441 . 1 1 39 39 ALA HB2 H 1 1.347 0.011 . 1 . . . . 47 ALA HB2 . 15718 1 442 . 1 1 39 39 ALA HB3 H 1 1.347 0.011 . 1 . . . . 47 ALA HB3 . 15718 1 443 . 1 1 39 39 ALA C C 13 178.596 0.008 . 1 . . . . 47 ALA C . 15718 1 444 . 1 1 39 39 ALA CA C 13 54.758 0.020 . 1 . . . . 47 ALA CA . 15718 1 445 . 1 1 39 39 ALA CB C 13 18.659 0.039 . 1 . . . . 47 ALA CB . 15718 1 446 . 1 1 39 39 ALA N N 15 121.583 0.139 . 1 . . . . 47 ALA N . 15718 1 447 . 1 1 40 40 ASN H H 1 7.900 0.015 . 1 . . . . 48 ASN H . 15718 1 448 . 1 1 40 40 ASN HA H 1 4.674 0.005 . 1 . . . . 48 ASN HA . 15718 1 449 . 1 1 40 40 ASN HB2 H 1 2.897 0.016 . 1 . . . . 48 ASN HB2 . 15718 1 450 . 1 1 40 40 ASN HB3 H 1 2.897 0.016 . 1 . . . . 48 ASN HB3 . 15718 1 451 . 1 1 40 40 ASN HD21 H 1 6.893 0.004 . 1 . . . . 48 ASN HD21 . 15718 1 452 . 1 1 40 40 ASN HD22 H 1 8.031 0.001 . 1 . . . . 48 ASN HD22 . 15718 1 453 . 1 1 40 40 ASN C C 13 175.688 0.011 . 1 . . . . 48 ASN C . 15718 1 454 . 1 1 40 40 ASN CA C 13 53.149 0.010 . 1 . . . . 48 ASN CA . 15718 1 455 . 1 1 40 40 ASN CB C 13 39.212 0.066 . 1 . . . . 48 ASN CB . 15718 1 456 . 1 1 40 40 ASN N N 15 114.187 0.148 . 1 . . . . 48 ASN N . 15718 1 457 . 1 1 40 40 ASN ND2 N 15 115.356 0.1 . 1 . . . . 48 ASN ND2 . 15718 1 458 . 1 1 41 41 GLY H H 1 7.881 0.017 . 1 . . . . 49 GLY H . 15718 1 459 . 1 1 41 41 GLY HA2 H 1 3.498 0.009 . 2 . . . . 49 GLY HA2 . 15718 1 460 . 1 1 41 41 GLY HA3 H 1 4.246 0.020 . 2 . . . . 49 GLY HA3 . 15718 1 461 . 1 1 41 41 GLY C C 13 173.516 0.022 . 1 . . . . 49 GLY C . 15718 1 462 . 1 1 41 41 GLY CA C 13 45.255 0.033 . 1 . . . . 49 GLY CA . 15718 1 463 . 1 1 41 41 GLY N N 15 107.122 0.154 . 1 . . . . 49 GLY N . 15718 1 464 . 1 1 42 42 ASP H H 1 8.274 0.016 . 1 . . . . 50 ASP H . 15718 1 465 . 1 1 42 42 ASP HA H 1 4.785 0.007 . 1 . . . . 50 ASP HA . 15718 1 466 . 1 1 42 42 ASP HB2 H 1 2.624 0.009 . 2 . . . . 50 ASP HB2 . 15718 1 467 . 1 1 42 42 ASP HB3 H 1 2.907 0.006 . 2 . . . . 50 ASP HB3 . 15718 1 468 . 1 1 42 42 ASP C C 13 175.536 0.005 . 1 . . . . 50 ASP C . 15718 1 469 . 1 1 42 42 ASP CA C 13 54.230 0.022 . 1 . . . . 50 ASP CA . 15718 1 470 . 1 1 42 42 ASP CB C 13 41.081 0.034 . 1 . . . . 50 ASP CB . 15718 1 471 . 1 1 42 42 ASP N N 15 122.905 0.132 . 1 . . . . 50 ASP N . 15718 1 472 . 1 1 43 43 LYS H H 1 8.496 0.010 . 1 . . . . 51 LYS H . 15718 1 473 . 1 1 43 43 LYS HA H 1 3.946 0.008 . 1 . . . . 51 LYS HA . 15718 1 474 . 1 1 43 43 LYS HB2 H 1 1.712 0.006 . 2 . . . . 51 LYS HB2 . 15718 1 475 . 1 1 43 43 LYS HB3 H 1 1.787 0.002 . 2 . . . . 51 LYS HB3 . 15718 1 476 . 1 1 43 43 LYS HD2 H 1 1.690 0.008 . 2 . . . . 51 LYS HD2 . 15718 1 477 . 1 1 43 43 LYS HD3 H 1 1.765 0.011 . 2 . . . . 51 LYS HD3 . 15718 1 478 . 1 1 43 43 LYS HE2 H 1 3.071 0.006 . 1 . . . . 51 LYS HE2 . 15718 1 479 . 1 1 43 43 LYS HE3 H 1 3.071 0.006 . 1 . . . . 51 LYS HE3 . 15718 1 480 . 1 1 43 43 LYS HG2 H 1 1.397 0.006 . 2 . . . . 51 LYS HG2 . 15718 1 481 . 1 1 43 43 LYS HG3 H 1 1.507 0.007 . 2 . . . . 51 LYS HG3 . 15718 1 482 . 1 1 43 43 LYS C C 13 174.859 0.006 . 1 . . . . 51 LYS C . 15718 1 483 . 1 1 43 43 LYS CA C 13 59.076 0.059 . 1 . . . . 51 LYS CA . 15718 1 484 . 1 1 43 43 LYS CB C 13 33.050 0.015 . 1 . . . . 51 LYS CB . 15718 1 485 . 1 1 43 43 LYS CD C 13 29.531 0.027 . 1 . . . . 51 LYS CD . 15718 1 486 . 1 1 43 43 LYS CE C 13 41.932 0.009 . 1 . . . . 51 LYS CE . 15718 1 487 . 1 1 43 43 LYS CG C 13 24.912 0.003 . 1 . . . . 51 LYS CG . 15718 1 488 . 1 1 43 43 LYS N N 15 122.090 0.035 . 1 . . . . 51 LYS N . 15718 1 489 . 1 1 44 44 ALA H H 1 8.211 0.017 . 1 . . . . 52 ALA H . 15718 1 490 . 1 1 44 44 ALA HA H 1 4.694 0.007 . 1 . . . . 52 ALA HA . 15718 1 491 . 1 1 44 44 ALA HB1 H 1 1.256 0.009 . 1 . . . . 52 ALA HB1 . 15718 1 492 . 1 1 44 44 ALA HB2 H 1 1.256 0.009 . 1 . . . . 52 ALA HB2 . 15718 1 493 . 1 1 44 44 ALA HB3 H 1 1.256 0.009 . 1 . . . . 52 ALA HB3 . 15718 1 494 . 1 1 44 44 ALA C C 13 175.001 0.4 . 1 . . . . 52 ALA C . 15718 1 495 . 1 1 44 44 ALA CA C 13 49.788 0.037 . 1 . . . . 52 ALA CA . 15718 1 496 . 1 1 44 44 ALA CB C 13 22.995 0.031 . 1 . . . . 52 ALA CB . 15718 1 497 . 1 1 44 44 ALA N N 15 129.892 0.133 . 1 . . . . 52 ALA N . 15718 1 498 . 1 1 45 45 ALA H H 1 7.883 0.008 . 1 . . . . 53 ALA H . 15718 1 499 . 1 1 45 45 ALA HA H 1 4.142 0.006 . 1 . . . . 53 ALA HA . 15718 1 500 . 1 1 45 45 ALA HB1 H 1 1.246 0.007 . 1 . . . . 53 ALA HB1 . 15718 1 501 . 1 1 45 45 ALA HB2 H 1 1.246 0.007 . 1 . . . . 53 ALA HB2 . 15718 1 502 . 1 1 45 45 ALA HB3 H 1 1.246 0.007 . 1 . . . . 53 ALA HB3 . 15718 1 503 . 1 1 45 45 ALA C C 13 175.261 0.018 . 1 . . . . 53 ALA C . 15718 1 504 . 1 1 45 45 ALA CA C 13 51.758 0.045 . 1 . . . . 53 ALA CA . 15718 1 505 . 1 1 45 45 ALA CB C 13 19.146 0.056 . 1 . . . . 53 ALA CB . 15718 1 506 . 1 1 45 45 ALA N N 15 121.721 0.040 . 1 . . . . 53 ALA N . 15718 1 507 . 1 1 46 46 SER H H 1 7.791 0.017 . 1 . . . . 54 SER H . 15718 1 508 . 1 1 46 46 SER HA H 1 3.550 0.010 . 1 . . . . 54 SER HA . 15718 1 509 . 1 1 46 46 SER HB2 H 1 3.560 0.007 . 2 . . . . 54 SER HB2 . 15718 1 510 . 1 1 46 46 SER HB3 H 1 3.590 0.015 . 2 . . . . 54 SER HB3 . 15718 1 511 . 1 1 46 46 SER C C 13 173.615 0.4 . 1 . . . . 54 SER C . 15718 1 512 . 1 1 46 46 SER CA C 13 55.714 0.021 . 1 . . . . 54 SER CA . 15718 1 513 . 1 1 46 46 SER CB C 13 63.136 0.4 . 1 . . . . 54 SER CB . 15718 1 514 . 1 1 46 46 SER N N 15 112.990 0.141 . 1 . . . . 54 SER N . 15718 1 515 . 1 1 47 47 PRO HA H 1 3.199 0.006 . 1 . . . . 55 PRO HA . 15718 1 516 . 1 1 47 47 PRO HB2 H 1 0.128 0.010 . 2 . . . . 55 PRO HB2 . 15718 1 517 . 1 1 47 47 PRO HB3 H 1 0.812 0.011 . 2 . . . . 55 PRO HB3 . 15718 1 518 . 1 1 47 47 PRO HD2 H 1 1.976 0.006 . 2 . . . . 55 PRO HD2 . 15718 1 519 . 1 1 47 47 PRO HD3 H 1 2.448 0.009 . 2 . . . . 55 PRO HD3 . 15718 1 520 . 1 1 47 47 PRO HG2 H 1 0.465 0.009 . 2 . . . . 55 PRO HG2 . 15718 1 521 . 1 1 47 47 PRO HG3 H 1 1.259 0.011 . 2 . . . . 55 PRO HG3 . 15718 1 522 . 1 1 47 47 PRO C C 13 177.913 0.005 . 1 . . . . 55 PRO C . 15718 1 523 . 1 1 47 47 PRO CA C 13 65.299 0.028 . 1 . . . . 55 PRO CA . 15718 1 524 . 1 1 47 47 PRO CB C 13 29.839 0.023 . 1 . . . . 55 PRO CB . 15718 1 525 . 1 1 47 47 PRO CD C 13 48.621 0.4 . 1 . . . . 55 PRO CD . 15718 1 526 . 1 1 47 47 PRO CG C 13 27.328 0.001 . 1 . . . . 55 PRO CG . 15718 1 527 . 1 1 48 48 SER H H 1 7.455 0.014 . 1 . . . . 56 SER H . 15718 1 528 . 1 1 48 48 SER HA H 1 4.152 0.005 . 1 . . . . 56 SER HA . 15718 1 529 . 1 1 48 48 SER HB2 H 1 3.780 0.007 . 2 . . . . 56 SER HB2 . 15718 1 530 . 1 1 48 48 SER HB3 H 1 3.786 0.006 . 2 . . . . 56 SER HB3 . 15718 1 531 . 1 1 48 48 SER C C 13 175.177 0.005 . 1 . . . . 56 SER C . 15718 1 532 . 1 1 48 48 SER CA C 13 60.565 0.068 . 1 . . . . 56 SER CA . 15718 1 533 . 1 1 48 48 SER CB C 13 62.798 0.062 . 1 . . . . 56 SER CB . 15718 1 534 . 1 1 48 48 SER N N 15 109.343 0.146 . 1 . . . . 56 SER N . 15718 1 535 . 1 1 49 49 GLU H H 1 7.659 0.003 . 1 . . . . 57 GLU H . 15718 1 536 . 1 1 49 49 GLU HA H 1 4.270 0.003 . 1 . . . . 57 GLU HA . 15718 1 537 . 1 1 49 49 GLU HB2 H 1 2.043 0.012 . 2 . . . . 57 GLU HB2 . 15718 1 538 . 1 1 49 49 GLU HB3 H 1 2.134 0.019 . 2 . . . . 57 GLU HB3 . 15718 1 539 . 1 1 49 49 GLU C C 13 176.664 0.010 . 1 . . . . 57 GLU C . 15718 1 540 . 1 1 49 49 GLU CA C 13 56.309 0.014 . 1 . . . . 57 GLU CA . 15718 1 541 . 1 1 49 49 GLU CB C 13 31.688 0.010 . 1 . . . . 57 GLU CB . 15718 1 542 . 1 1 49 49 GLU N N 15 120.240 0.034 . 1 . . . . 57 GLU N . 15718 1 543 . 1 1 50 50 LEU H H 1 7.293 0.013 . 1 . . . . 58 LEU H . 15718 1 544 . 1 1 50 50 LEU HA H 1 4.351 0.006 . 1 . . . . 58 LEU HA . 15718 1 545 . 1 1 50 50 LEU HB2 H 1 1.769 0.014 . 2 . . . . 58 LEU HB2 . 15718 1 546 . 1 1 50 50 LEU HB3 H 1 1.843 0.006 . 2 . . . . 58 LEU HB3 . 15718 1 547 . 1 1 50 50 LEU HD11 H 1 0.758 0.007 . 2 . . . . 58 LEU HD11 . 15718 1 548 . 1 1 50 50 LEU HD12 H 1 0.758 0.007 . 2 . . . . 58 LEU HD12 . 15718 1 549 . 1 1 50 50 LEU HD13 H 1 0.758 0.007 . 2 . . . . 58 LEU HD13 . 15718 1 550 . 1 1 50 50 LEU HD21 H 1 1.024 0.006 . 2 . . . . 58 LEU HD21 . 15718 1 551 . 1 1 50 50 LEU HD22 H 1 1.024 0.006 . 2 . . . . 58 LEU HD22 . 15718 1 552 . 1 1 50 50 LEU HD23 H 1 1.024 0.006 . 2 . . . . 58 LEU HD23 . 15718 1 553 . 1 1 50 50 LEU HG H 1 1.676 0.012 . 1 . . . . 58 LEU HG . 15718 1 554 . 1 1 50 50 LEU C C 13 176.842 0.020 . 1 . . . . 58 LEU C . 15718 1 555 . 1 1 50 50 LEU CA C 13 56.157 0.028 . 1 . . . . 58 LEU CA . 15718 1 556 . 1 1 50 50 LEU CB C 13 42.503 0.007 . 1 . . . . 58 LEU CB . 15718 1 557 . 1 1 50 50 LEU CD1 C 13 25.336 0.001 . 2 . . . . 58 LEU CD1 . 15718 1 558 . 1 1 50 50 LEU CD2 C 13 24.835 0.4 . 2 . . . . 58 LEU CD2 . 15718 1 559 . 1 1 50 50 LEU CG C 13 27.241 0.4 . 1 . . . . 58 LEU CG . 15718 1 560 . 1 1 50 50 LEU N N 15 123.081 0.140 . 1 . . . . 58 LEU N . 15718 1 561 . 1 1 51 51 THR H H 1 8.183 0.018 . 1 . . . . 59 THR H . 15718 1 562 . 1 1 51 51 THR HA H 1 4.773 0.007 . 1 . . . . 59 THR HA . 15718 1 563 . 1 1 51 51 THR HB H 1 4.245 0.007 . 1 . . . . 59 THR HB . 15718 1 564 . 1 1 51 51 THR HG21 H 1 1.245 0.010 . 1 . . . . 59 THR HG21 . 15718 1 565 . 1 1 51 51 THR HG22 H 1 1.245 0.010 . 1 . . . . 59 THR HG22 . 15718 1 566 . 1 1 51 51 THR HG23 H 1 1.245 0.010 . 1 . . . . 59 THR HG23 . 15718 1 567 . 1 1 51 51 THR C C 13 174.433 0.018 . 1 . . . . 59 THR C . 15718 1 568 . 1 1 51 51 THR CA C 13 60.162 0.074 . 1 . . . . 59 THR CA . 15718 1 569 . 1 1 51 51 THR CB C 13 71.178 0.100 . 1 . . . . 59 THR CB . 15718 1 570 . 1 1 51 51 THR CG2 C 13 21.882 0.001 . 1 . . . . 59 THR CG2 . 15718 1 571 . 1 1 51 51 THR N N 15 116.345 0.134 . 1 . . . . 59 THR N . 15718 1 572 . 1 1 52 52 CYS H H 1 8.492 0.011 . 1 . . . . 60 CYS H . 15718 1 573 . 1 1 52 52 CYS HA H 1 3.891 0.004 . 1 . . . . 60 CYS HA . 15718 1 574 . 1 1 52 52 CYS HB2 H 1 1.975 0.009 . 2 . . . . 60 CYS HB2 . 15718 1 575 . 1 1 52 52 CYS HB3 H 1 2.235 0.011 . 2 . . . . 60 CYS HB3 . 15718 1 576 . 1 1 52 52 CYS C C 13 173.102 0.4 . 1 . . . . 60 CYS C . 15718 1 577 . 1 1 52 52 CYS CA C 13 58.584 0.002 . 1 . . . . 60 CYS CA . 15718 1 578 . 1 1 52 52 CYS CB C 13 26.781 0.009 . 1 . . . . 60 CYS CB . 15718 1 579 . 1 1 52 52 CYS N N 15 122.110 0.044 . 1 . . . . 60 CYS N . 15718 1 580 . 1 1 53 53 PRO HA H 1 4.592 0.006 . 1 . . . . 61 PRO HA . 15718 1 581 . 1 1 53 53 PRO HB2 H 1 1.592 0.011 . 2 . . . . 61 PRO HB2 . 15718 1 582 . 1 1 53 53 PRO HB3 H 1 2.223 0.007 . 2 . . . . 61 PRO HB3 . 15718 1 583 . 1 1 53 53 PRO HD2 H 1 2.660 0.007 . 2 . . . . 61 PRO HD2 . 15718 1 584 . 1 1 53 53 PRO HD3 H 1 3.534 0.010 . 2 . . . . 61 PRO HD3 . 15718 1 585 . 1 1 53 53 PRO HG2 H 1 1.138 0.013 . 2 . . . . 61 PRO HG2 . 15718 1 586 . 1 1 53 53 PRO HG3 H 1 1.467 0.006 . 2 . . . . 61 PRO HG3 . 15718 1 587 . 1 1 53 53 PRO CA C 13 61.642 0.002 . 1 . . . . 61 PRO CA . 15718 1 588 . 1 1 53 53 PRO CB C 13 30.180 0.006 . 1 . . . . 61 PRO CB . 15718 1 589 . 1 1 53 53 PRO CD C 13 50.417 0.017 . 1 . . . . 61 PRO CD . 15718 1 590 . 1 1 53 53 PRO CG C 13 26.664 0.006 . 1 . . . . 61 PRO CG . 15718 1 591 . 1 1 54 54 PRO HA H 1 4.360 0.004 . 1 . . . . 62 PRO HA . 15718 1 592 . 1 1 54 54 PRO HB2 H 1 1.634 0.000 . 2 . . . . 62 PRO HB2 . 15718 1 593 . 1 1 54 54 PRO HB3 H 1 2.145 0.000 . 2 . . . . 62 PRO HB3 . 15718 1 594 . 1 1 54 54 PRO HD2 H 1 3.538 0.006 . 2 . . . . 62 PRO HD2 . 15718 1 595 . 1 1 54 54 PRO HD3 H 1 3.789 0.033 . 2 . . . . 62 PRO HD3 . 15718 1 596 . 1 1 54 54 PRO HG2 H 1 2.003 0.005 . 2 . . . . 62 PRO HG2 . 15718 1 597 . 1 1 54 54 PRO HG3 H 1 2.099 0.002 . 2 . . . . 62 PRO HG3 . 15718 1 598 . 1 1 54 54 PRO C C 13 178.309 0.013 . 1 . . . . 62 PRO C . 15718 1 599 . 1 1 54 54 PRO CA C 13 64.046 0.041 . 1 . . . . 62 PRO CA . 15718 1 600 . 1 1 54 54 PRO CB C 13 31.886 0.4 . 1 . . . . 62 PRO CB . 15718 1 601 . 1 1 54 54 PRO CD C 13 50.354 0.007 . 1 . . . . 62 PRO CD . 15718 1 602 . 1 1 54 54 PRO CG C 13 27.790 0.4 . 1 . . . . 62 PRO CG . 15718 1 603 . 1 1 55 55 GLY H H 1 8.857 0.017 . 1 . . . . 63 GLY H . 15718 1 604 . 1 1 55 55 GLY HA2 H 1 3.610 0.006 . 2 . . . . 63 GLY HA2 . 15718 1 605 . 1 1 55 55 GLY HA3 H 1 4.181 0.004 . 2 . . . . 63 GLY HA3 . 15718 1 606 . 1 1 55 55 GLY C C 13 173.581 0.024 . 1 . . . . 63 GLY C . 15718 1 607 . 1 1 55 55 GLY CA C 13 45.351 0.017 . 1 . . . . 63 GLY CA . 15718 1 608 . 1 1 55 55 GLY N N 15 112.159 0.132 . 1 . . . . 63 GLY N . 15718 1 609 . 1 1 56 56 TRP H H 1 7.914 0.017 . 1 . . . . 64 TRP H . 15718 1 610 . 1 1 56 56 TRP HA H 1 4.981 0.012 . 1 . . . . 64 TRP HA . 15718 1 611 . 1 1 56 56 TRP HB2 H 1 2.656 0.009 . 2 . . . . 64 TRP HB2 . 15718 1 612 . 1 1 56 56 TRP HB3 H 1 3.002 0.009 . 2 . . . . 64 TRP HB3 . 15718 1 613 . 1 1 56 56 TRP HD1 H 1 7.089 0.018 . 1 . . . . 64 TRP HD1 . 15718 1 614 . 1 1 56 56 TRP HE1 H 1 10.353 0.002 . 1 . . . . 64 TRP HE1 . 15718 1 615 . 1 1 56 56 TRP HE3 H 1 7.005 0.010 . 1 . . . . 64 TRP HE3 . 15718 1 616 . 1 1 56 56 TRP HH2 H 1 6.853 0.015 . 1 . . . . 64 TRP HH2 . 15718 1 617 . 1 1 56 56 TRP HZ2 H 1 7.357 0.007 . 1 . . . . 64 TRP HZ2 . 15718 1 618 . 1 1 56 56 TRP HZ3 H 1 6.881 0.011 . 1 . . . . 64 TRP HZ3 . 15718 1 619 . 1 1 56 56 TRP C C 13 174.208 0.016 . 1 . . . . 64 TRP C . 15718 1 620 . 1 1 56 56 TRP CA C 13 56.080 0.050 . 1 . . . . 64 TRP CA . 15718 1 621 . 1 1 56 56 TRP CB C 13 32.030 0.031 . 1 . . . . 64 TRP CB . 15718 1 622 . 1 1 56 56 TRP CD1 C 13 128.474 0.020 . 1 . . . . 64 TRP CD1 . 15718 1 623 . 1 1 56 56 TRP CE3 C 13 118.271 0.011 . 1 . . . . 64 TRP CE3 . 15718 1 624 . 1 1 56 56 TRP CH2 C 13 124.384 0.009 . 1 . . . . 64 TRP CH2 . 15718 1 625 . 1 1 56 56 TRP CZ2 C 13 115.629 0.012 . 1 . . . . 64 TRP CZ2 . 15718 1 626 . 1 1 56 56 TRP CZ3 C 13 122.939 0.009 . 1 . . . . 64 TRP CZ3 . 15718 1 627 . 1 1 56 56 TRP N N 15 120.090 0.136 . 1 . . . . 64 TRP N . 15718 1 628 . 1 1 56 56 TRP NE1 N 15 132.401 0.007 . 1 . . . . 64 TRP NE1 . 15718 1 629 . 1 1 57 57 GLU H H 1 8.979 0.011 . 1 . . . . 65 GLU H . 15718 1 630 . 1 1 57 57 GLU HA H 1 4.710 0.008 . 1 . . . . 65 GLU HA . 15718 1 631 . 1 1 57 57 GLU HB2 H 1 1.855 0.009 . 2 . . . . 65 GLU HB2 . 15718 1 632 . 1 1 57 57 GLU HB3 H 1 1.950 0.011 . 2 . . . . 65 GLU HB3 . 15718 1 633 . 1 1 57 57 GLU HG2 H 1 2.144 0.013 . 2 . . . . 65 GLU HG2 . 15718 1 634 . 1 1 57 57 GLU HG3 H 1 2.145 0.013 . 2 . . . . 65 GLU HG3 . 15718 1 635 . 1 1 57 57 GLU C C 13 175.985 0.002 . 1 . . . . 65 GLU C . 15718 1 636 . 1 1 57 57 GLU CA C 13 54.917 0.012 . 1 . . . . 65 GLU CA . 15718 1 637 . 1 1 57 57 GLU CB C 13 33.847 0.023 . 1 . . . . 65 GLU CB . 15718 1 638 . 1 1 57 57 GLU CG C 13 35.575 0.006 . 1 . . . . 65 GLU CG . 15718 1 639 . 1 1 57 57 GLU N N 15 118.019 0.164 . 1 . . . . 65 GLU N . 15718 1 640 . 1 1 58 58 TRP H H 1 8.688 0.015 . 1 . . . . 66 TRP H . 15718 1 641 . 1 1 58 58 TRP HA H 1 4.839 0.013 . 1 . . . . 66 TRP HA . 15718 1 642 . 1 1 58 58 TRP HB2 H 1 3.007 0.012 . 2 . . . . 66 TRP HB2 . 15718 1 643 . 1 1 58 58 TRP HB3 H 1 3.238 0.010 . 2 . . . . 66 TRP HB3 . 15718 1 644 . 1 1 58 58 TRP HD1 H 1 7.229 0.012 . 1 . . . . 66 TRP HD1 . 15718 1 645 . 1 1 58 58 TRP HE1 H 1 10.056 0.003 . 1 . . . . 66 TRP HE1 . 15718 1 646 . 1 1 58 58 TRP HE3 H 1 7.426 0.021 . 1 . . . . 66 TRP HE3 . 15718 1 647 . 1 1 58 58 TRP HH2 H 1 6.840 0.010 . 1 . . . . 66 TRP HH2 . 15718 1 648 . 1 1 58 58 TRP HZ2 H 1 7.197 0.015 . 1 . . . . 66 TRP HZ2 . 15718 1 649 . 1 1 58 58 TRP HZ3 H 1 6.832 0.008 . 1 . . . . 66 TRP HZ3 . 15718 1 650 . 1 1 58 58 TRP C C 13 177.044 0.012 . 1 . . . . 66 TRP C . 15718 1 651 . 1 1 58 58 TRP CA C 13 57.910 0.058 . 1 . . . . 66 TRP CA . 15718 1 652 . 1 1 58 58 TRP CB C 13 30.305 0.027 . 1 . . . . 66 TRP CB . 15718 1 653 . 1 1 58 58 TRP CD1 C 13 128.351 0.018 . 1 . . . . 66 TRP CD1 . 15718 1 654 . 1 1 58 58 TRP CE3 C 13 120.565 0.060 . 1 . . . . 66 TRP CE3 . 15718 1 655 . 1 1 58 58 TRP CH2 C 13 123.606 0.004 . 1 . . . . 66 TRP CH2 . 15718 1 656 . 1 1 58 58 TRP CZ2 C 13 113.851 0.007 . 1 . . . . 66 TRP CZ2 . 15718 1 657 . 1 1 58 58 TRP CZ3 C 13 122.109 0.037 . 1 . . . . 66 TRP CZ3 . 15718 1 658 . 1 1 58 58 TRP N N 15 123.647 0.158 . 1 . . . . 66 TRP N . 15718 1 659 . 1 1 58 58 TRP NE1 N 15 128.932 0.1 . 1 . . . . 66 TRP NE1 . 15718 1 660 . 1 1 59 59 GLU H H 1 9.495 0.011 . 1 . . . . 67 GLU H . 15718 1 661 . 1 1 59 59 GLU HA H 1 4.480 0.007 . 1 . . . . 67 GLU HA . 15718 1 662 . 1 1 59 59 GLU HB2 H 1 1.768 0.024 . 2 . . . . 67 GLU HB2 . 15718 1 663 . 1 1 59 59 GLU HB3 H 1 1.797 0.008 . 2 . . . . 67 GLU HB3 . 15718 1 664 . 1 1 59 59 GLU HG2 H 1 2.197 0.020 . 2 . . . . 67 GLU HG2 . 15718 1 665 . 1 1 59 59 GLU HG3 H 1 2.205 0.009 . 2 . . . . 67 GLU HG3 . 15718 1 666 . 1 1 59 59 GLU C C 13 176.172 0.023 . 1 . . . . 67 GLU C . 15718 1 667 . 1 1 59 59 GLU CA C 13 56.849 0.013 . 1 . . . . 67 GLU CA . 15718 1 668 . 1 1 59 59 GLU CB C 13 31.429 0.110 . 1 . . . . 67 GLU CB . 15718 1 669 . 1 1 59 59 GLU CG C 13 35.531 0.003 . 1 . . . . 67 GLU CG . 15718 1 670 . 1 1 59 59 GLU N N 15 124.118 0.141 . 1 . . . . 67 GLU N . 15718 1 671 . 1 1 60 60 ASP H H 1 7.068 0.017 . 1 . . . . 68 ASP H . 15718 1 672 . 1 1 60 60 ASP HA H 1 4.783 0.009 . 1 . . . . 68 ASP HA . 15718 1 673 . 1 1 60 60 ASP HB2 H 1 2.396 0.010 . 2 . . . . 68 ASP HB2 . 15718 1 674 . 1 1 60 60 ASP HB3 H 1 2.913 0.008 . 2 . . . . 68 ASP HB3 . 15718 1 675 . 1 1 60 60 ASP C C 13 177.099 0.010 . 1 . . . . 68 ASP C . 15718 1 676 . 1 1 60 60 ASP CA C 13 53.600 0.017 . 1 . . . . 68 ASP CA . 15718 1 677 . 1 1 60 60 ASP CB C 13 43.396 0.025 . 1 . . . . 68 ASP CB . 15718 1 678 . 1 1 60 60 ASP N N 15 117.194 0.144 . 1 . . . . 68 ASP N . 15718 1 679 . 1 1 61 61 ASP H H 1 8.866 0.012 . 1 . . . . 69 ASP H . 15718 1 680 . 1 1 61 61 ASP HA H 1 4.264 0.005 . 1 . . . . 69 ASP HA . 15718 1 681 . 1 1 61 61 ASP HB2 H 1 2.638 0.009 . 2 . . . . 69 ASP HB2 . 15718 1 682 . 1 1 61 61 ASP HB3 H 1 2.646 0.004 . 2 . . . . 69 ASP HB3 . 15718 1 683 . 1 1 61 61 ASP C C 13 174.305 0.006 . 1 . . . . 69 ASP C . 15718 1 684 . 1 1 61 61 ASP CA C 13 55.488 0.044 . 1 . . . . 69 ASP CA . 15718 1 685 . 1 1 61 61 ASP CB C 13 40.831 0.003 . 1 . . . . 69 ASP CB . 15718 1 686 . 1 1 61 61 ASP N N 15 123.738 0.158 . 1 . . . . 69 ASP N . 15718 1 687 . 1 1 62 62 ALA H H 1 7.296 0.015 . 1 . . . . 70 ALA H . 15718 1 688 . 1 1 62 62 ALA HA H 1 4.168 0.010 . 1 . . . . 70 ALA HA . 15718 1 689 . 1 1 62 62 ALA HB1 H 1 1.245 0.008 . 1 . . . . 70 ALA HB1 . 15718 1 690 . 1 1 62 62 ALA HB2 H 1 1.245 0.008 . 1 . . . . 70 ALA HB2 . 15718 1 691 . 1 1 62 62 ALA HB3 H 1 1.245 0.008 . 1 . . . . 70 ALA HB3 . 15718 1 692 . 1 1 62 62 ALA C C 13 176.287 0.020 . 1 . . . . 70 ALA C . 15718 1 693 . 1 1 62 62 ALA CA C 13 50.591 0.051 . 1 . . . . 70 ALA CA . 15718 1 694 . 1 1 62 62 ALA CB C 13 22.135 0.073 . 1 . . . . 70 ALA CB . 15718 1 695 . 1 1 62 62 ALA N N 15 118.895 0.140 . 1 . . . . 70 ALA N . 15718 1 696 . 1 1 63 63 TRP H H 1 8.167 0.019 . 1 . . . . 71 TRP H . 15718 1 697 . 1 1 63 63 TRP HA H 1 4.156 0.008 . 1 . . . . 71 TRP HA . 15718 1 698 . 1 1 63 63 TRP HB2 H 1 2.784 0.009 . 2 . . . . 71 TRP HB2 . 15718 1 699 . 1 1 63 63 TRP HB3 H 1 2.795 0.008 . 2 . . . . 71 TRP HB3 . 15718 1 700 . 1 1 63 63 TRP HD1 H 1 6.964 0.009 . 1 . . . . 71 TRP HD1 . 15718 1 701 . 1 1 63 63 TRP HE1 H 1 9.579 0.001 . 1 . . . . 71 TRP HE1 . 15718 1 702 . 1 1 63 63 TRP HE3 H 1 6.978 0.011 . 1 . . . . 71 TRP HE3 . 15718 1 703 . 1 1 63 63 TRP HH2 H 1 6.831 0.006 . 1 . . . . 71 TRP HH2 . 15718 1 704 . 1 1 63 63 TRP HZ2 H 1 7.184 0.018 . 1 . . . . 71 TRP HZ2 . 15718 1 705 . 1 1 63 63 TRP HZ3 H 1 6.676 0.012 . 1 . . . . 71 TRP HZ3 . 15718 1 706 . 1 1 63 63 TRP C C 13 176.347 0.002 . 1 . . . . 71 TRP C . 15718 1 707 . 1 1 63 63 TRP CA C 13 58.118 0.036 . 1 . . . . 71 TRP CA . 15718 1 708 . 1 1 63 63 TRP CB C 13 29.229 0.002 . 1 . . . . 71 TRP CB . 15718 1 709 . 1 1 63 63 TRP CD1 C 13 126.037 0.028 . 1 . . . . 71 TRP CD1 . 15718 1 710 . 1 1 63 63 TRP CE3 C 13 120.181 0.020 . 1 . . . . 71 TRP CE3 . 15718 1 711 . 1 1 63 63 TRP CH2 C 13 124.573 0.012 . 1 . . . . 71 TRP CH2 . 15718 1 712 . 1 1 63 63 TRP CZ2 C 13 114.783 0.014 . 1 . . . . 71 TRP CZ2 . 15718 1 713 . 1 1 63 63 TRP CZ3 C 13 122.644 0.004 . 1 . . . . 71 TRP CZ3 . 15718 1 714 . 1 1 63 63 TRP N N 15 120.499 0.149 . 1 . . . . 71 TRP N . 15718 1 715 . 1 1 63 63 TRP NE1 N 15 128.016 0.009 . 1 . . . . 71 TRP NE1 . 15718 1 716 . 1 1 64 64 SER H H 1 8.770 0.012 . 1 . . . . 72 SER H . 15718 1 717 . 1 1 64 64 SER HA H 1 4.640 0.007 . 1 . . . . 72 SER HA . 15718 1 718 . 1 1 64 64 SER HB2 H 1 3.590 0.008 . 1 . . . . 72 SER HB2 . 15718 1 719 . 1 1 64 64 SER HB3 H 1 3.591 0.008 . 1 . . . . 72 SER HB3 . 15718 1 720 . 1 1 64 64 SER C C 13 172.971 0.020 . 1 . . . . 72 SER C . 15718 1 721 . 1 1 64 64 SER CA C 13 56.919 0.021 . 1 . . . . 72 SER CA . 15718 1 722 . 1 1 64 64 SER CB C 13 65.717 0.064 . 1 . . . . 72 SER CB . 15718 1 723 . 1 1 64 64 SER N N 15 117.419 0.119 . 1 . . . . 72 SER N . 15718 1 724 . 1 1 65 65 TYR H H 1 7.718 0.015 . 1 . . . . 73 TYR H . 15718 1 725 . 1 1 65 65 TYR HA H 1 5.192 0.011 . 1 . . . . 73 TYR HA . 15718 1 726 . 1 1 65 65 TYR HB2 H 1 2.488 0.007 . 2 . . . . 73 TYR HB2 . 15718 1 727 . 1 1 65 65 TYR HB3 H 1 2.622 0.009 . 2 . . . . 73 TYR HB3 . 15718 1 728 . 1 1 65 65 TYR HD1 H 1 6.668 0.011 . 3 . . . . 73 TYR HD1 . 15718 1 729 . 1 1 65 65 TYR HD2 H 1 6.668 0.011 . 3 . . . . 73 TYR HD2 . 15718 1 730 . 1 1 65 65 TYR HE1 H 1 6.575 0.009 . 3 . . . . 73 TYR HE1 . 15718 1 731 . 1 1 65 65 TYR HE2 H 1 6.575 0.009 . 3 . . . . 73 TYR HE2 . 15718 1 732 . 1 1 65 65 TYR C C 13 175.749 0.007 . 1 . . . . 73 TYR C . 15718 1 733 . 1 1 65 65 TYR CA C 13 55.691 0.038 . 1 . . . . 73 TYR CA . 15718 1 734 . 1 1 65 65 TYR CB C 13 39.874 4.882 . 1 . . . . 73 TYR CB . 15718 1 735 . 1 1 65 65 TYR CD1 C 13 132.844 0.012 . 3 . . . . 73 TYR CD1 . 15718 1 736 . 1 1 65 65 TYR CD2 C 13 132.844 0.012 . 3 . . . . 73 TYR CD2 . 15718 1 737 . 1 1 65 65 TYR CE1 C 13 117.883 0.018 . 3 . . . . 73 TYR CE1 . 15718 1 738 . 1 1 65 65 TYR CE2 C 13 117.883 0.018 . 3 . . . . 73 TYR CE2 . 15718 1 739 . 1 1 65 65 TYR N N 15 117.240 0.139 . 1 . . . . 73 TYR N . 15718 1 740 . 1 1 66 66 ASP H H 1 8.790 0.015 . 1 . . . . 74 ASP H . 15718 1 741 . 1 1 66 66 ASP HA H 1 4.655 0.006 . 1 . . . . 74 ASP HA . 15718 1 742 . 1 1 66 66 ASP HB2 H 1 2.340 0.009 . 2 . . . . 74 ASP HB2 . 15718 1 743 . 1 1 66 66 ASP HB3 H 1 2.629 0.007 . 2 . . . . 74 ASP HB3 . 15718 1 744 . 1 1 66 66 ASP C C 13 176.359 0.4 . 1 . . . . 74 ASP C . 15718 1 745 . 1 1 66 66 ASP CA C 13 53.162 0.013 . 1 . . . . 74 ASP CA . 15718 1 746 . 1 1 66 66 ASP CB C 13 41.976 0.022 . 1 . . . . 74 ASP CB . 15718 1 747 . 1 1 66 66 ASP N N 15 122.572 0.140 . 1 . . . . 74 ASP N . 15718 1 748 . 1 1 67 67 ILE H H 1 8.196 0.011 . 1 . . . . 75 ILE H . 15718 1 749 . 1 1 67 67 ILE HA H 1 4.335 0.006 . 1 . . . . 75 ILE HA . 15718 1 750 . 1 1 67 67 ILE HB H 1 2.163 0.010 . 1 . . . . 75 ILE HB . 15718 1 751 . 1 1 67 67 ILE HD11 H 1 0.831 0.014 . 1 . . . . 75 ILE HD11 . 15718 1 752 . 1 1 67 67 ILE HD12 H 1 0.831 0.014 . 1 . . . . 75 ILE HD12 . 15718 1 753 . 1 1 67 67 ILE HD13 H 1 0.831 0.014 . 1 . . . . 75 ILE HD13 . 15718 1 754 . 1 1 67 67 ILE HG12 H 1 1.165 0.006 . 2 . . . . 75 ILE HG12 . 15718 1 755 . 1 1 67 67 ILE HG13 H 1 1.278 0.006 . 2 . . . . 75 ILE HG13 . 15718 1 756 . 1 1 67 67 ILE HG21 H 1 0.850 0.007 . 1 . . . . 75 ILE HG21 . 15718 1 757 . 1 1 67 67 ILE HG22 H 1 0.850 0.007 . 1 . . . . 75 ILE HG22 . 15718 1 758 . 1 1 67 67 ILE HG23 H 1 0.850 0.007 . 1 . . . . 75 ILE HG23 . 15718 1 759 . 1 1 67 67 ILE C C 13 176.526 0.4 . 1 . . . . 75 ILE C . 15718 1 760 . 1 1 67 67 ILE CA C 13 60.418 0.013 . 1 . . . . 75 ILE CA . 15718 1 761 . 1 1 67 67 ILE CB C 13 37.748 0.002 . 1 . . . . 75 ILE CB . 15718 1 762 . 1 1 67 67 ILE CD1 C 13 13.906 0.004 . 1 . . . . 75 ILE CD1 . 15718 1 763 . 1 1 67 67 ILE CG1 C 13 26.910 0.4 . 1 . . . . 75 ILE CG1 . 15718 1 764 . 1 1 67 67 ILE CG2 C 13 18.674 0.014 . 1 . . . . 75 ILE CG2 . 15718 1 765 . 1 1 67 67 ILE N N 15 120.563 0.143 . 1 . . . . 75 ILE N . 15718 1 766 . 1 1 68 68 ASN H H 1 8.383 0.008 . 1 . . . . 76 ASN H . 15718 1 767 . 1 1 68 68 ASN HA H 1 4.998 0.010 . 1 . . . . 76 ASN HA . 15718 1 768 . 1 1 68 68 ASN HB2 H 1 2.739 0.008 . 2 . . . . 76 ASN HB2 . 15718 1 769 . 1 1 68 68 ASN HB3 H 1 2.921 0.010 . 2 . . . . 76 ASN HB3 . 15718 1 770 . 1 1 68 68 ASN HD21 H 1 6.811 0.002 . 1 . . . . 76 ASN HD21 . 15718 1 771 . 1 1 68 68 ASN HD22 H 1 7.581 0.001 . 1 . . . . 76 ASN HD22 . 15718 1 772 . 1 1 68 68 ASN C C 13 175.129 0.009 . 1 . . . . 76 ASN C . 15718 1 773 . 1 1 68 68 ASN CA C 13 52.612 0.014 . 1 . . . . 76 ASN CA . 15718 1 774 . 1 1 68 68 ASN CB C 13 37.551 0.013 . 1 . . . . 76 ASN CB . 15718 1 775 . 1 1 68 68 ASN N N 15 125.841 0.042 . 1 . . . . 76 ASN N . 15718 1 776 . 1 1 68 68 ASN ND2 N 15 113.629 0.018 . 1 . . . . 76 ASN ND2 . 15718 1 777 . 1 1 69 69 ARG H H 1 7.934 0.014 . 1 . . . . 77 ARG H . 15718 1 778 . 1 1 69 69 ARG HA H 1 4.487 0.005 . 1 . . . . 77 ARG HA . 15718 1 779 . 1 1 69 69 ARG HB2 H 1 1.576 0.004 . 2 . . . . 77 ARG HB2 . 15718 1 780 . 1 1 69 69 ARG HB3 H 1 1.959 0.003 . 2 . . . . 77 ARG HB3 . 15718 1 781 . 1 1 69 69 ARG HD2 H 1 3.104 0.006 . 2 . . . . 77 ARG HD2 . 15718 1 782 . 1 1 69 69 ARG HD3 H 1 3.113 0.005 . 2 . . . . 77 ARG HD3 . 15718 1 783 . 1 1 69 69 ARG HE H 1 7.234 0.000 . 1 . . . . 77 ARG HE . 15718 1 784 . 1 1 69 69 ARG HG2 H 1 1.275 0.009 . 2 . . . . 77 ARG HG2 . 15718 1 785 . 1 1 69 69 ARG HG3 H 1 1.280 0.008 . 2 . . . . 77 ARG HG3 . 15718 1 786 . 1 1 69 69 ARG C C 13 174.542 0.015 . 1 . . . . 77 ARG C . 15718 1 787 . 1 1 69 69 ARG CA C 13 55.404 0.039 . 1 . . . . 77 ARG CA . 15718 1 788 . 1 1 69 69 ARG CB C 13 32.483 0.018 . 1 . . . . 77 ARG CB . 15718 1 789 . 1 1 69 69 ARG CD C 13 43.667 0.4 . 1 . . . . 77 ARG CD . 15718 1 790 . 1 1 69 69 ARG CG C 13 27.717 0.004 . 1 . . . . 77 ARG CG . 15718 1 791 . 1 1 69 69 ARG N N 15 117.091 0.154 . 1 . . . . 77 ARG N . 15718 1 792 . 1 1 69 69 ARG NE N 15 83.984 0.1 . 1 . . . . 77 ARG NE . 15718 1 793 . 1 1 70 70 ALA H H 1 8.371 0.007 . 1 . . . . 78 ALA H . 15718 1 794 . 1 1 70 70 ALA HA H 1 4.691 0.009 . 1 . . . . 78 ALA HA . 15718 1 795 . 1 1 70 70 ALA HB1 H 1 1.366 0.007 . 1 . . . . 78 ALA HB1 . 15718 1 796 . 1 1 70 70 ALA HB2 H 1 1.366 0.007 . 1 . . . . 78 ALA HB2 . 15718 1 797 . 1 1 70 70 ALA HB3 H 1 1.366 0.007 . 1 . . . . 78 ALA HB3 . 15718 1 798 . 1 1 70 70 ALA C C 13 174.785 0.016 . 1 . . . . 78 ALA C . 15718 1 799 . 1 1 70 70 ALA CA C 13 51.889 0.066 . 1 . . . . 78 ALA CA . 15718 1 800 . 1 1 70 70 ALA CB C 13 16.696 0.072 . 1 . . . . 78 ALA CB . 15718 1 801 . 1 1 70 70 ALA N N 15 125.443 0.075 . 1 . . . . 78 ALA N . 15718 1 802 . 1 1 71 71 VAL H H 1 7.447 0.015 . 1 . . . . 79 VAL H . 15718 1 803 . 1 1 71 71 VAL HA H 1 4.893 0.009 . 1 . . . . 79 VAL HA . 15718 1 804 . 1 1 71 71 VAL HB H 1 1.884 0.010 . 1 . . . . 79 VAL HB . 15718 1 805 . 1 1 71 71 VAL HG11 H 1 0.655 0.007 . 2 . . . . 79 VAL HG11 . 15718 1 806 . 1 1 71 71 VAL HG12 H 1 0.655 0.007 . 2 . . . . 79 VAL HG12 . 15718 1 807 . 1 1 71 71 VAL HG13 H 1 0.655 0.007 . 2 . . . . 79 VAL HG13 . 15718 1 808 . 1 1 71 71 VAL HG21 H 1 0.880 0.013 . 2 . . . . 79 VAL HG21 . 15718 1 809 . 1 1 71 71 VAL HG22 H 1 0.880 0.013 . 2 . . . . 79 VAL HG22 . 15718 1 810 . 1 1 71 71 VAL HG23 H 1 0.880 0.013 . 2 . . . . 79 VAL HG23 . 15718 1 811 . 1 1 71 71 VAL C C 13 175.870 0.010 . 1 . . . . 79 VAL C . 15718 1 812 . 1 1 71 71 VAL CA C 13 58.411 0.060 . 1 . . . . 79 VAL CA . 15718 1 813 . 1 1 71 71 VAL CB C 13 37.433 0.028 . 1 . . . . 79 VAL CB . 15718 1 814 . 1 1 71 71 VAL CG1 C 13 18.402 0.020 . 2 . . . . 79 VAL CG1 . 15718 1 815 . 1 1 71 71 VAL CG2 C 13 23.499 0.010 . 2 . . . . 79 VAL CG2 . 15718 1 816 . 1 1 71 71 VAL N N 15 114.593 0.148 . 1 . . . . 79 VAL N . 15718 1 817 . 1 1 72 72 ASP H H 1 9.357 0.013 . 1 . . . . 80 ASP H . 15718 1 818 . 1 1 72 72 ASP HA H 1 4.790 0.007 . 1 . . . . 80 ASP HA . 15718 1 819 . 1 1 72 72 ASP HB2 H 1 3.420 0.008 . 2 . . . . 80 ASP HB2 . 15718 1 820 . 1 1 72 72 ASP HB3 H 1 3.579 0.008 . 2 . . . . 80 ASP HB3 . 15718 1 821 . 1 1 72 72 ASP C C 13 178.239 0.006 . 1 . . . . 80 ASP C . 15718 1 822 . 1 1 72 72 ASP CA C 13 52.871 0.012 . 1 . . . . 80 ASP CA . 15718 1 823 . 1 1 72 72 ASP CB C 13 41.491 0.018 . 1 . . . . 80 ASP CB . 15718 1 824 . 1 1 72 72 ASP N N 15 121.938 0.147 . 1 . . . . 80 ASP N . 15718 1 825 . 1 1 73 73 GLU H H 1 8.671 0.016 . 1 . . . . 81 GLU H . 15718 1 826 . 1 1 73 73 GLU HA H 1 4.184 0.007 . 1 . . . . 81 GLU HA . 15718 1 827 . 1 1 73 73 GLU HB2 H 1 2.159 0.009 . 2 . . . . 81 GLU HB2 . 15718 1 828 . 1 1 73 73 GLU HB3 H 1 2.160 0.007 . 2 . . . . 81 GLU HB3 . 15718 1 829 . 1 1 73 73 GLU HG2 H 1 2.387 0.007 . 2 . . . . 81 GLU HG2 . 15718 1 830 . 1 1 73 73 GLU HG3 H 1 2.390 0.009 . 2 . . . . 81 GLU HG3 . 15718 1 831 . 1 1 73 73 GLU C C 13 177.393 0.009 . 1 . . . . 81 GLU C . 15718 1 832 . 1 1 73 73 GLU CA C 13 59.188 0.021 . 1 . . . . 81 GLU CA . 15718 1 833 . 1 1 73 73 GLU CB C 13 29.386 0.030 . 1 . . . . 81 GLU CB . 15718 1 834 . 1 1 73 73 GLU CG C 13 36.289 0.4 . 1 . . . . 81 GLU CG . 15718 1 835 . 1 1 73 73 GLU N N 15 114.747 0.141 . 1 . . . . 81 GLU N . 15718 1 836 . 1 1 74 74 LYS H H 1 8.047 0.014 . 1 . . . . 82 LYS H . 15718 1 837 . 1 1 74 74 LYS HA H 1 4.311 0.009 . 1 . . . . 82 LYS HA . 15718 1 838 . 1 1 74 74 LYS HB2 H 1 1.767 0.006 . 2 . . . . 82 LYS HB2 . 15718 1 839 . 1 1 74 74 LYS HB3 H 1 1.850 0.004 . 2 . . . . 82 LYS HB3 . 15718 1 840 . 1 1 74 74 LYS HD2 H 1 1.660 0.010 . 1 . . . . 82 LYS HD2 . 15718 1 841 . 1 1 74 74 LYS HD3 H 1 1.659 0.009 . 1 . . . . 82 LYS HD3 . 15718 1 842 . 1 1 74 74 LYS HE2 H 1 3.013 0.007 . 1 . . . . 82 LYS HE2 . 15718 1 843 . 1 1 74 74 LYS HE3 H 1 3.013 0.007 . 1 . . . . 82 LYS HE3 . 15718 1 844 . 1 1 74 74 LYS HG2 H 1 1.356 0.003 . 2 . . . . 82 LYS HG2 . 15718 1 845 . 1 1 74 74 LYS HG3 H 1 1.481 0.007 . 2 . . . . 82 LYS HG3 . 15718 1 846 . 1 1 74 74 LYS C C 13 174.417 0.013 . 1 . . . . 82 LYS C . 15718 1 847 . 1 1 74 74 LYS CA C 13 54.767 0.028 . 1 . . . . 82 LYS CA . 15718 1 848 . 1 1 74 74 LYS CB C 13 32.942 0.024 . 1 . . . . 82 LYS CB . 15718 1 849 . 1 1 74 74 LYS CD C 13 28.958 0.4 . 1 . . . . 82 LYS CD . 15718 1 850 . 1 1 74 74 LYS CE C 13 42.434 0.008 . 1 . . . . 82 LYS CE . 15718 1 851 . 1 1 74 74 LYS CG C 13 25.626 0.007 . 1 . . . . 82 LYS CG . 15718 1 852 . 1 1 74 74 LYS N N 15 118.190 0.184 . 1 . . . . 82 LYS N . 15718 1 853 . 1 1 75 75 GLY H H 1 8.077 0.015 . 1 . . . . 83 GLY H . 15718 1 854 . 1 1 75 75 GLY HA2 H 1 3.315 0.019 . 2 . . . . 83 GLY HA2 . 15718 1 855 . 1 1 75 75 GLY HA3 H 1 3.374 0.009 . 2 . . . . 83 GLY HA3 . 15718 1 856 . 1 1 75 75 GLY C C 13 172.661 0.025 . 1 . . . . 83 GLY C . 15718 1 857 . 1 1 75 75 GLY CA C 13 45.026 0.014 . 1 . . . . 83 GLY CA . 15718 1 858 . 1 1 75 75 GLY N N 15 105.677 0.132 . 1 . . . . 83 GLY N . 15718 1 859 . 1 1 76 76 TRP H H 1 7.912 0.015 . 1 . . . . 84 TRP H . 15718 1 860 . 1 1 76 76 TRP HA H 1 4.567 0.008 . 1 . . . . 84 TRP HA . 15718 1 861 . 1 1 76 76 TRP HB2 H 1 1.981 0.010 . 2 . . . . 84 TRP HB2 . 15718 1 862 . 1 1 76 76 TRP HB3 H 1 2.951 0.009 . 2 . . . . 84 TRP HB3 . 15718 1 863 . 1 1 76 76 TRP HD1 H 1 7.227 0.010 . 1 . . . . 84 TRP HD1 . 15718 1 864 . 1 1 76 76 TRP HE1 H 1 9.652 0.003 . 1 . . . . 84 TRP HE1 . 15718 1 865 . 1 1 76 76 TRP HE3 H 1 6.583 0.015 . 1 . . . . 84 TRP HE3 . 15718 1 866 . 1 1 76 76 TRP HH2 H 1 6.470 0.010 . 1 . . . . 84 TRP HH2 . 15718 1 867 . 1 1 76 76 TRP HZ2 H 1 6.916 0.005 . 1 . . . . 84 TRP HZ2 . 15718 1 868 . 1 1 76 76 TRP HZ3 H 1 6.522 0.019 . 1 . . . . 84 TRP HZ3 . 15718 1 869 . 1 1 76 76 TRP C C 13 175.205 0.012 . 1 . . . . 84 TRP C . 15718 1 870 . 1 1 76 76 TRP CA C 13 56.648 0.026 . 1 . . . . 84 TRP CA . 15718 1 871 . 1 1 76 76 TRP CB C 13 31.597 0.046 . 1 . . . . 84 TRP CB . 15718 1 872 . 1 1 76 76 TRP CD1 C 13 129.602 0.024 . 1 . . . . 84 TRP CD1 . 15718 1 873 . 1 1 76 76 TRP CE3 C 13 118.831 0.003 . 1 . . . . 84 TRP CE3 . 15718 1 874 . 1 1 76 76 TRP CH2 C 13 123.143 0.005 . 1 . . . . 84 TRP CH2 . 15718 1 875 . 1 1 76 76 TRP CZ2 C 13 114.199 0.003 . 1 . . . . 84 TRP CZ2 . 15718 1 876 . 1 1 76 76 TRP CZ3 C 13 120.609 0.006 . 1 . . . . 84 TRP CZ3 . 15718 1 877 . 1 1 76 76 TRP N N 15 121.209 0.176 . 1 . . . . 84 TRP N . 15718 1 878 . 1 1 76 76 TRP NE1 N 15 127.890 0.030 . 1 . . . . 84 TRP NE1 . 15718 1 879 . 1 1 77 77 GLU H H 1 8.728 0.014 . 1 . . . . 85 GLU H . 15718 1 880 . 1 1 77 77 GLU HA H 1 5.373 0.010 . 1 . . . . 85 GLU HA . 15718 1 881 . 1 1 77 77 GLU HB2 H 1 2.069 0.013 . 2 . . . . 85 GLU HB2 . 15718 1 882 . 1 1 77 77 GLU HB3 H 1 2.219 0.009 . 2 . . . . 85 GLU HB3 . 15718 1 883 . 1 1 77 77 GLU HG2 H 1 1.788 0.011 . 2 . . . . 85 GLU HG2 . 15718 1 884 . 1 1 77 77 GLU HG3 H 1 2.070 0.015 . 2 . . . . 85 GLU HG3 . 15718 1 885 . 1 1 77 77 GLU C C 13 175.893 0.025 . 1 . . . . 85 GLU C . 15718 1 886 . 1 1 77 77 GLU CA C 13 53.640 0.026 . 1 . . . . 85 GLU CA . 15718 1 887 . 1 1 77 77 GLU CB C 13 32.274 0.006 . 1 . . . . 85 GLU CB . 15718 1 888 . 1 1 77 77 GLU CG C 13 34.337 0.001 . 1 . . . . 85 GLU CG . 15718 1 889 . 1 1 77 77 GLU N N 15 116.135 0.168 . 1 . . . . 85 GLU N . 15718 1 890 . 1 1 78 78 TYR H H 1 9.679 0.013 . 1 . . . . 86 TYR H . 15718 1 891 . 1 1 78 78 TYR HA H 1 5.063 0.008 . 1 . . . . 86 TYR HA . 15718 1 892 . 1 1 78 78 TYR HB2 H 1 1.962 0.006 . 2 . . . . 86 TYR HB2 . 15718 1 893 . 1 1 78 78 TYR HB3 H 1 1.964 0.008 . 2 . . . . 86 TYR HB3 . 15718 1 894 . 1 1 78 78 TYR HD1 H 1 6.759 0.009 . 3 . . . . 86 TYR HD1 . 15718 1 895 . 1 1 78 78 TYR HD2 H 1 6.759 0.009 . 3 . . . . 86 TYR HD2 . 15718 1 896 . 1 1 78 78 TYR HE1 H 1 6.607 0.014 . 3 . . . . 86 TYR HE1 . 15718 1 897 . 1 1 78 78 TYR HE2 H 1 6.607 0.014 . 3 . . . . 86 TYR HE2 . 15718 1 898 . 1 1 78 78 TYR C C 13 176.000 0.002 . 1 . . . . 86 TYR C . 15718 1 899 . 1 1 78 78 TYR CA C 13 59.943 0.028 . 1 . . . . 86 TYR CA . 15718 1 900 . 1 1 78 78 TYR CB C 13 42.477 0.001 . 1 . . . . 86 TYR CB . 15718 1 901 . 1 1 78 78 TYR CD1 C 13 133.258 0.002 . 3 . . . . 86 TYR CD1 . 15718 1 902 . 1 1 78 78 TYR CD2 C 13 133.258 0.002 . 3 . . . . 86 TYR CD2 . 15718 1 903 . 1 1 78 78 TYR CE1 C 13 118.534 0.006 . 3 . . . . 86 TYR CE1 . 15718 1 904 . 1 1 78 78 TYR CE2 C 13 118.534 0.006 . 3 . . . . 86 TYR CE2 . 15718 1 905 . 1 1 78 78 TYR N N 15 118.377 0.158 . 1 . . . . 86 TYR N . 15718 1 906 . 1 1 79 79 GLY H H 1 9.223 0.016 . 1 . . . . 87 GLY H . 15718 1 907 . 1 1 79 79 GLY HA2 H 1 3.058 0.011 . 2 . . . . 87 GLY HA2 . 15718 1 908 . 1 1 79 79 GLY HA3 H 1 4.624 0.007 . 2 . . . . 87 GLY HA3 . 15718 1 909 . 1 1 79 79 GLY C C 13 171.731 0.018 . 1 . . . . 87 GLY C . 15718 1 910 . 1 1 79 79 GLY CA C 13 45.033 0.013 . 1 . . . . 87 GLY CA . 15718 1 911 . 1 1 79 79 GLY N N 15 107.044 0.174 . 1 . . . . 87 GLY N . 15718 1 912 . 1 1 80 80 ILE H H 1 8.658 0.010 . 1 . . . . 88 ILE H . 15718 1 913 . 1 1 80 80 ILE HA H 1 5.066 0.006 . 1 . . . . 88 ILE HA . 15718 1 914 . 1 1 80 80 ILE HB H 1 1.955 0.006 . 1 . . . . 88 ILE HB . 15718 1 915 . 1 1 80 80 ILE HD11 H 1 0.902 0.006 . 1 . . . . 88 ILE HD11 . 15718 1 916 . 1 1 80 80 ILE HD12 H 1 0.902 0.006 . 1 . . . . 88 ILE HD12 . 15718 1 917 . 1 1 80 80 ILE HD13 H 1 0.902 0.006 . 1 . . . . 88 ILE HD13 . 15718 1 918 . 1 1 80 80 ILE HG12 H 1 1.151 0.004 . 2 . . . . 88 ILE HG12 . 15718 1 919 . 1 1 80 80 ILE HG13 H 1 1.630 0.006 . 2 . . . . 88 ILE HG13 . 15718 1 920 . 1 1 80 80 ILE HG21 H 1 1.161 0.008 . 1 . . . . 88 ILE HG21 . 15718 1 921 . 1 1 80 80 ILE HG22 H 1 1.161 0.008 . 1 . . . . 88 ILE HG22 . 15718 1 922 . 1 1 80 80 ILE HG23 H 1 1.161 0.008 . 1 . . . . 88 ILE HG23 . 15718 1 923 . 1 1 80 80 ILE C C 13 174.043 0.016 . 1 . . . . 88 ILE C . 15718 1 924 . 1 1 80 80 ILE CA C 13 59.690 0.059 . 1 . . . . 88 ILE CA . 15718 1 925 . 1 1 80 80 ILE CB C 13 42.657 0.018 . 1 . . . . 88 ILE CB . 15718 1 926 . 1 1 80 80 ILE CD1 C 13 14.413 0.012 . 1 . . . . 88 ILE CD1 . 15718 1 927 . 1 1 80 80 ILE CG1 C 13 27.773 0.002 . 1 . . . . 88 ILE CG1 . 15718 1 928 . 1 1 80 80 ILE CG2 C 13 17.972 0.011 . 1 . . . . 88 ILE CG2 . 15718 1 929 . 1 1 80 80 ILE N N 15 116.889 0.100 . 1 . . . . 88 ILE N . 15718 1 930 . 1 1 81 81 THR H H 1 8.036 0.023 . 1 . . . . 89 THR H . 15718 1 931 . 1 1 81 81 THR HA H 1 3.901 0.009 . 1 . . . . 89 THR HA . 15718 1 932 . 1 1 81 81 THR HB H 1 3.799 0.009 . 1 . . . . 89 THR HB . 15718 1 933 . 1 1 81 81 THR HG21 H 1 0.558 0.008 . 1 . . . . 89 THR HG21 . 15718 1 934 . 1 1 81 81 THR HG22 H 1 0.558 0.008 . 1 . . . . 89 THR HG22 . 15718 1 935 . 1 1 81 81 THR HG23 H 1 0.558 0.008 . 1 . . . . 89 THR HG23 . 15718 1 936 . 1 1 81 81 THR C C 13 173.630 0.023 . 1 . . . . 89 THR C . 15718 1 937 . 1 1 81 81 THR CA C 13 61.663 0.067 . 1 . . . . 89 THR CA . 15718 1 938 . 1 1 81 81 THR CB C 13 68.993 0.4 . 1 . . . . 89 THR CB . 15718 1 939 . 1 1 81 81 THR CG2 C 13 22.771 0.011 . 1 . . . . 89 THR CG2 . 15718 1 940 . 1 1 81 81 THR N N 15 119.592 0.095 . 1 . . . . 89 THR N . 15718 1 941 . 1 1 82 82 ILE H H 1 8.758 0.010 . 1 . . . . 90 ILE H . 15718 1 942 . 1 1 82 82 ILE HA H 1 4.484 0.006 . 1 . . . . 90 ILE HA . 15718 1 943 . 1 1 82 82 ILE HB H 1 1.781 0.005 . 1 . . . . 90 ILE HB . 15718 1 944 . 1 1 82 82 ILE HD11 H 1 0.792 0.006 . 1 . . . . 90 ILE HD11 . 15718 1 945 . 1 1 82 82 ILE HD12 H 1 0.792 0.006 . 1 . . . . 90 ILE HD12 . 15718 1 946 . 1 1 82 82 ILE HD13 H 1 0.792 0.006 . 1 . . . . 90 ILE HD13 . 15718 1 947 . 1 1 82 82 ILE HG12 H 1 1.028 0.003 . 2 . . . . 90 ILE HG12 . 15718 1 948 . 1 1 82 82 ILE HG13 H 1 1.426 0.007 . 2 . . . . 90 ILE HG13 . 15718 1 949 . 1 1 82 82 ILE HG21 H 1 0.912 0.018 . 1 . . . . 90 ILE HG21 . 15718 1 950 . 1 1 82 82 ILE HG22 H 1 0.912 0.018 . 1 . . . . 90 ILE HG22 . 15718 1 951 . 1 1 82 82 ILE HG23 H 1 0.912 0.018 . 1 . . . . 90 ILE HG23 . 15718 1 952 . 1 1 82 82 ILE C C 13 173.540 0.4 . 1 . . . . 90 ILE C . 15718 1 953 . 1 1 82 82 ILE CA C 13 57.623 0.011 . 1 . . . . 90 ILE CA . 15718 1 954 . 1 1 82 82 ILE CB C 13 38.977 0.4 . 1 . . . . 90 ILE CB . 15718 1 955 . 1 1 82 82 ILE CD1 C 13 12.600 0.4 . 1 . . . . 90 ILE CD1 . 15718 1 956 . 1 1 82 82 ILE CG1 C 13 27.049 0.001 . 1 . . . . 90 ILE CG1 . 15718 1 957 . 1 1 82 82 ILE CG2 C 13 16.763 0.4 . 1 . . . . 90 ILE CG2 . 15718 1 958 . 1 1 82 82 ILE N N 15 129.227 0.071 . 1 . . . . 90 ILE N . 15718 1 959 . 1 1 83 83 PRO HA H 1 4.481 0.008 . 1 . . . . 91 PRO HA . 15718 1 960 . 1 1 83 83 PRO HB2 H 1 1.766 0.008 . 2 . . . . 91 PRO HB2 . 15718 1 961 . 1 1 83 83 PRO HB3 H 1 2.337 0.008 . 2 . . . . 91 PRO HB3 . 15718 1 962 . 1 1 83 83 PRO HD2 H 1 3.679 0.004 . 2 . . . . 91 PRO HD2 . 15718 1 963 . 1 1 83 83 PRO HD3 H 1 3.920 0.003 . 2 . . . . 91 PRO HD3 . 15718 1 964 . 1 1 83 83 PRO HG2 H 1 1.958 0.003 . 2 . . . . 91 PRO HG2 . 15718 1 965 . 1 1 83 83 PRO HG3 H 1 2.091 0.006 . 2 . . . . 91 PRO HG3 . 15718 1 966 . 1 1 83 83 PRO CA C 13 62.315 0.041 . 1 . . . . 91 PRO CA . 15718 1 967 . 1 1 83 83 PRO CB C 13 30.804 0.4 . 1 . . . . 91 PRO CB . 15718 1 968 . 1 1 83 83 PRO CD C 13 51.480 0.4 . 1 . . . . 91 PRO CD . 15718 1 969 . 1 1 83 83 PRO CG C 13 27.739 0.4 . 1 . . . . 91 PRO CG . 15718 1 970 . 1 1 84 84 PRO HA H 1 4.480 0.003 . 1 . . . . 92 PRO HA . 15718 1 971 . 1 1 84 84 PRO HB2 H 1 2.126 0.006 . 2 . . . . 92 PRO HB2 . 15718 1 972 . 1 1 84 84 PRO HB3 H 1 2.362 0.007 . 2 . . . . 92 PRO HB3 . 15718 1 973 . 1 1 84 84 PRO HD2 H 1 3.470 0.006 . 2 . . . . 92 PRO HD2 . 15718 1 974 . 1 1 84 84 PRO HD3 H 1 3.471 0.007 . 2 . . . . 92 PRO HD3 . 15718 1 975 . 1 1 84 84 PRO HG2 H 1 1.682 0.003 . 2 . . . . 92 PRO HG2 . 15718 1 976 . 1 1 84 84 PRO HG3 H 1 1.935 0.002 . 2 . . . . 92 PRO HG3 . 15718 1 977 . 1 1 84 84 PRO C C 13 176.106 0.4 . 1 . . . . 92 PRO C . 15718 1 978 . 1 1 84 84 PRO CA C 13 64.158 0.049 . 1 . . . . 92 PRO CA . 15718 1 979 . 1 1 84 84 PRO CB C 13 33.631 0.4 . 1 . . . . 92 PRO CB . 15718 1 980 . 1 1 84 84 PRO CD C 13 49.745 0.099 . 1 . . . . 92 PRO CD . 15718 1 981 . 1 1 84 84 PRO CG C 13 24.384 0.001 . 1 . . . . 92 PRO CG . 15718 1 982 . 1 1 85 85 ASP H H 1 8.420 0.015 . 1 . . . . 93 ASP H . 15718 1 983 . 1 1 85 85 ASP HA H 1 4.472 0.004 . 1 . . . . 93 ASP HA . 15718 1 984 . 1 1 85 85 ASP HB2 H 1 2.804 0.010 . 2 . . . . 93 ASP HB2 . 15718 1 985 . 1 1 85 85 ASP HB3 H 1 2.805 0.011 . 2 . . . . 93 ASP HB3 . 15718 1 986 . 1 1 85 85 ASP C C 13 175.331 0.4 . 1 . . . . 93 ASP C . 15718 1 987 . 1 1 85 85 ASP CA C 13 55.558 0.020 . 1 . . . . 93 ASP CA . 15718 1 988 . 1 1 85 85 ASP CB C 13 41.669 0.011 . 1 . . . . 93 ASP CB . 15718 1 989 . 1 1 85 85 ASP N N 15 126.320 0.026 . 1 . . . . 93 ASP N . 15718 1 990 . 1 1 86 86 HIS H H 1 8.790 0.008 . 1 . . . . 94 HIS H . 15718 1 991 . 1 1 86 86 HIS HA H 1 4.693 0.009 . 1 . . . . 94 HIS HA . 15718 1 992 . 1 1 86 86 HIS HB2 H 1 3.140 0.012 . 2 . . . . 94 HIS HB2 . 15718 1 993 . 1 1 86 86 HIS HB3 H 1 3.348 0.001 . 2 . . . . 94 HIS HB3 . 15718 1 994 . 1 1 86 86 HIS HD2 H 1 7.247 0.005 . 1 . . . . 94 HIS HD2 . 15718 1 995 . 1 1 86 86 HIS HE1 H 1 8.440 0.001 . 1 . . . . 94 HIS HE1 . 15718 1 996 . 1 1 86 86 HIS C C 13 174.042 0.003 . 1 . . . . 94 HIS C . 15718 1 997 . 1 1 86 86 HIS CA C 13 55.627 0.039 . 1 . . . . 94 HIS CA . 15718 1 998 . 1 1 86 86 HIS CB C 13 30.159 0.4 . 1 . . . . 94 HIS CB . 15718 1 999 . 1 1 86 86 HIS CD2 C 13 119.760 0.006 . 1 . . . . 94 HIS CD2 . 15718 1 1000 . 1 1 86 86 HIS CE1 C 13 136.906 0.002 . 1 . . . . 94 HIS CE1 . 15718 1 1001 . 1 1 86 86 HIS N N 15 115.778 0.024 . 1 . . . . 94 HIS N . 15718 1 1002 . 1 1 87 87 LYS H H 1 7.480 0.008 . 1 . . . . 95 LYS H . 15718 1 1003 . 1 1 87 87 LYS HA H 1 4.497 0.006 . 1 . . . . 95 LYS HA . 15718 1 1004 . 1 1 87 87 LYS HB2 H 1 1.589 0.007 . 2 . . . . 95 LYS HB2 . 15718 1 1005 . 1 1 87 87 LYS HB3 H 1 1.749 0.003 . 2 . . . . 95 LYS HB3 . 15718 1 1006 . 1 1 87 87 LYS HD2 H 1 1.655 0.009 . 1 . . . . 95 LYS HD2 . 15718 1 1007 . 1 1 87 87 LYS HD3 H 1 1.655 0.009 . 1 . . . . 95 LYS HD3 . 15718 1 1008 . 1 1 87 87 LYS HE2 H 1 2.966 0.000 . 1 . . . . 95 LYS HE2 . 15718 1 1009 . 1 1 87 87 LYS HE3 H 1 2.966 0.000 . 1 . . . . 95 LYS HE3 . 15718 1 1010 . 1 1 87 87 LYS HG2 H 1 1.178 0.004 . 2 . . . . 95 LYS HG2 . 15718 1 1011 . 1 1 87 87 LYS HG3 H 1 1.257 0.004 . 2 . . . . 95 LYS HG3 . 15718 1 1012 . 1 1 87 87 LYS C C 13 173.420 0.4 . 1 . . . . 95 LYS C . 15718 1 1013 . 1 1 87 87 LYS CA C 13 53.609 0.009 . 1 . . . . 95 LYS CA . 15718 1 1014 . 1 1 87 87 LYS CB C 13 33.391 0.4 . 1 . . . . 95 LYS CB . 15718 1 1015 . 1 1 87 87 LYS CD C 13 29.619 0.053 . 1 . . . . 95 LYS CD . 15718 1 1016 . 1 1 87 87 LYS CE C 13 42.356 0.4 . 1 . . . . 95 LYS CE . 15718 1 1017 . 1 1 87 87 LYS CG C 13 24.052 0.002 . 1 . . . . 95 LYS CG . 15718 1 1018 . 1 1 87 87 LYS N N 15 119.043 0.179 . 1 . . . . 95 LYS N . 15718 1 1019 . 1 1 88 88 PRO HA H 1 4.182 0.012 . 1 . . . . 96 PRO HA . 15718 1 1020 . 1 1 88 88 PRO HB2 H 1 0.305 0.007 . 2 . . . . 96 PRO HB2 . 15718 1 1021 . 1 1 88 88 PRO HB3 H 1 1.486 0.010 . 2 . . . . 96 PRO HB3 . 15718 1 1022 . 1 1 88 88 PRO HD2 H 1 2.925 0.004 . 2 . . . . 96 PRO HD2 . 15718 1 1023 . 1 1 88 88 PRO HD3 H 1 3.060 0.003 . 2 . . . . 96 PRO HD3 . 15718 1 1024 . 1 1 88 88 PRO HG2 H 1 0.796 0.006 . 2 . . . . 96 PRO HG2 . 15718 1 1025 . 1 1 88 88 PRO HG3 H 1 0.903 0.010 . 2 . . . . 96 PRO HG3 . 15718 1 1026 . 1 1 88 88 PRO C C 13 175.952 0.4 . 1 . . . . 96 PRO C . 15718 1 1027 . 1 1 88 88 PRO CA C 13 62.814 0.036 . 1 . . . . 96 PRO CA . 15718 1 1028 . 1 1 88 88 PRO CB C 13 31.823 0.010 . 1 . . . . 96 PRO CB . 15718 1 1029 . 1 1 88 88 PRO CD C 13 50.948 0.004 . 1 . . . . 96 PRO CD . 15718 1 1030 . 1 1 88 88 PRO CG C 13 27.865 0.007 . 1 . . . . 96 PRO CG . 15718 1 1031 . 1 1 89 89 LYS H H 1 8.590 0.013 . 1 . . . . 97 LYS H . 15718 1 1032 . 1 1 89 89 LYS HA H 1 4.239 0.006 . 1 . . . . 97 LYS HA . 15718 1 1033 . 1 1 89 89 LYS HB2 H 1 1.675 0.011 . 2 . . . . 97 LYS HB2 . 15718 1 1034 . 1 1 89 89 LYS HB3 H 1 1.878 0.009 . 2 . . . . 97 LYS HB3 . 15718 1 1035 . 1 1 89 89 LYS HG2 H 1 1.368 0.006 . 2 . . . . 97 LYS HG2 . 15718 1 1036 . 1 1 89 89 LYS HG3 H 1 1.446 0.010 . 2 . . . . 97 LYS HG3 . 15718 1 1037 . 1 1 89 89 LYS C C 13 175.884 0.001 . 1 . . . . 97 LYS C . 15718 1 1038 . 1 1 89 89 LYS CA C 13 55.838 0.047 . 1 . . . . 97 LYS CA . 15718 1 1039 . 1 1 89 89 LYS CB C 13 33.875 0.019 . 1 . . . . 97 LYS CB . 15718 1 1040 . 1 1 89 89 LYS CG C 13 24.801 0.002 . 1 . . . . 97 LYS CG . 15718 1 1041 . 1 1 89 89 LYS N N 15 119.945 0.129 . 1 . . . . 97 LYS N . 15718 1 1042 . 1 1 90 90 SER H H 1 7.080 0.018 . 1 . . . . 98 SER H . 15718 1 1043 . 1 1 90 90 SER HA H 1 4.458 0.009 . 1 . . . . 98 SER HA . 15718 1 1044 . 1 1 90 90 SER HB2 H 1 3.775 0.008 . 2 . . . . 98 SER HB2 . 15718 1 1045 . 1 1 90 90 SER HB3 H 1 3.808 0.008 . 2 . . . . 98 SER HB3 . 15718 1 1046 . 1 1 90 90 SER C C 13 171.607 0.020 . 1 . . . . 98 SER C . 15718 1 1047 . 1 1 90 90 SER CA C 13 57.328 0.032 . 1 . . . . 98 SER CA . 15718 1 1048 . 1 1 90 90 SER CB C 13 64.664 0.018 . 1 . . . . 98 SER CB . 15718 1 1049 . 1 1 90 90 SER N N 15 111.712 0.152 . 1 . . . . 98 SER N . 15718 1 1050 . 1 1 91 91 TRP H H 1 8.218 0.018 . 1 . . . . 99 TRP H . 15718 1 1051 . 1 1 91 91 TRP HA H 1 5.365 0.009 . 1 . . . . 99 TRP HA . 15718 1 1052 . 1 1 91 91 TRP HB2 H 1 2.727 0.010 . 2 . . . . 99 TRP HB2 . 15718 1 1053 . 1 1 91 91 TRP HB3 H 1 3.169 0.011 . 2 . . . . 99 TRP HB3 . 15718 1 1054 . 1 1 91 91 TRP HD1 H 1 6.908 0.007 . 1 . . . . 99 TRP HD1 . 15718 1 1055 . 1 1 91 91 TRP HE1 H 1 9.580 0.001 . 1 . . . . 99 TRP HE1 . 15718 1 1056 . 1 1 91 91 TRP HE3 H 1 7.157 0.013 . 1 . . . . 99 TRP HE3 . 15718 1 1057 . 1 1 91 91 TRP HH2 H 1 6.868 0.010 . 1 . . . . 99 TRP HH2 . 15718 1 1058 . 1 1 91 91 TRP HZ2 H 1 7.141 0.007 . 1 . . . . 99 TRP HZ2 . 15718 1 1059 . 1 1 91 91 TRP HZ3 H 1 6.535 0.008 . 1 . . . . 99 TRP HZ3 . 15718 1 1060 . 1 1 91 91 TRP C C 13 176.858 0.003 . 1 . . . . 99 TRP C . 15718 1 1061 . 1 1 91 91 TRP CA C 13 55.847 0.024 . 1 . . . . 99 TRP CA . 15718 1 1062 . 1 1 91 91 TRP CB C 13 33.312 0.030 . 1 . . . . 99 TRP CB . 15718 1 1063 . 1 1 91 91 TRP CD1 C 13 127.771 0.020 . 1 . . . . 99 TRP CD1 . 15718 1 1064 . 1 1 91 91 TRP CE3 C 13 120.236 0.008 . 1 . . . . 99 TRP CE3 . 15718 1 1065 . 1 1 91 91 TRP CH2 C 13 122.902 0.006 . 1 . . . . 99 TRP CH2 . 15718 1 1066 . 1 1 91 91 TRP CZ2 C 13 113.760 0.004 . 1 . . . . 99 TRP CZ2 . 15718 1 1067 . 1 1 91 91 TRP CZ3 C 13 119.960 0.004 . 1 . . . . 99 TRP CZ3 . 15718 1 1068 . 1 1 91 91 TRP N N 15 121.837 0.144 . 1 . . . . 99 TRP N . 15718 1 1069 . 1 1 91 91 TRP NE1 N 15 128.019 0.011 . 1 . . . . 99 TRP NE1 . 15718 1 1070 . 1 1 92 92 VAL H H 1 9.683 0.016 . 1 . . . . 100 VAL H . 15718 1 1071 . 1 1 92 92 VAL HA H 1 5.098 0.008 . 1 . . . . 100 VAL HA . 15718 1 1072 . 1 1 92 92 VAL HB H 1 2.558 0.010 . 1 . . . . 100 VAL HB . 15718 1 1073 . 1 1 92 92 VAL HG11 H 1 1.145 0.003 . 2 . . . . 100 VAL HG11 . 15718 1 1074 . 1 1 92 92 VAL HG12 H 1 1.145 0.003 . 2 . . . . 100 VAL HG12 . 15718 1 1075 . 1 1 92 92 VAL HG13 H 1 1.145 0.003 . 2 . . . . 100 VAL HG13 . 15718 1 1076 . 1 1 92 92 VAL HG21 H 1 1.168 0.002 . 2 . . . . 100 VAL HG21 . 15718 1 1077 . 1 1 92 92 VAL HG22 H 1 1.168 0.002 . 2 . . . . 100 VAL HG22 . 15718 1 1078 . 1 1 92 92 VAL HG23 H 1 1.168 0.002 . 2 . . . . 100 VAL HG23 . 15718 1 1079 . 1 1 92 92 VAL C C 13 176.645 0.002 . 1 . . . . 100 VAL C . 15718 1 1080 . 1 1 92 92 VAL CA C 13 60.027 0.065 . 1 . . . . 100 VAL CA . 15718 1 1081 . 1 1 92 92 VAL CB C 13 36.283 0.054 . 1 . . . . 100 VAL CB . 15718 1 1082 . 1 1 92 92 VAL CG1 C 13 22.149 0.4 . 2 . . . . 100 VAL CG1 . 15718 1 1083 . 1 1 92 92 VAL CG2 C 13 20.242 0.4 . 2 . . . . 100 VAL CG2 . 15718 1 1084 . 1 1 92 92 VAL N N 15 115.379 0.162 . 1 . . . . 100 VAL N . 15718 1 1085 . 1 1 93 93 ALA H H 1 8.299 0.016 . 1 . . . . 101 ALA H . 15718 1 1086 . 1 1 93 93 ALA HA H 1 4.538 0.009 . 1 . . . . 101 ALA HA . 15718 1 1087 . 1 1 93 93 ALA HB1 H 1 1.239 0.009 . 1 . . . . 101 ALA HB1 . 15718 1 1088 . 1 1 93 93 ALA HB2 H 1 1.239 0.009 . 1 . . . . 101 ALA HB2 . 15718 1 1089 . 1 1 93 93 ALA HB3 H 1 1.239 0.009 . 1 . . . . 101 ALA HB3 . 15718 1 1090 . 1 1 93 93 ALA C C 13 176.016 0.012 . 1 . . . . 101 ALA C . 15718 1 1091 . 1 1 93 93 ALA CA C 13 54.291 0.052 . 1 . . . . 101 ALA CA . 15718 1 1092 . 1 1 93 93 ALA CB C 13 20.287 0.055 . 1 . . . . 101 ALA CB . 15718 1 1093 . 1 1 93 93 ALA N N 15 120.968 0.148 . 1 . . . . 101 ALA N . 15718 1 1094 . 1 1 94 94 ALA H H 1 6.935 0.016 . 1 . . . . 102 ALA H . 15718 1 1095 . 1 1 94 94 ALA HA H 1 4.691 0.006 . 1 . . . . 102 ALA HA . 15718 1 1096 . 1 1 94 94 ALA HB1 H 1 1.284 0.008 . 1 . . . . 102 ALA HB1 . 15718 1 1097 . 1 1 94 94 ALA HB2 H 1 1.284 0.008 . 1 . . . . 102 ALA HB2 . 15718 1 1098 . 1 1 94 94 ALA HB3 H 1 1.284 0.008 . 1 . . . . 102 ALA HB3 . 15718 1 1099 . 1 1 94 94 ALA C C 13 175.453 0.014 . 1 . . . . 102 ALA C . 15718 1 1100 . 1 1 94 94 ALA CA C 13 50.578 0.056 . 1 . . . . 102 ALA CA . 15718 1 1101 . 1 1 94 94 ALA CB C 13 23.354 7.854 . 1 . . . . 102 ALA CB . 15718 1 1102 . 1 1 94 94 ALA N N 15 116.093 0.137 . 1 . . . . 102 ALA N . 15718 1 1103 . 1 1 95 95 GLU H H 1 7.804 0.015 . 1 . . . . 103 GLU H . 15718 1 1104 . 1 1 95 95 GLU HA H 1 3.255 0.007 . 1 . . . . 103 GLU HA . 15718 1 1105 . 1 1 95 95 GLU HB2 H 1 0.945 0.011 . 2 . . . . 103 GLU HB2 . 15718 1 1106 . 1 1 95 95 GLU HB3 H 1 1.417 0.008 . 2 . . . . 103 GLU HB3 . 15718 1 1107 . 1 1 95 95 GLU HG2 H 1 1.913 0.007 . 2 . . . . 103 GLU HG2 . 15718 1 1108 . 1 1 95 95 GLU HG3 H 1 2.059 0.008 . 2 . . . . 103 GLU HG3 . 15718 1 1109 . 1 1 95 95 GLU C C 13 176.234 0.009 . 1 . . . . 103 GLU C . 15718 1 1110 . 1 1 95 95 GLU CA C 13 57.091 0.013 . 1 . . . . 103 GLU CA . 15718 1 1111 . 1 1 95 95 GLU CB C 13 30.566 0.012 . 1 . . . . 103 GLU CB . 15718 1 1112 . 1 1 95 95 GLU CG C 13 38.145 5.660 . 1 . . . . 103 GLU CG . 15718 1 1113 . 1 1 95 95 GLU N N 15 125.583 0.149 . 1 . . . . 103 GLU N . 15718 1 1114 . 1 1 96 96 LYS H H 1 10.727 0.019 . 1 . . . . 104 LYS H . 15718 1 1115 . 1 1 96 96 LYS HA H 1 4.444 0.007 . 1 . . . . 104 LYS HA . 15718 1 1116 . 1 1 96 96 LYS HB2 H 1 0.075 0.006 . 2 . . . . 104 LYS HB2 . 15718 1 1117 . 1 1 96 96 LYS HB3 H 1 0.976 0.008 . 2 . . . . 104 LYS HB3 . 15718 1 1118 . 1 1 96 96 LYS HD2 H 1 1.555 0.005 . 2 . . . . 104 LYS HD2 . 15718 1 1119 . 1 1 96 96 LYS HD3 H 1 1.735 0.011 . 2 . . . . 104 LYS HD3 . 15718 1 1120 . 1 1 96 96 LYS HE2 H 1 2.913 0.001 . 2 . . . . 104 LYS HE2 . 15718 1 1121 . 1 1 96 96 LYS HE3 H 1 2.993 0.002 . 2 . . . . 104 LYS HE3 . 15718 1 1122 . 1 1 96 96 LYS HG2 H 1 1.212 0.012 . 2 . . . . 104 LYS HG2 . 15718 1 1123 . 1 1 96 96 LYS HG3 H 1 1.282 0.009 . 2 . . . . 104 LYS HG3 . 15718 1 1124 . 1 1 96 96 LYS C C 13 178.370 0.008 . 1 . . . . 104 LYS C . 15718 1 1125 . 1 1 96 96 LYS CA C 13 53.114 0.012 . 1 . . . . 104 LYS CA . 15718 1 1126 . 1 1 96 96 LYS CB C 13 34.921 0.002 . 1 . . . . 104 LYS CB . 15718 1 1127 . 1 1 96 96 LYS CD C 13 28.288 0.4 . 1 . . . . 104 LYS CD . 15718 1 1128 . 1 1 96 96 LYS CE C 13 42.344 0.001 . 1 . . . . 104 LYS CE . 15718 1 1129 . 1 1 96 96 LYS CG C 13 24.022 0.027 . 1 . . . . 104 LYS CG . 15718 1 1130 . 1 1 96 96 LYS N N 15 130.238 0.157 . 1 . . . . 104 LYS N . 15718 1 1131 . 1 1 97 97 MET H H 1 8.528 0.017 . 1 . . . . 105 MET H . 15718 1 1132 . 1 1 97 97 MET HA H 1 4.012 0.009 . 1 . . . . 105 MET HA . 15718 1 1133 . 1 1 97 97 MET HB2 H 1 1.936 0.004 . 2 . . . . 105 MET HB2 . 15718 1 1134 . 1 1 97 97 MET HB3 H 1 2.044 0.007 . 2 . . . . 105 MET HB3 . 15718 1 1135 . 1 1 97 97 MET HE1 H 1 2.053 0.009 . 1 . . . . 105 MET HE1 . 15718 1 1136 . 1 1 97 97 MET HE2 H 1 2.053 0.009 . 1 . . . . 105 MET HE2 . 15718 1 1137 . 1 1 97 97 MET HE3 H 1 2.053 0.009 . 1 . . . . 105 MET HE3 . 15718 1 1138 . 1 1 97 97 MET HG2 H 1 2.490 0.008 . 2 . . . . 105 MET HG2 . 15718 1 1139 . 1 1 97 97 MET HG3 H 1 2.553 0.009 . 2 . . . . 105 MET HG3 . 15718 1 1140 . 1 1 97 97 MET C C 13 175.489 0.4 . 1 . . . . 105 MET C . 15718 1 1141 . 1 1 97 97 MET CA C 13 58.615 0.028 . 1 . . . . 105 MET CA . 15718 1 1142 . 1 1 97 97 MET CB C 13 32.146 0.4 . 1 . . . . 105 MET CB . 15718 1 1143 . 1 1 97 97 MET CE C 13 17.178 0.4 . 1 . . . . 105 MET CE . 15718 1 1144 . 1 1 97 97 MET CG C 13 31.851 0.001 . 1 . . . . 105 MET CG . 15718 1 1145 . 1 1 97 97 MET N N 15 119.311 0.128 . 1 . . . . 105 MET N . 15718 1 1146 . 1 1 98 98 TYR H H 1 6.054 0.020 . 1 . . . . 106 TYR H . 15718 1 1147 . 1 1 98 98 TYR HA H 1 4.425 0.008 . 1 . . . . 106 TYR HA . 15718 1 1148 . 1 1 98 98 TYR HB2 H 1 2.773 0.012 . 2 . . . . 106 TYR HB2 . 15718 1 1149 . 1 1 98 98 TYR HB3 H 1 3.252 0.007 . 2 . . . . 106 TYR HB3 . 15718 1 1150 . 1 1 98 98 TYR HD1 H 1 6.767 0.008 . 3 . . . . 106 TYR HD1 . 15718 1 1151 . 1 1 98 98 TYR HD2 H 1 6.767 0.008 . 3 . . . . 106 TYR HD2 . 15718 1 1152 . 1 1 98 98 TYR HE1 H 1 6.600 0.016 . 3 . . . . 106 TYR HE1 . 15718 1 1153 . 1 1 98 98 TYR HE2 H 1 6.600 0.016 . 3 . . . . 106 TYR HE2 . 15718 1 1154 . 1 1 98 98 TYR C C 13 176.518 0.4 . 1 . . . . 106 TYR C . 15718 1 1155 . 1 1 98 98 TYR CA C 13 55.338 0.018 . 1 . . . . 106 TYR CA . 15718 1 1156 . 1 1 98 98 TYR CB C 13 37.171 0.007 . 1 . . . . 106 TYR CB . 15718 1 1157 . 1 1 98 98 TYR CD1 C 13 133.666 0.002 . 3 . . . . 106 TYR CD1 . 15718 1 1158 . 1 1 98 98 TYR CD2 C 13 133.666 0.002 . 3 . . . . 106 TYR CD2 . 15718 1 1159 . 1 1 98 98 TYR CE1 C 13 119.121 0.4 . 3 . . . . 106 TYR CE1 . 15718 1 1160 . 1 1 98 98 TYR CE2 C 13 119.121 0.4 . 3 . . . . 106 TYR CE2 . 15718 1 1161 . 1 1 98 98 TYR N N 15 107.889 0.137 . 1 . . . . 106 TYR N . 15718 1 1162 . 1 1 99 99 HIS H H 1 7.294 0.013 . 1 . . . . 107 HIS H . 15718 1 1163 . 1 1 99 99 HIS HA H 1 4.499 0.010 . 1 . . . . 107 HIS HA . 15718 1 1164 . 1 1 99 99 HIS HB2 H 1 3.414 0.011 . 2 . . . . 107 HIS HB2 . 15718 1 1165 . 1 1 99 99 HIS HB3 H 1 3.711 0.006 . 2 . . . . 107 HIS HB3 . 15718 1 1166 . 1 1 99 99 HIS HD2 H 1 6.759 0.008 . 1 . . . . 107 HIS HD2 . 15718 1 1167 . 1 1 99 99 HIS HE1 H 1 7.647 0.010 . 1 . . . . 107 HIS HE1 . 15718 1 1168 . 1 1 99 99 HIS C C 13 176.394 0.007 . 1 . . . . 107 HIS C . 15718 1 1169 . 1 1 99 99 HIS CA C 13 60.866 0.023 . 1 . . . . 107 HIS CA . 15718 1 1170 . 1 1 99 99 HIS CB C 13 32.700 0.013 . 1 . . . . 107 HIS CB . 15718 1 1171 . 1 1 99 99 HIS CD2 C 13 114.854 0.036 . 1 . . . . 107 HIS CD2 . 15718 1 1172 . 1 1 99 99 HIS CE1 C 13 137.818 0.4 . 1 . . . . 107 HIS CE1 . 15718 1 1173 . 1 1 99 99 HIS N N 15 121.123 0.132 . 1 . . . . 107 HIS N . 15718 1 1174 . 1 1 100 100 THR H H 1 8.394 0.020 . 1 . . . . 108 THR H . 15718 1 1175 . 1 1 100 100 THR HA H 1 4.344 0.007 . 1 . . . . 108 THR HA . 15718 1 1176 . 1 1 100 100 THR HB H 1 4.774 0.008 . 1 . . . . 108 THR HB . 15718 1 1177 . 1 1 100 100 THR HG21 H 1 1.374 0.005 . 1 . . . . 108 THR HG21 . 15718 1 1178 . 1 1 100 100 THR HG22 H 1 1.374 0.005 . 1 . . . . 108 THR HG22 . 15718 1 1179 . 1 1 100 100 THR HG23 H 1 1.374 0.005 . 1 . . . . 108 THR HG23 . 15718 1 1180 . 1 1 100 100 THR C C 13 173.865 0.031 . 1 . . . . 108 THR C . 15718 1 1181 . 1 1 100 100 THR CA C 13 61.632 0.029 . 1 . . . . 108 THR CA . 15718 1 1182 . 1 1 100 100 THR CB C 13 70.959 0.088 . 1 . . . . 108 THR CB . 15718 1 1183 . 1 1 100 100 THR CG2 C 13 21.674 0.006 . 1 . . . . 108 THR CG2 . 15718 1 1184 . 1 1 100 100 THR N N 15 110.640 0.185 . 1 . . . . 108 THR N . 15718 1 1185 . 1 1 101 101 HIS H H 1 8.687 0.012 . 1 . . . . 109 HIS H . 15718 1 1186 . 1 1 101 101 HIS HA H 1 5.589 0.013 . 1 . . . . 109 HIS HA . 15718 1 1187 . 1 1 101 101 HIS HB2 H 1 2.675 0.016 . 2 . . . . 109 HIS HB2 . 15718 1 1188 . 1 1 101 101 HIS HB3 H 1 3.273 0.009 . 2 . . . . 109 HIS HB3 . 15718 1 1189 . 1 1 101 101 HIS HD2 H 1 7.169 0.010 . 1 . . . . 109 HIS HD2 . 15718 1 1190 . 1 1 101 101 HIS HE1 H 1 7.874 0.006 . 1 . . . . 109 HIS HE1 . 15718 1 1191 . 1 1 101 101 HIS C C 13 173.957 0.015 . 1 . . . . 109 HIS C . 15718 1 1192 . 1 1 101 101 HIS CA C 13 56.862 0.032 . 1 . . . . 109 HIS CA . 15718 1 1193 . 1 1 101 101 HIS CB C 13 36.538 0.017 . 1 . . . . 109 HIS CB . 15718 1 1194 . 1 1 101 101 HIS CD2 C 13 118.347 0.145 . 1 . . . . 109 HIS CD2 . 15718 1 1195 . 1 1 101 101 HIS CE1 C 13 138.601 0.4 . 1 . . . . 109 HIS CE1 . 15718 1 1196 . 1 1 101 101 HIS N N 15 123.251 0.130 . 1 . . . . 109 HIS N . 15718 1 1197 . 1 1 102 102 ARG H H 1 8.993 0.011 . 1 . . . . 110 ARG H . 15718 1 1198 . 1 1 102 102 ARG HA H 1 5.726 0.012 . 1 . . . . 110 ARG HA . 15718 1 1199 . 1 1 102 102 ARG HB2 H 1 0.553 0.009 . 2 . . . . 110 ARG HB2 . 15718 1 1200 . 1 1 102 102 ARG HB3 H 1 0.685 0.007 . 2 . . . . 110 ARG HB3 . 15718 1 1201 . 1 1 102 102 ARG HD2 H 1 0.126 0.012 . 2 . . . . 110 ARG HD2 . 15718 1 1202 . 1 1 102 102 ARG HD3 H 1 0.433 0.017 . 2 . . . . 110 ARG HD3 . 15718 1 1203 . 1 1 102 102 ARG HG2 H 1 -0.099 0.010 . 1 . . . . 110 ARG HG2 . 15718 1 1204 . 1 1 102 102 ARG HG3 H 1 -0.099 0.010 . 1 . . . . 110 ARG HG3 . 15718 1 1205 . 1 1 102 102 ARG C C 13 174.026 0.4 . 1 . . . . 110 ARG C . 15718 1 1206 . 1 1 102 102 ARG CA C 13 54.707 0.048 . 1 . . . . 110 ARG CA . 15718 1 1207 . 1 1 102 102 ARG CB C 13 33.594 0.003 . 1 . . . . 110 ARG CB . 15718 1 1208 . 1 1 102 102 ARG CD C 13 43.532 0.013 . 1 . . . . 110 ARG CD . 15718 1 1209 . 1 1 102 102 ARG CG C 13 24.197 0.001 . 1 . . . . 110 ARG CG . 15718 1 1210 . 1 1 102 102 ARG N N 15 119.259 0.090 . 1 . . . . 110 ARG N . 15718 1 1211 . 1 1 103 103 ARG H H 1 9.086 0.014 . 1 . . . . 111 ARG H . 15718 1 1212 . 1 1 103 103 ARG HA H 1 6.121 0.015 . 1 . . . . 111 ARG HA . 15718 1 1213 . 1 1 103 103 ARG HB2 H 1 1.347 0.010 . 2 . . . . 111 ARG HB2 . 15718 1 1214 . 1 1 103 103 ARG HB3 H 1 1.521 0.009 . 2 . . . . 111 ARG HB3 . 15718 1 1215 . 1 1 103 103 ARG HD2 H 1 1.863 0.015 . 1 . . . . 111 ARG HD2 . 15718 1 1216 . 1 1 103 103 ARG HD3 H 1 1.863 0.015 . 1 . . . . 111 ARG HD3 . 15718 1 1217 . 1 1 103 103 ARG HE H 1 6.660 0.004 . 1 . . . . 111 ARG HE . 15718 1 1218 . 1 1 103 103 ARG HG2 H 1 0.414 0.012 . 2 . . . . 111 ARG HG2 . 15718 1 1219 . 1 1 103 103 ARG HG3 H 1 0.805 0.012 . 2 . . . . 111 ARG HG3 . 15718 1 1220 . 1 1 103 103 ARG C C 13 173.610 0.005 . 1 . . . . 111 ARG C . 15718 1 1221 . 1 1 103 103 ARG CA C 13 54.319 0.003 . 1 . . . . 111 ARG CA . 15718 1 1222 . 1 1 103 103 ARG CB C 13 34.372 0.007 . 1 . . . . 111 ARG CB . 15718 1 1223 . 1 1 103 103 ARG CD C 13 43.963 0.4 . 1 . . . . 111 ARG CD . 15718 1 1224 . 1 1 103 103 ARG CG C 13 25.066 0.003 . 1 . . . . 111 ARG CG . 15718 1 1225 . 1 1 103 103 ARG N N 15 119.266 0.123 . 1 . . . . 111 ARG N . 15718 1 1226 . 1 1 103 103 ARG NE N 15 85.749 0.1 . 1 . . . . 111 ARG NE . 15718 1 1227 . 1 1 104 104 ARG H H 1 8.631 0.016 . 1 . . . . 112 ARG H . 15718 1 1228 . 1 1 104 104 ARG HA H 1 4.559 0.015 . 1 . . . . 112 ARG HA . 15718 1 1229 . 1 1 104 104 ARG HB2 H 1 0.645 0.010 . 1 . . . . 112 ARG HB2 . 15718 1 1230 . 1 1 104 104 ARG HB3 H 1 0.646 0.011 . 1 . . . . 112 ARG HB3 . 15718 1 1231 . 1 1 104 104 ARG HD2 H 1 0.432 0.008 . 2 . . . . 112 ARG HD2 . 15718 1 1232 . 1 1 104 104 ARG HD3 H 1 1.679 0.006 . 2 . . . . 112 ARG HD3 . 15718 1 1233 . 1 1 104 104 ARG HE H 1 5.348 0.003 . 1 . . . . 112 ARG HE . 15718 1 1234 . 1 1 104 104 ARG HG2 H 1 0.515 0.007 . 2 . . . . 112 ARG HG2 . 15718 1 1235 . 1 1 104 104 ARG HG3 H 1 0.697 0.012 . 2 . . . . 112 ARG HG3 . 15718 1 1236 . 1 1 104 104 ARG C C 13 172.938 0.009 . 1 . . . . 112 ARG C . 15718 1 1237 . 1 1 104 104 ARG CA C 13 53.826 0.036 . 1 . . . . 112 ARG CA . 15718 1 1238 . 1 1 104 104 ARG CB C 13 35.440 0.038 . 1 . . . . 112 ARG CB . 15718 1 1239 . 1 1 104 104 ARG CD C 13 44.020 0.024 . 1 . . . . 112 ARG CD . 15718 1 1240 . 1 1 104 104 ARG CG C 13 24.135 0.005 . 1 . . . . 112 ARG CG . 15718 1 1241 . 1 1 104 104 ARG N N 15 118.215 0.149 . 1 . . . . 112 ARG N . 15718 1 1242 . 1 1 104 104 ARG NE N 15 83.405 0.1 . 1 . . . . 112 ARG NE . 15718 1 1243 . 1 1 105 105 ARG H H 1 8.896 0.013 . 1 . . . . 113 ARG H . 15718 1 1244 . 1 1 105 105 ARG HA H 1 3.400 0.008 . 1 . . . . 113 ARG HA . 15718 1 1245 . 1 1 105 105 ARG HB2 H 1 1.157 0.010 . 2 . . . . 113 ARG HB2 . 15718 1 1246 . 1 1 105 105 ARG HB3 H 1 1.599 0.012 . 2 . . . . 113 ARG HB3 . 15718 1 1247 . 1 1 105 105 ARG HD2 H 1 2.845 0.009 . 2 . . . . 113 ARG HD2 . 15718 1 1248 . 1 1 105 105 ARG HD3 H 1 3.129 0.014 . 2 . . . . 113 ARG HD3 . 15718 1 1249 . 1 1 105 105 ARG HE H 1 7.519 0.005 . 1 . . . . 113 ARG HE . 15718 1 1250 . 1 1 105 105 ARG HG2 H 1 0.504 0.009 . 2 . . . . 113 ARG HG2 . 15718 1 1251 . 1 1 105 105 ARG HG3 H 1 1.025 0.008 . 2 . . . . 113 ARG HG3 . 15718 1 1252 . 1 1 105 105 ARG C C 13 173.709 0.021 . 1 . . . . 113 ARG C . 15718 1 1253 . 1 1 105 105 ARG CA C 13 55.947 0.036 . 1 . . . . 113 ARG CA . 15718 1 1254 . 1 1 105 105 ARG CB C 13 33.847 6.092 . 1 . . . . 113 ARG CB . 15718 1 1255 . 1 1 105 105 ARG CD C 13 43.539 0.010 . 1 . . . . 113 ARG CD . 15718 1 1256 . 1 1 105 105 ARG CG C 13 29.279 6.094 . 1 . . . . 113 ARG CG . 15718 1 1257 . 1 1 105 105 ARG N N 15 126.505 0.155 . 1 . . . . 113 ARG N . 15718 1 1258 . 1 1 105 105 ARG NE N 15 85.014 0.1 . 1 . . . . 113 ARG NE . 15718 1 1259 . 1 1 106 106 LEU H H 1 9.181 0.014 . 1 . . . . 114 LEU H . 15718 1 1260 . 1 1 106 106 LEU HA H 1 5.264 0.011 . 1 . . . . 114 LEU HA . 15718 1 1261 . 1 1 106 106 LEU HB2 H 1 1.384 0.010 . 2 . . . . 114 LEU HB2 . 15718 1 1262 . 1 1 106 106 LEU HB3 H 1 1.751 0.006 . 2 . . . . 114 LEU HB3 . 15718 1 1263 . 1 1 106 106 LEU HD11 H 1 0.532 0.011 . 2 . . . . 114 LEU HD11 . 15718 1 1264 . 1 1 106 106 LEU HD12 H 1 0.532 0.011 . 2 . . . . 114 LEU HD12 . 15718 1 1265 . 1 1 106 106 LEU HD13 H 1 0.532 0.011 . 2 . . . . 114 LEU HD13 . 15718 1 1266 . 1 1 106 106 LEU HD21 H 1 0.704 0.011 . 2 . . . . 114 LEU HD21 . 15718 1 1267 . 1 1 106 106 LEU HD22 H 1 0.704 0.011 . 2 . . . . 114 LEU HD22 . 15718 1 1268 . 1 1 106 106 LEU HD23 H 1 0.704 0.011 . 2 . . . . 114 LEU HD23 . 15718 1 1269 . 1 1 106 106 LEU HG H 1 1.468 0.007 . 1 . . . . 114 LEU HG . 15718 1 1270 . 1 1 106 106 LEU C C 13 176.379 0.014 . 1 . . . . 114 LEU C . 15718 1 1271 . 1 1 106 106 LEU CA C 13 53.999 0.025 . 1 . . . . 114 LEU CA . 15718 1 1272 . 1 1 106 106 LEU CB C 13 43.444 0.008 . 1 . . . . 114 LEU CB . 15718 1 1273 . 1 1 106 106 LEU CD1 C 13 24.878 0.001 . 2 . . . . 114 LEU CD1 . 15718 1 1274 . 1 1 106 106 LEU CD2 C 13 26.295 0.006 . 2 . . . . 114 LEU CD2 . 15718 1 1275 . 1 1 106 106 LEU CG C 13 28.482 0.001 . 1 . . . . 114 LEU CG . 15718 1 1276 . 1 1 106 106 LEU N N 15 129.621 0.134 . 1 . . . . 114 LEU N . 15718 1 1277 . 1 1 107 107 VAL H H 1 8.997 0.014 . 1 . . . . 115 VAL H . 15718 1 1278 . 1 1 107 107 VAL HA H 1 5.734 0.008 . 1 . . . . 115 VAL HA . 15718 1 1279 . 1 1 107 107 VAL HB H 1 1.843 0.010 . 1 . . . . 115 VAL HB . 15718 1 1280 . 1 1 107 107 VAL HG11 H 1 0.605 0.009 . 2 . . . . 115 VAL HG11 . 15718 1 1281 . 1 1 107 107 VAL HG12 H 1 0.605 0.009 . 2 . . . . 115 VAL HG12 . 15718 1 1282 . 1 1 107 107 VAL HG13 H 1 0.605 0.009 . 2 . . . . 115 VAL HG13 . 15718 1 1283 . 1 1 107 107 VAL HG21 H 1 0.708 0.016 . 2 . . . . 115 VAL HG21 . 15718 1 1284 . 1 1 107 107 VAL HG22 H 1 0.708 0.016 . 2 . . . . 115 VAL HG22 . 15718 1 1285 . 1 1 107 107 VAL HG23 H 1 0.708 0.016 . 2 . . . . 115 VAL HG23 . 15718 1 1286 . 1 1 107 107 VAL C C 13 176.187 0.019 . 1 . . . . 115 VAL C . 15718 1 1287 . 1 1 107 107 VAL CA C 13 58.419 0.023 . 1 . . . . 115 VAL CA . 15718 1 1288 . 1 1 107 107 VAL CB C 13 36.774 0.034 . 1 . . . . 115 VAL CB . 15718 1 1289 . 1 1 107 107 VAL CG1 C 13 18.206 0.066 . 2 . . . . 115 VAL CG1 . 15718 1 1290 . 1 1 107 107 VAL CG2 C 13 22.631 0.009 . 2 . . . . 115 VAL CG2 . 15718 1 1291 . 1 1 107 107 VAL N N 15 111.553 0.147 . 1 . . . . 115 VAL N . 15718 1 1292 . 1 1 108 108 ARG H H 1 7.657 0.006 . 1 . . . . 116 ARG H . 15718 1 1293 . 1 1 108 108 ARG HA H 1 3.800 0.007 . 1 . . . . 116 ARG HA . 15718 1 1294 . 1 1 108 108 ARG HB2 H 1 -0.307 0.006 . 2 . . . . 116 ARG HB2 . 15718 1 1295 . 1 1 108 108 ARG HB3 H 1 -0.486 0.011 . 2 . . . . 116 ARG HB3 . 15718 1 1296 . 1 1 108 108 ARG HD2 H 1 -0.491 0.014 . 2 . . . . 116 ARG HD2 . 15718 1 1297 . 1 1 108 108 ARG HD3 H 1 0.100 0.005 . 2 . . . . 116 ARG HD3 . 15718 1 1298 . 1 1 108 108 ARG HE H 1 5.162 0.008 . 1 . . . . 116 ARG HE . 15718 1 1299 . 1 1 108 108 ARG HG2 H 1 0.716 0.012 . 1 . . . . 116 ARG HG2 . 15718 1 1300 . 1 1 108 108 ARG HG3 H 1 0.716 0.012 . 1 . . . . 116 ARG HG3 . 15718 1 1301 . 1 1 108 108 ARG C C 13 173.911 0.017 . 1 . . . . 116 ARG C . 15718 1 1302 . 1 1 108 108 ARG CA C 13 57.493 0.021 . 1 . . . . 116 ARG CA . 15718 1 1303 . 1 1 108 108 ARG CB C 13 30.453 0.012 . 1 . . . . 116 ARG CB . 15718 1 1304 . 1 1 108 108 ARG CD C 13 40.845 0.015 . 1 . . . . 116 ARG CD . 15718 1 1305 . 1 1 108 108 ARG CG C 13 28.159 0.016 . 1 . . . . 116 ARG CG . 15718 1 1306 . 1 1 108 108 ARG N N 15 120.223 0.021 . 1 . . . . 116 ARG N . 15718 1 1307 . 1 1 108 108 ARG NE N 15 83.171 0.1 . 1 . . . . 116 ARG NE . 15718 1 1308 . 1 1 109 109 LYS H H 1 9.002 0.016 . 1 . . . . 117 LYS H . 15718 1 1309 . 1 1 109 109 LYS HA H 1 5.162 0.018 . 1 . . . . 117 LYS HA . 15718 1 1310 . 1 1 109 109 LYS HB2 H 1 1.667 0.009 . 2 . . . . 117 LYS HB2 . 15718 1 1311 . 1 1 109 109 LYS HB3 H 1 1.671 0.009 . 2 . . . . 117 LYS HB3 . 15718 1 1312 . 1 1 109 109 LYS HD2 H 1 1.574 0.013 . 2 . . . . 117 LYS HD2 . 15718 1 1313 . 1 1 109 109 LYS HD3 H 1 1.581 0.011 . 2 . . . . 117 LYS HD3 . 15718 1 1314 . 1 1 109 109 LYS HE2 H 1 2.835 0.004 . 1 . . . . 117 LYS HE2 . 15718 1 1315 . 1 1 109 109 LYS HE3 H 1 2.835 0.004 . 1 . . . . 117 LYS HE3 . 15718 1 1316 . 1 1 109 109 LYS HG2 H 1 1.431 0.014 . 2 . . . . 117 LYS HG2 . 15718 1 1317 . 1 1 109 109 LYS HG3 H 1 1.439 0.007 . 2 . . . . 117 LYS HG3 . 15718 1 1318 . 1 1 109 109 LYS C C 13 176.888 0.025 . 1 . . . . 117 LYS C . 15718 1 1319 . 1 1 109 109 LYS CA C 13 56.718 0.052 . 1 . . . . 117 LYS CA . 15718 1 1320 . 1 1 109 109 LYS CB C 13 34.339 0.021 . 1 . . . . 117 LYS CB . 15718 1 1321 . 1 1 109 109 LYS CD C 13 29.243 0.001 . 1 . . . . 117 LYS CD . 15718 1 1322 . 1 1 109 109 LYS CE C 13 41.335 0.4 . 1 . . . . 117 LYS CE . 15718 1 1323 . 1 1 109 109 LYS CG C 13 25.242 0.003 . 1 . . . . 117 LYS CG . 15718 1 1324 . 1 1 109 109 LYS N N 15 128.187 0.240 . 1 . . . . 117 LYS N . 15718 1 1325 . 1 1 110 110 ARG H H 1 9.590 0.019 . 1 . . . . 118 ARG H . 15718 1 1326 . 1 1 110 110 ARG HA H 1 5.483 0.009 . 1 . . . . 118 ARG HA . 15718 1 1327 . 1 1 110 110 ARG HB2 H 1 1.556 0.014 . 2 . . . . 118 ARG HB2 . 15718 1 1328 . 1 1 110 110 ARG HB3 H 1 1.922 0.012 . 2 . . . . 118 ARG HB3 . 15718 1 1329 . 1 1 110 110 ARG HD2 H 1 1.932 0.011 . 2 . . . . 118 ARG HD2 . 15718 1 1330 . 1 1 110 110 ARG HD3 H 1 2.193 0.012 . 2 . . . . 118 ARG HD3 . 15718 1 1331 . 1 1 110 110 ARG HE H 1 9.335 0.005 . 1 . . . . 118 ARG HE . 15718 1 1332 . 1 1 110 110 ARG HG2 H 1 1.603 0.003 . 1 . . . . 118 ARG HG2 . 15718 1 1333 . 1 1 110 110 ARG HG3 H 1 1.603 0.003 . 1 . . . . 118 ARG HG3 . 15718 1 1334 . 1 1 110 110 ARG C C 13 173.765 0.008 . 1 . . . . 118 ARG C . 15718 1 1335 . 1 1 110 110 ARG CA C 13 53.808 0.010 . 1 . . . . 118 ARG CA . 15718 1 1336 . 1 1 110 110 ARG CB C 13 34.953 0.027 . 1 . . . . 118 ARG CB . 15718 1 1337 . 1 1 110 110 ARG CD C 13 43.149 0.002 . 1 . . . . 118 ARG CD . 15718 1 1338 . 1 1 110 110 ARG CG C 13 27.580 0.4 . 1 . . . . 118 ARG CG . 15718 1 1339 . 1 1 110 110 ARG N N 15 121.565 0.125 . 1 . . . . 118 ARG N . 15718 1 1340 . 1 1 110 110 ARG NE N 15 88.487 0.1 . 1 . . . . 118 ARG NE . 15718 1 1341 . 1 1 111 111 LYS H H 1 9.435 0.008 . 1 . . . . 119 LYS H . 15718 1 1342 . 1 1 111 111 LYS HA H 1 5.565 0.021 . 1 . . . . 119 LYS HA . 15718 1 1343 . 1 1 111 111 LYS HB2 H 1 1.820 0.007 . 2 . . . . 119 LYS HB2 . 15718 1 1344 . 1 1 111 111 LYS HB3 H 1 1.823 0.009 . 2 . . . . 119 LYS HB3 . 15718 1 1345 . 1 1 111 111 LYS HD2 H 1 1.546 0.006 . 2 . . . . 119 LYS HD2 . 15718 1 1346 . 1 1 111 111 LYS HD3 H 1 1.548 0.007 . 2 . . . . 119 LYS HD3 . 15718 1 1347 . 1 1 111 111 LYS HE2 H 1 2.815 0.006 . 2 . . . . 119 LYS HE2 . 15718 1 1348 . 1 1 111 111 LYS HE3 H 1 2.815 0.006 . 2 . . . . 119 LYS HE3 . 15718 1 1349 . 1 1 111 111 LYS HG2 H 1 1.283 0.013 . 2 . . . . 119 LYS HG2 . 15718 1 1350 . 1 1 111 111 LYS HG3 H 1 1.316 0.013 . 2 . . . . 119 LYS HG3 . 15718 1 1351 . 1 1 111 111 LYS C C 13 174.683 0.005 . 1 . . . . 119 LYS C . 15718 1 1352 . 1 1 111 111 LYS CA C 13 54.409 0.076 . 1 . . . . 119 LYS CA . 15718 1 1353 . 1 1 111 111 LYS CB C 13 36.685 0.022 . 1 . . . . 119 LYS CB . 15718 1 1354 . 1 1 111 111 LYS CD C 13 29.242 0.001 . 1 . . . . 119 LYS CD . 15718 1 1355 . 1 1 111 111 LYS CE C 13 41.778 0.064 . 1 . . . . 119 LYS CE . 15718 1 1356 . 1 1 111 111 LYS CG C 13 24.051 0.003 . 1 . . . . 119 LYS CG . 15718 1 1357 . 1 1 111 111 LYS N N 15 117.916 0.100 . 1 . . . . 119 LYS N . 15718 1 1358 . 1 1 112 112 LYS H H 1 7.866 0.011 . 1 . . . . 120 LYS H . 15718 1 1359 . 1 1 112 112 LYS HA H 1 3.472 0.012 . 1 . . . . 120 LYS HA . 15718 1 1360 . 1 1 112 112 LYS HB2 H 1 0.005 0.004 . 2 . . . . 120 LYS HB2 . 15718 1 1361 . 1 1 112 112 LYS HB3 H 1 0.863 0.005 . 2 . . . . 120 LYS HB3 . 15718 1 1362 . 1 1 112 112 LYS HD2 H 1 0.965 0.007 . 2 . . . . 120 LYS HD2 . 15718 1 1363 . 1 1 112 112 LYS HD3 H 1 0.966 0.008 . 2 . . . . 120 LYS HD3 . 15718 1 1364 . 1 1 112 112 LYS HE2 H 1 2.639 0.006 . 2 . . . . 120 LYS HE2 . 15718 1 1365 . 1 1 112 112 LYS HE3 H 1 2.641 0.008 . 2 . . . . 120 LYS HE3 . 15718 1 1366 . 1 1 112 112 LYS HG2 H 1 0.272 0.015 . 2 . . . . 120 LYS HG2 . 15718 1 1367 . 1 1 112 112 LYS HG3 H 1 0.384 0.014 . 2 . . . . 120 LYS HG3 . 15718 1 1368 . 1 1 112 112 LYS C C 13 175.549 0.011 . 1 . . . . 120 LYS C . 15718 1 1369 . 1 1 112 112 LYS CA C 13 55.905 0.054 . 1 . . . . 120 LYS CA . 15718 1 1370 . 1 1 112 112 LYS CB C 13 34.262 5.153 . 1 . . . . 120 LYS CB . 15718 1 1371 . 1 1 112 112 LYS CD C 13 29.004 0.4 . 1 . . . . 120 LYS CD . 15718 1 1372 . 1 1 112 112 LYS CE C 13 42.043 0.025 . 1 . . . . 120 LYS CE . 15718 1 1373 . 1 1 112 112 LYS CG C 13 24.526 0.001 . 1 . . . . 120 LYS CG . 15718 1 1374 . 1 1 112 112 LYS N N 15 124.886 0.096 . 1 . . . . 120 LYS N . 15718 1 1375 . 1 1 113 113 ASP H H 1 8.262 0.016 . 1 . . . . 121 ASP H . 15718 1 1376 . 1 1 113 113 ASP HA H 1 4.484 0.011 . 1 . . . . 121 ASP HA . 15718 1 1377 . 1 1 113 113 ASP HB2 H 1 2.330 0.012 . 2 . . . . 121 ASP HB2 . 15718 1 1378 . 1 1 113 113 ASP HB3 H 1 2.523 0.009 . 2 . . . . 121 ASP HB3 . 15718 1 1379 . 1 1 113 113 ASP C C 13 176.483 0.012 . 1 . . . . 121 ASP C . 15718 1 1380 . 1 1 113 113 ASP CA C 13 53.734 0.036 . 1 . . . . 121 ASP CA . 15718 1 1381 . 1 1 113 113 ASP CB C 13 40.980 0.018 . 1 . . . . 121 ASP CB . 15718 1 1382 . 1 1 113 113 ASP N N 15 124.784 0.116 . 1 . . . . 121 ASP N . 15718 1 1383 . 1 1 114 114 LEU H H 1 8.382 0.014 . 1 . . . . 122 LEU H . 15718 1 1384 . 1 1 114 114 LEU HA H 1 4.244 0.008 . 1 . . . . 122 LEU HA . 15718 1 1385 . 1 1 114 114 LEU HB2 H 1 1.547 0.005 . 2 . . . . 122 LEU HB2 . 15718 1 1386 . 1 1 114 114 LEU HB3 H 1 1.562 0.010 . 2 . . . . 122 LEU HB3 . 15718 1 1387 . 1 1 114 114 LEU HD11 H 1 0.715 0.008 . 2 . . . . 122 LEU HD11 . 15718 1 1388 . 1 1 114 114 LEU HD12 H 1 0.715 0.008 . 2 . . . . 122 LEU HD12 . 15718 1 1389 . 1 1 114 114 LEU HD13 H 1 0.715 0.008 . 2 . . . . 122 LEU HD13 . 15718 1 1390 . 1 1 114 114 LEU HD21 H 1 0.822 0.007 . 2 . . . . 122 LEU HD21 . 15718 1 1391 . 1 1 114 114 LEU HD22 H 1 0.822 0.007 . 2 . . . . 122 LEU HD22 . 15718 1 1392 . 1 1 114 114 LEU HD23 H 1 0.822 0.007 . 2 . . . . 122 LEU HD23 . 15718 1 1393 . 1 1 114 114 LEU HG H 1 1.519 0.009 . 1 . . . . 122 LEU HG . 15718 1 1394 . 1 1 114 114 LEU C C 13 177.980 0.4 . 1 . . . . 122 LEU C . 15718 1 1395 . 1 1 114 114 LEU CA C 13 55.407 0.022 . 1 . . . . 122 LEU CA . 15718 1 1396 . 1 1 114 114 LEU CB C 13 41.731 0.017 . 1 . . . . 122 LEU CB . 15718 1 1397 . 1 1 114 114 LEU CD1 C 13 22.955 0.001 . 2 . . . . 122 LEU CD1 . 15718 1 1398 . 1 1 114 114 LEU CD2 C 13 25.336 0.4 . 2 . . . . 122 LEU CD2 . 15718 1 1399 . 1 1 114 114 LEU CG C 13 27.001 0.001 . 1 . . . . 122 LEU CG . 15718 1 1400 . 1 1 114 114 LEU N N 15 125.138 0.046 . 1 . . . . 122 LEU N . 15718 1 1401 . 1 1 115 115 THR H H 1 8.260 0.019 . 1 . . . . 123 THR H . 15718 1 1402 . 1 1 115 115 THR HA H 1 4.161 0.005 . 1 . . . . 123 THR HA . 15718 1 1403 . 1 1 115 115 THR HB H 1 4.328 0.000 . 1 . . . . 123 THR HB . 15718 1 1404 . 1 1 115 115 THR HG21 H 1 1.161 0.011 . 1 . . . . 123 THR HG21 . 15718 1 1405 . 1 1 115 115 THR HG22 H 1 1.161 0.011 . 1 . . . . 123 THR HG22 . 15718 1 1406 . 1 1 115 115 THR HG23 H 1 1.161 0.011 . 1 . . . . 123 THR HG23 . 15718 1 1407 . 1 1 115 115 THR C C 13 175.116 0.002 . 1 . . . . 123 THR C . 15718 1 1408 . 1 1 115 115 THR CA C 13 63.243 0.052 . 1 . . . . 123 THR CA . 15718 1 1409 . 1 1 115 115 THR CB C 13 69.833 0.4 . 1 . . . . 123 THR CB . 15718 1 1410 . 1 1 115 115 THR CG2 C 13 21.687 0.014 . 1 . . . . 123 THR CG2 . 15718 1 1411 . 1 1 115 115 THR N N 15 114.083 0.100 . 1 . . . . 123 THR N . 15718 1 1412 . 1 1 116 116 GLN H H 1 8.047 0.008 . 1 . . . . 124 GLN H . 15718 1 1413 . 1 1 116 116 GLN HA H 1 4.349 0.004 . 1 . . . . 124 GLN HA . 15718 1 1414 . 1 1 116 116 GLN HB2 H 1 1.902 0.007 . 2 . . . . 124 GLN HB2 . 15718 1 1415 . 1 1 116 116 GLN HB3 H 1 2.102 0.004 . 2 . . . . 124 GLN HB3 . 15718 1 1416 . 1 1 116 116 GLN HE21 H 1 6.783 0.002 . 1 . . . . 124 GLN HE21 . 15718 1 1417 . 1 1 116 116 GLN HE22 H 1 7.535 0.001 . 1 . . . . 124 GLN HE22 . 15718 1 1418 . 1 1 116 116 GLN HG2 H 1 2.281 0.012 . 2 . . . . 124 GLN HG2 . 15718 1 1419 . 1 1 116 116 GLN HG3 H 1 2.283 0.012 . 2 . . . . 124 GLN HG3 . 15718 1 1420 . 1 1 116 116 GLN C C 13 176.138 0.008 . 1 . . . . 124 GLN C . 15718 1 1421 . 1 1 116 116 GLN CA C 13 55.896 0.028 . 1 . . . . 124 GLN CA . 15718 1 1422 . 1 1 116 116 GLN CB C 13 29.438 0.017 . 1 . . . . 124 GLN CB . 15718 1 1423 . 1 1 116 116 GLN CG C 13 33.813 0.003 . 1 . . . . 124 GLN CG . 15718 1 1424 . 1 1 116 116 GLN N N 15 121.874 0.115 . 1 . . . . 124 GLN N . 15718 1 1425 . 1 1 116 116 GLN NE2 N 15 112.830 0.1 . 1 . . . . 124 GLN NE2 . 15718 1 1426 . 1 1 117 117 THR H H 1 8.053 0.018 . 1 . . . . 125 THR H . 15718 1 1427 . 1 1 117 117 THR HA H 1 4.257 0.012 . 1 . . . . 125 THR HA . 15718 1 1428 . 1 1 117 117 THR HB H 1 4.171 0.008 . 1 . . . . 125 THR HB . 15718 1 1429 . 1 1 117 117 THR HG21 H 1 1.162 0.008 . 1 . . . . 125 THR HG21 . 15718 1 1430 . 1 1 117 117 THR HG22 H 1 1.162 0.008 . 1 . . . . 125 THR HG22 . 15718 1 1431 . 1 1 117 117 THR HG23 H 1 1.162 0.008 . 1 . . . . 125 THR HG23 . 15718 1 1432 . 1 1 117 117 THR C C 13 174.530 0.010 . 1 . . . . 125 THR C . 15718 1 1433 . 1 1 117 117 THR CA C 13 62.143 0.031 . 1 . . . . 125 THR CA . 15718 1 1434 . 1 1 117 117 THR CB C 13 70.071 0.002 . 1 . . . . 125 THR CB . 15718 1 1435 . 1 1 117 117 THR CG2 C 13 21.527 0.004 . 1 . . . . 125 THR CG2 . 15718 1 1436 . 1 1 117 117 THR N N 15 115.407 0.107 . 1 . . . . 125 THR N . 15718 1 1437 . 1 1 118 118 ALA H H 1 8.303 0.018 . 1 . . . . 126 ALA H . 15718 1 1438 . 1 1 118 118 ALA HA H 1 4.313 0.005 . 1 . . . . 126 ALA HA . 15718 1 1439 . 1 1 118 118 ALA HB1 H 1 1.372 0.005 . 1 . . . . 126 ALA HB1 . 15718 1 1440 . 1 1 118 118 ALA HB2 H 1 1.372 0.005 . 1 . . . . 126 ALA HB2 . 15718 1 1441 . 1 1 118 118 ALA HB3 H 1 1.372 0.005 . 1 . . . . 126 ALA HB3 . 15718 1 1442 . 1 1 118 118 ALA C C 13 177.899 0.010 . 1 . . . . 126 ALA C . 15718 1 1443 . 1 1 118 118 ALA CA C 13 52.850 0.019 . 1 . . . . 126 ALA CA . 15718 1 1444 . 1 1 118 118 ALA CB C 13 19.242 0.090 . 1 . . . . 126 ALA CB . 15718 1 1445 . 1 1 118 118 ALA N N 15 126.637 0.138 . 1 . . . . 126 ALA N . 15718 1 1446 . 1 1 119 119 SER H H 1 8.247 0.015 . 1 . . . . 127 SER H . 15718 1 1447 . 1 1 119 119 SER HA H 1 4.428 0.002 . 1 . . . . 127 SER HA . 15718 1 1448 . 1 1 119 119 SER HB2 H 1 3.836 0.002 . 2 . . . . 127 SER HB2 . 15718 1 1449 . 1 1 119 119 SER HB3 H 1 3.886 0.001 . 2 . . . . 127 SER HB3 . 15718 1 1450 . 1 1 119 119 SER C C 13 174.869 0.4 . 1 . . . . 127 SER C . 15718 1 1451 . 1 1 119 119 SER CA C 13 58.517 0.014 . 1 . . . . 127 SER CA . 15718 1 1452 . 1 1 119 119 SER CB C 13 63.819 0.032 . 1 . . . . 127 SER CB . 15718 1 1453 . 1 1 119 119 SER N N 15 115.096 0.144 . 1 . . . . 127 SER N . 15718 1 1454 . 1 1 120 120 SER H H 1 8.308 0.016 . 1 . . . . 128 SER H . 15718 1 1455 . 1 1 120 120 SER HA H 1 4.492 0.002 . 1 . . . . 128 SER HA . 15718 1 1456 . 1 1 120 120 SER HB2 H 1 3.853 0.005 . 2 . . . . 128 SER HB2 . 15718 1 1457 . 1 1 120 120 SER HB3 H 1 3.919 0.003 . 2 . . . . 128 SER HB3 . 15718 1 1458 . 1 1 120 120 SER C C 13 174.849 0.4 . 1 . . . . 128 SER C . 15718 1 1459 . 1 1 120 120 SER CA C 13 58.684 0.036 . 1 . . . . 128 SER CA . 15718 1 1460 . 1 1 120 120 SER CB C 13 63.993 0.001 . 1 . . . . 128 SER CB . 15718 1 1461 . 1 1 120 120 SER N N 15 117.999 0.144 . 1 . . . . 128 SER N . 15718 1 1462 . 1 1 121 121 THR H H 1 8.067 0.020 . 1 . . . . 129 THR H . 15718 1 1463 . 1 1 121 121 THR HA H 1 4.312 0.004 . 1 . . . . 129 THR HA . 15718 1 1464 . 1 1 121 121 THR HB H 1 4.181 0.010 . 1 . . . . 129 THR HB . 15718 1 1465 . 1 1 121 121 THR HG21 H 1 1.168 0.003 . 1 . . . . 129 THR HG21 . 15718 1 1466 . 1 1 121 121 THR HG22 H 1 1.168 0.003 . 1 . . . . 129 THR HG22 . 15718 1 1467 . 1 1 121 121 THR HG23 H 1 1.168 0.003 . 1 . . . . 129 THR HG23 . 15718 1 1468 . 1 1 121 121 THR C C 13 174.167 0.015 . 1 . . . . 129 THR C . 15718 1 1469 . 1 1 121 121 THR CA C 13 61.940 0.062 . 1 . . . . 129 THR CA . 15718 1 1470 . 1 1 121 121 THR CB C 13 69.920 0.4 . 1 . . . . 129 THR CB . 15718 1 1471 . 1 1 121 121 THR CG2 C 13 21.715 0.4 . 1 . . . . 129 THR CG2 . 15718 1 1472 . 1 1 121 121 THR N N 15 115.608 0.169 . 1 . . . . 129 THR N . 15718 1 1473 . 1 1 122 122 ALA H H 1 8.154 0.017 . 1 . . . . 130 ALA H . 15718 1 1474 . 1 1 122 122 ALA HA H 1 4.317 0.014 . 1 . . . . 130 ALA HA . 15718 1 1475 . 1 1 122 122 ALA HB1 H 1 1.368 0.013 . 1 . . . . 130 ALA HB1 . 15718 1 1476 . 1 1 122 122 ALA HB2 H 1 1.368 0.013 . 1 . . . . 130 ALA HB2 . 15718 1 1477 . 1 1 122 122 ALA HB3 H 1 1.368 0.013 . 1 . . . . 130 ALA HB3 . 15718 1 1478 . 1 1 122 122 ALA C C 13 176.628 0.009 . 1 . . . . 130 ALA C . 15718 1 1479 . 1 1 122 122 ALA CA C 13 52.719 0.050 . 1 . . . . 130 ALA CA . 15718 1 1480 . 1 1 122 122 ALA CB C 13 19.345 0.069 . 1 . . . . 130 ALA CB . 15718 1 1481 . 1 1 122 122 ALA N N 15 127.402 0.154 . 1 . . . . 130 ALA N . 15718 1 1482 . 1 1 123 123 ARG H H 1 7.880 0.014 . 1 . . . . 131 ARG H . 15718 1 1483 . 1 1 123 123 ARG HA H 1 4.148 0.007 . 1 . . . . 131 ARG HA . 15718 1 1484 . 1 1 123 123 ARG HB2 H 1 1.688 0.005 . 2 . . . . 131 ARG HB2 . 15718 1 1485 . 1 1 123 123 ARG HB3 H 1 1.828 0.011 . 2 . . . . 131 ARG HB3 . 15718 1 1486 . 1 1 123 123 ARG HD2 H 1 3.172 0.001 . 1 . . . . 131 ARG HD2 . 15718 1 1487 . 1 1 123 123 ARG HD3 H 1 3.172 0.001 . 1 . . . . 131 ARG HD3 . 15718 1 1488 . 1 1 123 123 ARG HE H 1 7.118 0.000 . 1 . . . . 131 ARG HE . 15718 1 1489 . 1 1 123 123 ARG HG2 H 1 1.580 0.001 . 1 . . . . 131 ARG HG2 . 15718 1 1490 . 1 1 123 123 ARG HG3 H 1 1.580 0.001 . 1 . . . . 131 ARG HG3 . 15718 1 1491 . 1 1 123 123 ARG C C 13 171.904 0.4 . 1 . . . . 131 ARG C . 15718 1 1492 . 1 1 123 123 ARG CA C 13 57.412 0.025 . 1 . . . . 131 ARG CA . 15718 1 1493 . 1 1 123 123 ARG CB C 13 31.687 0.003 . 1 . . . . 131 ARG CB . 15718 1 1494 . 1 1 123 123 ARG CD C 13 43.493 0.003 . 1 . . . . 131 ARG CD . 15718 1 1495 . 1 1 123 123 ARG CG C 13 27.351 0.048 . 1 . . . . 131 ARG CG . 15718 1 1496 . 1 1 123 123 ARG N N 15 126.034 0.138 . 1 . . . . 131 ARG N . 15718 1 1497 . 1 1 123 123 ARG NE N 15 85.287 0.1 . 1 . . . . 131 ARG NE . 15718 1 stop_ save_