data_19282 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19282 _Entry.Title ; NMR structure of the lymphocyte receptor NKR-P1A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-31 _Entry.Accession_date 2013-05-31 _Entry.Last_release_date 2014-06-09 _Entry.Original_release_date 2014-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Josef Chmelik . . . 19282 2 Daniel Rozbesky . . . 19282 3 Eliska Pospisilova . . . 19282 4 Petr Novak . . . 19282 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19282 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-type lectin-like domain' . 19282 'NK cells' . 19282 'NK receptor' . 19282 NKR-P1A . 19282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 622 19282 '15N chemical shifts' 157 19282 '1H chemical shifts' 967 19282 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-06-09 2013-05-31 original author . 19282 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19282 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the lymphocyte receptor NKR-P1A reveals a different conformation of the conserved loop compared to crystal structure' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Daniel Rozbesky . . . 19282 1 2 Eliska Pospisilova . . . 19282 1 3 Petr Novak . . . 19282 1 4 Josef Chmelik . . . 19282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19282 _Assembly.ID 1 _Assembly.Name 'lymphocyte receptor NKR-P1A' _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 'lymphocyte receptor NKR-P1A' 1 $NKR-P1A A . yes native no no . . . 19282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NKR-P1A _Entity.Sf_category entity _Entity.Sf_framecode NKR-P1A _Entity.Entry_ID 19282 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NKR-P1A _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 ; SAKLECPQDWLSHRDKCFHV SQVSNTWEEGLVDCDGKGAT LMLIQDQEELRFLLDSIKEK YNSFWIGLRYTLPDMNWKWI NGSTLNSDVLKITGDTENDS CAAISGDKVTFESCNSDNRW ICQKELYHETLSNYVGYGH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16008.889 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M94 . "Nmr Structure Of The Lymphocyte Receptor Nkr-p1a" . . . . . 100.00 139 100.00 100.00 1.83e-97 . . . . 19282 1 2 no PDB 2MTI . "Nmr Structure Of The Lymphocyte Receptor Nkr-p1a" . . . . . 100.00 139 100.00 100.00 1.83e-97 . . . . 19282 1 3 no PDB 3M9Z . "Crystal Structure Of Extracellular Domain Of Mouse Nkr-p1a" . . . . . 100.00 139 100.00 100.00 1.83e-97 . . . . 19282 1 4 no PDB 3T3A . "Crystal Structure Of H107r Mutant Of Extracellular Domain Of Mouse Receptor Nkr-P1a" . . . . . 100.00 139 99.28 99.28 2.05e-96 . . . . 19282 1 5 no EMBL CAA45971 . "natural killer cell receptor-P1 [Mus musculus]" . . . . . 100.00 227 98.56 98.56 1.88e-95 . . . . 19282 1 6 no EMBL CAA45976 . "natural killer cell receptor-P1 [Mus musculus]" . . . . . 73.38 182 97.06 98.04 4.12e-65 . . . . 19282 1 7 no GB AAA39366 . "killer cell surface molecule [Mus musculus domesticus]" . . . . . 100.00 227 100.00 100.00 2.03e-97 . . . . 19282 1 8 no GB AAA39822 . "NKR-P1 gene-2 protein [Mus musculus domesticus]" . . . . . 100.00 227 100.00 100.00 1.71e-97 . . . . 19282 1 9 no GB AAI20708 . "Killer cell lectin-like receptor subfamily B member 1A [Mus musculus]" . . . . . 100.00 227 100.00 100.00 2.03e-97 . . . . 19282 1 10 no GB AAI45046 . "Klrb1a protein [Mus musculus]" . . . . . 100.00 194 98.56 98.56 1.32e-95 . . . . 19282 1 11 no GB AAK39101 . "natural killer cell receptor protein NKR-P1A [Mus musculus]" . . . . . 100.00 227 97.12 98.56 3.30e-94 . . . . 19282 1 12 no REF NP_001153374 . "killer cell lectin-like receptor subfamily B member 1A isoform 2 [Mus musculus]" . . . . . 100.00 200 100.00 100.00 2.85e-97 . . . . 19282 1 13 no REF NP_034867 . "killer cell lectin-like receptor subfamily B member 1A isoform 1 [Mus musculus]" . . . . . 100.00 233 100.00 100.00 2.92e-97 . . . . 19282 1 14 no SP P27811 . "RecName: Full=Killer cell lectin-like receptor subfamily B member 1A; Short=NKR-P1A; AltName: Full=CD161 antigen-like family me" . . . . . 100.00 227 98.56 98.56 2.28e-95 . . . . 19282 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 . SER . 19282 1 2 . ALA . 19282 1 3 . LYS . 19282 1 4 . LEU . 19282 1 5 . GLU . 19282 1 6 . CYS . 19282 1 7 . PRO . 19282 1 8 . GLN . 19282 1 9 . ASP . 19282 1 10 . TRP . 19282 1 11 . LEU . 19282 1 12 . SER . 19282 1 13 . HIS . 19282 1 14 . ARG . 19282 1 15 . ASP . 19282 1 16 . LYS . 19282 1 17 . CYS . 19282 1 18 . PHE . 19282 1 19 . HIS . 19282 1 20 . VAL . 19282 1 21 . SER . 19282 1 22 . GLN . 19282 1 23 . VAL . 19282 1 24 . SER . 19282 1 25 . ASN . 19282 1 26 . THR . 19282 1 27 . TRP . 19282 1 28 . GLU . 19282 1 29 . GLU . 19282 1 30 . GLY . 19282 1 31 . LEU . 19282 1 32 . VAL . 19282 1 33 . ASP . 19282 1 34 . CYS . 19282 1 35 . ASP . 19282 1 36 . GLY . 19282 1 37 . LYS . 19282 1 38 . GLY . 19282 1 39 . ALA . 19282 1 40 . THR . 19282 1 41 . LEU . 19282 1 42 . MET . 19282 1 43 . LEU . 19282 1 44 . ILE . 19282 1 45 . GLN . 19282 1 46 . ASP . 19282 1 47 . GLN . 19282 1 48 . GLU . 19282 1 49 . GLU . 19282 1 50 . LEU . 19282 1 51 . ARG . 19282 1 52 . PHE . 19282 1 53 . LEU . 19282 1 54 . LEU . 19282 1 55 . ASP . 19282 1 56 . SER . 19282 1 57 . ILE . 19282 1 58 . LYS . 19282 1 59 . GLU . 19282 1 60 . LYS . 19282 1 61 . TYR . 19282 1 62 . ASN . 19282 1 63 . SER . 19282 1 64 . PHE . 19282 1 65 . TRP . 19282 1 66 . ILE . 19282 1 67 . GLY . 19282 1 68 . LEU . 19282 1 69 . ARG . 19282 1 70 . TYR . 19282 1 71 . THR . 19282 1 72 . LEU . 19282 1 73 . PRO . 19282 1 74 . ASP . 19282 1 75 . MET . 19282 1 76 . ASN . 19282 1 77 . TRP . 19282 1 78 . LYS . 19282 1 79 . TRP . 19282 1 80 . ILE . 19282 1 81 . ASN . 19282 1 82 . GLY . 19282 1 83 . SER . 19282 1 84 . THR . 19282 1 85 . LEU . 19282 1 86 . ASN . 19282 1 87 . SER . 19282 1 88 . ASP . 19282 1 89 . VAL . 19282 1 90 . LEU . 19282 1 91 . LYS . 19282 1 92 . ILE . 19282 1 93 . THR . 19282 1 94 . GLY . 19282 1 95 . ASP . 19282 1 96 . THR . 19282 1 97 . GLU . 19282 1 98 . ASN . 19282 1 99 . ASP . 19282 1 100 . SER . 19282 1 101 . CYS . 19282 1 102 . ALA . 19282 1 103 . ALA . 19282 1 104 . ILE . 19282 1 105 . SER . 19282 1 106 . GLY . 19282 1 107 . ASP . 19282 1 108 . LYS . 19282 1 109 . VAL . 19282 1 110 . THR . 19282 1 111 . PHE . 19282 1 112 . GLU . 19282 1 113 . SER . 19282 1 114 . CYS . 19282 1 115 . ASN . 19282 1 116 . SER . 19282 1 117 . ASP . 19282 1 118 . ASN . 19282 1 119 . ARG . 19282 1 120 . TRP . 19282 1 121 . ILE . 19282 1 122 . CYS . 19282 1 123 . GLN . 19282 1 124 . LYS . 19282 1 125 . GLU . 19282 1 126 . LEU . 19282 1 127 . TYR . 19282 1 128 . HIS . 19282 1 129 . GLU . 19282 1 130 . THR . 19282 1 131 . LEU . 19282 1 132 . SER . 19282 1 133 . ASN . 19282 1 134 . TYR . 19282 1 135 . VAL . 19282 1 136 . GLY . 19282 1 137 . TYR . 19282 1 138 . GLY . 19282 1 139 . HIS . 19282 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 . SER 1 1 19282 1 . ALA 2 2 19282 1 . LYS 3 3 19282 1 . LEU 4 4 19282 1 . GLU 5 5 19282 1 . CYS 6 6 19282 1 . PRO 7 7 19282 1 . GLN 8 8 19282 1 . ASP 9 9 19282 1 . TRP 10 10 19282 1 . LEU 11 11 19282 1 . SER 12 12 19282 1 . HIS 13 13 19282 1 . ARG 14 14 19282 1 . ASP 15 15 19282 1 . LYS 16 16 19282 1 . CYS 17 17 19282 1 . PHE 18 18 19282 1 . HIS 19 19 19282 1 . VAL 20 20 19282 1 . SER 21 21 19282 1 . GLN 22 22 19282 1 . VAL 23 23 19282 1 . SER 24 24 19282 1 . ASN 25 25 19282 1 . THR 26 26 19282 1 . TRP 27 27 19282 1 . GLU 28 28 19282 1 . GLU 29 29 19282 1 . GLY 30 30 19282 1 . LEU 31 31 19282 1 . VAL 32 32 19282 1 . ASP 33 33 19282 1 . CYS 34 34 19282 1 . ASP 35 35 19282 1 . GLY 36 36 19282 1 . LYS 37 37 19282 1 . GLY 38 38 19282 1 . ALA 39 39 19282 1 . THR 40 40 19282 1 . LEU 41 41 19282 1 . MET 42 42 19282 1 . LEU 43 43 19282 1 . ILE 44 44 19282 1 . GLN 45 45 19282 1 . ASP 46 46 19282 1 . GLN 47 47 19282 1 . GLU 48 48 19282 1 . GLU 49 49 19282 1 . LEU 50 50 19282 1 . ARG 51 51 19282 1 . PHE 52 52 19282 1 . LEU 53 53 19282 1 . LEU 54 54 19282 1 . ASP 55 55 19282 1 . SER 56 56 19282 1 . ILE 57 57 19282 1 . LYS 58 58 19282 1 . GLU 59 59 19282 1 . LYS 60 60 19282 1 . TYR 61 61 19282 1 . ASN 62 62 19282 1 . SER 63 63 19282 1 . PHE 64 64 19282 1 . TRP 65 65 19282 1 . ILE 66 66 19282 1 . GLY 67 67 19282 1 . LEU 68 68 19282 1 . ARG 69 69 19282 1 . TYR 70 70 19282 1 . THR 71 71 19282 1 . LEU 72 72 19282 1 . PRO 73 73 19282 1 . ASP 74 74 19282 1 . MET 75 75 19282 1 . ASN 76 76 19282 1 . TRP 77 77 19282 1 . LYS 78 78 19282 1 . TRP 79 79 19282 1 . ILE 80 80 19282 1 . ASN 81 81 19282 1 . GLY 82 82 19282 1 . SER 83 83 19282 1 . THR 84 84 19282 1 . LEU 85 85 19282 1 . ASN 86 86 19282 1 . SER 87 87 19282 1 . ASP 88 88 19282 1 . VAL 89 89 19282 1 . LEU 90 90 19282 1 . LYS 91 91 19282 1 . ILE 92 92 19282 1 . THR 93 93 19282 1 . GLY 94 94 19282 1 . ASP 95 95 19282 1 . THR 96 96 19282 1 . GLU 97 97 19282 1 . ASN 98 98 19282 1 . ASP 99 99 19282 1 . SER 100 100 19282 1 . CYS 101 101 19282 1 . ALA 102 102 19282 1 . ALA 103 103 19282 1 . ILE 104 104 19282 1 . SER 105 105 19282 1 . GLY 106 106 19282 1 . ASP 107 107 19282 1 . LYS 108 108 19282 1 . VAL 109 109 19282 1 . THR 110 110 19282 1 . PHE 111 111 19282 1 . GLU 112 112 19282 1 . SER 113 113 19282 1 . CYS 114 114 19282 1 . ASN 115 115 19282 1 . SER 116 116 19282 1 . ASP 117 117 19282 1 . ASN 118 118 19282 1 . ARG 119 119 19282 1 . TRP 120 120 19282 1 . ILE 121 121 19282 1 . CYS 122 122 19282 1 . GLN 123 123 19282 1 . LYS 124 124 19282 1 . GLU 125 125 19282 1 . LEU 126 126 19282 1 . TYR 127 127 19282 1 . HIS 128 128 19282 1 . GLU 129 129 19282 1 . THR 130 130 19282 1 . LEU 131 131 19282 1 . SER 132 132 19282 1 . ASN 133 133 19282 1 . TYR 134 134 19282 1 . VAL 135 135 19282 1 . GLY 136 136 19282 1 . TYR 137 137 19282 1 . GLY 138 138 19282 1 . HIS 139 139 19282 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 19282 _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 $NKR-P1A . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus C57BL/6 . . . . . . . . . . . . . . . . . . . . 19282 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 19282 _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 $NKR-P1A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-30a(+) . . . . . . 19282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 19282 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NKR-P1A '[U-100% 13C; U-100% 15N]' . . 1 $NKR-P1A . . 0.5 . . mM . . . . 19282 1 2 PIPES 'natural abundance' . . . . . . 15 . . mM . . . . 19282 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19282 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19282 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19282 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19282 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 19282 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 19282 1 pressure 1 . atm 19282 1 temperature 303 . K 19282 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19282 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19282 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19282 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19282 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19282 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19282 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19282 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19282 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19282 3 'data analysis' 19282 3 'peak picking' 19282 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19282 _Software.ID 4 _Software.Name ARIA _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19282 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19282 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19282 _Software.ID 5 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19282 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19282 5 stop_ save_ save_RECOORD _Software.Sf_category software _Software.Sf_framecode RECOORD _Software.Entry_ID 19282 _Software.ID 6 _Software.Name RECOORD _Software.Version . _Software.Details 'using CNS 1.3' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19282 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19282 6 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 19282 _Software.ID 7 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CING) Vuister, Doreleijer, da Silva' . . 19282 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 19282 7 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 19282 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19282 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19282 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 19282 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 7 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 8 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 10 '3D (H)C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 11 '3D HCCH-TOCSY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 13 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 14 '3D HCCH-TOCSY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 15 '2D (HB)CB(CGCD)HD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 16 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 17 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19282 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19282 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19282 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19282 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19282 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19282 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19282 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19282 1 3 '3D CBCA(CO)NH' . . . 19282 1 4 '3D HNCACB' . . . 19282 1 5 '3D HNCA' . . . 19282 1 6 '3D HN(CO)CA' . . . 19282 1 7 '3D HNCO' . . . 19282 1 8 '3D HN(CA)CO' . . . 19282 1 9 '3D H(CCO)NH' . . . 19282 1 10 '3D (H)C(CO)NH' . . . 19282 1 14 '3D HCCH-TOCSY aromatic' . . . 19282 1 14 '3D HCCH-TOCSY aromatic' . . . 19282 1 15 '2D (HB)CB(CGCD)HD' . . . 19282 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.384 0.002 . . . . . A 2 ALA HA . 19282 1 2 . 1 1 2 2 ALA HB1 H 1 1.395 0.001 . . . . . A 2 ALA HB1 . 19282 1 3 . 1 1 2 2 ALA HB2 H 1 1.395 0.001 . . . . . A 2 ALA HB2 . 19282 1 4 . 1 1 2 2 ALA HB3 H 1 1.395 0.001 . . . . . A 2 ALA HB3 . 19282 1 5 . 1 1 2 2 ALA C C 13 177.184 0.000 . . . . . A 2 ALA C . 19282 1 6 . 1 1 2 2 ALA CA C 13 52.459 0.080 . . . . . A 2 ALA CA . 19282 1 7 . 1 1 2 2 ALA CB C 13 19.488 0.063 . . . . . A 2 ALA CB . 19282 1 8 . 1 1 3 3 LYS H H 1 8.272 0.002 . . . . . A 3 LYS H . 19282 1 9 . 1 1 3 3 LYS HA H 1 4.319 0.002 . . . . . A 3 LYS HA . 19282 1 10 . 1 1 3 3 LYS HB2 H 1 1.766 0.006 . . . . . A 3 LYS HB2 . 19282 1 11 . 1 1 3 3 LYS HB3 H 1 1.766 0.006 . . . . . A 3 LYS HB3 . 19282 1 12 . 1 1 3 3 LYS HG2 H 1 1.398 0.005 . . . . . A 3 LYS HG2 . 19282 1 13 . 1 1 3 3 LYS HG3 H 1 1.398 0.005 . . . . . A 3 LYS HG3 . 19282 1 14 . 1 1 3 3 LYS HD2 H 1 1.665 0.003 . . . . . A 3 LYS HD2 . 19282 1 15 . 1 1 3 3 LYS HD3 H 1 1.665 0.003 . . . . . A 3 LYS HD3 . 19282 1 16 . 1 1 3 3 LYS HE2 H 1 2.984 0.007 . . . . . A 3 LYS HE2 . 19282 1 17 . 1 1 3 3 LYS HE3 H 1 2.984 0.007 . . . . . A 3 LYS HE3 . 19282 1 18 . 1 1 3 3 LYS C C 13 176.038 0.006 . . . . . A 3 LYS C . 19282 1 19 . 1 1 3 3 LYS CA C 13 56.188 0.058 . . . . . A 3 LYS CA . 19282 1 20 . 1 1 3 3 LYS CB C 13 33.261 0.066 . . . . . A 3 LYS CB . 19282 1 21 . 1 1 3 3 LYS CG C 13 24.729 0.063 . . . . . A 3 LYS CG . 19282 1 22 . 1 1 3 3 LYS CD C 13 29.044 0.062 . . . . . A 3 LYS CD . 19282 1 23 . 1 1 3 3 LYS CE C 13 42.281 0.086 . . . . . A 3 LYS CE . 19282 1 24 . 1 1 3 3 LYS N N 15 120.996 0.028 . . . . . A 3 LYS N . 19282 1 25 . 1 1 4 4 LEU H H 1 8.247 0.006 . . . . . A 4 LEU H . 19282 1 26 . 1 1 4 4 LEU HA H 1 4.396 0.003 . . . . . A 4 LEU HA . 19282 1 27 . 1 1 4 4 LEU HB2 H 1 1.547 0.005 . . . . . A 4 LEU HB2 . 19282 1 28 . 1 1 4 4 LEU HB3 H 1 1.482 0.003 . . . . . A 4 LEU HB3 . 19282 1 29 . 1 1 4 4 LEU HG H 1 1.557 0.006 . . . . . A 4 LEU HG . 19282 1 30 . 1 1 4 4 LEU HD11 H 1 0.816 0.005 . . . . . A 4 LEU HD11 . 19282 1 31 . 1 1 4 4 LEU HD12 H 1 0.816 0.005 . . . . . A 4 LEU HD12 . 19282 1 32 . 1 1 4 4 LEU HD13 H 1 0.816 0.005 . . . . . A 4 LEU HD13 . 19282 1 33 . 1 1 4 4 LEU HD21 H 1 0.801 0.003 . . . . . A 4 LEU HD21 . 19282 1 34 . 1 1 4 4 LEU HD22 H 1 0.801 0.003 . . . . . A 4 LEU HD22 . 19282 1 35 . 1 1 4 4 LEU HD23 H 1 0.801 0.003 . . . . . A 4 LEU HD23 . 19282 1 36 . 1 1 4 4 LEU C C 13 175.745 0.001 . . . . . A 4 LEU C . 19282 1 37 . 1 1 4 4 LEU CA C 13 54.792 0.031 . . . . . A 4 LEU CA . 19282 1 38 . 1 1 4 4 LEU CB C 13 42.683 0.023 . . . . . A 4 LEU CB . 19282 1 39 . 1 1 4 4 LEU CG C 13 26.997 0.040 . . . . . A 4 LEU CG . 19282 1 40 . 1 1 4 4 LEU CD1 C 13 25.089 0.102 . . . . . A 4 LEU CD1 . 19282 1 41 . 1 1 4 4 LEU CD2 C 13 23.725 0.038 . . . . . A 4 LEU CD2 . 19282 1 42 . 1 1 4 4 LEU N N 15 124.847 0.075 . . . . . A 4 LEU N . 19282 1 43 . 1 1 5 5 GLU H H 1 8.093 0.002 . . . . . A 5 GLU H . 19282 1 44 . 1 1 5 5 GLU HA H 1 4.519 0.006 . . . . . A 5 GLU HA . 19282 1 45 . 1 1 5 5 GLU HB2 H 1 2.058 0.004 . . . . . A 5 GLU HB2 . 19282 1 46 . 1 1 5 5 GLU HB3 H 1 1.824 0.005 . . . . . A 5 GLU HB3 . 19282 1 47 . 1 1 5 5 GLU HG2 H 1 2.197 0.003 . . . . . A 5 GLU HG2 . 19282 1 48 . 1 1 5 5 GLU HG3 H 1 2.197 0.003 . . . . . A 5 GLU HG3 . 19282 1 49 . 1 1 5 5 GLU C C 13 176.076 0.001 . . . . . A 5 GLU C . 19282 1 50 . 1 1 5 5 GLU CA C 13 54.997 0.049 . . . . . A 5 GLU CA . 19282 1 51 . 1 1 5 5 GLU CB C 13 32.353 0.105 . . . . . A 5 GLU CB . 19282 1 52 . 1 1 5 5 GLU CG C 13 36.114 0.115 . . . . . A 5 GLU CG . 19282 1 53 . 1 1 5 5 GLU N N 15 120.599 0.038 . . . . . A 5 GLU N . 19282 1 54 . 1 1 6 6 CYS H H 1 8.750 0.002 . . . . . A 6 CYS H . 19282 1 55 . 1 1 6 6 CYS HA H 1 4.736 0.004 . . . . . A 6 CYS HA . 19282 1 56 . 1 1 6 6 CYS HB2 H 1 2.893 0.002 . . . . . A 6 CYS HB2 . 19282 1 57 . 1 1 6 6 CYS HB3 H 1 2.790 0.000 . . . . . A 6 CYS HB3 . 19282 1 58 . 1 1 6 6 CYS C C 13 172.237 0.000 . . . . . A 6 CYS C . 19282 1 59 . 1 1 6 6 CYS CA C 13 53.218 0.039 . . . . . A 6 CYS CA . 19282 1 60 . 1 1 6 6 CYS CB C 13 37.445 0.007 . . . . . A 6 CYS CB . 19282 1 61 . 1 1 6 6 CYS N N 15 120.079 0.052 . . . . . A 6 CYS N . 19282 1 62 . 1 1 7 7 PRO HA H 1 4.349 0.002 . . . . . A 7 PRO HA . 19282 1 63 . 1 1 7 7 PRO HB2 H 1 2.162 0.003 . . . . . A 7 PRO HB2 . 19282 1 64 . 1 1 7 7 PRO HB3 H 1 1.339 0.004 . . . . . A 7 PRO HB3 . 19282 1 65 . 1 1 7 7 PRO HG2 H 1 1.446 0.005 . . . . . A 7 PRO HG2 . 19282 1 66 . 1 1 7 7 PRO HG3 H 1 0.552 0.004 . . . . . A 7 PRO HG3 . 19282 1 67 . 1 1 7 7 PRO HD2 H 1 3.552 0.004 . . . . . A 7 PRO HD2 . 19282 1 68 . 1 1 7 7 PRO HD3 H 1 2.568 0.004 . . . . . A 7 PRO HD3 . 19282 1 69 . 1 1 7 7 PRO C C 13 176.014 0.000 . . . . . A 7 PRO C . 19282 1 70 . 1 1 7 7 PRO CA C 13 62.472 0.043 . . . . . A 7 PRO CA . 19282 1 71 . 1 1 7 7 PRO CB C 13 31.201 0.034 . . . . . A 7 PRO CB . 19282 1 72 . 1 1 7 7 PRO CG C 13 27.068 0.057 . . . . . A 7 PRO CG . 19282 1 73 . 1 1 7 7 PRO CD C 13 49.713 0.061 . . . . . A 7 PRO CD . 19282 1 74 . 1 1 8 8 GLN H H 1 8.443 0.001 . . . . . A 8 GLN H . 19282 1 75 . 1 1 8 8 GLN HA H 1 4.108 0.004 . . . . . A 8 GLN HA . 19282 1 76 . 1 1 8 8 GLN HB2 H 1 2.165 0.002 . . . . . A 8 GLN HB2 . 19282 1 77 . 1 1 8 8 GLN HB3 H 1 2.044 0.003 . . . . . A 8 GLN HB3 . 19282 1 78 . 1 1 8 8 GLN HG2 H 1 2.485 0.003 . . . . . A 8 GLN HG2 . 19282 1 79 . 1 1 8 8 GLN HG3 H 1 2.485 0.003 . . . . . A 8 GLN HG3 . 19282 1 80 . 1 1 8 8 GLN HE21 H 1 7.686 0.002 . . . . . A 8 GLN HE21 . 19282 1 81 . 1 1 8 8 GLN HE22 H 1 6.886 0.002 . . . . . A 8 GLN HE22 . 19282 1 82 . 1 1 8 8 GLN C C 13 176.701 0.003 . . . . . A 8 GLN C . 19282 1 83 . 1 1 8 8 GLN CA C 13 58.086 0.053 . . . . . A 8 GLN CA . 19282 1 84 . 1 1 8 8 GLN CB C 13 28.843 0.043 . . . . . A 8 GLN CB . 19282 1 85 . 1 1 8 8 GLN CG C 13 33.604 0.043 . . . . . A 8 GLN CG . 19282 1 86 . 1 1 8 8 GLN N N 15 120.940 0.074 . . . . . A 8 GLN N . 19282 1 87 . 1 1 8 8 GLN NE2 N 15 112.771 0.053 . . . . . A 8 GLN NE2 . 19282 1 88 . 1 1 9 9 ASP H H 1 9.023 0.002 . . . . . A 9 ASP H . 19282 1 89 . 1 1 9 9 ASP HA H 1 4.516 0.002 . . . . . A 9 ASP HA . 19282 1 90 . 1 1 9 9 ASP HB2 H 1 3.344 0.003 . . . . . A 9 ASP HB2 . 19282 1 91 . 1 1 9 9 ASP HB3 H 1 3.025 0.012 . . . . . A 9 ASP HB3 . 19282 1 92 . 1 1 9 9 ASP C C 13 176.201 0.001 . . . . . A 9 ASP C . 19282 1 93 . 1 1 9 9 ASP CA C 13 56.613 0.050 . . . . . A 9 ASP CA . 19282 1 94 . 1 1 9 9 ASP CB C 13 39.412 0.056 . . . . . A 9 ASP CB . 19282 1 95 . 1 1 9 9 ASP N N 15 116.982 0.019 . . . . . A 9 ASP N . 19282 1 96 . 1 1 10 10 TRP H H 1 8.440 0.002 . . . . . A 10 TRP H . 19282 1 97 . 1 1 10 10 TRP HA H 1 5.063 0.005 . . . . . A 10 TRP HA . 19282 1 98 . 1 1 10 10 TRP HB2 H 1 3.292 0.007 . . . . . A 10 TRP HB2 . 19282 1 99 . 1 1 10 10 TRP HB3 H 1 3.234 0.004 . . . . . A 10 TRP HB3 . 19282 1 100 . 1 1 10 10 TRP HD1 H 1 7.609 0.003 . . . . . A 10 TRP HD1 . 19282 1 101 . 1 1 10 10 TRP HE1 H 1 10.315 0.002 . . . . . A 10 TRP HE1 . 19282 1 102 . 1 1 10 10 TRP HE3 H 1 7.145 0.003 . . . . . A 10 TRP HE3 . 19282 1 103 . 1 1 10 10 TRP HZ2 H 1 7.240 0.005 . . . . . A 10 TRP HZ2 . 19282 1 104 . 1 1 10 10 TRP HZ3 H 1 6.674 0.006 . . . . . A 10 TRP HZ3 . 19282 1 105 . 1 1 10 10 TRP HH2 H 1 6.655 0.005 . . . . . A 10 TRP HH2 . 19282 1 106 . 1 1 10 10 TRP C C 13 175.997 0.000 . . . . . A 10 TRP C . 19282 1 107 . 1 1 10 10 TRP CA C 13 57.664 0.046 . . . . . A 10 TRP CA . 19282 1 108 . 1 1 10 10 TRP CB C 13 29.075 0.043 . . . . . A 10 TRP CB . 19282 1 109 . 1 1 10 10 TRP CD1 C 13 128.146 0.080 . . . . . A 10 TRP CD1 . 19282 1 110 . 1 1 10 10 TRP CE3 C 13 120.831 0.042 . . . . . A 10 TRP CE3 . 19282 1 111 . 1 1 10 10 TRP CZ2 C 13 114.423 0.066 . . . . . A 10 TRP CZ2 . 19282 1 112 . 1 1 10 10 TRP CZ3 C 13 120.917 0.112 . . . . . A 10 TRP CZ3 . 19282 1 113 . 1 1 10 10 TRP CH2 C 13 122.279 0.076 . . . . . A 10 TRP CH2 . 19282 1 114 . 1 1 10 10 TRP N N 15 121.568 0.078 . . . . . A 10 TRP N . 19282 1 115 . 1 1 10 10 TRP NE1 N 15 131.880 0.044 . . . . . A 10 TRP NE1 . 19282 1 116 . 1 1 11 11 LEU H H 1 9.613 0.003 . . . . . A 11 LEU H . 19282 1 117 . 1 1 11 11 LEU HA H 1 4.764 0.007 . . . . . A 11 LEU HA . 19282 1 118 . 1 1 11 11 LEU HB2 H 1 1.858 0.005 . . . . . A 11 LEU HB2 . 19282 1 119 . 1 1 11 11 LEU HB3 H 1 1.858 0.005 . . . . . A 11 LEU HB3 . 19282 1 120 . 1 1 11 11 LEU HG H 1 1.866 0.002 . . . . . A 11 LEU HG . 19282 1 121 . 1 1 11 11 LEU HD11 H 1 0.972 0.002 . . . . . A 11 LEU HD11 . 19282 1 122 . 1 1 11 11 LEU HD12 H 1 0.972 0.002 . . . . . A 11 LEU HD12 . 19282 1 123 . 1 1 11 11 LEU HD13 H 1 0.972 0.002 . . . . . A 11 LEU HD13 . 19282 1 124 . 1 1 11 11 LEU HD21 H 1 0.887 0.002 . . . . . A 11 LEU HD21 . 19282 1 125 . 1 1 11 11 LEU HD22 H 1 0.887 0.002 . . . . . A 11 LEU HD22 . 19282 1 126 . 1 1 11 11 LEU HD23 H 1 0.887 0.002 . . . . . A 11 LEU HD23 . 19282 1 127 . 1 1 11 11 LEU C C 13 176.837 0.003 . . . . . A 11 LEU C . 19282 1 128 . 1 1 11 11 LEU CA C 13 54.607 0.028 . . . . . A 11 LEU CA . 19282 1 129 . 1 1 11 11 LEU CB C 13 44.386 0.031 . . . . . A 11 LEU CB . 19282 1 130 . 1 1 11 11 LEU CG C 13 27.459 0.078 . . . . . A 11 LEU CG . 19282 1 131 . 1 1 11 11 LEU CD1 C 13 23.526 0.056 . . . . . A 11 LEU CD1 . 19282 1 132 . 1 1 11 11 LEU CD2 C 13 25.000 0.046 . . . . . A 11 LEU CD2 . 19282 1 133 . 1 1 11 11 LEU N N 15 123.195 0.025 . . . . . A 11 LEU N . 19282 1 134 . 1 1 12 12 SER H H 1 8.733 0.002 . . . . . A 12 SER H . 19282 1 135 . 1 1 12 12 SER HA H 1 5.389 0.002 . . . . . A 12 SER HA . 19282 1 136 . 1 1 12 12 SER HB2 H 1 3.896 0.004 . . . . . A 12 SER HB2 . 19282 1 137 . 1 1 12 12 SER HB3 H 1 3.896 0.004 . . . . . A 12 SER HB3 . 19282 1 138 . 1 1 12 12 SER C C 13 174.164 0.002 . . . . . A 12 SER C . 19282 1 139 . 1 1 12 12 SER CA C 13 57.066 0.029 . . . . . A 12 SER CA . 19282 1 140 . 1 1 12 12 SER CB C 13 65.488 0.031 . . . . . A 12 SER CB . 19282 1 141 . 1 1 12 12 SER N N 15 116.705 0.033 . . . . . A 12 SER N . 19282 1 142 . 1 1 13 13 HIS H H 1 8.303 0.003 . . . . . A 13 HIS H . 19282 1 143 . 1 1 13 13 HIS HA H 1 4.305 0.002 . . . . . A 13 HIS HA . 19282 1 144 . 1 1 13 13 HIS HB2 H 1 2.682 0.003 . . . . . A 13 HIS HB2 . 19282 1 145 . 1 1 13 13 HIS HB3 H 1 2.186 0.004 . . . . . A 13 HIS HB3 . 19282 1 146 . 1 1 13 13 HIS HD2 H 1 6.764 0.002 . . . . . A 13 HIS HD2 . 19282 1 147 . 1 1 13 13 HIS HE1 H 1 7.753 0.004 . . . . . A 13 HIS HE1 . 19282 1 148 . 1 1 13 13 HIS C C 13 173.536 0.002 . . . . . A 13 HIS C . 19282 1 149 . 1 1 13 13 HIS CA C 13 57.277 0.037 . . . . . A 13 HIS CA . 19282 1 150 . 1 1 13 13 HIS CB C 13 31.952 0.042 . . . . . A 13 HIS CB . 19282 1 151 . 1 1 13 13 HIS CD2 C 13 121.802 0.067 . . . . . A 13 HIS CD2 . 19282 1 152 . 1 1 13 13 HIS CE1 C 13 137.164 0.013 . . . . . A 13 HIS CE1 . 19282 1 153 . 1 1 13 13 HIS N N 15 123.615 0.044 . . . . . A 13 HIS N . 19282 1 154 . 1 1 14 14 ARG H H 1 8.858 0.001 . . . . . A 14 ARG H . 19282 1 155 . 1 1 14 14 ARG HA H 1 3.522 0.003 . . . . . A 14 ARG HA . 19282 1 156 . 1 1 14 14 ARG HB2 H 1 1.749 0.006 . . . . . A 14 ARG HB2 . 19282 1 157 . 1 1 14 14 ARG HB3 H 1 1.749 0.006 . . . . . A 14 ARG HB3 . 19282 1 158 . 1 1 14 14 ARG HG2 H 1 1.239 0.002 . . . . . A 14 ARG HG2 . 19282 1 159 . 1 1 14 14 ARG HG3 H 1 0.666 0.001 . . . . . A 14 ARG HG3 . 19282 1 160 . 1 1 14 14 ARG HD2 H 1 3.039 0.001 . . . . . A 14 ARG HD2 . 19282 1 161 . 1 1 14 14 ARG HD3 H 1 3.039 0.001 . . . . . A 14 ARG HD3 . 19282 1 162 . 1 1 14 14 ARG C C 13 175.434 0.000 . . . . . A 14 ARG C . 19282 1 163 . 1 1 14 14 ARG CA C 13 58.414 0.016 . . . . . A 14 ARG CA . 19282 1 164 . 1 1 14 14 ARG CB C 13 27.782 0.079 . . . . . A 14 ARG CB . 19282 1 165 . 1 1 14 14 ARG CG C 13 26.686 0.067 . . . . . A 14 ARG CG . 19282 1 166 . 1 1 14 14 ARG CD C 13 43.725 0.041 . . . . . A 14 ARG CD . 19282 1 167 . 1 1 14 14 ARG N N 15 125.609 0.045 . . . . . A 14 ARG N . 19282 1 168 . 1 1 15 15 ASP HA H 1 4.763 0.014 . . . . . A 15 ASP HA . 19282 1 169 . 1 1 15 15 ASP HB2 H 1 2.933 0.004 . . . . . A 15 ASP HB2 . 19282 1 170 . 1 1 15 15 ASP HB3 H 1 2.840 0.002 . . . . . A 15 ASP HB3 . 19282 1 171 . 1 1 15 15 ASP C C 13 174.250 0.002 . . . . . A 15 ASP C . 19282 1 172 . 1 1 15 15 ASP CA C 13 54.485 0.038 . . . . . A 15 ASP CA . 19282 1 173 . 1 1 15 15 ASP CB C 13 40.448 0.063 . . . . . A 15 ASP CB . 19282 1 174 . 1 1 16 16 LYS H H 1 8.289 0.002 . . . . . A 16 LYS H . 19282 1 175 . 1 1 16 16 LYS HA H 1 5.016 0.004 . . . . . A 16 LYS HA . 19282 1 176 . 1 1 16 16 LYS HB2 H 1 1.753 0.003 . . . . . A 16 LYS HB2 . 19282 1 177 . 1 1 16 16 LYS HB3 H 1 1.297 0.005 . . . . . A 16 LYS HB3 . 19282 1 178 . 1 1 16 16 LYS HG2 H 1 1.562 0.005 . . . . . A 16 LYS HG2 . 19282 1 179 . 1 1 16 16 LYS HG3 H 1 1.238 0.006 . . . . . A 16 LYS HG3 . 19282 1 180 . 1 1 16 16 LYS HD2 H 1 1.855 0.003 . . . . . A 16 LYS HD2 . 19282 1 181 . 1 1 16 16 LYS HD3 H 1 1.578 0.005 . . . . . A 16 LYS HD3 . 19282 1 182 . 1 1 16 16 LYS HE2 H 1 2.981 0.001 . . . . . A 16 LYS HE2 . 19282 1 183 . 1 1 16 16 LYS HE3 H 1 2.896 0.002 . . . . . A 16 LYS HE3 . 19282 1 184 . 1 1 16 16 LYS C C 13 175.472 0.002 . . . . . A 16 LYS C . 19282 1 185 . 1 1 16 16 LYS CA C 13 55.564 0.037 . . . . . A 16 LYS CA . 19282 1 186 . 1 1 16 16 LYS CB C 13 38.305 0.039 . . . . . A 16 LYS CB . 19282 1 187 . 1 1 16 16 LYS CG C 13 26.360 0.035 . . . . . A 16 LYS CG . 19282 1 188 . 1 1 16 16 LYS CD C 13 30.472 0.057 . . . . . A 16 LYS CD . 19282 1 189 . 1 1 16 16 LYS CE C 13 42.444 0.000 . . . . . A 16 LYS CE . 19282 1 190 . 1 1 16 16 LYS N N 15 118.266 0.039 . . . . . A 16 LYS N . 19282 1 191 . 1 1 17 17 CYS H H 1 8.492 0.002 . . . . . A 17 CYS H . 19282 1 192 . 1 1 17 17 CYS HA H 1 5.934 0.003 . . . . . A 17 CYS HA . 19282 1 193 . 1 1 17 17 CYS HB2 H 1 3.186 0.005 . . . . . A 17 CYS HB2 . 19282 1 194 . 1 1 17 17 CYS HB3 H 1 2.593 0.004 . . . . . A 17 CYS HB3 . 19282 1 195 . 1 1 17 17 CYS C C 13 174.859 0.001 . . . . . A 17 CYS C . 19282 1 196 . 1 1 17 17 CYS CA C 13 52.547 0.023 . . . . . A 17 CYS CA . 19282 1 197 . 1 1 17 17 CYS CB C 13 43.197 0.053 . . . . . A 17 CYS CB . 19282 1 198 . 1 1 17 17 CYS N N 15 118.232 0.045 . . . . . A 17 CYS N . 19282 1 199 . 1 1 18 18 PHE H H 1 10.029 0.005 . . . . . A 18 PHE H . 19282 1 200 . 1 1 18 18 PHE HA H 1 6.246 0.005 . . . . . A 18 PHE HA . 19282 1 201 . 1 1 18 18 PHE HB2 H 1 3.050 0.003 . . . . . A 18 PHE HB2 . 19282 1 202 . 1 1 18 18 PHE HB3 H 1 2.946 0.006 . . . . . A 18 PHE HB3 . 19282 1 203 . 1 1 18 18 PHE HD1 H 1 7.246 0.004 . . . . . A 18 PHE HD1 . 19282 1 204 . 1 1 18 18 PHE HD2 H 1 7.246 0.004 . . . . . A 18 PHE HD2 . 19282 1 205 . 1 1 18 18 PHE HE1 H 1 7.317 0.008 . . . . . A 18 PHE HE1 . 19282 1 206 . 1 1 18 18 PHE HE2 H 1 7.317 0.008 . . . . . A 18 PHE HE2 . 19282 1 207 . 1 1 18 18 PHE HZ H 1 7.450 0.003 . . . . . A 18 PHE HZ . 19282 1 208 . 1 1 18 18 PHE C C 13 174.238 0.002 . . . . . A 18 PHE C . 19282 1 209 . 1 1 18 18 PHE CA C 13 56.427 0.078 . . . . . A 18 PHE CA . 19282 1 210 . 1 1 18 18 PHE CB C 13 43.190 0.032 . . . . . A 18 PHE CB . 19282 1 211 . 1 1 18 18 PHE CD1 C 13 131.696 0.083 . . . . . A 18 PHE CD1 . 19282 1 212 . 1 1 18 18 PHE CD2 C 13 131.696 0.083 . . . . . A 18 PHE CD2 . 19282 1 213 . 1 1 18 18 PHE CE1 C 13 131.566 0.133 . . . . . A 18 PHE CE1 . 19282 1 214 . 1 1 18 18 PHE CE2 C 13 131.566 0.133 . . . . . A 18 PHE CE2 . 19282 1 215 . 1 1 18 18 PHE CZ C 13 129.981 0.025 . . . . . A 18 PHE CZ . 19282 1 216 . 1 1 18 18 PHE N N 15 121.121 0.034 . . . . . A 18 PHE N . 19282 1 217 . 1 1 19 19 HIS H H 1 8.624 0.002 . . . . . A 19 HIS H . 19282 1 218 . 1 1 19 19 HIS HA H 1 4.363 0.004 . . . . . A 19 HIS HA . 19282 1 219 . 1 1 19 19 HIS HB2 H 1 1.252 0.005 . . . . . A 19 HIS HB2 . 19282 1 220 . 1 1 19 19 HIS HB3 H 1 0.152 0.005 . . . . . A 19 HIS HB3 . 19282 1 221 . 1 1 19 19 HIS HE1 H 1 7.584 0.007 . . . . . A 19 HIS HE1 . 19282 1 222 . 1 1 19 19 HIS C C 13 172.933 0.002 . . . . . A 19 HIS C . 19282 1 223 . 1 1 19 19 HIS CA C 13 55.082 0.071 . . . . . A 19 HIS CA . 19282 1 224 . 1 1 19 19 HIS CB C 13 30.399 0.038 . . . . . A 19 HIS CB . 19282 1 225 . 1 1 19 19 HIS CE1 C 13 138.439 0.012 . . . . . A 19 HIS CE1 . 19282 1 226 . 1 1 19 19 HIS N N 15 122.393 0.058 . . . . . A 19 HIS N . 19282 1 227 . 1 1 20 20 VAL H H 1 7.880 0.001 . . . . . A 20 VAL H . 19282 1 228 . 1 1 20 20 VAL HA H 1 4.191 0.006 . . . . . A 20 VAL HA . 19282 1 229 . 1 1 20 20 VAL HB H 1 1.700 0.002 . . . . . A 20 VAL HB . 19282 1 230 . 1 1 20 20 VAL HG11 H 1 0.772 0.004 . . . . . A 20 VAL HG11 . 19282 1 231 . 1 1 20 20 VAL HG12 H 1 0.772 0.004 . . . . . A 20 VAL HG12 . 19282 1 232 . 1 1 20 20 VAL HG13 H 1 0.772 0.004 . . . . . A 20 VAL HG13 . 19282 1 233 . 1 1 20 20 VAL HG21 H 1 0.598 0.003 . . . . . A 20 VAL HG21 . 19282 1 234 . 1 1 20 20 VAL HG22 H 1 0.598 0.003 . . . . . A 20 VAL HG22 . 19282 1 235 . 1 1 20 20 VAL HG23 H 1 0.598 0.003 . . . . . A 20 VAL HG23 . 19282 1 236 . 1 1 20 20 VAL C C 13 174.971 0.001 . . . . . A 20 VAL C . 19282 1 237 . 1 1 20 20 VAL CA C 13 61.049 0.039 . . . . . A 20 VAL CA . 19282 1 238 . 1 1 20 20 VAL CB C 13 32.109 0.045 . . . . . A 20 VAL CB . 19282 1 239 . 1 1 20 20 VAL CG1 C 13 22.183 0.022 . . . . . A 20 VAL CG1 . 19282 1 240 . 1 1 20 20 VAL CG2 C 13 20.101 0.053 . . . . . A 20 VAL CG2 . 19282 1 241 . 1 1 20 20 VAL N N 15 128.351 0.044 . . . . . A 20 VAL N . 19282 1 242 . 1 1 21 21 SER H H 1 8.802 0.003 . . . . . A 21 SER H . 19282 1 243 . 1 1 21 21 SER HA H 1 3.904 0.004 . . . . . A 21 SER HA . 19282 1 244 . 1 1 21 21 SER HB2 H 1 3.086 0.003 . . . . . A 21 SER HB2 . 19282 1 245 . 1 1 21 21 SER HB3 H 1 2.303 0.004 . . . . . A 21 SER HB3 . 19282 1 246 . 1 1 21 21 SER C C 13 173.842 0.009 . . . . . A 21 SER C . 19282 1 247 . 1 1 21 21 SER CA C 13 59.417 0.050 . . . . . A 21 SER CA . 19282 1 248 . 1 1 21 21 SER CB C 13 62.993 0.029 . . . . . A 21 SER CB . 19282 1 249 . 1 1 21 21 SER N N 15 123.985 0.051 . . . . . A 21 SER N . 19282 1 250 . 1 1 22 22 GLN H H 1 8.866 0.003 . . . . . A 22 GLN H . 19282 1 251 . 1 1 22 22 GLN HA H 1 4.273 0.004 . . . . . A 22 GLN HA . 19282 1 252 . 1 1 22 22 GLN HB2 H 1 2.263 0.003 . . . . . A 22 GLN HB2 . 19282 1 253 . 1 1 22 22 GLN HB3 H 1 1.874 0.003 . . . . . A 22 GLN HB3 . 19282 1 254 . 1 1 22 22 GLN HG2 H 1 2.413 0.005 . . . . . A 22 GLN HG2 . 19282 1 255 . 1 1 22 22 GLN HG3 H 1 2.357 0.003 . . . . . A 22 GLN HG3 . 19282 1 256 . 1 1 22 22 GLN HE21 H 1 7.455 0.002 . . . . . A 22 GLN HE21 . 19282 1 257 . 1 1 22 22 GLN HE22 H 1 6.863 0.001 . . . . . A 22 GLN HE22 . 19282 1 258 . 1 1 22 22 GLN C C 13 175.650 0.001 . . . . . A 22 GLN C . 19282 1 259 . 1 1 22 22 GLN CA C 13 55.726 0.045 . . . . . A 22 GLN CA . 19282 1 260 . 1 1 22 22 GLN CB C 13 30.042 0.103 . . . . . A 22 GLN CB . 19282 1 261 . 1 1 22 22 GLN CG C 13 34.180 0.045 . . . . . A 22 GLN CG . 19282 1 262 . 1 1 22 22 GLN N N 15 118.390 0.051 . . . . . A 22 GLN N . 19282 1 263 . 1 1 22 22 GLN NE2 N 15 112.503 0.111 . . . . . A 22 GLN NE2 . 19282 1 264 . 1 1 23 23 VAL H H 1 6.897 0.002 . . . . . A 23 VAL H . 19282 1 265 . 1 1 23 23 VAL HA H 1 4.314 0.006 . . . . . A 23 VAL HA . 19282 1 266 . 1 1 23 23 VAL HB H 1 2.203 0.003 . . . . . A 23 VAL HB . 19282 1 267 . 1 1 23 23 VAL HG11 H 1 1.002 0.006 . . . . . A 23 VAL HG11 . 19282 1 268 . 1 1 23 23 VAL HG12 H 1 1.002 0.006 . . . . . A 23 VAL HG12 . 19282 1 269 . 1 1 23 23 VAL HG13 H 1 1.002 0.006 . . . . . A 23 VAL HG13 . 19282 1 270 . 1 1 23 23 VAL HG21 H 1 0.940 0.002 . . . . . A 23 VAL HG21 . 19282 1 271 . 1 1 23 23 VAL HG22 H 1 0.940 0.002 . . . . . A 23 VAL HG22 . 19282 1 272 . 1 1 23 23 VAL HG23 H 1 0.940 0.002 . . . . . A 23 VAL HG23 . 19282 1 273 . 1 1 23 23 VAL C C 13 172.691 0.003 . . . . . A 23 VAL C . 19282 1 274 . 1 1 23 23 VAL CA C 13 59.786 0.037 . . . . . A 23 VAL CA . 19282 1 275 . 1 1 23 23 VAL CB C 13 34.368 0.041 . . . . . A 23 VAL CB . 19282 1 276 . 1 1 23 23 VAL CG1 C 13 21.611 0.076 . . . . . A 23 VAL CG1 . 19282 1 277 . 1 1 23 23 VAL CG2 C 13 19.350 0.039 . . . . . A 23 VAL CG2 . 19282 1 278 . 1 1 23 23 VAL N N 15 113.258 0.037 . . . . . A 23 VAL N . 19282 1 279 . 1 1 24 24 SER H H 1 8.125 0.002 . . . . . A 24 SER H . 19282 1 280 . 1 1 24 24 SER HA H 1 4.894 0.005 . . . . . A 24 SER HA . 19282 1 281 . 1 1 24 24 SER HB2 H 1 3.443 0.003 . . . . . A 24 SER HB2 . 19282 1 282 . 1 1 24 24 SER HB3 H 1 3.308 0.002 . . . . . A 24 SER HB3 . 19282 1 283 . 1 1 24 24 SER C C 13 173.846 0.004 . . . . . A 24 SER C . 19282 1 284 . 1 1 24 24 SER CA C 13 56.040 0.094 . . . . . A 24 SER CA . 19282 1 285 . 1 1 24 24 SER CB C 13 65.361 0.040 . . . . . A 24 SER CB . 19282 1 286 . 1 1 24 24 SER N N 15 115.205 0.028 . . . . . A 24 SER N . 19282 1 287 . 1 1 25 25 ASN H H 1 9.854 0.003 . . . . . A 25 ASN H . 19282 1 288 . 1 1 25 25 ASN HA H 1 5.088 0.003 . . . . . A 25 ASN HA . 19282 1 289 . 1 1 25 25 ASN HB2 H 1 3.220 0.006 . . . . . A 25 ASN HB2 . 19282 1 290 . 1 1 25 25 ASN HB3 H 1 3.084 0.004 . . . . . A 25 ASN HB3 . 19282 1 291 . 1 1 25 25 ASN HD21 H 1 8.053 0.002 . . . . . A 25 ASN HD21 . 19282 1 292 . 1 1 25 25 ASN HD22 H 1 7.279 0.002 . . . . . A 25 ASN HD22 . 19282 1 293 . 1 1 25 25 ASN C C 13 175.285 0.001 . . . . . A 25 ASN C . 19282 1 294 . 1 1 25 25 ASN CA C 13 53.030 0.040 . . . . . A 25 ASN CA . 19282 1 295 . 1 1 25 25 ASN CB C 13 41.535 0.052 . . . . . A 25 ASN CB . 19282 1 296 . 1 1 25 25 ASN N N 15 122.669 0.044 . . . . . A 25 ASN N . 19282 1 297 . 1 1 25 25 ASN ND2 N 15 113.984 0.045 . . . . . A 25 ASN ND2 . 19282 1 298 . 1 1 26 26 THR H H 1 9.718 0.003 . . . . . A 26 THR H . 19282 1 299 . 1 1 26 26 THR HA H 1 5.520 0.002 . . . . . A 26 THR HA . 19282 1 300 . 1 1 26 26 THR HB H 1 5.119 0.003 . . . . . A 26 THR HB . 19282 1 301 . 1 1 26 26 THR HG21 H 1 1.533 0.001 . . . . . A 26 THR HG21 . 19282 1 302 . 1 1 26 26 THR HG22 H 1 1.533 0.001 . . . . . A 26 THR HG22 . 19282 1 303 . 1 1 26 26 THR HG23 H 1 1.533 0.001 . . . . . A 26 THR HG23 . 19282 1 304 . 1 1 26 26 THR C C 13 174.350 0.002 . . . . . A 26 THR C . 19282 1 305 . 1 1 26 26 THR CA C 13 61.930 0.036 . . . . . A 26 THR CA . 19282 1 306 . 1 1 26 26 THR CB C 13 70.719 0.104 . . . . . A 26 THR CB . 19282 1 307 . 1 1 26 26 THR CG2 C 13 22.491 0.026 . . . . . A 26 THR CG2 . 19282 1 308 . 1 1 26 26 THR N N 15 113.569 0.032 . . . . . A 26 THR N . 19282 1 309 . 1 1 27 27 TRP H H 1 7.836 0.003 . . . . . A 27 TRP H . 19282 1 310 . 1 1 27 27 TRP HA H 1 2.617 0.004 . . . . . A 27 TRP HA . 19282 1 311 . 1 1 27 27 TRP HB2 H 1 2.871 0.006 . . . . . A 27 TRP HB2 . 19282 1 312 . 1 1 27 27 TRP HB3 H 1 1.292 0.004 . . . . . A 27 TRP HB3 . 19282 1 313 . 1 1 27 27 TRP HD1 H 1 7.038 0.004 . . . . . A 27 TRP HD1 . 19282 1 314 . 1 1 27 27 TRP HE1 H 1 10.523 0.011 . . . . . A 27 TRP HE1 . 19282 1 315 . 1 1 27 27 TRP HE3 H 1 7.047 0.000 . . . . . A 27 TRP HE3 . 19282 1 316 . 1 1 27 27 TRP HZ2 H 1 7.046 0.004 . . . . . A 27 TRP HZ2 . 19282 1 317 . 1 1 27 27 TRP HZ3 H 1 7.091 0.008 . . . . . A 27 TRP HZ3 . 19282 1 318 . 1 1 27 27 TRP HH2 H 1 7.042 0.006 . . . . . A 27 TRP HH2 . 19282 1 319 . 1 1 27 27 TRP C C 13 177.624 0.000 . . . . . A 27 TRP C . 19282 1 320 . 1 1 27 27 TRP CA C 13 62.651 0.040 . . . . . A 27 TRP CA . 19282 1 321 . 1 1 27 27 TRP CB C 13 30.428 0.058 . . . . . A 27 TRP CB . 19282 1 322 . 1 1 27 27 TRP CD1 C 13 126.781 0.087 . . . . . A 27 TRP CD1 . 19282 1 323 . 1 1 27 27 TRP CE3 C 13 120.327 0.002 . . . . . A 27 TRP CE3 . 19282 1 324 . 1 1 27 27 TRP CZ2 C 13 112.901 0.039 . . . . . A 27 TRP CZ2 . 19282 1 325 . 1 1 27 27 TRP CZ3 C 13 120.277 0.170 . . . . . A 27 TRP CZ3 . 19282 1 326 . 1 1 27 27 TRP CH2 C 13 122.060 0.053 . . . . . A 27 TRP CH2 . 19282 1 327 . 1 1 27 27 TRP N N 15 121.857 0.103 . . . . . A 27 TRP N . 19282 1 328 . 1 1 27 27 TRP NE1 N 15 127.250 0.026 . . . . . A 27 TRP NE1 . 19282 1 329 . 1 1 28 28 GLU H H 1 8.827 0.002 . . . . . A 28 GLU H . 19282 1 330 . 1 1 28 28 GLU HA H 1 3.708 0.005 . . . . . A 28 GLU HA . 19282 1 331 . 1 1 28 28 GLU HB2 H 1 2.095 0.003 . . . . . A 28 GLU HB2 . 19282 1 332 . 1 1 28 28 GLU HB3 H 1 2.035 0.004 . . . . . A 28 GLU HB3 . 19282 1 333 . 1 1 28 28 GLU HG2 H 1 2.493 0.004 . . . . . A 28 GLU HG2 . 19282 1 334 . 1 1 28 28 GLU HG3 H 1 2.450 0.005 . . . . . A 28 GLU HG3 . 19282 1 335 . 1 1 28 28 GLU C C 13 178.928 0.001 . . . . . A 28 GLU C . 19282 1 336 . 1 1 28 28 GLU CA C 13 59.589 0.048 . . . . . A 28 GLU CA . 19282 1 337 . 1 1 28 28 GLU CB C 13 29.480 0.094 . . . . . A 28 GLU CB . 19282 1 338 . 1 1 28 28 GLU CG C 13 37.250 0.009 . . . . . A 28 GLU CG . 19282 1 339 . 1 1 28 28 GLU N N 15 114.949 0.027 . . . . . A 28 GLU N . 19282 1 340 . 1 1 29 29 GLU H H 1 7.259 0.002 . . . . . A 29 GLU H . 19282 1 341 . 1 1 29 29 GLU HA H 1 3.926 0.002 . . . . . A 29 GLU HA . 19282 1 342 . 1 1 29 29 GLU HB2 H 1 1.829 0.006 . . . . . A 29 GLU HB2 . 19282 1 343 . 1 1 29 29 GLU HB3 H 1 1.829 0.006 . . . . . A 29 GLU HB3 . 19282 1 344 . 1 1 29 29 GLU HG2 H 1 2.321 0.003 . . . . . A 29 GLU HG2 . 19282 1 345 . 1 1 29 29 GLU HG3 H 1 2.113 0.003 . . . . . A 29 GLU HG3 . 19282 1 346 . 1 1 29 29 GLU C C 13 179.587 0.004 . . . . . A 29 GLU C . 19282 1 347 . 1 1 29 29 GLU CA C 13 58.569 0.049 . . . . . A 29 GLU CA . 19282 1 348 . 1 1 29 29 GLU CB C 13 28.133 0.127 . . . . . A 29 GLU CB . 19282 1 349 . 1 1 29 29 GLU CG C 13 36.478 0.026 . . . . . A 29 GLU CG . 19282 1 350 . 1 1 29 29 GLU N N 15 118.462 0.034 . . . . . A 29 GLU N . 19282 1 351 . 1 1 30 30 GLY H H 1 7.871 0.002 . . . . . A 30 GLY H . 19282 1 352 . 1 1 30 30 GLY HA2 H 1 2.041 0.004 . . . . . A 30 GLY HA2 . 19282 1 353 . 1 1 30 30 GLY HA3 H 1 1.288 0.009 . . . . . A 30 GLY HA3 . 19282 1 354 . 1 1 30 30 GLY C C 13 173.516 0.001 . . . . . A 30 GLY C . 19282 1 355 . 1 1 30 30 GLY CA C 13 45.742 0.047 . . . . . A 30 GLY CA . 19282 1 356 . 1 1 30 30 GLY N N 15 112.186 0.051 . . . . . A 30 GLY N . 19282 1 357 . 1 1 31 31 LEU H H 1 7.610 0.003 . . . . . A 31 LEU H . 19282 1 358 . 1 1 31 31 LEU HA H 1 3.345 0.005 . . . . . A 31 LEU HA . 19282 1 359 . 1 1 31 31 LEU HB2 H 1 1.726 0.004 . . . . . A 31 LEU HB2 . 19282 1 360 . 1 1 31 31 LEU HB3 H 1 0.552 0.004 . . . . . A 31 LEU HB3 . 19282 1 361 . 1 1 31 31 LEU HG H 1 1.387 0.004 . . . . . A 31 LEU HG . 19282 1 362 . 1 1 31 31 LEU HD11 H 1 0.812 0.003 . . . . . A 31 LEU HD11 . 19282 1 363 . 1 1 31 31 LEU HD12 H 1 0.812 0.003 . . . . . A 31 LEU HD12 . 19282 1 364 . 1 1 31 31 LEU HD13 H 1 0.812 0.003 . . . . . A 31 LEU HD13 . 19282 1 365 . 1 1 31 31 LEU HD21 H 1 0.737 0.005 . . . . . A 31 LEU HD21 . 19282 1 366 . 1 1 31 31 LEU HD22 H 1 0.737 0.005 . . . . . A 31 LEU HD22 . 19282 1 367 . 1 1 31 31 LEU HD23 H 1 0.737 0.005 . . . . . A 31 LEU HD23 . 19282 1 368 . 1 1 31 31 LEU C C 13 179.828 0.004 . . . . . A 31 LEU C . 19282 1 369 . 1 1 31 31 LEU CA C 13 58.955 0.037 . . . . . A 31 LEU CA . 19282 1 370 . 1 1 31 31 LEU CB C 13 41.475 0.038 . . . . . A 31 LEU CB . 19282 1 371 . 1 1 31 31 LEU CG C 13 26.609 0.081 . . . . . A 31 LEU CG . 19282 1 372 . 1 1 31 31 LEU CD1 C 13 25.639 0.012 . . . . . A 31 LEU CD1 . 19282 1 373 . 1 1 31 31 LEU CD2 C 13 25.332 0.059 . . . . . A 31 LEU CD2 . 19282 1 374 . 1 1 31 31 LEU N N 15 122.216 0.019 . . . . . A 31 LEU N . 19282 1 375 . 1 1 32 32 VAL H H 1 7.571 0.003 . . . . . A 32 VAL H . 19282 1 376 . 1 1 32 32 VAL HA H 1 3.651 0.004 . . . . . A 32 VAL HA . 19282 1 377 . 1 1 32 32 VAL HB H 1 2.024 0.002 . . . . . A 32 VAL HB . 19282 1 378 . 1 1 32 32 VAL HG11 H 1 1.033 0.004 . . . . . A 32 VAL HG11 . 19282 1 379 . 1 1 32 32 VAL HG12 H 1 1.033 0.004 . . . . . A 32 VAL HG12 . 19282 1 380 . 1 1 32 32 VAL HG13 H 1 1.033 0.004 . . . . . A 32 VAL HG13 . 19282 1 381 . 1 1 32 32 VAL HG21 H 1 0.974 0.002 . . . . . A 32 VAL HG21 . 19282 1 382 . 1 1 32 32 VAL HG22 H 1 0.974 0.002 . . . . . A 32 VAL HG22 . 19282 1 383 . 1 1 32 32 VAL HG23 H 1 0.974 0.002 . . . . . A 32 VAL HG23 . 19282 1 384 . 1 1 32 32 VAL C C 13 179.041 0.001 . . . . . A 32 VAL C . 19282 1 385 . 1 1 32 32 VAL CA C 13 65.867 0.039 . . . . . A 32 VAL CA . 19282 1 386 . 1 1 32 32 VAL CB C 13 31.976 0.039 . . . . . A 32 VAL CB . 19282 1 387 . 1 1 32 32 VAL CG1 C 13 22.585 0.046 . . . . . A 32 VAL CG1 . 19282 1 388 . 1 1 32 32 VAL CG2 C 13 21.298 0.037 . . . . . A 32 VAL CG2 . 19282 1 389 . 1 1 32 32 VAL N N 15 118.301 0.037 . . . . . A 32 VAL N . 19282 1 390 . 1 1 33 33 ASP H H 1 7.924 0.001 . . . . . A 33 ASP H . 19282 1 391 . 1 1 33 33 ASP HA H 1 4.377 0.004 . . . . . A 33 ASP HA . 19282 1 392 . 1 1 33 33 ASP HB2 H 1 2.865 0.004 . . . . . A 33 ASP HB2 . 19282 1 393 . 1 1 33 33 ASP HB3 H 1 2.664 0.003 . . . . . A 33 ASP HB3 . 19282 1 394 . 1 1 33 33 ASP C C 13 179.766 0.001 . . . . . A 33 ASP C . 19282 1 395 . 1 1 33 33 ASP CA C 13 58.137 0.043 . . . . . A 33 ASP CA . 19282 1 396 . 1 1 33 33 ASP CB C 13 43.435 0.041 . . . . . A 33 ASP CB . 19282 1 397 . 1 1 33 33 ASP N N 15 123.085 0.054 . . . . . A 33 ASP N . 19282 1 398 . 1 1 34 34 CYS H H 1 8.486 0.002 . . . . . A 34 CYS H . 19282 1 399 . 1 1 34 34 CYS HA H 1 4.504 0.003 . . . . . A 34 CYS HA . 19282 1 400 . 1 1 34 34 CYS HB2 H 1 2.742 0.002 . . . . . A 34 CYS HB2 . 19282 1 401 . 1 1 34 34 CYS HB3 H 1 2.595 0.003 . . . . . A 34 CYS HB3 . 19282 1 402 . 1 1 34 34 CYS C C 13 177.697 0.002 . . . . . A 34 CYS C . 19282 1 403 . 1 1 34 34 CYS CA C 13 56.070 0.045 . . . . . A 34 CYS CA . 19282 1 404 . 1 1 34 34 CYS CB C 13 34.421 0.026 . . . . . A 34 CYS CB . 19282 1 405 . 1 1 34 34 CYS N N 15 115.181 0.034 . . . . . A 34 CYS N . 19282 1 406 . 1 1 35 35 ASP H H 1 8.458 0.002 . . . . . A 35 ASP H . 19282 1 407 . 1 1 35 35 ASP HA H 1 4.754 0.002 . . . . . A 35 ASP HA . 19282 1 408 . 1 1 35 35 ASP HB2 H 1 2.814 0.004 . . . . . A 35 ASP HB2 . 19282 1 409 . 1 1 35 35 ASP HB3 H 1 2.772 0.002 . . . . . A 35 ASP HB3 . 19282 1 410 . 1 1 35 35 ASP C C 13 180.457 0.004 . . . . . A 35 ASP C . 19282 1 411 . 1 1 35 35 ASP CA C 13 58.270 0.023 . . . . . A 35 ASP CA . 19282 1 412 . 1 1 35 35 ASP CB C 13 42.143 0.036 . . . . . A 35 ASP CB . 19282 1 413 . 1 1 35 35 ASP N N 15 123.300 0.043 . . . . . A 35 ASP N . 19282 1 414 . 1 1 36 36 GLY H H 1 8.281 0.003 . . . . . A 36 GLY H . 19282 1 415 . 1 1 36 36 GLY HA2 H 1 4.152 0.011 . . . . . A 36 GLY HA2 . 19282 1 416 . 1 1 36 36 GLY HA3 H 1 4.098 0.005 . . . . . A 36 GLY HA3 . 19282 1 417 . 1 1 36 36 GLY C C 13 175.345 0.000 . . . . . A 36 GLY C . 19282 1 418 . 1 1 36 36 GLY CA C 13 46.876 0.018 . . . . . A 36 GLY CA . 19282 1 419 . 1 1 36 36 GLY N N 15 107.140 0.038 . . . . . A 36 GLY N . 19282 1 420 . 1 1 37 37 LYS H H 1 7.587 0.003 . . . . . A 37 LYS H . 19282 1 421 . 1 1 37 37 LYS HA H 1 4.546 0.006 . . . . . A 37 LYS HA . 19282 1 422 . 1 1 37 37 LYS HB2 H 1 2.372 0.005 . . . . . A 37 LYS HB2 . 19282 1 423 . 1 1 37 37 LYS HB3 H 1 2.014 0.004 . . . . . A 37 LYS HB3 . 19282 1 424 . 1 1 37 37 LYS HG2 H 1 1.759 0.006 . . . . . A 37 LYS HG2 . 19282 1 425 . 1 1 37 37 LYS HG3 H 1 1.592 0.005 . . . . . A 37 LYS HG3 . 19282 1 426 . 1 1 37 37 LYS HD2 H 1 1.692 0.007 . . . . . A 37 LYS HD2 . 19282 1 427 . 1 1 37 37 LYS HD3 H 1 1.477 0.006 . . . . . A 37 LYS HD3 . 19282 1 428 . 1 1 37 37 LYS HE2 H 1 2.821 0.003 . . . . . A 37 LYS HE2 . 19282 1 429 . 1 1 37 37 LYS HE3 H 1 2.821 0.003 . . . . . A 37 LYS HE3 . 19282 1 430 . 1 1 37 37 LYS C C 13 176.415 0.002 . . . . . A 37 LYS C . 19282 1 431 . 1 1 37 37 LYS CA C 13 55.830 0.036 . . . . . A 37 LYS CA . 19282 1 432 . 1 1 37 37 LYS CB C 13 33.754 0.071 . . . . . A 37 LYS CB . 19282 1 433 . 1 1 37 37 LYS CG C 13 25.664 0.054 . . . . . A 37 LYS CG . 19282 1 434 . 1 1 37 37 LYS CD C 13 29.746 0.087 . . . . . A 37 LYS CD . 19282 1 435 . 1 1 37 37 LYS CE C 13 42.308 0.075 . . . . . A 37 LYS CE . 19282 1 436 . 1 1 37 37 LYS N N 15 119.450 0.050 . . . . . A 37 LYS N . 19282 1 437 . 1 1 38 38 GLY H H 1 8.205 0.003 . . . . . A 38 GLY H . 19282 1 438 . 1 1 38 38 GLY HA2 H 1 4.041 0.005 . . . . . A 38 GLY HA2 . 19282 1 439 . 1 1 38 38 GLY HA3 H 1 3.924 0.006 . . . . . A 38 GLY HA3 . 19282 1 440 . 1 1 38 38 GLY C C 13 174.144 0.004 . . . . . A 38 GLY C . 19282 1 441 . 1 1 38 38 GLY CA C 13 46.791 0.018 . . . . . A 38 GLY CA . 19282 1 442 . 1 1 38 38 GLY N N 15 109.781 0.032 . . . . . A 38 GLY N . 19282 1 443 . 1 1 39 39 ALA H H 1 8.107 0.003 . . . . . A 39 ALA H . 19282 1 444 . 1 1 39 39 ALA HA H 1 5.116 0.004 . . . . . A 39 ALA HA . 19282 1 445 . 1 1 39 39 ALA HB1 H 1 1.664 0.003 . . . . . A 39 ALA HB1 . 19282 1 446 . 1 1 39 39 ALA HB2 H 1 1.664 0.003 . . . . . A 39 ALA HB2 . 19282 1 447 . 1 1 39 39 ALA HB3 H 1 1.664 0.003 . . . . . A 39 ALA HB3 . 19282 1 448 . 1 1 39 39 ALA C C 13 174.817 0.003 . . . . . A 39 ALA C . 19282 1 449 . 1 1 39 39 ALA CA C 13 50.174 0.075 . . . . . A 39 ALA CA . 19282 1 450 . 1 1 39 39 ALA CB C 13 24.153 0.071 . . . . . A 39 ALA CB . 19282 1 451 . 1 1 39 39 ALA N N 15 123.317 0.024 . . . . . A 39 ALA N . 19282 1 452 . 1 1 40 40 THR H H 1 8.566 0.003 . . . . . A 40 THR H . 19282 1 453 . 1 1 40 40 THR HA H 1 5.080 0.004 . . . . . A 40 THR HA . 19282 1 454 . 1 1 40 40 THR HB H 1 4.344 0.003 . . . . . A 40 THR HB . 19282 1 455 . 1 1 40 40 THR HG21 H 1 1.295 0.004 . . . . . A 40 THR HG21 . 19282 1 456 . 1 1 40 40 THR HG22 H 1 1.295 0.004 . . . . . A 40 THR HG22 . 19282 1 457 . 1 1 40 40 THR HG23 H 1 1.295 0.004 . . . . . A 40 THR HG23 . 19282 1 458 . 1 1 40 40 THR C C 13 175.723 0.000 . . . . . A 40 THR C . 19282 1 459 . 1 1 40 40 THR CA C 13 60.173 0.088 . . . . . A 40 THR CA . 19282 1 460 . 1 1 40 40 THR CB C 13 72.452 0.035 . . . . . A 40 THR CB . 19282 1 461 . 1 1 40 40 THR CG2 C 13 19.570 0.048 . . . . . A 40 THR CG2 . 19282 1 462 . 1 1 40 40 THR N N 15 108.747 0.035 . . . . . A 40 THR N . 19282 1 463 . 1 1 41 41 LEU H H 1 7.791 0.003 . . . . . A 41 LEU H . 19282 1 464 . 1 1 41 41 LEU HA H 1 5.054 0.005 . . . . . A 41 LEU HA . 19282 1 465 . 1 1 41 41 LEU HB2 H 1 1.568 0.002 . . . . . A 41 LEU HB2 . 19282 1 466 . 1 1 41 41 LEU HB3 H 1 1.338 0.003 . . . . . A 41 LEU HB3 . 19282 1 467 . 1 1 41 41 LEU HG H 1 1.182 0.002 . . . . . A 41 LEU HG . 19282 1 468 . 1 1 41 41 LEU HD11 H 1 0.720 0.003 . . . . . A 41 LEU HD11 . 19282 1 469 . 1 1 41 41 LEU HD12 H 1 0.720 0.003 . . . . . A 41 LEU HD12 . 19282 1 470 . 1 1 41 41 LEU HD13 H 1 0.720 0.003 . . . . . A 41 LEU HD13 . 19282 1 471 . 1 1 41 41 LEU HD21 H 1 -0.053 0.006 . . . . . A 41 LEU HD21 . 19282 1 472 . 1 1 41 41 LEU HD22 H 1 -0.053 0.006 . . . . . A 41 LEU HD22 . 19282 1 473 . 1 1 41 41 LEU HD23 H 1 -0.053 0.006 . . . . . A 41 LEU HD23 . 19282 1 474 . 1 1 41 41 LEU C C 13 177.800 0.003 . . . . . A 41 LEU C . 19282 1 475 . 1 1 41 41 LEU CA C 13 56.676 0.041 . . . . . A 41 LEU CA . 19282 1 476 . 1 1 41 41 LEU CB C 13 44.624 0.095 . . . . . A 41 LEU CB . 19282 1 477 . 1 1 41 41 LEU CG C 13 27.899 0.064 . . . . . A 41 LEU CG . 19282 1 478 . 1 1 41 41 LEU CD1 C 13 24.451 0.069 . . . . . A 41 LEU CD1 . 19282 1 479 . 1 1 41 41 LEU CD2 C 13 25.686 0.053 . . . . . A 41 LEU CD2 . 19282 1 480 . 1 1 41 41 LEU N N 15 123.750 0.040 . . . . . A 41 LEU N . 19282 1 481 . 1 1 42 42 MET H H 1 7.983 0.003 . . . . . A 42 MET H . 19282 1 482 . 1 1 42 42 MET HA H 1 4.098 0.004 . . . . . A 42 MET HA . 19282 1 483 . 1 1 42 42 MET HB2 H 1 2.081 0.005 . . . . . A 42 MET HB2 . 19282 1 484 . 1 1 42 42 MET HB3 H 1 1.998 0.005 . . . . . A 42 MET HB3 . 19282 1 485 . 1 1 42 42 MET HG2 H 1 2.647 0.005 . . . . . A 42 MET HG2 . 19282 1 486 . 1 1 42 42 MET HG3 H 1 2.480 0.004 . . . . . A 42 MET HG3 . 19282 1 487 . 1 1 42 42 MET HE1 H 1 1.816 0.006 . . . . . A 42 MET HE1 . 19282 1 488 . 1 1 42 42 MET HE2 H 1 1.816 0.006 . . . . . A 42 MET HE2 . 19282 1 489 . 1 1 42 42 MET HE3 H 1 1.816 0.006 . . . . . A 42 MET HE3 . 19282 1 490 . 1 1 42 42 MET C C 13 174.097 0.001 . . . . . A 42 MET C . 19282 1 491 . 1 1 42 42 MET CA C 13 57.887 0.072 . . . . . A 42 MET CA . 19282 1 492 . 1 1 42 42 MET CB C 13 34.299 0.055 . . . . . A 42 MET CB . 19282 1 493 . 1 1 42 42 MET CG C 13 32.346 0.087 . . . . . A 42 MET CG . 19282 1 494 . 1 1 42 42 MET CE C 13 19.358 0.003 . . . . . A 42 MET CE . 19282 1 495 . 1 1 42 42 MET N N 15 116.452 0.080 . . . . . A 42 MET N . 19282 1 496 . 1 1 43 43 LEU H H 1 8.078 0.002 . . . . . A 43 LEU H . 19282 1 497 . 1 1 43 43 LEU HA H 1 4.517 0.006 . . . . . A 43 LEU HA . 19282 1 498 . 1 1 43 43 LEU HB2 H 1 1.555 0.002 . . . . . A 43 LEU HB2 . 19282 1 499 . 1 1 43 43 LEU HB3 H 1 0.897 0.006 . . . . . A 43 LEU HB3 . 19282 1 500 . 1 1 43 43 LEU HG H 1 1.771 0.006 . . . . . A 43 LEU HG . 19282 1 501 . 1 1 43 43 LEU HD11 H 1 0.957 0.004 . . . . . A 43 LEU HD11 . 19282 1 502 . 1 1 43 43 LEU HD12 H 1 0.957 0.004 . . . . . A 43 LEU HD12 . 19282 1 503 . 1 1 43 43 LEU HD13 H 1 0.957 0.004 . . . . . A 43 LEU HD13 . 19282 1 504 . 1 1 43 43 LEU HD21 H 1 0.900 0.003 . . . . . A 43 LEU HD21 . 19282 1 505 . 1 1 43 43 LEU HD22 H 1 0.900 0.003 . . . . . A 43 LEU HD22 . 19282 1 506 . 1 1 43 43 LEU HD23 H 1 0.900 0.003 . . . . . A 43 LEU HD23 . 19282 1 507 . 1 1 43 43 LEU C C 13 174.928 0.000 . . . . . A 43 LEU C . 19282 1 508 . 1 1 43 43 LEU CA C 13 53.533 0.056 . . . . . A 43 LEU CA . 19282 1 509 . 1 1 43 43 LEU CB C 13 42.828 0.055 . . . . . A 43 LEU CB . 19282 1 510 . 1 1 43 43 LEU CG C 13 27.259 0.039 . . . . . A 43 LEU CG . 19282 1 511 . 1 1 43 43 LEU CD1 C 13 25.869 0.049 . . . . . A 43 LEU CD1 . 19282 1 512 . 1 1 43 43 LEU CD2 C 13 25.869 0.049 . . . . . A 43 LEU CD2 . 19282 1 513 . 1 1 43 43 LEU N N 15 128.106 0.050 . . . . . A 43 LEU N . 19282 1 514 . 1 1 44 44 ILE H H 1 5.273 0.004 . . . . . A 44 ILE H . 19282 1 515 . 1 1 44 44 ILE HA H 1 4.202 0.003 . . . . . A 44 ILE HA . 19282 1 516 . 1 1 44 44 ILE HB H 1 1.906 0.003 . . . . . A 44 ILE HB . 19282 1 517 . 1 1 44 44 ILE HG12 H 1 1.735 0.004 . . . . . A 44 ILE HG12 . 19282 1 518 . 1 1 44 44 ILE HG13 H 1 0.980 0.004 . . . . . A 44 ILE HG13 . 19282 1 519 . 1 1 44 44 ILE HG21 H 1 0.882 0.002 . . . . . A 44 ILE HG21 . 19282 1 520 . 1 1 44 44 ILE HG22 H 1 0.882 0.002 . . . . . A 44 ILE HG22 . 19282 1 521 . 1 1 44 44 ILE HG23 H 1 0.882 0.002 . . . . . A 44 ILE HG23 . 19282 1 522 . 1 1 44 44 ILE HD11 H 1 1.006 0.003 . . . . . A 44 ILE HD11 . 19282 1 523 . 1 1 44 44 ILE HD12 H 1 1.006 0.003 . . . . . A 44 ILE HD12 . 19282 1 524 . 1 1 44 44 ILE HD13 H 1 1.006 0.003 . . . . . A 44 ILE HD13 . 19282 1 525 . 1 1 44 44 ILE C C 13 175.736 0.001 . . . . . A 44 ILE C . 19282 1 526 . 1 1 44 44 ILE CA C 13 61.051 0.027 . . . . . A 44 ILE CA . 19282 1 527 . 1 1 44 44 ILE CB C 13 38.168 0.056 . . . . . A 44 ILE CB . 19282 1 528 . 1 1 44 44 ILE CG1 C 13 28.040 0.036 . . . . . A 44 ILE CG1 . 19282 1 529 . 1 1 44 44 ILE CG2 C 13 18.786 0.020 . . . . . A 44 ILE CG2 . 19282 1 530 . 1 1 44 44 ILE CD1 C 13 14.691 0.055 . . . . . A 44 ILE CD1 . 19282 1 531 . 1 1 44 44 ILE N N 15 118.686 0.099 . . . . . A 44 ILE N . 19282 1 532 . 1 1 45 45 GLN H H 1 9.722 0.004 . . . . . A 45 GLN H . 19282 1 533 . 1 1 45 45 GLN HA H 1 4.179 0.004 . . . . . A 45 GLN HA . 19282 1 534 . 1 1 45 45 GLN HB2 H 1 2.062 0.004 . . . . . A 45 GLN HB2 . 19282 1 535 . 1 1 45 45 GLN HB3 H 1 1.975 0.004 . . . . . A 45 GLN HB3 . 19282 1 536 . 1 1 45 45 GLN HG2 H 1 2.261 0.005 . . . . . A 45 GLN HG2 . 19282 1 537 . 1 1 45 45 GLN HG3 H 1 2.216 0.003 . . . . . A 45 GLN HG3 . 19282 1 538 . 1 1 45 45 GLN HE21 H 1 7.646 0.005 . . . . . A 45 GLN HE21 . 19282 1 539 . 1 1 45 45 GLN HE22 H 1 6.953 0.001 . . . . . A 45 GLN HE22 . 19282 1 540 . 1 1 45 45 GLN C C 13 175.402 0.001 . . . . . A 45 GLN C . 19282 1 541 . 1 1 45 45 GLN CA C 13 57.103 0.036 . . . . . A 45 GLN CA . 19282 1 542 . 1 1 45 45 GLN CB C 13 30.833 0.096 . . . . . A 45 GLN CB . 19282 1 543 . 1 1 45 45 GLN CG C 13 34.344 0.051 . . . . . A 45 GLN CG . 19282 1 544 . 1 1 45 45 GLN N N 15 127.754 0.062 . . . . . A 45 GLN N . 19282 1 545 . 1 1 45 45 GLN NE2 N 15 112.353 0.036 . . . . . A 45 GLN NE2 . 19282 1 546 . 1 1 46 46 ASP H H 1 7.545 0.002 . . . . . A 46 ASP H . 19282 1 547 . 1 1 46 46 ASP HA H 1 4.644 0.004 . . . . . A 46 ASP HA . 19282 1 548 . 1 1 46 46 ASP HB2 H 1 3.051 0.006 . . . . . A 46 ASP HB2 . 19282 1 549 . 1 1 46 46 ASP HB3 H 1 3.051 0.006 . . . . . A 46 ASP HB3 . 19282 1 550 . 1 1 46 46 ASP C C 13 175.286 0.003 . . . . . A 46 ASP C . 19282 1 551 . 1 1 46 46 ASP CA C 13 53.256 0.026 . . . . . A 46 ASP CA . 19282 1 552 . 1 1 46 46 ASP CB C 13 42.752 0.015 . . . . . A 46 ASP CB . 19282 1 553 . 1 1 46 46 ASP N N 15 114.490 0.027 . . . . . A 46 ASP N . 19282 1 554 . 1 1 47 47 GLN H H 1 8.954 0.003 . . . . . A 47 GLN H . 19282 1 555 . 1 1 47 47 GLN HA H 1 4.003 0.003 . . . . . A 47 GLN HA . 19282 1 556 . 1 1 47 47 GLN HB2 H 1 2.210 0.004 . . . . . A 47 GLN HB2 . 19282 1 557 . 1 1 47 47 GLN HB3 H 1 2.210 0.004 . . . . . A 47 GLN HB3 . 19282 1 558 . 1 1 47 47 GLN HG2 H 1 2.565 0.003 . . . . . A 47 GLN HG2 . 19282 1 559 . 1 1 47 47 GLN HG3 H 1 2.565 0.003 . . . . . A 47 GLN HG3 . 19282 1 560 . 1 1 47 47 GLN HE21 H 1 7.601 0.002 . . . . . A 47 GLN HE21 . 19282 1 561 . 1 1 47 47 GLN HE22 H 1 6.837 0.002 . . . . . A 47 GLN HE22 . 19282 1 562 . 1 1 47 47 GLN C C 13 177.858 0.002 . . . . . A 47 GLN C . 19282 1 563 . 1 1 47 47 GLN CA C 13 58.995 0.065 . . . . . A 47 GLN CA . 19282 1 564 . 1 1 47 47 GLN CB C 13 28.468 0.100 . . . . . A 47 GLN CB . 19282 1 565 . 1 1 47 47 GLN CG C 13 34.321 0.040 . . . . . A 47 GLN CG . 19282 1 566 . 1 1 47 47 GLN N N 15 118.745 0.033 . . . . . A 47 GLN N . 19282 1 567 . 1 1 47 47 GLN NE2 N 15 111.442 0.049 . . . . . A 47 GLN NE2 . 19282 1 568 . 1 1 48 48 GLU H H 1 8.532 0.002 . . . . . A 48 GLU H . 19282 1 569 . 1 1 48 48 GLU HA H 1 4.082 0.004 . . . . . A 48 GLU HA . 19282 1 570 . 1 1 48 48 GLU HB2 H 1 2.165 0.003 . . . . . A 48 GLU HB2 . 19282 1 571 . 1 1 48 48 GLU HB3 H 1 2.165 0.003 . . . . . A 48 GLU HB3 . 19282 1 572 . 1 1 48 48 GLU HG2 H 1 2.463 0.003 . . . . . A 48 GLU HG2 . 19282 1 573 . 1 1 48 48 GLU HG3 H 1 2.396 0.005 . . . . . A 48 GLU HG3 . 19282 1 574 . 1 1 48 48 GLU C C 13 179.073 0.002 . . . . . A 48 GLU C . 19282 1 575 . 1 1 48 48 GLU CA C 13 59.950 0.044 . . . . . A 48 GLU CA . 19282 1 576 . 1 1 48 48 GLU CB C 13 28.747 0.095 . . . . . A 48 GLU CB . 19282 1 577 . 1 1 48 48 GLU CG C 13 36.724 0.021 . . . . . A 48 GLU CG . 19282 1 578 . 1 1 48 48 GLU N N 15 121.721 0.039 . . . . . A 48 GLU N . 19282 1 579 . 1 1 49 49 GLU H H 1 8.336 0.003 . . . . . A 49 GLU H . 19282 1 580 . 1 1 49 49 GLU HA H 1 3.776 0.005 . . . . . A 49 GLU HA . 19282 1 581 . 1 1 49 49 GLU HB2 H 1 2.290 0.004 . . . . . A 49 GLU HB2 . 19282 1 582 . 1 1 49 49 GLU HB3 H 1 2.180 0.005 . . . . . A 49 GLU HB3 . 19282 1 583 . 1 1 49 49 GLU HG2 H 1 2.401 0.002 . . . . . A 49 GLU HG2 . 19282 1 584 . 1 1 49 49 GLU HG3 H 1 2.279 0.004 . . . . . A 49 GLU HG3 . 19282 1 585 . 1 1 49 49 GLU C C 13 177.707 0.002 . . . . . A 49 GLU C . 19282 1 586 . 1 1 49 49 GLU CA C 13 59.829 0.058 . . . . . A 49 GLU CA . 19282 1 587 . 1 1 49 49 GLU CB C 13 30.627 0.096 . . . . . A 49 GLU CB . 19282 1 588 . 1 1 49 49 GLU CG C 13 37.578 0.084 . . . . . A 49 GLU CG . 19282 1 589 . 1 1 49 49 GLU N N 15 120.709 0.025 . . . . . A 49 GLU N . 19282 1 590 . 1 1 50 50 LEU H H 1 7.175 0.003 . . . . . A 50 LEU H . 19282 1 591 . 1 1 50 50 LEU HA H 1 3.937 0.008 . . . . . A 50 LEU HA . 19282 1 592 . 1 1 50 50 LEU HB2 H 1 2.066 0.003 . . . . . A 50 LEU HB2 . 19282 1 593 . 1 1 50 50 LEU HB3 H 1 1.433 0.005 . . . . . A 50 LEU HB3 . 19282 1 594 . 1 1 50 50 LEU HG H 1 1.553 0.005 . . . . . A 50 LEU HG . 19282 1 595 . 1 1 50 50 LEU HD11 H 1 0.953 0.003 . . . . . A 50 LEU HD11 . 19282 1 596 . 1 1 50 50 LEU HD12 H 1 0.953 0.003 . . . . . A 50 LEU HD12 . 19282 1 597 . 1 1 50 50 LEU HD13 H 1 0.953 0.003 . . . . . A 50 LEU HD13 . 19282 1 598 . 1 1 50 50 LEU HD21 H 1 0.856 0.003 . . . . . A 50 LEU HD21 . 19282 1 599 . 1 1 50 50 LEU HD22 H 1 0.856 0.003 . . . . . A 50 LEU HD22 . 19282 1 600 . 1 1 50 50 LEU HD23 H 1 0.856 0.003 . . . . . A 50 LEU HD23 . 19282 1 601 . 1 1 50 50 LEU C C 13 177.342 0.001 . . . . . A 50 LEU C . 19282 1 602 . 1 1 50 50 LEU CA C 13 58.275 0.037 . . . . . A 50 LEU CA . 19282 1 603 . 1 1 50 50 LEU CB C 13 41.705 0.042 . . . . . A 50 LEU CB . 19282 1 604 . 1 1 50 50 LEU CG C 13 27.122 0.027 . . . . . A 50 LEU CG . 19282 1 605 . 1 1 50 50 LEU CD1 C 13 25.788 0.029 . . . . . A 50 LEU CD1 . 19282 1 606 . 1 1 50 50 LEU CD2 C 13 23.356 0.035 . . . . . A 50 LEU CD2 . 19282 1 607 . 1 1 50 50 LEU N N 15 118.070 0.025 . . . . . A 50 LEU N . 19282 1 608 . 1 1 51 51 ARG H H 1 8.135 0.002 . . . . . A 51 ARG H . 19282 1 609 . 1 1 51 51 ARG HA H 1 3.807 0.004 . . . . . A 51 ARG HA . 19282 1 610 . 1 1 51 51 ARG HB2 H 1 1.979 0.005 . . . . . A 51 ARG HB2 . 19282 1 611 . 1 1 51 51 ARG HB3 H 1 1.979 0.005 . . . . . A 51 ARG HB3 . 19282 1 612 . 1 1 51 51 ARG HG2 H 1 1.775 0.004 . . . . . A 51 ARG HG2 . 19282 1 613 . 1 1 51 51 ARG HG3 H 1 1.730 0.004 . . . . . A 51 ARG HG3 . 19282 1 614 . 1 1 51 51 ARG HD2 H 1 3.290 0.005 . . . . . A 51 ARG HD2 . 19282 1 615 . 1 1 51 51 ARG HD3 H 1 3.231 0.007 . . . . . A 51 ARG HD3 . 19282 1 616 . 1 1 51 51 ARG HE H 1 7.450 0.005 . . . . . A 51 ARG HE . 19282 1 617 . 1 1 51 51 ARG C C 13 177.876 0.002 . . . . . A 51 ARG C . 19282 1 618 . 1 1 51 51 ARG CA C 13 59.373 0.034 . . . . . A 51 ARG CA . 19282 1 619 . 1 1 51 51 ARG CB C 13 29.928 0.057 . . . . . A 51 ARG CB . 19282 1 620 . 1 1 51 51 ARG CG C 13 26.787 0.066 . . . . . A 51 ARG CG . 19282 1 621 . 1 1 51 51 ARG CD C 13 43.360 0.014 . . . . . A 51 ARG CD . 19282 1 622 . 1 1 51 51 ARG N N 15 117.898 0.033 . . . . . A 51 ARG N . 19282 1 623 . 1 1 51 51 ARG NE N 15 84.850 0.061 . . . . . A 51 ARG NE . 19282 1 624 . 1 1 52 52 PHE H H 1 8.003 0.003 . . . . . A 52 PHE H . 19282 1 625 . 1 1 52 52 PHE HA H 1 4.128 0.004 . . . . . A 52 PHE HA . 19282 1 626 . 1 1 52 52 PHE HB2 H 1 2.858 0.003 . . . . . A 52 PHE HB2 . 19282 1 627 . 1 1 52 52 PHE HB3 H 1 2.685 0.006 . . . . . A 52 PHE HB3 . 19282 1 628 . 1 1 52 52 PHE HD1 H 1 6.929 0.003 . . . . . A 52 PHE HD1 . 19282 1 629 . 1 1 52 52 PHE HD2 H 1 6.929 0.003 . . . . . A 52 PHE HD2 . 19282 1 630 . 1 1 52 52 PHE HE1 H 1 7.221 0.003 . . . . . A 52 PHE HE1 . 19282 1 631 . 1 1 52 52 PHE HE2 H 1 7.221 0.003 . . . . . A 52 PHE HE2 . 19282 1 632 . 1 1 52 52 PHE HZ H 1 7.327 0.006 . . . . . A 52 PHE HZ . 19282 1 633 . 1 1 52 52 PHE C C 13 178.379 0.004 . . . . . A 52 PHE C . 19282 1 634 . 1 1 52 52 PHE CA C 13 61.280 0.047 . . . . . A 52 PHE CA . 19282 1 635 . 1 1 52 52 PHE CB C 13 38.514 0.066 . . . . . A 52 PHE CB . 19282 1 636 . 1 1 52 52 PHE CD1 C 13 131.429 0.087 . . . . . A 52 PHE CD1 . 19282 1 637 . 1 1 52 52 PHE CD2 C 13 131.429 0.087 . . . . . A 52 PHE CD2 . 19282 1 638 . 1 1 52 52 PHE CE1 C 13 131.258 0.167 . . . . . A 52 PHE CE1 . 19282 1 639 . 1 1 52 52 PHE CE2 C 13 131.258 0.167 . . . . . A 52 PHE CE2 . 19282 1 640 . 1 1 52 52 PHE CZ C 13 130.350 0.179 . . . . . A 52 PHE CZ . 19282 1 641 . 1 1 52 52 PHE N N 15 118.865 0.056 . . . . . A 52 PHE N . 19282 1 642 . 1 1 53 53 LEU H H 1 7.824 0.002 . . . . . A 53 LEU H . 19282 1 643 . 1 1 53 53 LEU HA H 1 3.404 0.003 . . . . . A 53 LEU HA . 19282 1 644 . 1 1 53 53 LEU HB2 H 1 1.614 0.004 . . . . . A 53 LEU HB2 . 19282 1 645 . 1 1 53 53 LEU HB3 H 1 1.272 0.002 . . . . . A 53 LEU HB3 . 19282 1 646 . 1 1 53 53 LEU HG H 1 1.437 0.004 . . . . . A 53 LEU HG . 19282 1 647 . 1 1 53 53 LEU HD11 H 1 0.443 0.009 . . . . . A 53 LEU HD11 . 19282 1 648 . 1 1 53 53 LEU HD12 H 1 0.443 0.009 . . . . . A 53 LEU HD12 . 19282 1 649 . 1 1 53 53 LEU HD13 H 1 0.443 0.009 . . . . . A 53 LEU HD13 . 19282 1 650 . 1 1 53 53 LEU HD21 H 1 0.297 0.008 . . . . . A 53 LEU HD21 . 19282 1 651 . 1 1 53 53 LEU HD22 H 1 0.297 0.008 . . . . . A 53 LEU HD22 . 19282 1 652 . 1 1 53 53 LEU HD23 H 1 0.297 0.008 . . . . . A 53 LEU HD23 . 19282 1 653 . 1 1 53 53 LEU C C 13 178.870 0.002 . . . . . A 53 LEU C . 19282 1 654 . 1 1 53 53 LEU CA C 13 57.296 0.057 . . . . . A 53 LEU CA . 19282 1 655 . 1 1 53 53 LEU CB C 13 41.331 0.024 . . . . . A 53 LEU CB . 19282 1 656 . 1 1 53 53 LEU CG C 13 26.960 0.017 . . . . . A 53 LEU CG . 19282 1 657 . 1 1 53 53 LEU CD1 C 13 24.225 0.067 . . . . . A 53 LEU CD1 . 19282 1 658 . 1 1 53 53 LEU CD2 C 13 22.982 0.073 . . . . . A 53 LEU CD2 . 19282 1 659 . 1 1 53 53 LEU N N 15 122.451 0.041 . . . . . A 53 LEU N . 19282 1 660 . 1 1 54 54 LEU H H 1 8.361 0.002 . . . . . A 54 LEU H . 19282 1 661 . 1 1 54 54 LEU HA H 1 3.787 0.003 . . . . . A 54 LEU HA . 19282 1 662 . 1 1 54 54 LEU HB2 H 1 1.795 0.004 . . . . . A 54 LEU HB2 . 19282 1 663 . 1 1 54 54 LEU HB3 H 1 1.382 0.003 . . . . . A 54 LEU HB3 . 19282 1 664 . 1 1 54 54 LEU HG H 1 1.787 0.002 . . . . . A 54 LEU HG . 19282 1 665 . 1 1 54 54 LEU HD11 H 1 0.748 0.001 . . . . . A 54 LEU HD11 . 19282 1 666 . 1 1 54 54 LEU HD12 H 1 0.748 0.001 . . . . . A 54 LEU HD12 . 19282 1 667 . 1 1 54 54 LEU HD13 H 1 0.748 0.001 . . . . . A 54 LEU HD13 . 19282 1 668 . 1 1 54 54 LEU HD21 H 1 0.725 0.002 . . . . . A 54 LEU HD21 . 19282 1 669 . 1 1 54 54 LEU HD22 H 1 0.725 0.002 . . . . . A 54 LEU HD22 . 19282 1 670 . 1 1 54 54 LEU HD23 H 1 0.725 0.002 . . . . . A 54 LEU HD23 . 19282 1 671 . 1 1 54 54 LEU C C 13 179.783 0.003 . . . . . A 54 LEU C . 19282 1 672 . 1 1 54 54 LEU CA C 13 57.933 0.074 . . . . . A 54 LEU CA . 19282 1 673 . 1 1 54 54 LEU CB C 13 40.931 0.030 . . . . . A 54 LEU CB . 19282 1 674 . 1 1 54 54 LEU CG C 13 26.379 0.033 . . . . . A 54 LEU CG . 19282 1 675 . 1 1 54 54 LEU CD1 C 13 25.460 0.003 . . . . . A 54 LEU CD1 . 19282 1 676 . 1 1 54 54 LEU CD2 C 13 22.649 0.023 . . . . . A 54 LEU CD2 . 19282 1 677 . 1 1 54 54 LEU N N 15 117.828 0.033 . . . . . A 54 LEU N . 19282 1 678 . 1 1 55 55 ASP H H 1 7.933 0.001 . . . . . A 55 ASP H . 19282 1 679 . 1 1 55 55 ASP HA H 1 4.377 0.004 . . . . . A 55 ASP HA . 19282 1 680 . 1 1 55 55 ASP HB2 H 1 2.627 0.005 . . . . . A 55 ASP HB2 . 19282 1 681 . 1 1 55 55 ASP HB3 H 1 2.519 0.004 . . . . . A 55 ASP HB3 . 19282 1 682 . 1 1 55 55 ASP C C 13 177.824 0.002 . . . . . A 55 ASP C . 19282 1 683 . 1 1 55 55 ASP CA C 13 56.232 0.037 . . . . . A 55 ASP CA . 19282 1 684 . 1 1 55 55 ASP CB C 13 40.833 0.038 . . . . . A 55 ASP CB . 19282 1 685 . 1 1 55 55 ASP N N 15 116.846 0.054 . . . . . A 55 ASP N . 19282 1 686 . 1 1 56 56 SER H H 1 7.441 0.004 . . . . . A 56 SER H . 19282 1 687 . 1 1 56 56 SER HA H 1 4.122 0.003 . . . . . A 56 SER HA . 19282 1 688 . 1 1 56 56 SER HB2 H 1 3.500 0.008 . . . . . A 56 SER HB2 . 19282 1 689 . 1 1 56 56 SER HB3 H 1 3.500 0.008 . . . . . A 56 SER HB3 . 19282 1 690 . 1 1 56 56 SER C C 13 174.277 0.003 . . . . . A 56 SER C . 19282 1 691 . 1 1 56 56 SER CA C 13 60.677 0.033 . . . . . A 56 SER CA . 19282 1 692 . 1 1 56 56 SER CB C 13 63.675 0.076 . . . . . A 56 SER CB . 19282 1 693 . 1 1 56 56 SER N N 15 114.399 0.029 . . . . . A 56 SER N . 19282 1 694 . 1 1 57 57 ILE H H 1 7.378 0.003 . . . . . A 57 ILE H . 19282 1 695 . 1 1 57 57 ILE HA H 1 3.797 0.005 . . . . . A 57 ILE HA . 19282 1 696 . 1 1 57 57 ILE HB H 1 1.580 0.003 . . . . . A 57 ILE HB . 19282 1 697 . 1 1 57 57 ILE HG12 H 1 1.282 0.005 . . . . . A 57 ILE HG12 . 19282 1 698 . 1 1 57 57 ILE HG13 H 1 0.625 0.004 . . . . . A 57 ILE HG13 . 19282 1 699 . 1 1 57 57 ILE HG21 H 1 0.534 0.007 . . . . . A 57 ILE HG21 . 19282 1 700 . 1 1 57 57 ILE HG22 H 1 0.534 0.007 . . . . . A 57 ILE HG22 . 19282 1 701 . 1 1 57 57 ILE HG23 H 1 0.534 0.007 . . . . . A 57 ILE HG23 . 19282 1 702 . 1 1 57 57 ILE HD11 H 1 0.128 0.003 . . . . . A 57 ILE HD11 . 19282 1 703 . 1 1 57 57 ILE HD12 H 1 0.128 0.003 . . . . . A 57 ILE HD12 . 19282 1 704 . 1 1 57 57 ILE HD13 H 1 0.128 0.003 . . . . . A 57 ILE HD13 . 19282 1 705 . 1 1 57 57 ILE C C 13 175.873 0.002 . . . . . A 57 ILE C . 19282 1 706 . 1 1 57 57 ILE CA C 13 61.811 0.046 . . . . . A 57 ILE CA . 19282 1 707 . 1 1 57 57 ILE CB C 13 38.566 0.037 . . . . . A 57 ILE CB . 19282 1 708 . 1 1 57 57 ILE CG1 C 13 27.031 0.036 . . . . . A 57 ILE CG1 . 19282 1 709 . 1 1 57 57 ILE CG2 C 13 18.036 0.037 . . . . . A 57 ILE CG2 . 19282 1 710 . 1 1 57 57 ILE CD1 C 13 13.218 0.059 . . . . . A 57 ILE CD1 . 19282 1 711 . 1 1 57 57 ILE N N 15 121.159 0.034 . . . . . A 57 ILE N . 19282 1 712 . 1 1 58 58 LYS H H 1 8.218 0.003 . . . . . A 58 LYS H . 19282 1 713 . 1 1 58 58 LYS HA H 1 4.164 0.005 . . . . . A 58 LYS HA . 19282 1 714 . 1 1 58 58 LYS HB2 H 1 1.853 0.004 . . . . . A 58 LYS HB2 . 19282 1 715 . 1 1 58 58 LYS HB3 H 1 1.853 0.004 . . . . . A 58 LYS HB3 . 19282 1 716 . 1 1 58 58 LYS HG2 H 1 1.448 0.007 . . . . . A 58 LYS HG2 . 19282 1 717 . 1 1 58 58 LYS HG3 H 1 1.407 0.006 . . . . . A 58 LYS HG3 . 19282 1 718 . 1 1 58 58 LYS HD2 H 1 1.655 0.011 . . . . . A 58 LYS HD2 . 19282 1 719 . 1 1 58 58 LYS HD3 H 1 1.655 0.011 . . . . . A 58 LYS HD3 . 19282 1 720 . 1 1 58 58 LYS HE2 H 1 3.014 0.005 . . . . . A 58 LYS HE2 . 19282 1 721 . 1 1 58 58 LYS HE3 H 1 3.014 0.005 . . . . . A 58 LYS HE3 . 19282 1 722 . 1 1 58 58 LYS C C 13 177.266 0.001 . . . . . A 58 LYS C . 19282 1 723 . 1 1 58 58 LYS CA C 13 57.324 0.042 . . . . . A 58 LYS CA . 19282 1 724 . 1 1 58 58 LYS CB C 13 32.290 0.031 . . . . . A 58 LYS CB . 19282 1 725 . 1 1 58 58 LYS CG C 13 24.835 0.094 . . . . . A 58 LYS CG . 19282 1 726 . 1 1 58 58 LYS CD C 13 28.864 0.130 . . . . . A 58 LYS CD . 19282 1 727 . 1 1 58 58 LYS CE C 13 42.329 0.039 . . . . . A 58 LYS CE . 19282 1 728 . 1 1 58 58 LYS N N 15 124.292 0.043 . . . . . A 58 LYS N . 19282 1 729 . 1 1 59 59 GLU H H 1 7.761 0.003 . . . . . A 59 GLU H . 19282 1 730 . 1 1 59 59 GLU HA H 1 4.351 0.003 . . . . . A 59 GLU HA . 19282 1 731 . 1 1 59 59 GLU HB2 H 1 2.018 0.005 . . . . . A 59 GLU HB2 . 19282 1 732 . 1 1 59 59 GLU HB3 H 1 1.805 0.003 . . . . . A 59 GLU HB3 . 19282 1 733 . 1 1 59 59 GLU HG2 H 1 2.326 0.003 . . . . . A 59 GLU HG2 . 19282 1 734 . 1 1 59 59 GLU HG3 H 1 2.177 0.004 . . . . . A 59 GLU HG3 . 19282 1 735 . 1 1 59 59 GLU C C 13 176.023 0.003 . . . . . A 59 GLU C . 19282 1 736 . 1 1 59 59 GLU CA C 13 55.914 0.050 . . . . . A 59 GLU CA . 19282 1 737 . 1 1 59 59 GLU CB C 13 28.831 0.092 . . . . . A 59 GLU CB . 19282 1 738 . 1 1 59 59 GLU CG C 13 36.391 0.061 . . . . . A 59 GLU CG . 19282 1 739 . 1 1 59 59 GLU N N 15 119.807 0.022 . . . . . A 59 GLU N . 19282 1 740 . 1 1 60 60 LYS H H 1 8.051 0.003 . . . . . A 60 LYS H . 19282 1 741 . 1 1 60 60 LYS HA H 1 4.157 0.004 . . . . . A 60 LYS HA . 19282 1 742 . 1 1 60 60 LYS HB2 H 1 1.710 0.008 . . . . . A 60 LYS HB2 . 19282 1 743 . 1 1 60 60 LYS HB3 H 1 1.590 0.004 . . . . . A 60 LYS HB3 . 19282 1 744 . 1 1 60 60 LYS HG2 H 1 1.295 0.007 . . . . . A 60 LYS HG2 . 19282 1 745 . 1 1 60 60 LYS HG3 H 1 1.295 0.007 . . . . . A 60 LYS HG3 . 19282 1 746 . 1 1 60 60 LYS HD2 H 1 1.572 0.002 . . . . . A 60 LYS HD2 . 19282 1 747 . 1 1 60 60 LYS HD3 H 1 1.572 0.002 . . . . . A 60 LYS HD3 . 19282 1 748 . 1 1 60 60 LYS HE2 H 1 2.965 0.006 . . . . . A 60 LYS HE2 . 19282 1 749 . 1 1 60 60 LYS HE3 H 1 2.965 0.006 . . . . . A 60 LYS HE3 . 19282 1 750 . 1 1 60 60 LYS C C 13 176.229 0.005 . . . . . A 60 LYS C . 19282 1 751 . 1 1 60 60 LYS CA C 13 57.008 0.055 . . . . . A 60 LYS CA . 19282 1 752 . 1 1 60 60 LYS CB C 13 32.431 0.083 . . . . . A 60 LYS CB . 19282 1 753 . 1 1 60 60 LYS CG C 13 24.821 0.048 . . . . . A 60 LYS CG . 19282 1 754 . 1 1 60 60 LYS CD C 13 28.865 0.085 . . . . . A 60 LYS CD . 19282 1 755 . 1 1 60 60 LYS CE C 13 42.390 0.061 . . . . . A 60 LYS CE . 19282 1 756 . 1 1 60 60 LYS N N 15 120.606 0.054 . . . . . A 60 LYS N . 19282 1 757 . 1 1 61 61 TYR H H 1 7.756 0.002 . . . . . A 61 TYR H . 19282 1 758 . 1 1 61 61 TYR HA H 1 4.594 0.003 . . . . . A 61 TYR HA . 19282 1 759 . 1 1 61 61 TYR HB2 H 1 3.107 0.007 . . . . . A 61 TYR HB2 . 19282 1 760 . 1 1 61 61 TYR HB3 H 1 2.997 0.005 . . . . . A 61 TYR HB3 . 19282 1 761 . 1 1 61 61 TYR HD1 H 1 7.101 0.006 . . . . . A 61 TYR HD1 . 19282 1 762 . 1 1 61 61 TYR HD2 H 1 7.101 0.006 . . . . . A 61 TYR HD2 . 19282 1 763 . 1 1 61 61 TYR HE1 H 1 6.853 0.005 . . . . . A 61 TYR HE1 . 19282 1 764 . 1 1 61 61 TYR HE2 H 1 6.853 0.005 . . . . . A 61 TYR HE2 . 19282 1 765 . 1 1 61 61 TYR C C 13 175.714 0.003 . . . . . A 61 TYR C . 19282 1 766 . 1 1 61 61 TYR CA C 13 57.110 0.033 . . . . . A 61 TYR CA . 19282 1 767 . 1 1 61 61 TYR CB C 13 37.499 0.033 . . . . . A 61 TYR CB . 19282 1 768 . 1 1 61 61 TYR CD1 C 13 133.351 0.032 . . . . . A 61 TYR CD1 . 19282 1 769 . 1 1 61 61 TYR CD2 C 13 133.351 0.032 . . . . . A 61 TYR CD2 . 19282 1 770 . 1 1 61 61 TYR CE1 C 13 118.358 0.033 . . . . . A 61 TYR CE1 . 19282 1 771 . 1 1 61 61 TYR CE2 C 13 118.358 0.033 . . . . . A 61 TYR CE2 . 19282 1 772 . 1 1 61 61 TYR N N 15 115.876 0.046 . . . . . A 61 TYR N . 19282 1 773 . 1 1 62 62 ASN H H 1 7.477 0.002 . . . . . A 62 ASN H . 19282 1 774 . 1 1 62 62 ASN HA H 1 4.730 0.003 . . . . . A 62 ASN HA . 19282 1 775 . 1 1 62 62 ASN HB2 H 1 2.264 0.005 . . . . . A 62 ASN HB2 . 19282 1 776 . 1 1 62 62 ASN HB3 H 1 2.264 0.005 . . . . . A 62 ASN HB3 . 19282 1 777 . 1 1 62 62 ASN HD21 H 1 7.267 0.002 . . . . . A 62 ASN HD21 . 19282 1 778 . 1 1 62 62 ASN HD22 H 1 6.830 0.002 . . . . . A 62 ASN HD22 . 19282 1 779 . 1 1 62 62 ASN C C 13 173.016 0.001 . . . . . A 62 ASN C . 19282 1 780 . 1 1 62 62 ASN CA C 13 52.654 0.029 . . . . . A 62 ASN CA . 19282 1 781 . 1 1 62 62 ASN CB C 13 41.378 0.044 . . . . . A 62 ASN CB . 19282 1 782 . 1 1 62 62 ASN N N 15 118.634 0.041 . . . . . A 62 ASN N . 19282 1 783 . 1 1 62 62 ASN ND2 N 15 111.205 0.071 . . . . . A 62 ASN ND2 . 19282 1 784 . 1 1 63 63 SER H H 1 8.107 0.004 . . . . . A 63 SER H . 19282 1 785 . 1 1 63 63 SER HA H 1 5.256 0.003 . . . . . A 63 SER HA . 19282 1 786 . 1 1 63 63 SER HB2 H 1 3.254 0.007 . . . . . A 63 SER HB2 . 19282 1 787 . 1 1 63 63 SER HB3 H 1 3.219 0.005 . . . . . A 63 SER HB3 . 19282 1 788 . 1 1 63 63 SER C C 13 172.817 0.003 . . . . . A 63 SER C . 19282 1 789 . 1 1 63 63 SER CA C 13 57.506 0.028 . . . . . A 63 SER CA . 19282 1 790 . 1 1 63 63 SER CB C 13 63.821 0.031 . . . . . A 63 SER CB . 19282 1 791 . 1 1 63 63 SER N N 15 115.211 0.022 . . . . . A 63 SER N . 19282 1 792 . 1 1 64 64 PHE H H 1 8.735 0.002 . . . . . A 64 PHE H . 19282 1 793 . 1 1 64 64 PHE HA H 1 4.588 0.005 . . . . . A 64 PHE HA . 19282 1 794 . 1 1 64 64 PHE HB2 H 1 2.822 0.004 . . . . . A 64 PHE HB2 . 19282 1 795 . 1 1 64 64 PHE HB3 H 1 2.615 0.006 . . . . . A 64 PHE HB3 . 19282 1 796 . 1 1 64 64 PHE HD1 H 1 7.015 0.005 . . . . . A 64 PHE HD1 . 19282 1 797 . 1 1 64 64 PHE HD2 H 1 7.015 0.005 . . . . . A 64 PHE HD2 . 19282 1 798 . 1 1 64 64 PHE HE1 H 1 6.861 0.007 . . . . . A 64 PHE HE1 . 19282 1 799 . 1 1 64 64 PHE HE2 H 1 6.861 0.007 . . . . . A 64 PHE HE2 . 19282 1 800 . 1 1 64 64 PHE HZ H 1 7.040 0.006 . . . . . A 64 PHE HZ . 19282 1 801 . 1 1 64 64 PHE C C 13 175.495 0.004 . . . . . A 64 PHE C . 19282 1 802 . 1 1 64 64 PHE CA C 13 55.442 0.020 . . . . . A 64 PHE CA . 19282 1 803 . 1 1 64 64 PHE CB C 13 42.226 0.075 . . . . . A 64 PHE CB . 19282 1 804 . 1 1 64 64 PHE CD1 C 13 131.890 0.103 . . . . . A 64 PHE CD1 . 19282 1 805 . 1 1 64 64 PHE CD2 C 13 131.890 0.103 . . . . . A 64 PHE CD2 . 19282 1 806 . 1 1 64 64 PHE CE1 C 13 131.819 0.079 . . . . . A 64 PHE CE1 . 19282 1 807 . 1 1 64 64 PHE CE2 C 13 131.819 0.079 . . . . . A 64 PHE CE2 . 19282 1 808 . 1 1 64 64 PHE CZ C 13 128.979 0.080 . . . . . A 64 PHE CZ . 19282 1 809 . 1 1 64 64 PHE N N 15 118.959 0.062 . . . . . A 64 PHE N . 19282 1 810 . 1 1 65 65 TRP H H 1 10.282 0.004 . . . . . A 65 TRP H . 19282 1 811 . 1 1 65 65 TRP HA H 1 5.743 0.005 . . . . . A 65 TRP HA . 19282 1 812 . 1 1 65 65 TRP HB2 H 1 3.763 0.006 . . . . . A 65 TRP HB2 . 19282 1 813 . 1 1 65 65 TRP HB3 H 1 3.643 0.002 . . . . . A 65 TRP HB3 . 19282 1 814 . 1 1 65 65 TRP HD1 H 1 7.404 0.005 . . . . . A 65 TRP HD1 . 19282 1 815 . 1 1 65 65 TRP HE1 H 1 10.962 0.006 . . . . . A 65 TRP HE1 . 19282 1 816 . 1 1 65 65 TRP HE3 H 1 8.622 0.004 . . . . . A 65 TRP HE3 . 19282 1 817 . 1 1 65 65 TRP HZ2 H 1 8.235 0.003 . . . . . A 65 TRP HZ2 . 19282 1 818 . 1 1 65 65 TRP HZ3 H 1 7.114 0.005 . . . . . A 65 TRP HZ3 . 19282 1 819 . 1 1 65 65 TRP HH2 H 1 7.889 0.003 . . . . . A 65 TRP HH2 . 19282 1 820 . 1 1 65 65 TRP C C 13 175.951 0.001 . . . . . A 65 TRP C . 19282 1 821 . 1 1 65 65 TRP CA C 13 58.078 0.034 . . . . . A 65 TRP CA . 19282 1 822 . 1 1 65 65 TRP CB C 13 32.676 0.079 . . . . . A 65 TRP CB . 19282 1 823 . 1 1 65 65 TRP CD1 C 13 129.414 0.145 . . . . . A 65 TRP CD1 . 19282 1 824 . 1 1 65 65 TRP CE3 C 13 122.749 0.178 . . . . . A 65 TRP CE3 . 19282 1 825 . 1 1 65 65 TRP CZ2 C 13 116.947 0.033 . . . . . A 65 TRP CZ2 . 19282 1 826 . 1 1 65 65 TRP CZ3 C 13 122.866 0.157 . . . . . A 65 TRP CZ3 . 19282 1 827 . 1 1 65 65 TRP CH2 C 13 126.137 0.066 . . . . . A 65 TRP CH2 . 19282 1 828 . 1 1 65 65 TRP N N 15 124.651 0.032 . . . . . A 65 TRP N . 19282 1 829 . 1 1 65 65 TRP NE1 N 15 131.487 0.063 . . . . . A 65 TRP NE1 . 19282 1 830 . 1 1 66 66 ILE H H 1 8.443 0.003 . . . . . A 66 ILE H . 19282 1 831 . 1 1 66 66 ILE HA H 1 5.274 0.005 . . . . . A 66 ILE HA . 19282 1 832 . 1 1 66 66 ILE HB H 1 2.524 0.004 . . . . . A 66 ILE HB . 19282 1 833 . 1 1 66 66 ILE HG12 H 1 1.648 0.004 . . . . . A 66 ILE HG12 . 19282 1 834 . 1 1 66 66 ILE HG13 H 1 1.283 0.005 . . . . . A 66 ILE HG13 . 19282 1 835 . 1 1 66 66 ILE HG21 H 1 1.269 0.004 . . . . . A 66 ILE HG21 . 19282 1 836 . 1 1 66 66 ILE HG22 H 1 1.269 0.004 . . . . . A 66 ILE HG22 . 19282 1 837 . 1 1 66 66 ILE HG23 H 1 1.269 0.004 . . . . . A 66 ILE HG23 . 19282 1 838 . 1 1 66 66 ILE HD11 H 1 1.042 0.008 . . . . . A 66 ILE HD11 . 19282 1 839 . 1 1 66 66 ILE HD12 H 1 1.042 0.008 . . . . . A 66 ILE HD12 . 19282 1 840 . 1 1 66 66 ILE HD13 H 1 1.042 0.008 . . . . . A 66 ILE HD13 . 19282 1 841 . 1 1 66 66 ILE C C 13 177.380 0.002 . . . . . A 66 ILE C . 19282 1 842 . 1 1 66 66 ILE CA C 13 59.598 0.055 . . . . . A 66 ILE CA . 19282 1 843 . 1 1 66 66 ILE CB C 13 41.764 0.086 . . . . . A 66 ILE CB . 19282 1 844 . 1 1 66 66 ILE CG1 C 13 25.875 0.038 . . . . . A 66 ILE CG1 . 19282 1 845 . 1 1 66 66 ILE CG2 C 13 18.717 0.040 . . . . . A 66 ILE CG2 . 19282 1 846 . 1 1 66 66 ILE CD1 C 13 14.769 0.064 . . . . . A 66 ILE CD1 . 19282 1 847 . 1 1 66 66 ILE N N 15 109.430 0.034 . . . . . A 66 ILE N . 19282 1 848 . 1 1 67 67 GLY H H 1 10.395 0.008 . . . . . A 67 GLY H . 19282 1 849 . 1 1 67 67 GLY HA2 H 1 4.625 0.008 . . . . . A 67 GLY HA2 . 19282 1 850 . 1 1 67 67 GLY HA3 H 1 3.689 0.006 . . . . . A 67 GLY HA3 . 19282 1 851 . 1 1 67 67 GLY C C 13 172.897 0.001 . . . . . A 67 GLY C . 19282 1 852 . 1 1 67 67 GLY CA C 13 49.995 0.028 . . . . . A 67 GLY CA . 19282 1 853 . 1 1 67 67 GLY N N 15 111.319 0.051 . . . . . A 67 GLY N . 19282 1 854 . 1 1 68 68 LEU H H 1 8.446 0.004 . . . . . A 68 LEU H . 19282 1 855 . 1 1 68 68 LEU HA H 1 4.884 0.005 . . . . . A 68 LEU HA . 19282 1 856 . 1 1 68 68 LEU HB2 H 1 1.440 0.005 . . . . . A 68 LEU HB2 . 19282 1 857 . 1 1 68 68 LEU HB3 H 1 0.784 0.006 . . . . . A 68 LEU HB3 . 19282 1 858 . 1 1 68 68 LEU HG H 1 1.309 0.004 . . . . . A 68 LEU HG . 19282 1 859 . 1 1 68 68 LEU HD11 H 1 0.051 0.007 . . . . . A 68 LEU HD11 . 19282 1 860 . 1 1 68 68 LEU HD12 H 1 0.051 0.007 . . . . . A 68 LEU HD12 . 19282 1 861 . 1 1 68 68 LEU HD13 H 1 0.051 0.007 . . . . . A 68 LEU HD13 . 19282 1 862 . 1 1 68 68 LEU HD21 H 1 -0.189 0.005 . . . . . A 68 LEU HD21 . 19282 1 863 . 1 1 68 68 LEU HD22 H 1 -0.189 0.005 . . . . . A 68 LEU HD22 . 19282 1 864 . 1 1 68 68 LEU HD23 H 1 -0.189 0.005 . . . . . A 68 LEU HD23 . 19282 1 865 . 1 1 68 68 LEU C C 13 173.367 0.007 . . . . . A 68 LEU C . 19282 1 866 . 1 1 68 68 LEU CA C 13 54.637 0.042 . . . . . A 68 LEU CA . 19282 1 867 . 1 1 68 68 LEU CB C 13 46.081 0.039 . . . . . A 68 LEU CB . 19282 1 868 . 1 1 68 68 LEU CG C 13 26.317 0.028 . . . . . A 68 LEU CG . 19282 1 869 . 1 1 68 68 LEU CD1 C 13 25.664 0.052 . . . . . A 68 LEU CD1 . 19282 1 870 . 1 1 68 68 LEU CD2 C 13 21.998 0.020 . . . . . A 68 LEU CD2 . 19282 1 871 . 1 1 68 68 LEU N N 15 127.499 0.037 . . . . . A 68 LEU N . 19282 1 872 . 1 1 69 69 ARG H H 1 8.479 0.002 . . . . . A 69 ARG H . 19282 1 873 . 1 1 69 69 ARG HA H 1 4.910 0.005 . . . . . A 69 ARG HA . 19282 1 874 . 1 1 69 69 ARG HB2 H 1 1.403 0.005 . . . . . A 69 ARG HB2 . 19282 1 875 . 1 1 69 69 ARG HB3 H 1 1.338 0.005 . . . . . A 69 ARG HB3 . 19282 1 876 . 1 1 69 69 ARG HG2 H 1 1.227 0.005 . . . . . A 69 ARG HG2 . 19282 1 877 . 1 1 69 69 ARG HG3 H 1 1.227 0.005 . . . . . A 69 ARG HG3 . 19282 1 878 . 1 1 69 69 ARG HD2 H 1 2.390 0.004 . . . . . A 69 ARG HD2 . 19282 1 879 . 1 1 69 69 ARG HD3 H 1 1.931 0.007 . . . . . A 69 ARG HD3 . 19282 1 880 . 1 1 69 69 ARG HE H 1 6.747 0.002 . . . . . A 69 ARG HE . 19282 1 881 . 1 1 69 69 ARG C C 13 173.026 0.002 . . . . . A 69 ARG C . 19282 1 882 . 1 1 69 69 ARG CA C 13 55.478 0.032 . . . . . A 69 ARG CA . 19282 1 883 . 1 1 69 69 ARG CB C 13 34.344 0.026 . . . . . A 69 ARG CB . 19282 1 884 . 1 1 69 69 ARG CG C 13 25.978 0.066 . . . . . A 69 ARG CG . 19282 1 885 . 1 1 69 69 ARG CD C 13 43.527 0.073 . . . . . A 69 ARG CD . 19282 1 886 . 1 1 69 69 ARG N N 15 124.432 0.056 . . . . . A 69 ARG N . 19282 1 887 . 1 1 69 69 ARG NE N 15 85.537 0.052 . . . . . A 69 ARG NE . 19282 1 888 . 1 1 70 70 TYR H H 1 7.936 0.002 . . . . . A 70 TYR H . 19282 1 889 . 1 1 70 70 TYR HA H 1 3.876 0.005 . . . . . A 70 TYR HA . 19282 1 890 . 1 1 70 70 TYR HB2 H 1 1.979 0.006 . . . . . A 70 TYR HB2 . 19282 1 891 . 1 1 70 70 TYR HB3 H 1 0.467 0.008 . . . . . A 70 TYR HB3 . 19282 1 892 . 1 1 70 70 TYR HD1 H 1 5.700 0.004 . . . . . A 70 TYR HD1 . 19282 1 893 . 1 1 70 70 TYR HD2 H 1 5.700 0.004 . . . . . A 70 TYR HD2 . 19282 1 894 . 1 1 70 70 TYR HE1 H 1 6.165 0.005 . . . . . A 70 TYR HE1 . 19282 1 895 . 1 1 70 70 TYR HE2 H 1 6.165 0.005 . . . . . A 70 TYR HE2 . 19282 1 896 . 1 1 70 70 TYR C C 13 175.118 0.002 . . . . . A 70 TYR C . 19282 1 897 . 1 1 70 70 TYR CA C 13 57.747 0.059 . . . . . A 70 TYR CA . 19282 1 898 . 1 1 70 70 TYR CB C 13 38.231 0.071 . . . . . A 70 TYR CB . 19282 1 899 . 1 1 70 70 TYR CD1 C 13 132.752 0.057 . . . . . A 70 TYR CD1 . 19282 1 900 . 1 1 70 70 TYR CD2 C 13 132.752 0.057 . . . . . A 70 TYR CD2 . 19282 1 901 . 1 1 70 70 TYR CE1 C 13 116.986 0.072 . . . . . A 70 TYR CE1 . 19282 1 902 . 1 1 70 70 TYR CE2 C 13 116.986 0.072 . . . . . A 70 TYR CE2 . 19282 1 903 . 1 1 70 70 TYR N N 15 128.687 0.042 . . . . . A 70 TYR N . 19282 1 904 . 1 1 71 71 THR H H 1 7.701 0.002 . . . . . A 71 THR H . 19282 1 905 . 1 1 71 71 THR HA H 1 4.477 0.002 . . . . . A 71 THR HA . 19282 1 906 . 1 1 71 71 THR HB H 1 3.896 0.005 . . . . . A 71 THR HB . 19282 1 907 . 1 1 71 71 THR HG21 H 1 1.036 0.003 . . . . . A 71 THR HG21 . 19282 1 908 . 1 1 71 71 THR HG22 H 1 1.036 0.003 . . . . . A 71 THR HG22 . 19282 1 909 . 1 1 71 71 THR HG23 H 1 1.036 0.003 . . . . . A 71 THR HG23 . 19282 1 910 . 1 1 71 71 THR C C 13 172.547 0.006 . . . . . A 71 THR C . 19282 1 911 . 1 1 71 71 THR CA C 13 60.631 0.043 . . . . . A 71 THR CA . 19282 1 912 . 1 1 71 71 THR CB C 13 71.324 0.041 . . . . . A 71 THR CB . 19282 1 913 . 1 1 71 71 THR CG2 C 13 21.288 0.078 . . . . . A 71 THR CG2 . 19282 1 914 . 1 1 71 71 THR N N 15 120.097 0.016 . . . . . A 71 THR N . 19282 1 915 . 1 1 72 72 LEU H H 1 8.487 0.002 . . . . . A 72 LEU H . 19282 1 916 . 1 1 72 72 LEU HA H 1 4.266 0.007 . . . . . A 72 LEU HA . 19282 1 917 . 1 1 72 72 LEU HB2 H 1 1.598 0.003 . . . . . A 72 LEU HB2 . 19282 1 918 . 1 1 72 72 LEU HB3 H 1 1.458 0.004 . . . . . A 72 LEU HB3 . 19282 1 919 . 1 1 72 72 LEU HG H 1 1.609 0.004 . . . . . A 72 LEU HG . 19282 1 920 . 1 1 72 72 LEU HD11 H 1 0.905 0.002 . . . . . A 72 LEU HD11 . 19282 1 921 . 1 1 72 72 LEU HD12 H 1 0.905 0.002 . . . . . A 72 LEU HD12 . 19282 1 922 . 1 1 72 72 LEU HD13 H 1 0.905 0.002 . . . . . A 72 LEU HD13 . 19282 1 923 . 1 1 72 72 LEU HD21 H 1 0.855 0.003 . . . . . A 72 LEU HD21 . 19282 1 924 . 1 1 72 72 LEU HD22 H 1 0.855 0.003 . . . . . A 72 LEU HD22 . 19282 1 925 . 1 1 72 72 LEU HD23 H 1 0.855 0.003 . . . . . A 72 LEU HD23 . 19282 1 926 . 1 1 72 72 LEU C C 13 175.916 0.000 . . . . . A 72 LEU C . 19282 1 927 . 1 1 72 72 LEU CA C 13 52.874 0.065 . . . . . A 72 LEU CA . 19282 1 928 . 1 1 72 72 LEU CB C 13 41.820 0.020 . . . . . A 72 LEU CB . 19282 1 929 . 1 1 72 72 LEU CG C 13 27.802 0.055 . . . . . A 72 LEU CG . 19282 1 930 . 1 1 72 72 LEU CD1 C 13 24.973 0.049 . . . . . A 72 LEU CD1 . 19282 1 931 . 1 1 72 72 LEU CD2 C 13 24.188 0.029 . . . . . A 72 LEU CD2 . 19282 1 932 . 1 1 72 72 LEU N N 15 125.241 0.071 . . . . . A 72 LEU N . 19282 1 933 . 1 1 73 73 PRO HA H 1 4.409 0.001 . . . . . A 73 PRO HA . 19282 1 934 . 1 1 73 73 PRO HB2 H 1 2.268 0.005 . . . . . A 73 PRO HB2 . 19282 1 935 . 1 1 73 73 PRO HB3 H 1 2.268 0.005 . . . . . A 73 PRO HB3 . 19282 1 936 . 1 1 73 73 PRO HG2 H 1 1.957 0.003 . . . . . A 73 PRO HG2 . 19282 1 937 . 1 1 73 73 PRO HG3 H 1 1.699 0.004 . . . . . A 73 PRO HG3 . 19282 1 938 . 1 1 73 73 PRO HD2 H 1 3.534 0.006 . . . . . A 73 PRO HD2 . 19282 1 939 . 1 1 73 73 PRO HD3 H 1 3.463 0.003 . . . . . A 73 PRO HD3 . 19282 1 940 . 1 1 73 73 PRO C C 13 176.278 0.003 . . . . . A 73 PRO C . 19282 1 941 . 1 1 73 73 PRO CA C 13 63.549 0.043 . . . . . A 73 PRO CA . 19282 1 942 . 1 1 73 73 PRO CB C 13 34.136 0.020 . . . . . A 73 PRO CB . 19282 1 943 . 1 1 73 73 PRO CG C 13 24.167 0.066 . . . . . A 73 PRO CG . 19282 1 944 . 1 1 73 73 PRO CD C 13 50.136 0.032 . . . . . A 73 PRO CD . 19282 1 945 . 1 1 74 74 ASP H H 1 8.716 0.002 . . . . . A 74 ASP H . 19282 1 946 . 1 1 74 74 ASP HA H 1 4.157 0.003 . . . . . A 74 ASP HA . 19282 1 947 . 1 1 74 74 ASP HB2 H 1 2.512 0.006 . . . . . A 74 ASP HB2 . 19282 1 948 . 1 1 74 74 ASP HB3 H 1 2.401 0.007 . . . . . A 74 ASP HB3 . 19282 1 949 . 1 1 74 74 ASP C C 13 175.592 0.002 . . . . . A 74 ASP C . 19282 1 950 . 1 1 74 74 ASP CA C 13 56.528 0.043 . . . . . A 74 ASP CA . 19282 1 951 . 1 1 74 74 ASP CB C 13 39.688 0.033 . . . . . A 74 ASP CB . 19282 1 952 . 1 1 74 74 ASP N N 15 123.018 0.030 . . . . . A 74 ASP N . 19282 1 953 . 1 1 75 75 MET H H 1 8.421 0.002 . . . . . A 75 MET H . 19282 1 954 . 1 1 75 75 MET HA H 1 3.319 0.002 . . . . . A 75 MET HA . 19282 1 955 . 1 1 75 75 MET HB2 H 1 2.265 0.002 . . . . . A 75 MET HB2 . 19282 1 956 . 1 1 75 75 MET HB3 H 1 2.172 0.004 . . . . . A 75 MET HB3 . 19282 1 957 . 1 1 75 75 MET HG2 H 1 2.463 0.003 . . . . . A 75 MET HG2 . 19282 1 958 . 1 1 75 75 MET HG3 H 1 2.302 0.006 . . . . . A 75 MET HG3 . 19282 1 959 . 1 1 75 75 MET HE1 H 1 2.113 0.000 . . . . . A 75 MET HE1 . 19282 1 960 . 1 1 75 75 MET HE2 H 1 2.113 0.000 . . . . . A 75 MET HE2 . 19282 1 961 . 1 1 75 75 MET HE3 H 1 2.113 0.000 . . . . . A 75 MET HE3 . 19282 1 962 . 1 1 75 75 MET C C 13 174.354 0.005 . . . . . A 75 MET C . 19282 1 963 . 1 1 75 75 MET CA C 13 56.042 0.062 . . . . . A 75 MET CA . 19282 1 964 . 1 1 75 75 MET CB C 13 29.181 0.100 . . . . . A 75 MET CB . 19282 1 965 . 1 1 75 75 MET CG C 13 32.333 0.070 . . . . . A 75 MET CG . 19282 1 966 . 1 1 75 75 MET CE C 13 16.868 0.006 . . . . . A 75 MET CE . 19282 1 967 . 1 1 75 75 MET N N 15 113.361 0.031 . . . . . A 75 MET N . 19282 1 968 . 1 1 76 76 ASN H H 1 6.883 0.004 . . . . . A 76 ASN H . 19282 1 969 . 1 1 76 76 ASN HA H 1 4.808 0.003 . . . . . A 76 ASN HA . 19282 1 970 . 1 1 76 76 ASN HB2 H 1 2.648 0.005 . . . . . A 76 ASN HB2 . 19282 1 971 . 1 1 76 76 ASN HB3 H 1 2.598 0.006 . . . . . A 76 ASN HB3 . 19282 1 972 . 1 1 76 76 ASN HD21 H 1 7.470 0.001 . . . . . A 76 ASN HD21 . 19282 1 973 . 1 1 76 76 ASN HD22 H 1 6.864 0.002 . . . . . A 76 ASN HD22 . 19282 1 974 . 1 1 76 76 ASN C C 13 173.984 0.003 . . . . . A 76 ASN C . 19282 1 975 . 1 1 76 76 ASN CA C 13 51.283 0.029 . . . . . A 76 ASN CA . 19282 1 976 . 1 1 76 76 ASN CB C 13 41.823 0.030 . . . . . A 76 ASN CB . 19282 1 977 . 1 1 76 76 ASN N N 15 112.997 0.042 . . . . . A 76 ASN N . 19282 1 978 . 1 1 76 76 ASN ND2 N 15 111.920 0.042 . . . . . A 76 ASN ND2 . 19282 1 979 . 1 1 77 77 TRP H H 1 8.766 0.005 . . . . . A 77 TRP H . 19282 1 980 . 1 1 77 77 TRP HA H 1 4.534 0.007 . . . . . A 77 TRP HA . 19282 1 981 . 1 1 77 77 TRP HB2 H 1 3.091 0.006 . . . . . A 77 TRP HB2 . 19282 1 982 . 1 1 77 77 TRP HB3 H 1 2.800 0.008 . . . . . A 77 TRP HB3 . 19282 1 983 . 1 1 77 77 TRP HD1 H 1 7.294 0.003 . . . . . A 77 TRP HD1 . 19282 1 984 . 1 1 77 77 TRP HE1 H 1 9.921 0.005 . . . . . A 77 TRP HE1 . 19282 1 985 . 1 1 77 77 TRP HE3 H 1 7.001 0.005 . . . . . A 77 TRP HE3 . 19282 1 986 . 1 1 77 77 TRP HZ2 H 1 6.464 0.005 . . . . . A 77 TRP HZ2 . 19282 1 987 . 1 1 77 77 TRP HZ3 H 1 6.662 0.004 . . . . . A 77 TRP HZ3 . 19282 1 988 . 1 1 77 77 TRP HH2 H 1 6.582 0.004 . . . . . A 77 TRP HH2 . 19282 1 989 . 1 1 77 77 TRP C C 13 175.329 0.001 . . . . . A 77 TRP C . 19282 1 990 . 1 1 77 77 TRP CA C 13 57.615 0.029 . . . . . A 77 TRP CA . 19282 1 991 . 1 1 77 77 TRP CB C 13 30.117 0.071 . . . . . A 77 TRP CB . 19282 1 992 . 1 1 77 77 TRP CD1 C 13 126.794 0.065 . . . . . A 77 TRP CD1 . 19282 1 993 . 1 1 77 77 TRP CE3 C 13 119.336 0.187 . . . . . A 77 TRP CE3 . 19282 1 994 . 1 1 77 77 TRP CZ2 C 13 114.452 0.154 . . . . . A 77 TRP CZ2 . 19282 1 995 . 1 1 77 77 TRP CZ3 C 13 121.150 0.127 . . . . . A 77 TRP CZ3 . 19282 1 996 . 1 1 77 77 TRP CH2 C 13 124.037 0.158 . . . . . A 77 TRP CH2 . 19282 1 997 . 1 1 77 77 TRP N N 15 122.857 0.043 . . . . . A 77 TRP N . 19282 1 998 . 1 1 77 77 TRP NE1 N 15 129.954 0.019 . . . . . A 77 TRP NE1 . 19282 1 999 . 1 1 78 78 LYS H H 1 8.584 0.004 . . . . . A 78 LYS H . 19282 1 1000 . 1 1 78 78 LYS HA H 1 4.969 0.005 . . . . . A 78 LYS HA . 19282 1 1001 . 1 1 78 78 LYS HB2 H 1 1.800 0.004 . . . . . A 78 LYS HB2 . 19282 1 1002 . 1 1 78 78 LYS HB3 H 1 1.633 0.004 . . . . . A 78 LYS HB3 . 19282 1 1003 . 1 1 78 78 LYS HG2 H 1 1.350 0.004 . . . . . A 78 LYS HG2 . 19282 1 1004 . 1 1 78 78 LYS HG3 H 1 1.312 0.006 . . . . . A 78 LYS HG3 . 19282 1 1005 . 1 1 78 78 LYS HD2 H 1 1.608 0.006 . . . . . A 78 LYS HD2 . 19282 1 1006 . 1 1 78 78 LYS HD3 H 1 1.608 0.006 . . . . . A 78 LYS HD3 . 19282 1 1007 . 1 1 78 78 LYS HE2 H 1 2.921 0.011 . . . . . A 78 LYS HE2 . 19282 1 1008 . 1 1 78 78 LYS HE3 H 1 2.921 0.011 . . . . . A 78 LYS HE3 . 19282 1 1009 . 1 1 78 78 LYS C C 13 177.225 0.001 . . . . . A 78 LYS C . 19282 1 1010 . 1 1 78 78 LYS CA C 13 55.149 0.042 . . . . . A 78 LYS CA . 19282 1 1011 . 1 1 78 78 LYS CB C 13 36.697 0.043 . . . . . A 78 LYS CB . 19282 1 1012 . 1 1 78 78 LYS CG C 13 24.954 0.064 . . . . . A 78 LYS CG . 19282 1 1013 . 1 1 78 78 LYS CD C 13 29.507 0.065 . . . . . A 78 LYS CD . 19282 1 1014 . 1 1 78 78 LYS CE C 13 42.168 0.123 . . . . . A 78 LYS CE . 19282 1 1015 . 1 1 78 78 LYS N N 15 121.731 0.043 . . . . . A 78 LYS N . 19282 1 1016 . 1 1 79 79 TRP H H 1 9.045 0.004 . . . . . A 79 TRP H . 19282 1 1017 . 1 1 79 79 TRP HA H 1 5.677 0.005 . . . . . A 79 TRP HA . 19282 1 1018 . 1 1 79 79 TRP HB2 H 1 3.619 0.008 . . . . . A 79 TRP HB2 . 19282 1 1019 . 1 1 79 79 TRP HB3 H 1 3.521 0.009 . . . . . A 79 TRP HB3 . 19282 1 1020 . 1 1 79 79 TRP HD1 H 1 7.233 0.004 . . . . . A 79 TRP HD1 . 19282 1 1021 . 1 1 79 79 TRP HE1 H 1 10.616 0.008 . . . . . A 79 TRP HE1 . 19282 1 1022 . 1 1 79 79 TRP HE3 H 1 7.355 0.003 . . . . . A 79 TRP HE3 . 19282 1 1023 . 1 1 79 79 TRP HZ2 H 1 7.478 0.003 . . . . . A 79 TRP HZ2 . 19282 1 1024 . 1 1 79 79 TRP HZ3 H 1 6.986 0.003 . . . . . A 79 TRP HZ3 . 19282 1 1025 . 1 1 79 79 TRP HH2 H 1 8.263 0.002 . . . . . A 79 TRP HH2 . 19282 1 1026 . 1 1 79 79 TRP C C 13 180.969 0.003 . . . . . A 79 TRP C . 19282 1 1027 . 1 1 79 79 TRP CA C 13 56.692 0.071 . . . . . A 79 TRP CA . 19282 1 1028 . 1 1 79 79 TRP CB C 13 31.944 0.053 . . . . . A 79 TRP CB . 19282 1 1029 . 1 1 79 79 TRP CD1 C 13 129.491 0.070 . . . . . A 79 TRP CD1 . 19282 1 1030 . 1 1 79 79 TRP CE3 C 13 120.805 0.060 . . . . . A 79 TRP CE3 . 19282 1 1031 . 1 1 79 79 TRP CZ2 C 13 115.797 0.027 . . . . . A 79 TRP CZ2 . 19282 1 1032 . 1 1 79 79 TRP CZ3 C 13 122.926 0.046 . . . . . A 79 TRP CZ3 . 19282 1 1033 . 1 1 79 79 TRP CH2 C 13 123.774 0.076 . . . . . A 79 TRP CH2 . 19282 1 1034 . 1 1 79 79 TRP N N 15 124.809 0.054 . . . . . A 79 TRP N . 19282 1 1035 . 1 1 79 79 TRP NE1 N 15 130.422 0.029 . . . . . A 79 TRP NE1 . 19282 1 1036 . 1 1 80 80 ILE H H 1 8.493 0.004 . . . . . A 80 ILE H . 19282 1 1037 . 1 1 80 80 ILE HA H 1 4.355 0.003 . . . . . A 80 ILE HA . 19282 1 1038 . 1 1 80 80 ILE HB H 1 2.407 0.002 . . . . . A 80 ILE HB . 19282 1 1039 . 1 1 80 80 ILE HG12 H 1 1.763 0.004 . . . . . A 80 ILE HG12 . 19282 1 1040 . 1 1 80 80 ILE HG13 H 1 1.661 0.004 . . . . . A 80 ILE HG13 . 19282 1 1041 . 1 1 80 80 ILE HG21 H 1 1.343 0.003 . . . . . A 80 ILE HG21 . 19282 1 1042 . 1 1 80 80 ILE HG22 H 1 1.343 0.003 . . . . . A 80 ILE HG22 . 19282 1 1043 . 1 1 80 80 ILE HG23 H 1 1.343 0.003 . . . . . A 80 ILE HG23 . 19282 1 1044 . 1 1 80 80 ILE HD11 H 1 1.162 0.005 . . . . . A 80 ILE HD11 . 19282 1 1045 . 1 1 80 80 ILE HD12 H 1 1.162 0.005 . . . . . A 80 ILE HD12 . 19282 1 1046 . 1 1 80 80 ILE HD13 H 1 1.162 0.005 . . . . . A 80 ILE HD13 . 19282 1 1047 . 1 1 80 80 ILE C C 13 175.690 0.006 . . . . . A 80 ILE C . 19282 1 1048 . 1 1 80 80 ILE CA C 13 63.782 0.044 . . . . . A 80 ILE CA . 19282 1 1049 . 1 1 80 80 ILE CB C 13 38.284 0.037 . . . . . A 80 ILE CB . 19282 1 1050 . 1 1 80 80 ILE CG1 C 13 27.409 0.032 . . . . . A 80 ILE CG1 . 19282 1 1051 . 1 1 80 80 ILE CG2 C 13 19.480 0.029 . . . . . A 80 ILE CG2 . 19282 1 1052 . 1 1 80 80 ILE CD1 C 13 15.226 0.060 . . . . . A 80 ILE CD1 . 19282 1 1053 . 1 1 80 80 ILE N N 15 114.947 0.095 . . . . . A 80 ILE N . 19282 1 1054 . 1 1 81 81 ASN H H 1 7.370 0.003 . . . . . A 81 ASN H . 19282 1 1055 . 1 1 81 81 ASN HA H 1 4.892 0.003 . . . . . A 81 ASN HA . 19282 1 1056 . 1 1 81 81 ASN HB2 H 1 3.439 0.003 . . . . . A 81 ASN HB2 . 19282 1 1057 . 1 1 81 81 ASN HB3 H 1 2.818 0.004 . . . . . A 81 ASN HB3 . 19282 1 1058 . 1 1 81 81 ASN HD21 H 1 7.830 0.001 . . . . . A 81 ASN HD21 . 19282 1 1059 . 1 1 81 81 ASN HD22 H 1 7.042 0.003 . . . . . A 81 ASN HD22 . 19282 1 1060 . 1 1 81 81 ASN C C 13 176.344 0.003 . . . . . A 81 ASN C . 19282 1 1061 . 1 1 81 81 ASN CA C 13 52.787 0.028 . . . . . A 81 ASN CA . 19282 1 1062 . 1 1 81 81 ASN CB C 13 37.778 0.037 . . . . . A 81 ASN CB . 19282 1 1063 . 1 1 81 81 ASN N N 15 116.185 0.034 . . . . . A 81 ASN N . 19282 1 1064 . 1 1 81 81 ASN ND2 N 15 112.208 0.040 . . . . . A 81 ASN ND2 . 19282 1 1065 . 1 1 82 82 GLY H H 1 8.621 0.002 . . . . . A 82 GLY H . 19282 1 1066 . 1 1 82 82 GLY HA2 H 1 4.506 0.006 . . . . . A 82 GLY HA2 . 19282 1 1067 . 1 1 82 82 GLY HA3 H 1 3.801 0.005 . . . . . A 82 GLY HA3 . 19282 1 1068 . 1 1 82 82 GLY C C 13 174.321 0.004 . . . . . A 82 GLY C . 19282 1 1069 . 1 1 82 82 GLY CA C 13 45.306 0.041 . . . . . A 82 GLY CA . 19282 1 1070 . 1 1 82 82 GLY N N 15 108.864 0.036 . . . . . A 82 GLY N . 19282 1 1071 . 1 1 83 83 SER H H 1 7.894 0.002 . . . . . A 83 SER H . 19282 1 1072 . 1 1 83 83 SER HA H 1 4.688 0.004 . . . . . A 83 SER HA . 19282 1 1073 . 1 1 83 83 SER HB2 H 1 4.194 0.006 . . . . . A 83 SER HB2 . 19282 1 1074 . 1 1 83 83 SER HB3 H 1 4.151 0.004 . . . . . A 83 SER HB3 . 19282 1 1075 . 1 1 83 83 SER C C 13 174.042 0.007 . . . . . A 83 SER C . 19282 1 1076 . 1 1 83 83 SER CA C 13 58.822 0.050 . . . . . A 83 SER CA . 19282 1 1077 . 1 1 83 83 SER CB C 13 64.512 0.085 . . . . . A 83 SER CB . 19282 1 1078 . 1 1 83 83 SER N N 15 116.447 0.073 . . . . . A 83 SER N . 19282 1 1079 . 1 1 84 84 THR H H 1 8.710 0.002 . . . . . A 84 THR H . 19282 1 1080 . 1 1 84 84 THR HA H 1 4.628 0.007 . . . . . A 84 THR HA . 19282 1 1081 . 1 1 84 84 THR HB H 1 4.322 0.008 . . . . . A 84 THR HB . 19282 1 1082 . 1 1 84 84 THR HG21 H 1 1.410 0.004 . . . . . A 84 THR HG21 . 19282 1 1083 . 1 1 84 84 THR HG22 H 1 1.410 0.004 . . . . . A 84 THR HG22 . 19282 1 1084 . 1 1 84 84 THR HG23 H 1 1.410 0.004 . . . . . A 84 THR HG23 . 19282 1 1085 . 1 1 84 84 THR C C 13 174.906 0.004 . . . . . A 84 THR C . 19282 1 1086 . 1 1 84 84 THR CA C 13 62.727 0.051 . . . . . A 84 THR CA . 19282 1 1087 . 1 1 84 84 THR CB C 13 70.047 0.114 . . . . . A 84 THR CB . 19282 1 1088 . 1 1 84 84 THR CG2 C 13 22.394 0.061 . . . . . A 84 THR CG2 . 19282 1 1089 . 1 1 84 84 THR N N 15 117.358 0.045 . . . . . A 84 THR N . 19282 1 1090 . 1 1 85 85 LEU H H 1 8.244 0.003 . . . . . A 85 LEU H . 19282 1 1091 . 1 1 85 85 LEU HA H 1 4.419 0.003 . . . . . A 85 LEU HA . 19282 1 1092 . 1 1 85 85 LEU HB2 H 1 1.915 0.004 . . . . . A 85 LEU HB2 . 19282 1 1093 . 1 1 85 85 LEU HB3 H 1 1.139 0.008 . . . . . A 85 LEU HB3 . 19282 1 1094 . 1 1 85 85 LEU HG H 1 1.512 0.006 . . . . . A 85 LEU HG . 19282 1 1095 . 1 1 85 85 LEU HD11 H 1 0.945 0.003 . . . . . A 85 LEU HD11 . 19282 1 1096 . 1 1 85 85 LEU HD12 H 1 0.945 0.003 . . . . . A 85 LEU HD12 . 19282 1 1097 . 1 1 85 85 LEU HD13 H 1 0.945 0.003 . . . . . A 85 LEU HD13 . 19282 1 1098 . 1 1 85 85 LEU HD21 H 1 0.688 0.003 . . . . . A 85 LEU HD21 . 19282 1 1099 . 1 1 85 85 LEU HD22 H 1 0.688 0.003 . . . . . A 85 LEU HD22 . 19282 1 1100 . 1 1 85 85 LEU HD23 H 1 0.688 0.003 . . . . . A 85 LEU HD23 . 19282 1 1101 . 1 1 85 85 LEU C C 13 175.973 0.000 . . . . . A 85 LEU C . 19282 1 1102 . 1 1 85 85 LEU CA C 13 56.168 0.060 . . . . . A 85 LEU CA . 19282 1 1103 . 1 1 85 85 LEU CB C 13 43.460 0.045 . . . . . A 85 LEU CB . 19282 1 1104 . 1 1 85 85 LEU CG C 13 27.123 0.084 . . . . . A 85 LEU CG . 19282 1 1105 . 1 1 85 85 LEU CD1 C 13 23.828 0.050 . . . . . A 85 LEU CD1 . 19282 1 1106 . 1 1 85 85 LEU CD2 C 13 26.206 0.065 . . . . . A 85 LEU CD2 . 19282 1 1107 . 1 1 85 85 LEU N N 15 125.457 0.102 . . . . . A 85 LEU N . 19282 1 1108 . 1 1 86 86 ASN H H 1 9.042 0.003 . . . . . A 86 ASN H . 19282 1 1109 . 1 1 86 86 ASN HA H 1 5.062 0.004 . . . . . A 86 ASN HA . 19282 1 1110 . 1 1 86 86 ASN HB2 H 1 3.195 0.002 . . . . . A 86 ASN HB2 . 19282 1 1111 . 1 1 86 86 ASN HB3 H 1 3.022 0.003 . . . . . A 86 ASN HB3 . 19282 1 1112 . 1 1 86 86 ASN HD21 H 1 7.744 0.001 . . . . . A 86 ASN HD21 . 19282 1 1113 . 1 1 86 86 ASN HD22 H 1 7.196 0.001 . . . . . A 86 ASN HD22 . 19282 1 1114 . 1 1 86 86 ASN C C 13 176.112 0.000 . . . . . A 86 ASN C . 19282 1 1115 . 1 1 86 86 ASN CA C 13 52.243 0.035 . . . . . A 86 ASN CA . 19282 1 1116 . 1 1 86 86 ASN CB C 13 38.631 0.062 . . . . . A 86 ASN CB . 19282 1 1117 . 1 1 86 86 ASN N N 15 126.729 0.058 . . . . . A 86 ASN N . 19282 1 1118 . 1 1 86 86 ASN ND2 N 15 111.772 0.065 . . . . . A 86 ASN ND2 . 19282 1 1119 . 1 1 87 87 SER H H 1 8.724 0.002 . . . . . A 87 SER H . 19282 1 1120 . 1 1 87 87 SER HA H 1 4.606 0.004 . . . . . A 87 SER HA . 19282 1 1121 . 1 1 87 87 SER HB2 H 1 4.110 0.003 . . . . . A 87 SER HB2 . 19282 1 1122 . 1 1 87 87 SER HB3 H 1 3.945 0.005 . . . . . A 87 SER HB3 . 19282 1 1123 . 1 1 87 87 SER C C 13 174.673 0.001 . . . . . A 87 SER C . 19282 1 1124 . 1 1 87 87 SER CA C 13 59.908 0.046 . . . . . A 87 SER CA . 19282 1 1125 . 1 1 87 87 SER CB C 13 63.602 0.036 . . . . . A 87 SER CB . 19282 1 1126 . 1 1 87 87 SER N N 15 120.386 0.050 . . . . . A 87 SER N . 19282 1 1127 . 1 1 88 88 ASP H H 1 8.464 0.002 . . . . . A 88 ASP H . 19282 1 1128 . 1 1 88 88 ASP HA H 1 4.577 0.004 . . . . . A 88 ASP HA . 19282 1 1129 . 1 1 88 88 ASP HB2 H 1 2.761 0.006 . . . . . A 88 ASP HB2 . 19282 1 1130 . 1 1 88 88 ASP HB3 H 1 2.761 0.006 . . . . . A 88 ASP HB3 . 19282 1 1131 . 1 1 88 88 ASP C C 13 177.211 0.001 . . . . . A 88 ASP C . 19282 1 1132 . 1 1 88 88 ASP CA C 13 55.987 0.013 . . . . . A 88 ASP CA . 19282 1 1133 . 1 1 88 88 ASP CB C 13 40.640 0.064 . . . . . A 88 ASP CB . 19282 1 1134 . 1 1 88 88 ASP N N 15 120.189 0.037 . . . . . A 88 ASP N . 19282 1 1135 . 1 1 89 89 VAL H H 1 7.783 0.002 . . . . . A 89 VAL H . 19282 1 1136 . 1 1 89 89 VAL HA H 1 3.987 0.002 . . . . . A 89 VAL HA . 19282 1 1137 . 1 1 89 89 VAL HB H 1 2.203 0.002 . . . . . A 89 VAL HB . 19282 1 1138 . 1 1 89 89 VAL HG11 H 1 1.031 0.006 . . . . . A 89 VAL HG11 . 19282 1 1139 . 1 1 89 89 VAL HG12 H 1 1.031 0.006 . . . . . A 89 VAL HG12 . 19282 1 1140 . 1 1 89 89 VAL HG13 H 1 1.031 0.006 . . . . . A 89 VAL HG13 . 19282 1 1141 . 1 1 89 89 VAL HG21 H 1 0.927 0.006 . . . . . A 89 VAL HG21 . 19282 1 1142 . 1 1 89 89 VAL HG22 H 1 0.927 0.006 . . . . . A 89 VAL HG22 . 19282 1 1143 . 1 1 89 89 VAL HG23 H 1 0.927 0.006 . . . . . A 89 VAL HG23 . 19282 1 1144 . 1 1 89 89 VAL C C 13 175.071 0.002 . . . . . A 89 VAL C . 19282 1 1145 . 1 1 89 89 VAL CA C 13 64.434 0.040 . . . . . A 89 VAL CA . 19282 1 1146 . 1 1 89 89 VAL CB C 13 32.963 0.036 . . . . . A 89 VAL CB . 19282 1 1147 . 1 1 89 89 VAL CG1 C 13 21.573 0.108 . . . . . A 89 VAL CG1 . 19282 1 1148 . 1 1 89 89 VAL CG2 C 13 21.112 0.044 . . . . . A 89 VAL CG2 . 19282 1 1149 . 1 1 89 89 VAL N N 15 118.259 0.028 . . . . . A 89 VAL N . 19282 1 1150 . 1 1 90 90 LEU H H 1 7.537 0.005 . . . . . A 90 LEU H . 19282 1 1151 . 1 1 90 90 LEU HA H 1 4.480 0.003 . . . . . A 90 LEU HA . 19282 1 1152 . 1 1 90 90 LEU HB2 H 1 1.587 0.002 . . . . . A 90 LEU HB2 . 19282 1 1153 . 1 1 90 90 LEU HB3 H 1 1.473 0.002 . . . . . A 90 LEU HB3 . 19282 1 1154 . 1 1 90 90 LEU HG H 1 1.536 0.007 . . . . . A 90 LEU HG . 19282 1 1155 . 1 1 90 90 LEU HD11 H 1 0.811 0.003 . . . . . A 90 LEU HD11 . 19282 1 1156 . 1 1 90 90 LEU HD12 H 1 0.811 0.003 . . . . . A 90 LEU HD12 . 19282 1 1157 . 1 1 90 90 LEU HD13 H 1 0.811 0.003 . . . . . A 90 LEU HD13 . 19282 1 1158 . 1 1 90 90 LEU HD21 H 1 0.811 0.003 . . . . . A 90 LEU HD21 . 19282 1 1159 . 1 1 90 90 LEU HD22 H 1 0.811 0.003 . . . . . A 90 LEU HD22 . 19282 1 1160 . 1 1 90 90 LEU HD23 H 1 0.811 0.003 . . . . . A 90 LEU HD23 . 19282 1 1161 . 1 1 90 90 LEU C C 13 173.881 0.002 . . . . . A 90 LEU C . 19282 1 1162 . 1 1 90 90 LEU CA C 13 54.366 0.038 . . . . . A 90 LEU CA . 19282 1 1163 . 1 1 90 90 LEU CB C 13 44.266 0.027 . . . . . A 90 LEU CB . 19282 1 1164 . 1 1 90 90 LEU CG C 13 26.759 0.048 . . . . . A 90 LEU CG . 19282 1 1165 . 1 1 90 90 LEU CD1 C 13 25.260 0.031 . . . . . A 90 LEU CD1 . 19282 1 1166 . 1 1 90 90 LEU CD2 C 13 25.260 0.031 . . . . . A 90 LEU CD2 . 19282 1 1167 . 1 1 90 90 LEU N N 15 118.198 0.131 . . . . . A 90 LEU N . 19282 1 1168 . 1 1 91 91 LYS H H 1 8.121 0.004 . . . . . A 91 LYS H . 19282 1 1169 . 1 1 91 91 LYS HA H 1 4.433 0.005 . . . . . A 91 LYS HA . 19282 1 1170 . 1 1 91 91 LYS HB2 H 1 1.764 0.001 . . . . . A 91 LYS HB2 . 19282 1 1171 . 1 1 91 91 LYS HB3 H 1 1.764 0.001 . . . . . A 91 LYS HB3 . 19282 1 1172 . 1 1 91 91 LYS HG2 H 1 1.440 0.007 . . . . . A 91 LYS HG2 . 19282 1 1173 . 1 1 91 91 LYS HG3 H 1 1.376 0.006 . . . . . A 91 LYS HG3 . 19282 1 1174 . 1 1 91 91 LYS HD2 H 1 1.695 0.000 . . . . . A 91 LYS HD2 . 19282 1 1175 . 1 1 91 91 LYS HD3 H 1 1.695 0.000 . . . . . A 91 LYS HD3 . 19282 1 1176 . 1 1 91 91 LYS HE2 H 1 3.018 0.002 . . . . . A 91 LYS HE2 . 19282 1 1177 . 1 1 91 91 LYS HE3 H 1 3.018 0.002 . . . . . A 91 LYS HE3 . 19282 1 1178 . 1 1 91 91 LYS C C 13 175.565 0.003 . . . . . A 91 LYS C . 19282 1 1179 . 1 1 91 91 LYS CA C 13 55.175 0.045 . . . . . A 91 LYS CA . 19282 1 1180 . 1 1 91 91 LYS CB C 13 33.177 0.030 . . . . . A 91 LYS CB . 19282 1 1181 . 1 1 91 91 LYS CG C 13 24.809 0.036 . . . . . A 91 LYS CG . 19282 1 1182 . 1 1 91 91 LYS CD C 13 28.974 0.080 . . . . . A 91 LYS CD . 19282 1 1183 . 1 1 91 91 LYS CE C 13 42.410 0.003 . . . . . A 91 LYS CE . 19282 1 1184 . 1 1 91 91 LYS N N 15 122.032 0.093 . . . . . A 91 LYS N . 19282 1 1185 . 1 1 92 92 ILE H H 1 8.086 0.002 . . . . . A 92 ILE H . 19282 1 1186 . 1 1 92 92 ILE HA H 1 4.267 0.003 . . . . . A 92 ILE HA . 19282 1 1187 . 1 1 92 92 ILE HB H 1 1.412 0.005 . . . . . A 92 ILE HB . 19282 1 1188 . 1 1 92 92 ILE HG12 H 1 0.843 0.004 . . . . . A 92 ILE HG12 . 19282 1 1189 . 1 1 92 92 ILE HG13 H 1 0.664 0.006 . . . . . A 92 ILE HG13 . 19282 1 1190 . 1 1 92 92 ILE HG21 H 1 0.502 0.005 . . . . . A 92 ILE HG21 . 19282 1 1191 . 1 1 92 92 ILE HG22 H 1 0.502 0.005 . . . . . A 92 ILE HG22 . 19282 1 1192 . 1 1 92 92 ILE HG23 H 1 0.502 0.005 . . . . . A 92 ILE HG23 . 19282 1 1193 . 1 1 92 92 ILE HD11 H 1 -0.174 0.007 . . . . . A 92 ILE HD11 . 19282 1 1194 . 1 1 92 92 ILE HD12 H 1 -0.174 0.007 . . . . . A 92 ILE HD12 . 19282 1 1195 . 1 1 92 92 ILE HD13 H 1 -0.174 0.007 . . . . . A 92 ILE HD13 . 19282 1 1196 . 1 1 92 92 ILE C C 13 176.136 0.005 . . . . . A 92 ILE C . 19282 1 1197 . 1 1 92 92 ILE CA C 13 60.198 0.037 . . . . . A 92 ILE CA . 19282 1 1198 . 1 1 92 92 ILE CB C 13 39.028 0.034 . . . . . A 92 ILE CB . 19282 1 1199 . 1 1 92 92 ILE CG1 C 13 26.523 0.047 . . . . . A 92 ILE CG1 . 19282 1 1200 . 1 1 92 92 ILE CG2 C 13 17.331 0.036 . . . . . A 92 ILE CG2 . 19282 1 1201 . 1 1 92 92 ILE CD1 C 13 11.919 0.070 . . . . . A 92 ILE CD1 . 19282 1 1202 . 1 1 92 92 ILE N N 15 123.168 0.036 . . . . . A 92 ILE N . 19282 1 1203 . 1 1 93 93 THR H H 1 8.238 0.004 . . . . . A 93 THR H . 19282 1 1204 . 1 1 93 93 THR HA H 1 4.487 0.003 . . . . . A 93 THR HA . 19282 1 1205 . 1 1 93 93 THR HB H 1 4.171 0.007 . . . . . A 93 THR HB . 19282 1 1206 . 1 1 93 93 THR HG21 H 1 1.178 0.006 . . . . . A 93 THR HG21 . 19282 1 1207 . 1 1 93 93 THR HG22 H 1 1.178 0.006 . . . . . A 93 THR HG22 . 19282 1 1208 . 1 1 93 93 THR HG23 H 1 1.178 0.006 . . . . . A 93 THR HG23 . 19282 1 1209 . 1 1 93 93 THR C C 13 173.748 0.002 . . . . . A 93 THR C . 19282 1 1210 . 1 1 93 93 THR CA C 13 61.605 0.062 . . . . . A 93 THR CA . 19282 1 1211 . 1 1 93 93 THR CB C 13 70.404 0.058 . . . . . A 93 THR CB . 19282 1 1212 . 1 1 93 93 THR CG2 C 13 21.360 0.103 . . . . . A 93 THR CG2 . 19282 1 1213 . 1 1 93 93 THR N N 15 119.647 0.039 . . . . . A 93 THR N . 19282 1 1214 . 1 1 94 94 GLY H H 1 8.133 0.002 . . . . . A 94 GLY H . 19282 1 1215 . 1 1 94 94 GLY HA2 H 1 3.957 0.005 . . . . . A 94 GLY HA2 . 19282 1 1216 . 1 1 94 94 GLY HA3 H 1 3.860 0.006 . . . . . A 94 GLY HA3 . 19282 1 1217 . 1 1 94 94 GLY C C 13 172.757 0.002 . . . . . A 94 GLY C . 19282 1 1218 . 1 1 94 94 GLY CA C 13 44.714 0.042 . . . . . A 94 GLY CA . 19282 1 1219 . 1 1 94 94 GLY N N 15 111.397 0.034 . . . . . A 94 GLY N . 19282 1 1220 . 1 1 95 95 ASP H H 1 8.285 0.002 . . . . . A 95 ASP H . 19282 1 1221 . 1 1 95 95 ASP HA H 1 4.743 0.009 . . . . . A 95 ASP HA . 19282 1 1222 . 1 1 95 95 ASP HB2 H 1 2.666 0.005 . . . . . A 95 ASP HB2 . 19282 1 1223 . 1 1 95 95 ASP HB3 H 1 2.574 0.006 . . . . . A 95 ASP HB3 . 19282 1 1224 . 1 1 95 95 ASP C C 13 175.600 0.002 . . . . . A 95 ASP C . 19282 1 1225 . 1 1 95 95 ASP CA C 13 54.183 0.019 . . . . . A 95 ASP CA . 19282 1 1226 . 1 1 95 95 ASP CB C 13 41.877 0.062 . . . . . A 95 ASP CB . 19282 1 1227 . 1 1 95 95 ASP N N 15 119.905 0.038 . . . . . A 95 ASP N . 19282 1 1228 . 1 1 96 96 THR H H 1 7.936 0.003 . . . . . A 96 THR H . 19282 1 1229 . 1 1 96 96 THR HA H 1 4.136 0.004 . . . . . A 96 THR HA . 19282 1 1230 . 1 1 96 96 THR HB H 1 3.567 0.008 . . . . . A 96 THR HB . 19282 1 1231 . 1 1 96 96 THR HG21 H 1 0.503 0.005 . . . . . A 96 THR HG21 . 19282 1 1232 . 1 1 96 96 THR HG22 H 1 0.503 0.005 . . . . . A 96 THR HG22 . 19282 1 1233 . 1 1 96 96 THR HG23 H 1 0.503 0.005 . . . . . A 96 THR HG23 . 19282 1 1234 . 1 1 96 96 THR C C 13 173.508 0.002 . . . . . A 96 THR C . 19282 1 1235 . 1 1 96 96 THR CA C 13 61.369 0.069 . . . . . A 96 THR CA . 19282 1 1236 . 1 1 96 96 THR CB C 13 69.775 0.070 . . . . . A 96 THR CB . 19282 1 1237 . 1 1 96 96 THR CG2 C 13 20.639 0.079 . . . . . A 96 THR CG2 . 19282 1 1238 . 1 1 96 96 THR N N 15 115.409 0.070 . . . . . A 96 THR N . 19282 1 1239 . 1 1 97 97 GLU H H 1 8.186 0.005 . . . . . A 97 GLU H . 19282 1 1240 . 1 1 97 97 GLU HA H 1 4.224 0.004 . . . . . A 97 GLU HA . 19282 1 1241 . 1 1 97 97 GLU HB2 H 1 1.846 0.006 . . . . . A 97 GLU HB2 . 19282 1 1242 . 1 1 97 97 GLU HB3 H 1 1.737 0.002 . . . . . A 97 GLU HB3 . 19282 1 1243 . 1 1 97 97 GLU HG2 H 1 2.189 0.005 . . . . . A 97 GLU HG2 . 19282 1 1244 . 1 1 97 97 GLU HG3 H 1 2.130 0.003 . . . . . A 97 GLU HG3 . 19282 1 1245 . 1 1 97 97 GLU C C 13 175.455 0.004 . . . . . A 97 GLU C . 19282 1 1246 . 1 1 97 97 GLU CA C 13 56.162 0.089 . . . . . A 97 GLU CA . 19282 1 1247 . 1 1 97 97 GLU CB C 13 30.688 0.110 . . . . . A 97 GLU CB . 19282 1 1248 . 1 1 97 97 GLU CG C 13 36.422 0.017 . . . . . A 97 GLU CG . 19282 1 1249 . 1 1 97 97 GLU N N 15 123.162 0.032 . . . . . A 97 GLU N . 19282 1 1250 . 1 1 98 98 ASN H H 1 7.997 0.002 . . . . . A 98 ASN H . 19282 1 1251 . 1 1 98 98 ASN HA H 1 4.521 0.006 . . . . . A 98 ASN HA . 19282 1 1252 . 1 1 98 98 ASN HB2 H 1 2.698 0.008 . . . . . A 98 ASN HB2 . 19282 1 1253 . 1 1 98 98 ASN HB3 H 1 2.616 0.006 . . . . . A 98 ASN HB3 . 19282 1 1254 . 1 1 98 98 ASN HD21 H 1 7.578 0.004 . . . . . A 98 ASN HD21 . 19282 1 1255 . 1 1 98 98 ASN HD22 H 1 6.905 0.003 . . . . . A 98 ASN HD22 . 19282 1 1256 . 1 1 98 98 ASN C C 13 174.251 0.002 . . . . . A 98 ASN C . 19282 1 1257 . 1 1 98 98 ASN CA C 13 53.449 0.043 . . . . . A 98 ASN CA . 19282 1 1258 . 1 1 98 98 ASN CB C 13 40.229 0.060 . . . . . A 98 ASN CB . 19282 1 1259 . 1 1 98 98 ASN N N 15 117.342 0.044 . . . . . A 98 ASN N . 19282 1 1260 . 1 1 98 98 ASN ND2 N 15 112.961 0.067 . . . . . A 98 ASN ND2 . 19282 1 1261 . 1 1 99 99 ASP H H 1 8.365 0.003 . . . . . A 99 ASP H . 19282 1 1262 . 1 1 99 99 ASP HA H 1 4.593 0.012 . . . . . A 99 ASP HA . 19282 1 1263 . 1 1 99 99 ASP HB2 H 1 2.712 0.011 . . . . . A 99 ASP HB2 . 19282 1 1264 . 1 1 99 99 ASP HB3 H 1 2.562 0.005 . . . . . A 99 ASP HB3 . 19282 1 1265 . 1 1 99 99 ASP C C 13 176.261 0.002 . . . . . A 99 ASP C . 19282 1 1266 . 1 1 99 99 ASP CA C 13 55.138 0.060 . . . . . A 99 ASP CA . 19282 1 1267 . 1 1 99 99 ASP CB C 13 40.395 0.046 . . . . . A 99 ASP CB . 19282 1 1268 . 1 1 99 99 ASP N N 15 120.235 0.018 . . . . . A 99 ASP N . 19282 1 1269 . 1 1 100 100 SER H H 1 7.862 0.004 . . . . . A 100 SER H . 19282 1 1270 . 1 1 100 100 SER HA H 1 4.990 0.015 . . . . . A 100 SER HA . 19282 1 1271 . 1 1 100 100 SER HB2 H 1 3.820 0.005 . . . . . A 100 SER HB2 . 19282 1 1272 . 1 1 100 100 SER HB3 H 1 3.594 0.005 . . . . . A 100 SER HB3 . 19282 1 1273 . 1 1 100 100 SER C C 13 172.411 0.003 . . . . . A 100 SER C . 19282 1 1274 . 1 1 100 100 SER CA C 13 59.212 0.055 . . . . . A 100 SER CA . 19282 1 1275 . 1 1 100 100 SER CB C 13 66.127 0.049 . . . . . A 100 SER CB . 19282 1 1276 . 1 1 100 100 SER N N 15 116.248 0.044 . . . . . A 100 SER N . 19282 1 1277 . 1 1 101 101 CYS H H 1 9.231 0.005 . . . . . A 101 CYS H . 19282 1 1278 . 1 1 101 101 CYS HA H 1 5.056 0.007 . . . . . A 101 CYS HA . 19282 1 1279 . 1 1 101 101 CYS HB2 H 1 2.826 0.007 . . . . . A 101 CYS HB2 . 19282 1 1280 . 1 1 101 101 CYS HB3 H 1 2.275 0.004 . . . . . A 101 CYS HB3 . 19282 1 1281 . 1 1 101 101 CYS C C 13 172.356 0.009 . . . . . A 101 CYS C . 19282 1 1282 . 1 1 101 101 CYS CA C 13 59.446 0.054 . . . . . A 101 CYS CA . 19282 1 1283 . 1 1 101 101 CYS CB C 13 45.631 0.031 . . . . . A 101 CYS CB . 19282 1 1284 . 1 1 101 101 CYS N N 15 121.559 0.038 . . . . . A 101 CYS N . 19282 1 1285 . 1 1 102 102 ALA H H 1 8.393 0.004 . . . . . A 102 ALA H . 19282 1 1286 . 1 1 102 102 ALA HA H 1 5.380 0.005 . . . . . A 102 ALA HA . 19282 1 1287 . 1 1 102 102 ALA HB1 H 1 1.259 0.006 . . . . . A 102 ALA HB1 . 19282 1 1288 . 1 1 102 102 ALA HB2 H 1 1.259 0.006 . . . . . A 102 ALA HB2 . 19282 1 1289 . 1 1 102 102 ALA HB3 H 1 1.259 0.006 . . . . . A 102 ALA HB3 . 19282 1 1290 . 1 1 102 102 ALA C C 13 175.442 0.001 . . . . . A 102 ALA C . 19282 1 1291 . 1 1 102 102 ALA CA C 13 51.627 0.061 . . . . . A 102 ALA CA . 19282 1 1292 . 1 1 102 102 ALA CB C 13 21.971 0.068 . . . . . A 102 ALA CB . 19282 1 1293 . 1 1 102 102 ALA N N 15 124.390 0.069 . . . . . A 102 ALA N . 19282 1 1294 . 1 1 103 103 ALA H H 1 8.859 0.002 . . . . . A 103 ALA H . 19282 1 1295 . 1 1 103 103 ALA HA H 1 5.491 0.004 . . . . . A 103 ALA HA . 19282 1 1296 . 1 1 103 103 ALA HB1 H 1 1.022 0.006 . . . . . A 103 ALA HB1 . 19282 1 1297 . 1 1 103 103 ALA HB2 H 1 1.022 0.006 . . . . . A 103 ALA HB2 . 19282 1 1298 . 1 1 103 103 ALA HB3 H 1 1.022 0.006 . . . . . A 103 ALA HB3 . 19282 1 1299 . 1 1 103 103 ALA C C 13 176.664 0.004 . . . . . A 103 ALA C . 19282 1 1300 . 1 1 103 103 ALA CA C 13 50.383 0.063 . . . . . A 103 ALA CA . 19282 1 1301 . 1 1 103 103 ALA CB C 13 23.012 0.032 . . . . . A 103 ALA CB . 19282 1 1302 . 1 1 103 103 ALA N N 15 120.824 0.017 . . . . . A 103 ALA N . 19282 1 1303 . 1 1 104 104 ILE H H 1 9.301 0.004 . . . . . A 104 ILE H . 19282 1 1304 . 1 1 104 104 ILE HA H 1 4.618 0.009 . . . . . A 104 ILE HA . 19282 1 1305 . 1 1 104 104 ILE HB H 1 1.761 0.004 . . . . . A 104 ILE HB . 19282 1 1306 . 1 1 104 104 ILE HG12 H 1 1.767 0.006 . . . . . A 104 ILE HG12 . 19282 1 1307 . 1 1 104 104 ILE HG13 H 1 1.045 0.005 . . . . . A 104 ILE HG13 . 19282 1 1308 . 1 1 104 104 ILE HG21 H 1 0.891 0.004 . . . . . A 104 ILE HG21 . 19282 1 1309 . 1 1 104 104 ILE HG22 H 1 0.891 0.004 . . . . . A 104 ILE HG22 . 19282 1 1310 . 1 1 104 104 ILE HG23 H 1 0.891 0.004 . . . . . A 104 ILE HG23 . 19282 1 1311 . 1 1 104 104 ILE HD11 H 1 0.707 0.005 . . . . . A 104 ILE HD11 . 19282 1 1312 . 1 1 104 104 ILE HD12 H 1 0.707 0.005 . . . . . A 104 ILE HD12 . 19282 1 1313 . 1 1 104 104 ILE HD13 H 1 0.707 0.005 . . . . . A 104 ILE HD13 . 19282 1 1314 . 1 1 104 104 ILE C C 13 175.968 0.003 . . . . . A 104 ILE C . 19282 1 1315 . 1 1 104 104 ILE CA C 13 61.121 0.062 . . . . . A 104 ILE CA . 19282 1 1316 . 1 1 104 104 ILE CB C 13 40.293 0.074 . . . . . A 104 ILE CB . 19282 1 1317 . 1 1 104 104 ILE CG1 C 13 28.086 0.043 . . . . . A 104 ILE CG1 . 19282 1 1318 . 1 1 104 104 ILE CG2 C 13 17.920 0.059 . . . . . A 104 ILE CG2 . 19282 1 1319 . 1 1 104 104 ILE CD1 C 13 14.050 0.064 . . . . . A 104 ILE CD1 . 19282 1 1320 . 1 1 104 104 ILE N N 15 119.488 0.021 . . . . . A 104 ILE N . 19282 1 1321 . 1 1 105 105 SER H H 1 8.747 0.003 . . . . . A 105 SER H . 19282 1 1322 . 1 1 105 105 SER HA H 1 4.793 0.003 . . . . . A 105 SER HA . 19282 1 1323 . 1 1 105 105 SER HB2 H 1 3.654 0.005 . . . . . A 105 SER HB2 . 19282 1 1324 . 1 1 105 105 SER HB3 H 1 3.597 0.004 . . . . . A 105 SER HB3 . 19282 1 1325 . 1 1 105 105 SER C C 13 175.288 0.004 . . . . . A 105 SER C . 19282 1 1326 . 1 1 105 105 SER CA C 13 56.729 0.044 . . . . . A 105 SER CA . 19282 1 1327 . 1 1 105 105 SER CB C 13 64.136 0.055 . . . . . A 105 SER CB . 19282 1 1328 . 1 1 105 105 SER N N 15 121.988 0.035 . . . . . A 105 SER N . 19282 1 1329 . 1 1 106 106 GLY H H 1 9.283 0.004 . . . . . A 106 GLY H . 19282 1 1330 . 1 1 106 106 GLY HA2 H 1 4.028 0.005 . . . . . A 106 GLY HA2 . 19282 1 1331 . 1 1 106 106 GLY HA3 H 1 3.586 0.004 . . . . . A 106 GLY HA3 . 19282 1 1332 . 1 1 106 106 GLY C C 13 173.274 0.001 . . . . . A 106 GLY C . 19282 1 1333 . 1 1 106 106 GLY CA C 13 47.861 0.032 . . . . . A 106 GLY CA . 19282 1 1334 . 1 1 106 106 GLY N N 15 117.934 0.034 . . . . . A 106 GLY N . 19282 1 1335 . 1 1 107 107 ASP H H 1 8.420 0.003 . . . . . A 107 ASP H . 19282 1 1336 . 1 1 107 107 ASP HA H 1 4.633 0.007 . . . . . A 107 ASP HA . 19282 1 1337 . 1 1 107 107 ASP HB2 H 1 2.845 0.006 . . . . . A 107 ASP HB2 . 19282 1 1338 . 1 1 107 107 ASP HB3 H 1 2.637 0.004 . . . . . A 107 ASP HB3 . 19282 1 1339 . 1 1 107 107 ASP C C 13 174.997 0.004 . . . . . A 107 ASP C . 19282 1 1340 . 1 1 107 107 ASP CA C 13 53.502 0.033 . . . . . A 107 ASP CA . 19282 1 1341 . 1 1 107 107 ASP CB C 13 40.928 0.029 . . . . . A 107 ASP CB . 19282 1 1342 . 1 1 107 107 ASP N N 15 122.936 0.029 . . . . . A 107 ASP N . 19282 1 1343 . 1 1 108 108 LYS H H 1 7.764 0.002 . . . . . A 108 LYS H . 19282 1 1344 . 1 1 108 108 LYS HA H 1 4.724 0.009 . . . . . A 108 LYS HA . 19282 1 1345 . 1 1 108 108 LYS HB2 H 1 1.848 0.002 . . . . . A 108 LYS HB2 . 19282 1 1346 . 1 1 108 108 LYS HB3 H 1 1.848 0.002 . . . . . A 108 LYS HB3 . 19282 1 1347 . 1 1 108 108 LYS HG2 H 1 1.525 0.004 . . . . . A 108 LYS HG2 . 19282 1 1348 . 1 1 108 108 LYS HG3 H 1 1.309 0.005 . . . . . A 108 LYS HG3 . 19282 1 1349 . 1 1 108 108 LYS HD2 H 1 1.669 0.006 . . . . . A 108 LYS HD2 . 19282 1 1350 . 1 1 108 108 LYS HD3 H 1 1.669 0.006 . . . . . A 108 LYS HD3 . 19282 1 1351 . 1 1 108 108 LYS HE2 H 1 2.993 0.005 . . . . . A 108 LYS HE2 . 19282 1 1352 . 1 1 108 108 LYS HE3 H 1 2.993 0.005 . . . . . A 108 LYS HE3 . 19282 1 1353 . 1 1 108 108 LYS C C 13 173.949 0.003 . . . . . A 108 LYS C . 19282 1 1354 . 1 1 108 108 LYS CA C 13 54.743 0.031 . . . . . A 108 LYS CA . 19282 1 1355 . 1 1 108 108 LYS CB C 13 35.423 0.042 . . . . . A 108 LYS CB . 19282 1 1356 . 1 1 108 108 LYS CG C 13 23.345 0.069 . . . . . A 108 LYS CG . 19282 1 1357 . 1 1 108 108 LYS CD C 13 29.150 0.087 . . . . . A 108 LYS CD . 19282 1 1358 . 1 1 108 108 LYS CE C 13 42.200 0.045 . . . . . A 108 LYS CE . 19282 1 1359 . 1 1 108 108 LYS N N 15 116.770 0.047 . . . . . A 108 LYS N . 19282 1 1360 . 1 1 109 109 VAL H H 1 8.315 0.002 . . . . . A 109 VAL H . 19282 1 1361 . 1 1 109 109 VAL HA H 1 4.731 0.002 . . . . . A 109 VAL HA . 19282 1 1362 . 1 1 109 109 VAL HB H 1 1.928 0.006 . . . . . A 109 VAL HB . 19282 1 1363 . 1 1 109 109 VAL HG11 H 1 0.880 0.004 . . . . . A 109 VAL HG11 . 19282 1 1364 . 1 1 109 109 VAL HG12 H 1 0.880 0.004 . . . . . A 109 VAL HG12 . 19282 1 1365 . 1 1 109 109 VAL HG13 H 1 0.880 0.004 . . . . . A 109 VAL HG13 . 19282 1 1366 . 1 1 109 109 VAL HG21 H 1 0.743 0.008 . . . . . A 109 VAL HG21 . 19282 1 1367 . 1 1 109 109 VAL HG22 H 1 0.743 0.008 . . . . . A 109 VAL HG22 . 19282 1 1368 . 1 1 109 109 VAL HG23 H 1 0.743 0.008 . . . . . A 109 VAL HG23 . 19282 1 1369 . 1 1 109 109 VAL C C 13 175.297 0.003 . . . . . A 109 VAL C . 19282 1 1370 . 1 1 109 109 VAL CA C 13 62.009 0.047 . . . . . A 109 VAL CA . 19282 1 1371 . 1 1 109 109 VAL CB C 13 31.996 0.069 . . . . . A 109 VAL CB . 19282 1 1372 . 1 1 109 109 VAL CG1 C 13 22.091 0.041 . . . . . A 109 VAL CG1 . 19282 1 1373 . 1 1 109 109 VAL CG2 C 13 22.339 0.013 . . . . . A 109 VAL CG2 . 19282 1 1374 . 1 1 109 109 VAL N N 15 120.190 0.021 . . . . . A 109 VAL N . 19282 1 1375 . 1 1 110 110 THR H H 1 9.253 0.004 . . . . . A 110 THR H . 19282 1 1376 . 1 1 110 110 THR HA H 1 4.765 0.004 . . . . . A 110 THR HA . 19282 1 1377 . 1 1 110 110 THR HB H 1 4.069 0.001 . . . . . A 110 THR HB . 19282 1 1378 . 1 1 110 110 THR HG21 H 1 1.091 0.004 . . . . . A 110 THR HG21 . 19282 1 1379 . 1 1 110 110 THR HG22 H 1 1.091 0.004 . . . . . A 110 THR HG22 . 19282 1 1380 . 1 1 110 110 THR HG23 H 1 1.091 0.004 . . . . . A 110 THR HG23 . 19282 1 1381 . 1 1 110 110 THR C C 13 172.026 0.002 . . . . . A 110 THR C . 19282 1 1382 . 1 1 110 110 THR CA C 13 59.150 0.038 . . . . . A 110 THR CA . 19282 1 1383 . 1 1 110 110 THR CB C 13 71.063 0.032 . . . . . A 110 THR CB . 19282 1 1384 . 1 1 110 110 THR CG2 C 13 20.896 0.101 . . . . . A 110 THR CG2 . 19282 1 1385 . 1 1 110 110 THR N N 15 121.358 0.039 . . . . . A 110 THR N . 19282 1 1386 . 1 1 111 111 PHE H H 1 7.934 0.002 . . . . . A 111 PHE H . 19282 1 1387 . 1 1 111 111 PHE HA H 1 5.603 0.004 . . . . . A 111 PHE HA . 19282 1 1388 . 1 1 111 111 PHE HB2 H 1 3.065 0.008 . . . . . A 111 PHE HB2 . 19282 1 1389 . 1 1 111 111 PHE HB3 H 1 3.020 0.004 . . . . . A 111 PHE HB3 . 19282 1 1390 . 1 1 111 111 PHE HD1 H 1 6.899 0.005 . . . . . A 111 PHE HD1 . 19282 1 1391 . 1 1 111 111 PHE HD2 H 1 6.899 0.005 . . . . . A 111 PHE HD2 . 19282 1 1392 . 1 1 111 111 PHE HE1 H 1 6.950 0.003 . . . . . A 111 PHE HE1 . 19282 1 1393 . 1 1 111 111 PHE HE2 H 1 6.950 0.003 . . . . . A 111 PHE HE2 . 19282 1 1394 . 1 1 111 111 PHE HZ H 1 6.854 0.004 . . . . . A 111 PHE HZ . 19282 1 1395 . 1 1 111 111 PHE C C 13 174.645 0.002 . . . . . A 111 PHE C . 19282 1 1396 . 1 1 111 111 PHE CA C 13 55.962 0.034 . . . . . A 111 PHE CA . 19282 1 1397 . 1 1 111 111 PHE CB C 13 41.976 0.040 . . . . . A 111 PHE CB . 19282 1 1398 . 1 1 111 111 PHE CD1 C 13 132.375 0.108 . . . . . A 111 PHE CD1 . 19282 1 1399 . 1 1 111 111 PHE CD2 C 13 132.375 0.108 . . . . . A 111 PHE CD2 . 19282 1 1400 . 1 1 111 111 PHE CE1 C 13 130.831 0.066 . . . . . A 111 PHE CE1 . 19282 1 1401 . 1 1 111 111 PHE CE2 C 13 130.831 0.066 . . . . . A 111 PHE CE2 . 19282 1 1402 . 1 1 111 111 PHE CZ C 13 129.385 0.046 . . . . . A 111 PHE CZ . 19282 1 1403 . 1 1 111 111 PHE N N 15 116.390 0.053 . . . . . A 111 PHE N . 19282 1 1404 . 1 1 112 112 GLU H H 1 9.266 0.004 . . . . . A 112 GLU H . 19282 1 1405 . 1 1 112 112 GLU HA H 1 4.920 0.004 . . . . . A 112 GLU HA . 19282 1 1406 . 1 1 112 112 GLU HB2 H 1 2.372 0.009 . . . . . A 112 GLU HB2 . 19282 1 1407 . 1 1 112 112 GLU HB3 H 1 2.090 0.006 . . . . . A 112 GLU HB3 . 19282 1 1408 . 1 1 112 112 GLU HG2 H 1 2.320 0.009 . . . . . A 112 GLU HG2 . 19282 1 1409 . 1 1 112 112 GLU HG3 H 1 2.245 0.006 . . . . . A 112 GLU HG3 . 19282 1 1410 . 1 1 112 112 GLU C C 13 175.303 0.002 . . . . . A 112 GLU C . 19282 1 1411 . 1 1 112 112 GLU CA C 13 54.687 0.039 . . . . . A 112 GLU CA . 19282 1 1412 . 1 1 112 112 GLU CB C 13 34.154 0.107 . . . . . A 112 GLU CB . 19282 1 1413 . 1 1 112 112 GLU CG C 13 35.289 0.034 . . . . . A 112 GLU CG . 19282 1 1414 . 1 1 112 112 GLU N N 15 119.577 0.041 . . . . . A 112 GLU N . 19282 1 1415 . 1 1 113 113 SER H H 1 8.880 0.002 . . . . . A 113 SER H . 19282 1 1416 . 1 1 113 113 SER HA H 1 4.706 0.007 . . . . . A 113 SER HA . 19282 1 1417 . 1 1 113 113 SER HB2 H 1 4.211 0.004 . . . . . A 113 SER HB2 . 19282 1 1418 . 1 1 113 113 SER HB3 H 1 4.044 0.003 . . . . . A 113 SER HB3 . 19282 1 1419 . 1 1 113 113 SER C C 13 178.063 0.003 . . . . . A 113 SER C . 19282 1 1420 . 1 1 113 113 SER CA C 13 59.218 0.034 . . . . . A 113 SER CA . 19282 1 1421 . 1 1 113 113 SER CB C 13 63.646 0.056 . . . . . A 113 SER CB . 19282 1 1422 . 1 1 113 113 SER N N 15 114.911 0.034 . . . . . A 113 SER N . 19282 1 1423 . 1 1 114 114 CYS H H 1 9.143 0.003 . . . . . A 114 CYS H . 19282 1 1424 . 1 1 114 114 CYS HA H 1 4.271 0.004 . . . . . A 114 CYS HA . 19282 1 1425 . 1 1 114 114 CYS HB2 H 1 3.164 0.005 . . . . . A 114 CYS HB2 . 19282 1 1426 . 1 1 114 114 CYS HB3 H 1 2.982 0.002 . . . . . A 114 CYS HB3 . 19282 1 1427 . 1 1 114 114 CYS C C 13 174.382 0.001 . . . . . A 114 CYS C . 19282 1 1428 . 1 1 114 114 CYS CA C 13 59.652 0.039 . . . . . A 114 CYS CA . 19282 1 1429 . 1 1 114 114 CYS CB C 13 45.624 0.026 . . . . . A 114 CYS CB . 19282 1 1430 . 1 1 114 114 CYS N N 15 125.039 0.040 . . . . . A 114 CYS N . 19282 1 1431 . 1 1 115 115 ASN H H 1 8.251 0.002 . . . . . A 115 ASN H . 19282 1 1432 . 1 1 115 115 ASN HA H 1 5.076 0.004 . . . . . A 115 ASN HA . 19282 1 1433 . 1 1 115 115 ASN HB2 H 1 3.083 0.012 . . . . . A 115 ASN HB2 . 19282 1 1434 . 1 1 115 115 ASN HB3 H 1 2.890 0.005 . . . . . A 115 ASN HB3 . 19282 1 1435 . 1 1 115 115 ASN HD21 H 1 7.605 0.005 . . . . . A 115 ASN HD21 . 19282 1 1436 . 1 1 115 115 ASN HD22 H 1 6.958 0.004 . . . . . A 115 ASN HD22 . 19282 1 1437 . 1 1 115 115 ASN C C 13 175.268 0.003 . . . . . A 115 ASN C . 19282 1 1438 . 1 1 115 115 ASN CA C 13 53.105 0.044 . . . . . A 115 ASN CA . 19282 1 1439 . 1 1 115 115 ASN CB C 13 38.085 0.080 . . . . . A 115 ASN CB . 19282 1 1440 . 1 1 115 115 ASN N N 15 116.644 0.035 . . . . . A 115 ASN N . 19282 1 1441 . 1 1 115 115 ASN ND2 N 15 112.325 0.049 . . . . . A 115 ASN ND2 . 19282 1 1442 . 1 1 116 116 SER H H 1 7.988 0.004 . . . . . A 116 SER H . 19282 1 1443 . 1 1 116 116 SER HA H 1 4.509 0.004 . . . . . A 116 SER HA . 19282 1 1444 . 1 1 116 116 SER HB2 H 1 4.162 0.006 . . . . . A 116 SER HB2 . 19282 1 1445 . 1 1 116 116 SER HB3 H 1 4.013 0.008 . . . . . A 116 SER HB3 . 19282 1 1446 . 1 1 116 116 SER C C 13 170.342 0.003 . . . . . A 116 SER C . 19282 1 1447 . 1 1 116 116 SER CA C 13 59.592 0.032 . . . . . A 116 SER CA . 19282 1 1448 . 1 1 116 116 SER CB C 13 63.948 0.041 . . . . . A 116 SER CB . 19282 1 1449 . 1 1 116 116 SER N N 15 117.296 0.041 . . . . . A 116 SER N . 19282 1 1450 . 1 1 117 117 ASP H H 1 8.027 0.005 . . . . . A 117 ASP H . 19282 1 1451 . 1 1 117 117 ASP HA H 1 4.833 0.009 . . . . . A 117 ASP HA . 19282 1 1452 . 1 1 117 117 ASP HB2 H 1 2.445 0.005 . . . . . A 117 ASP HB2 . 19282 1 1453 . 1 1 117 117 ASP HB3 H 1 2.445 0.005 . . . . . A 117 ASP HB3 . 19282 1 1454 . 1 1 117 117 ASP C C 13 174.981 0.002 . . . . . A 117 ASP C . 19282 1 1455 . 1 1 117 117 ASP CA C 13 53.331 0.081 . . . . . A 117 ASP CA . 19282 1 1456 . 1 1 117 117 ASP CB C 13 41.632 0.063 . . . . . A 117 ASP CB . 19282 1 1457 . 1 1 117 117 ASP N N 15 119.393 0.080 . . . . . A 117 ASP N . 19282 1 1458 . 1 1 118 118 ASN H H 1 8.634 0.003 . . . . . A 118 ASN H . 19282 1 1459 . 1 1 118 118 ASN HA H 1 4.940 0.006 . . . . . A 118 ASN HA . 19282 1 1460 . 1 1 118 118 ASN HB2 H 1 2.096 0.007 . . . . . A 118 ASN HB2 . 19282 1 1461 . 1 1 118 118 ASN HB3 H 1 0.497 0.004 . . . . . A 118 ASN HB3 . 19282 1 1462 . 1 1 118 118 ASN HD21 H 1 6.644 0.003 . . . . . A 118 ASN HD21 . 19282 1 1463 . 1 1 118 118 ASN HD22 H 1 3.125 0.003 . . . . . A 118 ASN HD22 . 19282 1 1464 . 1 1 118 118 ASN C C 13 176.169 0.001 . . . . . A 118 ASN C . 19282 1 1465 . 1 1 118 118 ASN CA C 13 52.074 0.036 . . . . . A 118 ASN CA . 19282 1 1466 . 1 1 118 118 ASN CB C 13 41.232 0.077 . . . . . A 118 ASN CB . 19282 1 1467 . 1 1 118 118 ASN N N 15 121.127 0.049 . . . . . A 118 ASN N . 19282 1 1468 . 1 1 118 118 ASN ND2 N 15 108.863 0.064 . . . . . A 118 ASN ND2 . 19282 1 1469 . 1 1 119 119 ARG H H 1 6.943 0.004 . . . . . A 119 ARG H . 19282 1 1470 . 1 1 119 119 ARG HA H 1 4.491 0.008 . . . . . A 119 ARG HA . 19282 1 1471 . 1 1 119 119 ARG HB2 H 1 1.850 0.004 . . . . . A 119 ARG HB2 . 19282 1 1472 . 1 1 119 119 ARG HB3 H 1 0.880 0.005 . . . . . A 119 ARG HB3 . 19282 1 1473 . 1 1 119 119 ARG HG2 H 1 1.352 0.006 . . . . . A 119 ARG HG2 . 19282 1 1474 . 1 1 119 119 ARG HG3 H 1 1.003 0.004 . . . . . A 119 ARG HG3 . 19282 1 1475 . 1 1 119 119 ARG HD2 H 1 2.769 0.004 . . . . . A 119 ARG HD2 . 19282 1 1476 . 1 1 119 119 ARG HD3 H 1 2.610 0.004 . . . . . A 119 ARG HD3 . 19282 1 1477 . 1 1 119 119 ARG HE H 1 6.846 0.003 . . . . . A 119 ARG HE . 19282 1 1478 . 1 1 119 119 ARG C C 13 174.125 0.003 . . . . . A 119 ARG C . 19282 1 1479 . 1 1 119 119 ARG CA C 13 56.668 0.053 . . . . . A 119 ARG CA . 19282 1 1480 . 1 1 119 119 ARG CB C 13 32.343 0.045 . . . . . A 119 ARG CB . 19282 1 1481 . 1 1 119 119 ARG CG C 13 27.030 0.064 . . . . . A 119 ARG CG . 19282 1 1482 . 1 1 119 119 ARG CD C 13 43.990 0.061 . . . . . A 119 ARG CD . 19282 1 1483 . 1 1 119 119 ARG N N 15 118.108 0.029 . . . . . A 119 ARG N . 19282 1 1484 . 1 1 119 119 ARG NE N 15 84.506 0.055 . . . . . A 119 ARG NE . 19282 1 1485 . 1 1 120 120 TRP H H 1 8.511 0.004 . . . . . A 120 TRP H . 19282 1 1486 . 1 1 120 120 TRP HA H 1 5.725 0.004 . . . . . A 120 TRP HA . 19282 1 1487 . 1 1 120 120 TRP HB2 H 1 3.894 0.006 . . . . . A 120 TRP HB2 . 19282 1 1488 . 1 1 120 120 TRP HB3 H 1 3.230 0.005 . . . . . A 120 TRP HB3 . 19282 1 1489 . 1 1 120 120 TRP HD1 H 1 7.078 0.003 . . . . . A 120 TRP HD1 . 19282 1 1490 . 1 1 120 120 TRP HE1 H 1 10.641 0.004 . . . . . A 120 TRP HE1 . 19282 1 1491 . 1 1 120 120 TRP HE3 H 1 7.874 0.002 . . . . . A 120 TRP HE3 . 19282 1 1492 . 1 1 120 120 TRP HZ2 H 1 7.267 0.003 . . . . . A 120 TRP HZ2 . 19282 1 1493 . 1 1 120 120 TRP HZ3 H 1 7.085 0.006 . . . . . A 120 TRP HZ3 . 19282 1 1494 . 1 1 120 120 TRP HH2 H 1 7.081 0.013 . . . . . A 120 TRP HH2 . 19282 1 1495 . 1 1 120 120 TRP C C 13 173.109 0.002 . . . . . A 120 TRP C . 19282 1 1496 . 1 1 120 120 TRP CA C 13 57.648 0.063 . . . . . A 120 TRP CA . 19282 1 1497 . 1 1 120 120 TRP CB C 13 33.071 0.120 . . . . . A 120 TRP CB . 19282 1 1498 . 1 1 120 120 TRP CD1 C 13 126.642 0.047 . . . . . A 120 TRP CD1 . 19282 1 1499 . 1 1 120 120 TRP CE3 C 13 120.207 0.064 . . . . . A 120 TRP CE3 . 19282 1 1500 . 1 1 120 120 TRP CZ2 C 13 113.862 0.057 . . . . . A 120 TRP CZ2 . 19282 1 1501 . 1 1 120 120 TRP CZ3 C 13 123.752 0.210 . . . . . A 120 TRP CZ3 . 19282 1 1502 . 1 1 120 120 TRP CH2 C 13 124.434 0.108 . . . . . A 120 TRP CH2 . 19282 1 1503 . 1 1 120 120 TRP N N 15 113.700 0.039 . . . . . A 120 TRP N . 19282 1 1504 . 1 1 120 120 TRP NE1 N 15 130.422 0.014 . . . . . A 120 TRP NE1 . 19282 1 1505 . 1 1 121 121 ILE H H 1 7.551 0.003 . . . . . A 121 ILE H . 19282 1 1506 . 1 1 121 121 ILE HA H 1 5.338 0.005 . . . . . A 121 ILE HA . 19282 1 1507 . 1 1 121 121 ILE HB H 1 1.795 0.005 . . . . . A 121 ILE HB . 19282 1 1508 . 1 1 121 121 ILE HG12 H 1 1.617 0.003 . . . . . A 121 ILE HG12 . 19282 1 1509 . 1 1 121 121 ILE HG13 H 1 0.927 0.003 . . . . . A 121 ILE HG13 . 19282 1 1510 . 1 1 121 121 ILE HG21 H 1 1.019 0.007 . . . . . A 121 ILE HG21 . 19282 1 1511 . 1 1 121 121 ILE HG22 H 1 1.019 0.007 . . . . . A 121 ILE HG22 . 19282 1 1512 . 1 1 121 121 ILE HG23 H 1 1.019 0.007 . . . . . A 121 ILE HG23 . 19282 1 1513 . 1 1 121 121 ILE HD11 H 1 0.544 0.005 . . . . . A 121 ILE HD11 . 19282 1 1514 . 1 1 121 121 ILE HD12 H 1 0.544 0.005 . . . . . A 121 ILE HD12 . 19282 1 1515 . 1 1 121 121 ILE HD13 H 1 0.544 0.005 . . . . . A 121 ILE HD13 . 19282 1 1516 . 1 1 121 121 ILE C C 13 176.617 0.002 . . . . . A 121 ILE C . 19282 1 1517 . 1 1 121 121 ILE CA C 13 59.430 0.041 . . . . . A 121 ILE CA . 19282 1 1518 . 1 1 121 121 ILE CB C 13 41.408 0.074 . . . . . A 121 ILE CB . 19282 1 1519 . 1 1 121 121 ILE CG1 C 13 28.127 0.048 . . . . . A 121 ILE CG1 . 19282 1 1520 . 1 1 121 121 ILE CG2 C 13 18.678 0.047 . . . . . A 121 ILE CG2 . 19282 1 1521 . 1 1 121 121 ILE CD1 C 13 14.425 0.018 . . . . . A 121 ILE CD1 . 19282 1 1522 . 1 1 121 121 ILE N N 15 117.255 0.040 . . . . . A 121 ILE N . 19282 1 1523 . 1 1 122 122 CYS H H 1 9.449 0.003 . . . . . A 122 CYS H . 19282 1 1524 . 1 1 122 122 CYS HA H 1 6.004 0.003 . . . . . A 122 CYS HA . 19282 1 1525 . 1 1 122 122 CYS HB2 H 1 3.316 0.006 . . . . . A 122 CYS HB2 . 19282 1 1526 . 1 1 122 122 CYS HB3 H 1 2.478 0.006 . . . . . A 122 CYS HB3 . 19282 1 1527 . 1 1 122 122 CYS C C 13 174.897 0.002 . . . . . A 122 CYS C . 19282 1 1528 . 1 1 122 122 CYS CA C 13 51.576 0.026 . . . . . A 122 CYS CA . 19282 1 1529 . 1 1 122 122 CYS CB C 13 39.418 0.030 . . . . . A 122 CYS CB . 19282 1 1530 . 1 1 122 122 CYS N N 15 122.116 0.036 . . . . . A 122 CYS N . 19282 1 1531 . 1 1 123 123 GLN H H 1 10.073 0.005 . . . . . A 123 GLN H . 19282 1 1532 . 1 1 123 123 GLN HA H 1 6.227 0.005 . . . . . A 123 GLN HA . 19282 1 1533 . 1 1 123 123 GLN HB2 H 1 2.339 0.005 . . . . . A 123 GLN HB2 . 19282 1 1534 . 1 1 123 123 GLN HB3 H 1 1.889 0.003 . . . . . A 123 GLN HB3 . 19282 1 1535 . 1 1 123 123 GLN HG2 H 1 2.308 0.009 . . . . . A 123 GLN HG2 . 19282 1 1536 . 1 1 123 123 GLN HG3 H 1 2.254 0.007 . . . . . A 123 GLN HG3 . 19282 1 1537 . 1 1 123 123 GLN HE21 H 1 7.953 0.003 . . . . . A 123 GLN HE21 . 19282 1 1538 . 1 1 123 123 GLN HE22 H 1 6.982 0.004 . . . . . A 123 GLN HE22 . 19282 1 1539 . 1 1 123 123 GLN C C 13 174.014 0.002 . . . . . A 123 GLN C . 19282 1 1540 . 1 1 123 123 GLN CA C 13 53.829 0.016 . . . . . A 123 GLN CA . 19282 1 1541 . 1 1 123 123 GLN CB C 13 34.972 0.093 . . . . . A 123 GLN CB . 19282 1 1542 . 1 1 123 123 GLN CG C 13 33.284 0.080 . . . . . A 123 GLN CG . 19282 1 1543 . 1 1 123 123 GLN N N 15 118.635 0.045 . . . . . A 123 GLN N . 19282 1 1544 . 1 1 123 123 GLN NE2 N 15 114.135 0.063 . . . . . A 123 GLN NE2 . 19282 1 1545 . 1 1 124 124 LYS H H 1 9.115 0.005 . . . . . A 124 LYS H . 19282 1 1546 . 1 1 124 124 LYS HA H 1 4.839 0.006 . . . . . A 124 LYS HA . 19282 1 1547 . 1 1 124 124 LYS HB2 H 1 1.659 0.004 . . . . . A 124 LYS HB2 . 19282 1 1548 . 1 1 124 124 LYS HB3 H 1 1.411 0.005 . . . . . A 124 LYS HB3 . 19282 1 1549 . 1 1 124 124 LYS HG2 H 1 1.336 0.011 . . . . . A 124 LYS HG2 . 19282 1 1550 . 1 1 124 124 LYS HG3 H 1 1.308 0.005 . . . . . A 124 LYS HG3 . 19282 1 1551 . 1 1 124 124 LYS HD2 H 1 1.080 0.004 . . . . . A 124 LYS HD2 . 19282 1 1552 . 1 1 124 124 LYS HD3 H 1 0.922 0.004 . . . . . A 124 LYS HD3 . 19282 1 1553 . 1 1 124 124 LYS HE2 H 1 2.530 0.011 . . . . . A 124 LYS HE2 . 19282 1 1554 . 1 1 124 124 LYS HE3 H 1 2.530 0.011 . . . . . A 124 LYS HE3 . 19282 1 1555 . 1 1 124 124 LYS C C 13 174.809 0.003 . . . . . A 124 LYS C . 19282 1 1556 . 1 1 124 124 LYS CA C 13 55.403 0.049 . . . . . A 124 LYS CA . 19282 1 1557 . 1 1 124 124 LYS CB C 13 37.577 0.042 . . . . . A 124 LYS CB . 19282 1 1558 . 1 1 124 124 LYS CG C 13 24.517 0.061 . . . . . A 124 LYS CG . 19282 1 1559 . 1 1 124 124 LYS CD C 13 29.426 0.058 . . . . . A 124 LYS CD . 19282 1 1560 . 1 1 124 124 LYS CE C 13 41.635 0.068 . . . . . A 124 LYS CE . 19282 1 1561 . 1 1 124 124 LYS N N 15 121.677 0.044 . . . . . A 124 LYS N . 19282 1 1562 . 1 1 125 125 GLU H H 1 8.695 0.004 . . . . . A 125 GLU H . 19282 1 1563 . 1 1 125 125 GLU HA H 1 4.575 0.007 . . . . . A 125 GLU HA . 19282 1 1564 . 1 1 125 125 GLU HB2 H 1 2.042 0.003 . . . . . A 125 GLU HB2 . 19282 1 1565 . 1 1 125 125 GLU HB3 H 1 1.882 0.006 . . . . . A 125 GLU HB3 . 19282 1 1566 . 1 1 125 125 GLU HG2 H 1 2.239 0.005 . . . . . A 125 GLU HG2 . 19282 1 1567 . 1 1 125 125 GLU HG3 H 1 2.191 0.002 . . . . . A 125 GLU HG3 . 19282 1 1568 . 1 1 125 125 GLU C C 13 176.057 0.004 . . . . . A 125 GLU C . 19282 1 1569 . 1 1 125 125 GLU CA C 13 56.021 0.044 . . . . . A 125 GLU CA . 19282 1 1570 . 1 1 125 125 GLU CB C 13 31.152 0.105 . . . . . A 125 GLU CB . 19282 1 1571 . 1 1 125 125 GLU CG C 13 36.813 0.030 . . . . . A 125 GLU CG . 19282 1 1572 . 1 1 125 125 GLU N N 15 122.487 0.041 . . . . . A 125 GLU N . 19282 1 1573 . 1 1 126 126 LEU H H 1 8.332 0.005 . . . . . A 126 LEU H . 19282 1 1574 . 1 1 126 126 LEU HA H 1 4.139 0.007 . . . . . A 126 LEU HA . 19282 1 1575 . 1 1 126 126 LEU HB2 H 1 1.388 0.006 . . . . . A 126 LEU HB2 . 19282 1 1576 . 1 1 126 126 LEU HB3 H 1 1.162 0.004 . . . . . A 126 LEU HB3 . 19282 1 1577 . 1 1 126 126 LEU HG H 1 1.276 0.006 . . . . . A 126 LEU HG . 19282 1 1578 . 1 1 126 126 LEU HD11 H 1 0.661 0.003 . . . . . A 126 LEU HD11 . 19282 1 1579 . 1 1 126 126 LEU HD12 H 1 0.661 0.003 . . . . . A 126 LEU HD12 . 19282 1 1580 . 1 1 126 126 LEU HD13 H 1 0.661 0.003 . . . . . A 126 LEU HD13 . 19282 1 1581 . 1 1 126 126 LEU HD21 H 1 0.587 0.002 . . . . . A 126 LEU HD21 . 19282 1 1582 . 1 1 126 126 LEU HD22 H 1 0.587 0.002 . . . . . A 126 LEU HD22 . 19282 1 1583 . 1 1 126 126 LEU HD23 H 1 0.587 0.002 . . . . . A 126 LEU HD23 . 19282 1 1584 . 1 1 126 126 LEU C C 13 176.479 0.006 . . . . . A 126 LEU C . 19282 1 1585 . 1 1 126 126 LEU CA C 13 55.583 0.122 . . . . . A 126 LEU CA . 19282 1 1586 . 1 1 126 126 LEU CB C 13 42.625 0.029 . . . . . A 126 LEU CB . 19282 1 1587 . 1 1 126 126 LEU CG C 13 26.844 0.057 . . . . . A 126 LEU CG . 19282 1 1588 . 1 1 126 126 LEU CD1 C 13 25.100 0.065 . . . . . A 126 LEU CD1 . 19282 1 1589 . 1 1 126 126 LEU CD2 C 13 23.485 0.046 . . . . . A 126 LEU CD2 . 19282 1 1590 . 1 1 126 126 LEU N N 15 123.898 0.065 . . . . . A 126 LEU N . 19282 1 1591 . 1 1 127 127 TYR H H 1 8.028 0.004 . . . . . A 127 TYR H . 19282 1 1592 . 1 1 127 127 TYR HA H 1 4.529 0.004 . . . . . A 127 TYR HA . 19282 1 1593 . 1 1 127 127 TYR HB2 H 1 2.998 0.006 . . . . . A 127 TYR HB2 . 19282 1 1594 . 1 1 127 127 TYR HB3 H 1 2.907 0.002 . . . . . A 127 TYR HB3 . 19282 1 1595 . 1 1 127 127 TYR HD1 H 1 7.077 0.007 . . . . . A 127 TYR HD1 . 19282 1 1596 . 1 1 127 127 TYR HD2 H 1 7.077 0.007 . . . . . A 127 TYR HD2 . 19282 1 1597 . 1 1 127 127 TYR HE1 H 1 6.804 0.005 . . . . . A 127 TYR HE1 . 19282 1 1598 . 1 1 127 127 TYR HE2 H 1 6.804 0.005 . . . . . A 127 TYR HE2 . 19282 1 1599 . 1 1 127 127 TYR C C 13 175.072 0.005 . . . . . A 127 TYR C . 19282 1 1600 . 1 1 127 127 TYR CA C 13 57.486 0.026 . . . . . A 127 TYR CA . 19282 1 1601 . 1 1 127 127 TYR CB C 13 38.869 0.092 . . . . . A 127 TYR CB . 19282 1 1602 . 1 1 127 127 TYR CD1 C 13 133.303 0.030 . . . . . A 127 TYR CD1 . 19282 1 1603 . 1 1 127 127 TYR CD2 C 13 133.303 0.030 . . . . . A 127 TYR CD2 . 19282 1 1604 . 1 1 127 127 TYR CE1 C 13 118.286 0.021 . . . . . A 127 TYR CE1 . 19282 1 1605 . 1 1 127 127 TYR CE2 C 13 118.286 0.021 . . . . . A 127 TYR CE2 . 19282 1 1606 . 1 1 127 127 TYR N N 15 118.052 0.056 . . . . . A 127 TYR N . 19282 1 1607 . 1 1 128 128 HIS H H 1 8.014 0.002 . . . . . A 128 HIS H . 19282 1 1608 . 1 1 128 128 HIS HA H 1 4.584 0.002 . . . . . A 128 HIS HA . 19282 1 1609 . 1 1 128 128 HIS HB2 H 1 3.137 0.003 . . . . . A 128 HIS HB2 . 19282 1 1610 . 1 1 128 128 HIS HB3 H 1 3.050 0.003 . . . . . A 128 HIS HB3 . 19282 1 1611 . 1 1 128 128 HIS HD2 H 1 7.119 0.005 . . . . . A 128 HIS HD2 . 19282 1 1612 . 1 1 128 128 HIS HE1 H 1 8.197 0.000 . . . . . A 128 HIS HE1 . 19282 1 1613 . 1 1 128 128 HIS C C 13 174.487 0.001 . . . . . A 128 HIS C . 19282 1 1614 . 1 1 128 128 HIS CA C 13 55.688 0.058 . . . . . A 128 HIS CA . 19282 1 1615 . 1 1 128 128 HIS CB C 13 30.515 0.041 . . . . . A 128 HIS CB . 19282 1 1616 . 1 1 128 128 HIS CD2 C 13 120.061 0.052 . . . . . A 128 HIS CD2 . 19282 1 1617 . 1 1 128 128 HIS CE1 C 13 137.418 0.000 . . . . . A 128 HIS CE1 . 19282 1 1618 . 1 1 128 128 HIS N N 15 120.723 0.042 . . . . . A 128 HIS N . 19282 1 1619 . 1 1 129 129 GLU H H 1 8.424 0.005 . . . . . A 129 GLU H . 19282 1 1620 . 1 1 129 129 GLU HA H 1 4.284 0.011 . . . . . A 129 GLU HA . 19282 1 1621 . 1 1 129 129 GLU HB2 H 1 2.041 0.006 . . . . . A 129 GLU HB2 . 19282 1 1622 . 1 1 129 129 GLU HB3 H 1 1.948 0.003 . . . . . A 129 GLU HB3 . 19282 1 1623 . 1 1 129 129 GLU HG2 H 1 2.241 0.007 . . . . . A 129 GLU HG2 . 19282 1 1624 . 1 1 129 129 GLU HG3 H 1 2.241 0.007 . . . . . A 129 GLU HG3 . 19282 1 1625 . 1 1 129 129 GLU C C 13 176.492 0.003 . . . . . A 129 GLU C . 19282 1 1626 . 1 1 129 129 GLU CA C 13 56.817 0.040 . . . . . A 129 GLU CA . 19282 1 1627 . 1 1 129 129 GLU CB C 13 30.472 0.118 . . . . . A 129 GLU CB . 19282 1 1628 . 1 1 129 129 GLU CG C 13 36.272 0.034 . . . . . A 129 GLU CG . 19282 1 1629 . 1 1 129 129 GLU N N 15 122.855 0.062 . . . . . A 129 GLU N . 19282 1 1630 . 1 1 130 130 THR H H 1 8.311 0.001 . . . . . A 130 THR H . 19282 1 1631 . 1 1 130 130 THR HA H 1 4.339 0.005 . . . . . A 130 THR HA . 19282 1 1632 . 1 1 130 130 THR HB H 1 4.204 0.003 . . . . . A 130 THR HB . 19282 1 1633 . 1 1 130 130 THR HG21 H 1 1.221 0.006 . . . . . A 130 THR HG21 . 19282 1 1634 . 1 1 130 130 THR HG22 H 1 1.221 0.006 . . . . . A 130 THR HG22 . 19282 1 1635 . 1 1 130 130 THR HG23 H 1 1.221 0.006 . . . . . A 130 THR HG23 . 19282 1 1636 . 1 1 130 130 THR C C 13 174.589 0.005 . . . . . A 130 THR C . 19282 1 1637 . 1 1 130 130 THR CA C 13 62.205 0.075 . . . . . A 130 THR CA . 19282 1 1638 . 1 1 130 130 THR CB C 13 69.939 0.071 . . . . . A 130 THR CB . 19282 1 1639 . 1 1 130 130 THR CG2 C 13 21.704 0.073 . . . . . A 130 THR CG2 . 19282 1 1640 . 1 1 130 130 THR N N 15 116.228 0.106 . . . . . A 130 THR N . 19282 1 1641 . 1 1 131 131 LEU H H 1 8.294 0.003 . . . . . A 131 LEU H . 19282 1 1642 . 1 1 131 131 LEU HA H 1 4.410 0.002 . . . . . A 131 LEU HA . 19282 1 1643 . 1 1 131 131 LEU HB2 H 1 1.634 0.010 . . . . . A 131 LEU HB2 . 19282 1 1644 . 1 1 131 131 LEU HB3 H 1 1.634 0.010 . . . . . A 131 LEU HB3 . 19282 1 1645 . 1 1 131 131 LEU HG H 1 1.625 0.004 . . . . . A 131 LEU HG . 19282 1 1646 . 1 1 131 131 LEU HD11 H 1 0.908 0.000 . . . . . A 131 LEU HD11 . 19282 1 1647 . 1 1 131 131 LEU HD12 H 1 0.908 0.000 . . . . . A 131 LEU HD12 . 19282 1 1648 . 1 1 131 131 LEU HD13 H 1 0.908 0.000 . . . . . A 131 LEU HD13 . 19282 1 1649 . 1 1 131 131 LEU HD21 H 1 0.862 0.004 . . . . . A 131 LEU HD21 . 19282 1 1650 . 1 1 131 131 LEU HD22 H 1 0.862 0.004 . . . . . A 131 LEU HD22 . 19282 1 1651 . 1 1 131 131 LEU HD23 H 1 0.862 0.004 . . . . . A 131 LEU HD23 . 19282 1 1652 . 1 1 131 131 LEU C C 13 177.438 0.001 . . . . . A 131 LEU C . 19282 1 1653 . 1 1 131 131 LEU CA C 13 55.362 0.026 . . . . . A 131 LEU CA . 19282 1 1654 . 1 1 131 131 LEU CB C 13 42.356 0.065 . . . . . A 131 LEU CB . 19282 1 1655 . 1 1 131 131 LEU CG C 13 27.115 0.094 . . . . . A 131 LEU CG . 19282 1 1656 . 1 1 131 131 LEU CD1 C 13 24.876 0.000 . . . . . A 131 LEU CD1 . 19282 1 1657 . 1 1 131 131 LEU CD2 C 13 23.523 0.022 . . . . . A 131 LEU CD2 . 19282 1 1658 . 1 1 131 131 LEU N N 15 124.856 0.041 . . . . . A 131 LEU N . 19282 1 1659 . 1 1 132 132 SER H H 1 8.255 0.002 . . . . . A 132 SER H . 19282 1 1660 . 1 1 132 132 SER HA H 1 4.397 0.005 . . . . . A 132 SER HA . 19282 1 1661 . 1 1 132 132 SER HB2 H 1 3.843 0.006 . . . . . A 132 SER HB2 . 19282 1 1662 . 1 1 132 132 SER HB3 H 1 3.811 0.004 . . . . . A 132 SER HB3 . 19282 1 1663 . 1 1 132 132 SER C C 13 174.250 0.027 . . . . . A 132 SER C . 19282 1 1664 . 1 1 132 132 SER CA C 13 58.571 0.059 . . . . . A 132 SER CA . 19282 1 1665 . 1 1 132 132 SER CB C 13 63.862 0.043 . . . . . A 132 SER CB . 19282 1 1666 . 1 1 132 132 SER N N 15 116.127 0.076 . . . . . A 132 SER N . 19282 1 1667 . 1 1 133 133 ASN H H 1 8.293 0.004 . . . . . A 133 ASN H . 19282 1 1668 . 1 1 133 133 ASN HA H 1 4.692 0.005 . . . . . A 133 ASN HA . 19282 1 1669 . 1 1 133 133 ASN HB2 H 1 2.750 0.002 . . . . . A 133 ASN HB2 . 19282 1 1670 . 1 1 133 133 ASN HB3 H 1 2.706 0.004 . . . . . A 133 ASN HB3 . 19282 1 1671 . 1 1 133 133 ASN HD21 H 1 7.504 0.003 . . . . . A 133 ASN HD21 . 19282 1 1672 . 1 1 133 133 ASN HD22 H 1 6.826 0.003 . . . . . A 133 ASN HD22 . 19282 1 1673 . 1 1 133 133 ASN C C 13 174.658 0.003 . . . . . A 133 ASN C . 19282 1 1674 . 1 1 133 133 ASN CA C 13 53.339 0.045 . . . . . A 133 ASN CA . 19282 1 1675 . 1 1 133 133 ASN CB C 13 38.838 0.048 . . . . . A 133 ASN CB . 19282 1 1676 . 1 1 133 133 ASN N N 15 120.181 0.048 . . . . . A 133 ASN N . 19282 1 1677 . 1 1 133 133 ASN ND2 N 15 112.282 0.033 . . . . . A 133 ASN ND2 . 19282 1 1678 . 1 1 134 134 TYR H H 1 8.067 0.002 . . . . . A 134 TYR H . 19282 1 1679 . 1 1 134 134 TYR HA H 1 4.573 0.003 . . . . . A 134 TYR HA . 19282 1 1680 . 1 1 134 134 TYR HB2 H 1 2.997 0.010 . . . . . A 134 TYR HB2 . 19282 1 1681 . 1 1 134 134 TYR HB3 H 1 2.997 0.010 . . . . . A 134 TYR HB3 . 19282 1 1682 . 1 1 134 134 TYR HD1 H 1 7.178 0.002 . . . . . A 134 TYR HD1 . 19282 1 1683 . 1 1 134 134 TYR HD2 H 1 7.178 0.002 . . . . . A 134 TYR HD2 . 19282 1 1684 . 1 1 134 134 TYR HE1 H 1 6.875 0.000 . . . . . A 134 TYR HE1 . 19282 1 1685 . 1 1 134 134 TYR HE2 H 1 6.875 0.000 . . . . . A 134 TYR HE2 . 19282 1 1686 . 1 1 134 134 TYR C C 13 175.726 0.003 . . . . . A 134 TYR C . 19282 1 1687 . 1 1 134 134 TYR CA C 13 58.149 0.022 . . . . . A 134 TYR CA . 19282 1 1688 . 1 1 134 134 TYR CB C 13 38.845 0.028 . . . . . A 134 TYR CB . 19282 1 1689 . 1 1 134 134 TYR CD1 C 13 133.261 0.063 . . . . . A 134 TYR CD1 . 19282 1 1690 . 1 1 134 134 TYR CD2 C 13 133.261 0.063 . . . . . A 134 TYR CD2 . 19282 1 1691 . 1 1 134 134 TYR CE1 C 13 118.681 0.000 . . . . . A 134 TYR CE1 . 19282 1 1692 . 1 1 134 134 TYR CE2 C 13 118.681 0.000 . . . . . A 134 TYR CE2 . 19282 1 1693 . 1 1 134 134 TYR N N 15 120.605 0.063 . . . . . A 134 TYR N . 19282 1 1694 . 1 1 135 135 VAL H H 1 7.952 0.003 . . . . . A 135 VAL H . 19282 1 1695 . 1 1 135 135 VAL HA H 1 4.047 0.005 . . . . . A 135 VAL HA . 19282 1 1696 . 1 1 135 135 VAL HB H 1 2.009 0.005 . . . . . A 135 VAL HB . 19282 1 1697 . 1 1 135 135 VAL HG11 H 1 0.884 0.004 . . . . . A 135 VAL HG11 . 19282 1 1698 . 1 1 135 135 VAL HG12 H 1 0.884 0.004 . . . . . A 135 VAL HG12 . 19282 1 1699 . 1 1 135 135 VAL HG13 H 1 0.884 0.004 . . . . . A 135 VAL HG13 . 19282 1 1700 . 1 1 135 135 VAL HG21 H 1 0.865 0.003 . . . . . A 135 VAL HG21 . 19282 1 1701 . 1 1 135 135 VAL HG22 H 1 0.865 0.003 . . . . . A 135 VAL HG22 . 19282 1 1702 . 1 1 135 135 VAL HG23 H 1 0.865 0.003 . . . . . A 135 VAL HG23 . 19282 1 1703 . 1 1 135 135 VAL C C 13 176.130 0.003 . . . . . A 135 VAL C . 19282 1 1704 . 1 1 135 135 VAL CA C 13 62.546 0.078 . . . . . A 135 VAL CA . 19282 1 1705 . 1 1 135 135 VAL CB C 13 32.778 0.055 . . . . . A 135 VAL CB . 19282 1 1706 . 1 1 135 135 VAL CG1 C 13 20.464 0.055 . . . . . A 135 VAL CG1 . 19282 1 1707 . 1 1 135 135 VAL CG2 C 13 21.116 0.053 . . . . . A 135 VAL CG2 . 19282 1 1708 . 1 1 135 135 VAL N N 15 122.466 0.069 . . . . . A 135 VAL N . 19282 1 1709 . 1 1 136 136 GLY H H 1 7.915 0.001 . . . . . A 136 GLY H . 19282 1 1710 . 1 1 136 136 GLY HA2 H 1 3.908 0.007 . . . . . A 136 GLY HA2 . 19282 1 1711 . 1 1 136 136 GLY HA3 H 1 3.798 0.020 . . . . . A 136 GLY HA3 . 19282 1 1712 . 1 1 136 136 GLY C C 13 173.652 0.002 . . . . . A 136 GLY C . 19282 1 1713 . 1 1 136 136 GLY CA C 13 45.218 0.088 . . . . . A 136 GLY CA . 19282 1 1714 . 1 1 136 136 GLY N N 15 111.336 0.034 . . . . . A 136 GLY N . 19282 1 1715 . 1 1 137 137 TYR H H 1 7.994 0.001 . . . . . A 137 TYR H . 19282 1 1716 . 1 1 137 137 TYR HA H 1 4.564 0.003 . . . . . A 137 TYR HA . 19282 1 1717 . 1 1 137 137 TYR HB2 H 1 3.060 0.002 . . . . . A 137 TYR HB2 . 19282 1 1718 . 1 1 137 137 TYR HB3 H 1 2.937 0.005 . . . . . A 137 TYR HB3 . 19282 1 1719 . 1 1 137 137 TYR HD1 H 1 7.217 0.005 . . . . . A 137 TYR HD1 . 19282 1 1720 . 1 1 137 137 TYR HD2 H 1 7.217 0.005 . . . . . A 137 TYR HD2 . 19282 1 1721 . 1 1 137 137 TYR HE1 H 1 6.925 0.005 . . . . . A 137 TYR HE1 . 19282 1 1722 . 1 1 137 137 TYR HE2 H 1 6.925 0.005 . . . . . A 137 TYR HE2 . 19282 1 1723 . 1 1 137 137 TYR C C 13 176.375 0.004 . . . . . A 137 TYR C . 19282 1 1724 . 1 1 137 137 TYR CA C 13 58.168 0.023 . . . . . A 137 TYR CA . 19282 1 1725 . 1 1 137 137 TYR CB C 13 38.925 0.025 . . . . . A 137 TYR CB . 19282 1 1726 . 1 1 137 137 TYR CD1 C 13 133.494 0.060 . . . . . A 137 TYR CD1 . 19282 1 1727 . 1 1 137 137 TYR CD2 C 13 133.494 0.060 . . . . . A 137 TYR CD2 . 19282 1 1728 . 1 1 137 137 TYR CE1 C 13 118.664 0.050 . . . . . A 137 TYR CE1 . 19282 1 1729 . 1 1 137 137 TYR CE2 C 13 118.664 0.050 . . . . . A 137 TYR CE2 . 19282 1 1730 . 1 1 137 137 TYR N N 15 119.801 0.107 . . . . . A 137 TYR N . 19282 1 1731 . 1 1 138 138 GLY H H 1 8.345 0.001 . . . . . A 138 GLY H . 19282 1 1732 . 1 1 138 138 GLY HA2 H 1 3.894 0.004 . . . . . A 138 GLY HA2 . 19282 1 1733 . 1 1 138 138 GLY HA3 H 1 3.798 0.014 . . . . . A 138 GLY HA3 . 19282 1 1734 . 1 1 138 138 GLY C C 13 173.159 0.001 . . . . . A 138 GLY C . 19282 1 1735 . 1 1 138 138 GLY CA C 13 45.375 0.055 . . . . . A 138 GLY CA . 19282 1 1736 . 1 1 138 138 GLY N N 15 110.979 0.040 . . . . . A 138 GLY N . 19282 1 1737 . 1 1 139 139 HIS H H 1 7.759 0.002 . . . . . A 139 HIS H . 19282 1 1738 . 1 1 139 139 HIS HA H 1 4.478 0.001 . . . . . A 139 HIS HA . 19282 1 1739 . 1 1 139 139 HIS HB2 H 1 3.241 0.005 . . . . . A 139 HIS HB2 . 19282 1 1740 . 1 1 139 139 HIS HB3 H 1 3.058 0.003 . . . . . A 139 HIS HB3 . 19282 1 1741 . 1 1 139 139 HIS HE1 H 1 7.896 0.000 . . . . . A 139 HIS HE1 . 19282 1 1742 . 1 1 139 139 HIS C C 13 179.188 0.000 . . . . . A 139 HIS C . 19282 1 1743 . 1 1 139 139 HIS CA C 13 57.071 0.029 . . . . . A 139 HIS CA . 19282 1 1744 . 1 1 139 139 HIS CB C 13 30.547 0.022 . . . . . A 139 HIS CB . 19282 1 1745 . 1 1 139 139 HIS CE1 C 13 138.934 0.022 . . . . . A 139 HIS CE1 . 19282 1 1746 . 1 1 139 139 HIS N N 15 123.460 0.019 . . . . . A 139 HIS N . 19282 1 stop_ save_