data_18480 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18480 _Entry.Title ; NMR structure of major ampullate spidroin 1 N-terminal domain at pH 5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-25 _Entry.Accession_date 2012-05-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martins Otikovs . . . 18480 2 Kristaps Jaudzems . . . 18480 3 Kerstin Nordling . . . 18480 4 Michael Landreh . . . 18480 5 Anna Rising . . . 18480 6 Glareh Askarieh . . . 18480 7 Stefan Knight . . . 18480 8 Jan Johansson . . . 18480 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' . 18480 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 18480 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18480 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 537 18480 '15N chemical shifts' 152 18480 '1H chemical shifts' 893 18480 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-24 2012-05-25 update BMRB 'update entry citation' 18480 1 . . 2013-11-26 2012-05-25 original author 'original release' 18480 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18480 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24510122 _Citation.Full_citation . _Citation.Title 'Sequential pH-driven dimerization and stabilization of the N-terminal domain enables rapid spider silk formation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 5 _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 3254 _Citation.Page_last 3254 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nina Kronqvist . . . 18480 1 2 Martins Otikovs . . . 18480 1 3 Volodymyr Chmyrov . . . 18480 1 4 Gefei Chen . . . 18480 1 5 Marlene Andersson . . . 18480 1 6 Kerstin Nordling . . . 18480 1 7 Michael Landreh . . . 18480 1 8 Medoune Sarr . . . 18480 1 9 Hans Jornvall . . . 18480 1 10 Stefan Wennmalm . . . 18480 1 11 Jerker Widengren . . . 18480 1 12 Qing Meng . . . 18480 1 13 Anna Rising . . . 18480 1 14 Daniel Otzen . . . 18480 1 15 Stefan Knight . D. . 18480 1 16 Kristaps Jaudzems . . . 18480 1 17 Jan Johansson . . . 18480 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18480 _Assembly.ID 1 _Assembly.Name 'major ampullate spidroin 1 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $Major_ampullate_spidroin_1 A . yes native no no . . . 18480 1 2 entity_2 1 $Major_ampullate_spidroin_1 B . yes native no no . . . 18480 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Major_ampullate_spidroin_1 _Entity.Sf_category entity _Entity.Sf_framecode Major_ampullate_spidroin_1 _Entity.Entry_ID 18480 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Major_ampullate_spidroin_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGNSHTTPWTNPGLAENFM NSFMQGLSSMPGFTASQLDD MSTIAQSMVQSIQSLAAQGR TSPNKLQALNMAFASSMAEI AASEEGGGSLSTKTSSIASA MSNAFLQTTGVVNQPFINEI TQLVSMFAQAGMNDVSA ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14183.802 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18261 . A72R . . . . . 100.00 137 99.27 99.27 4.35e-89 . . . . 18480 1 2 no BMRB 18262 . Major_ampullate_spidroin_1 . . . . . 100.00 137 100.00 100.00 8.64e-90 . . . . 18480 1 3 no PDB 2LPI . "Nmr Structure Of A Monomeric Mutant (A72r) Of Major Ampullate Spidroin 1 N-Terminal Domain" . . . . . 100.00 137 99.27 99.27 4.35e-89 . . . . 18480 1 4 no PDB 2LPJ . "Nmr Structure Of Major Ampullate Spidroin 1 N-Terminal Domain At Ph 7.2" . . . . . 100.00 137 100.00 100.00 8.64e-90 . . . . 18480 1 5 no PDB 2LTH . "Nmr Structure Of Major Ampullate Spidroin 1 N-terminal Domain At Ph 5.5" . . . . . 100.00 137 100.00 100.00 8.64e-90 . . . . 18480 1 6 no PDB 3LR2 . "Self-Assembly Of Spider Silk Proteins Is Controlled By A Ph-Sensitive Relay" . . . . . 100.00 137 100.00 100.00 8.64e-90 . . . . 18480 1 7 no PDB 3LR6 . "Self-Assembly Of Spider Silk Proteins Is Controlled By A Ph- Relay" . . . . . 100.00 137 99.27 100.00 5.53e-89 . . . . 18480 1 8 no PDB 3LR8 . "Self-Assembly Of Spider Silk Proteins Is Controlled By A Ph- Relay" . . . . . 100.00 137 99.27 100.00 3.78e-89 . . . . 18480 1 9 no PDB 3LRD . "Self-Assembly Of Spider Silk Proteins Is Controlled By A Ph- Relay" . . . . . 100.00 137 98.54 100.00 3.04e-88 . . . . 18480 1 10 no PDB 4FBS . "Structure Of Monomeric Nt From Euprosthenops Australis Major Ampullate Spidroin 1 (Masp1)" . . . . . 100.00 137 99.27 99.27 4.35e-89 . . . . 18480 1 11 no EMBL CAJ90517 . "major ampullate spidroin 1 precursor [Euprosthenops australis]" . . . . . 97.08 394 100.00 100.00 5.61e-89 . . . . 18480 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18480 1 2 . SER . 18480 1 3 . GLY . 18480 1 4 . ASN . 18480 1 5 . SER . 18480 1 6 . HIS . 18480 1 7 . THR . 18480 1 8 . THR . 18480 1 9 . PRO . 18480 1 10 . TRP . 18480 1 11 . THR . 18480 1 12 . ASN . 18480 1 13 . PRO . 18480 1 14 . GLY . 18480 1 15 . LEU . 18480 1 16 . ALA . 18480 1 17 . GLU . 18480 1 18 . ASN . 18480 1 19 . PHE . 18480 1 20 . MET . 18480 1 21 . ASN . 18480 1 22 . SER . 18480 1 23 . PHE . 18480 1 24 . MET . 18480 1 25 . GLN . 18480 1 26 . GLY . 18480 1 27 . LEU . 18480 1 28 . SER . 18480 1 29 . SER . 18480 1 30 . MET . 18480 1 31 . PRO . 18480 1 32 . GLY . 18480 1 33 . PHE . 18480 1 34 . THR . 18480 1 35 . ALA . 18480 1 36 . SER . 18480 1 37 . GLN . 18480 1 38 . LEU . 18480 1 39 . ASP . 18480 1 40 . ASP . 18480 1 41 . MET . 18480 1 42 . SER . 18480 1 43 . THR . 18480 1 44 . ILE . 18480 1 45 . ALA . 18480 1 46 . GLN . 18480 1 47 . SER . 18480 1 48 . MET . 18480 1 49 . VAL . 18480 1 50 . GLN . 18480 1 51 . SER . 18480 1 52 . ILE . 18480 1 53 . GLN . 18480 1 54 . SER . 18480 1 55 . LEU . 18480 1 56 . ALA . 18480 1 57 . ALA . 18480 1 58 . GLN . 18480 1 59 . GLY . 18480 1 60 . ARG . 18480 1 61 . THR . 18480 1 62 . SER . 18480 1 63 . PRO . 18480 1 64 . ASN . 18480 1 65 . LYS . 18480 1 66 . LEU . 18480 1 67 . GLN . 18480 1 68 . ALA . 18480 1 69 . LEU . 18480 1 70 . ASN . 18480 1 71 . MET . 18480 1 72 . ALA . 18480 1 73 . PHE . 18480 1 74 . ALA . 18480 1 75 . SER . 18480 1 76 . SER . 18480 1 77 . MET . 18480 1 78 . ALA . 18480 1 79 . GLU . 18480 1 80 . ILE . 18480 1 81 . ALA . 18480 1 82 . ALA . 18480 1 83 . SER . 18480 1 84 . GLU . 18480 1 85 . GLU . 18480 1 86 . GLY . 18480 1 87 . GLY . 18480 1 88 . GLY . 18480 1 89 . SER . 18480 1 90 . LEU . 18480 1 91 . SER . 18480 1 92 . THR . 18480 1 93 . LYS . 18480 1 94 . THR . 18480 1 95 . SER . 18480 1 96 . SER . 18480 1 97 . ILE . 18480 1 98 . ALA . 18480 1 99 . SER . 18480 1 100 . ALA . 18480 1 101 . MET . 18480 1 102 . SER . 18480 1 103 . ASN . 18480 1 104 . ALA . 18480 1 105 . PHE . 18480 1 106 . LEU . 18480 1 107 . GLN . 18480 1 108 . THR . 18480 1 109 . THR . 18480 1 110 . GLY . 18480 1 111 . VAL . 18480 1 112 . VAL . 18480 1 113 . ASN . 18480 1 114 . GLN . 18480 1 115 . PRO . 18480 1 116 . PHE . 18480 1 117 . ILE . 18480 1 118 . ASN . 18480 1 119 . GLU . 18480 1 120 . ILE . 18480 1 121 . THR . 18480 1 122 . GLN . 18480 1 123 . LEU . 18480 1 124 . VAL . 18480 1 125 . SER . 18480 1 126 . MET . 18480 1 127 . PHE . 18480 1 128 . ALA . 18480 1 129 . GLN . 18480 1 130 . ALA . 18480 1 131 . GLY . 18480 1 132 . MET . 18480 1 133 . ASN . 18480 1 134 . ASP . 18480 1 135 . VAL . 18480 1 136 . SER . 18480 1 137 . ALA . 18480 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18480 1 . SER 2 2 18480 1 . GLY 3 3 18480 1 . ASN 4 4 18480 1 . SER 5 5 18480 1 . HIS 6 6 18480 1 . THR 7 7 18480 1 . THR 8 8 18480 1 . PRO 9 9 18480 1 . TRP 10 10 18480 1 . THR 11 11 18480 1 . ASN 12 12 18480 1 . PRO 13 13 18480 1 . GLY 14 14 18480 1 . LEU 15 15 18480 1 . ALA 16 16 18480 1 . GLU 17 17 18480 1 . ASN 18 18 18480 1 . PHE 19 19 18480 1 . MET 20 20 18480 1 . ASN 21 21 18480 1 . SER 22 22 18480 1 . PHE 23 23 18480 1 . MET 24 24 18480 1 . GLN 25 25 18480 1 . GLY 26 26 18480 1 . LEU 27 27 18480 1 . SER 28 28 18480 1 . SER 29 29 18480 1 . MET 30 30 18480 1 . PRO 31 31 18480 1 . GLY 32 32 18480 1 . PHE 33 33 18480 1 . THR 34 34 18480 1 . ALA 35 35 18480 1 . SER 36 36 18480 1 . GLN 37 37 18480 1 . LEU 38 38 18480 1 . ASP 39 39 18480 1 . ASP 40 40 18480 1 . MET 41 41 18480 1 . SER 42 42 18480 1 . THR 43 43 18480 1 . ILE 44 44 18480 1 . ALA 45 45 18480 1 . GLN 46 46 18480 1 . SER 47 47 18480 1 . MET 48 48 18480 1 . VAL 49 49 18480 1 . GLN 50 50 18480 1 . SER 51 51 18480 1 . ILE 52 52 18480 1 . GLN 53 53 18480 1 . SER 54 54 18480 1 . LEU 55 55 18480 1 . ALA 56 56 18480 1 . ALA 57 57 18480 1 . GLN 58 58 18480 1 . GLY 59 59 18480 1 . ARG 60 60 18480 1 . THR 61 61 18480 1 . SER 62 62 18480 1 . PRO 63 63 18480 1 . ASN 64 64 18480 1 . LYS 65 65 18480 1 . LEU 66 66 18480 1 . GLN 67 67 18480 1 . ALA 68 68 18480 1 . LEU 69 69 18480 1 . ASN 70 70 18480 1 . MET 71 71 18480 1 . ALA 72 72 18480 1 . PHE 73 73 18480 1 . ALA 74 74 18480 1 . SER 75 75 18480 1 . SER 76 76 18480 1 . MET 77 77 18480 1 . ALA 78 78 18480 1 . GLU 79 79 18480 1 . ILE 80 80 18480 1 . ALA 81 81 18480 1 . ALA 82 82 18480 1 . SER 83 83 18480 1 . GLU 84 84 18480 1 . GLU 85 85 18480 1 . GLY 86 86 18480 1 . GLY 87 87 18480 1 . GLY 88 88 18480 1 . SER 89 89 18480 1 . LEU 90 90 18480 1 . SER 91 91 18480 1 . THR 92 92 18480 1 . LYS 93 93 18480 1 . THR 94 94 18480 1 . SER 95 95 18480 1 . SER 96 96 18480 1 . ILE 97 97 18480 1 . ALA 98 98 18480 1 . SER 99 99 18480 1 . ALA 100 100 18480 1 . MET 101 101 18480 1 . SER 102 102 18480 1 . ASN 103 103 18480 1 . ALA 104 104 18480 1 . PHE 105 105 18480 1 . LEU 106 106 18480 1 . GLN 107 107 18480 1 . THR 108 108 18480 1 . THR 109 109 18480 1 . GLY 110 110 18480 1 . VAL 111 111 18480 1 . VAL 112 112 18480 1 . ASN 113 113 18480 1 . GLN 114 114 18480 1 . PRO 115 115 18480 1 . PHE 116 116 18480 1 . ILE 117 117 18480 1 . ASN 118 118 18480 1 . GLU 119 119 18480 1 . ILE 120 120 18480 1 . THR 121 121 18480 1 . GLN 122 122 18480 1 . LEU 123 123 18480 1 . VAL 124 124 18480 1 . SER 125 125 18480 1 . MET 126 126 18480 1 . PHE 127 127 18480 1 . ALA 128 128 18480 1 . GLN 129 129 18480 1 . ALA 130 130 18480 1 . GLY 131 131 18480 1 . MET 132 132 18480 1 . ASN 133 133 18480 1 . ASP 134 134 18480 1 . VAL 135 135 18480 1 . SER 136 136 18480 1 . ALA 137 137 18480 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 18480 _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 $Major_ampullate_spidroin_1 . 332052 organism . 'Euprosthenops australis' spider . . Eukaryota Metazoa Euprosthenops australis . . . . . . . . . . . . . . . . masp1 . . . . 18480 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 18480 _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 $Major_ampullate_spidroin_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'not applicable' . . . ; The plasmid for expression (pHisTrxHisNT) encodes a His6 tag, thioredoxin, another His6 tag, a thrombin cleavage site, and finally the N-terminal domain (NT) to be analysed. ; . . 18480 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18480 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Major ampullate spidroin 1' '[U-99% 13C; U-99% 15N]' . . 1 $Major_ampullate_spidroin_1 . . 1.5 . . mM . . . . 18480 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18480 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 18480 1 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 18480 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 18480 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18480 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18480 _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 'ionic strength' 0.04 . M 18480 1 pH 5.5 . pH 18480 1 pressure 1 . atm 18480 1 temperature 298 . K 18480 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18480 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18480 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18480 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18480 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18480 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18480 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18480 _Software.ID 3 _Software.Name VNMRJ _Software.Version 2.1b _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18480 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18480 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18480 _Software.ID 4 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18480 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18480 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18480 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18480 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18480 5 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18480 _Software.ID 6 _Software.Name UNIO _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann, F. Fiorito, J. Volk' . . 18480 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18480 6 'peak picking' 18480 6 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 18480 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18480 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18480 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 18480 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18480 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18480 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18480 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18480 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18480 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18480 _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 water protons . . . . ppm 4.755 internal indirect 0.251449530 . . . . . . . . . 18480 1 H 1 water protons . . . . ppm 4.755 internal direct 1 . . . . . . . . . 18480 1 N 15 water protons . . . . ppm 4.755 internal indirect 0.101329118 . . . . . . . . . 18480 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 18480 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18480 1 2 '3D HNCA' . . . 18480 1 3 '3D 1H-13C NOESY aliphatic' . . . 18480 1 4 '3D 1H-13C NOESY aromatic' . . . 18480 1 5 '3D 1H-15N NOESY' . . . 18480 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY H H 1 8.591 0.020 . 1 . . . A 3 GLY H . 18480 1 2 . 1 1 3 3 GLY HA2 H 1 3.959 0.020 . 1 . . . A 3 GLY HA2 . 18480 1 3 . 1 1 3 3 GLY HA3 H 1 3.959 0.020 . 1 . . . A 3 GLY HA3 . 18480 1 4 . 1 1 3 3 GLY CA C 13 45.476 0.3 . 1 . . . A 3 GLY CA . 18480 1 5 . 1 1 3 3 GLY N N 15 110.996 0.3 . 1 . . . A 3 GLY N . 18480 1 6 . 1 1 4 4 ASN H H 1 8.318 0.020 . 1 . . . A 4 ASN H . 18480 1 7 . 1 1 4 4 ASN HA H 1 4.728 0.020 . 1 . . . A 4 ASN HA . 18480 1 8 . 1 1 4 4 ASN HB2 H 1 2.727 0.020 . 2 . . . A 4 ASN HB2 . 18480 1 9 . 1 1 4 4 ASN HB3 H 1 2.797 0.020 . 2 . . . A 4 ASN HB3 . 18480 1 10 . 1 1 4 4 ASN HD21 H 1 6.915 0.020 . 1 . . . A 4 ASN HD21 . 18480 1 11 . 1 1 4 4 ASN HD22 H 1 7.575 0.020 . 1 . . . A 4 ASN HD22 . 18480 1 12 . 1 1 4 4 ASN CA C 13 53.170 0.3 . 1 . . . A 4 ASN CA . 18480 1 13 . 1 1 4 4 ASN CB C 13 39.064 0.3 . 1 . . . A 4 ASN CB . 18480 1 14 . 1 1 4 4 ASN N N 15 118.637 0.3 . 1 . . . A 4 ASN N . 18480 1 15 . 1 1 4 4 ASN ND2 N 15 112.736 0.3 . 1 . . . A 4 ASN ND2 . 18480 1 16 . 1 1 5 5 SER H H 1 8.280 0.020 . 1 . . . A 5 SER H . 18480 1 17 . 1 1 5 5 SER HA H 1 4.352 0.020 . 1 . . . A 5 SER HA . 18480 1 18 . 1 1 5 5 SER HB2 H 1 3.797 0.020 . 1 . . . A 5 SER HB2 . 18480 1 19 . 1 1 5 5 SER HB3 H 1 3.797 0.020 . 1 . . . A 5 SER HB3 . 18480 1 20 . 1 1 5 5 SER CA C 13 58.593 0.3 . 1 . . . A 5 SER CA . 18480 1 21 . 1 1 5 5 SER CB C 13 63.633 0.3 . 1 . . . A 5 SER CB . 18480 1 22 . 1 1 5 5 SER N N 15 116.285 0.3 . 1 . . . A 5 SER N . 18480 1 23 . 1 1 6 6 HIS H H 1 8.460 0.020 . 1 . . . A 6 HIS H . 18480 1 24 . 1 1 6 6 HIS HA H 1 4.738 0.020 . 1 . . . A 6 HIS HA . 18480 1 25 . 1 1 6 6 HIS HB2 H 1 3.126 0.020 . 2 . . . A 6 HIS HB2 . 18480 1 26 . 1 1 6 6 HIS HB3 H 1 3.240 0.020 . 2 . . . A 6 HIS HB3 . 18480 1 27 . 1 1 6 6 HIS HD2 H 1 7.224 0.020 . 1 . . . A 6 HIS HD2 . 18480 1 28 . 1 1 6 6 HIS HE1 H 1 8.467 0.020 . 1 . . . A 6 HIS HE1 . 18480 1 29 . 1 1 6 6 HIS CA C 13 55.344 0.3 . 1 . . . A 6 HIS CA . 18480 1 30 . 1 1 6 6 HIS CB C 13 29.328 0.3 . 1 . . . A 6 HIS CB . 18480 1 31 . 1 1 6 6 HIS CD2 C 13 120.320 0.3 . 1 . . . A 6 HIS CD2 . 18480 1 32 . 1 1 6 6 HIS CE1 C 13 136.790 0.3 . 1 . . . A 6 HIS CE1 . 18480 1 33 . 1 1 6 6 HIS N N 15 119.777 0.3 . 1 . . . A 6 HIS N . 18480 1 34 . 1 1 7 7 THR H H 1 8.202 0.020 . 1 . . . A 7 THR H . 18480 1 35 . 1 1 7 7 THR HA H 1 4.217 0.020 . 1 . . . A 7 THR HA . 18480 1 36 . 1 1 7 7 THR HB H 1 4.054 0.020 . 1 . . . A 7 THR HB . 18480 1 37 . 1 1 7 7 THR HG21 H 1 1.124 0.020 . 1 . . . A 7 THR HG21 . 18480 1 38 . 1 1 7 7 THR HG22 H 1 1.124 0.020 . 1 . . . A 7 THR HG22 . 18480 1 39 . 1 1 7 7 THR HG23 H 1 1.124 0.020 . 1 . . . A 7 THR HG23 . 18480 1 40 . 1 1 7 7 THR C C 13 173.970 0.3 . 1 . . . A 7 THR C . 18480 1 41 . 1 1 7 7 THR CA C 13 62.118 0.3 . 1 . . . A 7 THR CA . 18480 1 42 . 1 1 7 7 THR CB C 13 69.871 0.3 . 1 . . . A 7 THR CB . 18480 1 43 . 1 1 7 7 THR CG2 C 13 22.354 0.3 . 1 . . . A 7 THR CG2 . 18480 1 44 . 1 1 7 7 THR N N 15 115.111 0.3 . 1 . . . A 7 THR N . 18480 1 45 . 1 1 8 8 THR H H 1 8.113 0.020 . 1 . . . A 8 THR H . 18480 1 46 . 1 1 8 8 THR HA H 1 4.439 0.020 . 1 . . . A 8 THR HA . 18480 1 47 . 1 1 8 8 THR HB H 1 2.573 0.020 . 1 . . . A 8 THR HB . 18480 1 48 . 1 1 8 8 THR HG21 H 1 0.768 0.020 . 1 . . . A 8 THR HG21 . 18480 1 49 . 1 1 8 8 THR HG22 H 1 0.768 0.020 . 1 . . . A 8 THR HG22 . 18480 1 50 . 1 1 8 8 THR HG23 H 1 0.768 0.020 . 1 . . . A 8 THR HG23 . 18480 1 51 . 1 1 8 8 THR C C 13 172.664 0.3 . 1 . . . A 8 THR C . 18480 1 52 . 1 1 8 8 THR CA C 13 58.847 0.3 . 1 . . . A 8 THR CA . 18480 1 53 . 1 1 8 8 THR CB C 13 69.808 0.3 . 1 . . . A 8 THR CB . 18480 1 54 . 1 1 8 8 THR CG2 C 13 20.891 0.3 . 1 . . . A 8 THR CG2 . 18480 1 55 . 1 1 8 8 THR N N 15 113.695 0.3 . 1 . . . A 8 THR N . 18480 1 56 . 1 1 9 9 PRO HA H 1 3.965 0.020 . 1 . . . A 9 PRO HA . 18480 1 57 . 1 1 9 9 PRO HB2 H 1 1.236 0.020 . 2 . . . A 9 PRO HB2 . 18480 1 58 . 1 1 9 9 PRO HB3 H 1 1.716 0.020 . 2 . . . A 9 PRO HB3 . 18480 1 59 . 1 1 9 9 PRO HG2 H 1 0.933 0.020 . 2 . . . A 9 PRO HG2 . 18480 1 60 . 1 1 9 9 PRO HG3 H 1 0.644 0.020 . 2 . . . A 9 PRO HG3 . 18480 1 61 . 1 1 9 9 PRO HD2 H 1 2.297 0.020 . 2 . . . A 9 PRO HD2 . 18480 1 62 . 1 1 9 9 PRO HD3 H 1 3.223 0.020 . 2 . . . A 9 PRO HD3 . 18480 1 63 . 1 1 9 9 PRO CA C 13 63.436 0.3 . 1 . . . A 9 PRO CA . 18480 1 64 . 1 1 9 9 PRO CB C 13 31.171 0.3 . 1 . . . A 9 PRO CB . 18480 1 65 . 1 1 9 9 PRO CG C 13 27.735 0.3 . 1 . . . A 9 PRO CG . 18480 1 66 . 1 1 9 9 PRO CD C 13 50.091 0.3 . 1 . . . A 9 PRO CD . 18480 1 67 . 1 1 10 10 TRP H H 1 6.511 0.020 . 1 . . . A 10 TRP H . 18480 1 68 . 1 1 10 10 TRP HA H 1 4.589 0.020 . 1 . . . A 10 TRP HA . 18480 1 69 . 1 1 10 10 TRP HB2 H 1 2.594 0.020 . 2 . . . A 10 TRP HB2 . 18480 1 70 . 1 1 10 10 TRP HB3 H 1 3.595 0.020 . 2 . . . A 10 TRP HB3 . 18480 1 71 . 1 1 10 10 TRP HD1 H 1 6.860 0.020 . 1 . . . A 10 TRP HD1 . 18480 1 72 . 1 1 10 10 TRP HE1 H 1 10.153 0.020 . 1 . . . A 10 TRP HE1 . 18480 1 73 . 1 1 10 10 TRP HE3 H 1 6.960 0.020 . 1 . . . A 10 TRP HE3 . 18480 1 74 . 1 1 10 10 TRP HZ2 H 1 7.229 0.020 . 1 . . . A 10 TRP HZ2 . 18480 1 75 . 1 1 10 10 TRP HZ3 H 1 6.290 0.020 . 1 . . . A 10 TRP HZ3 . 18480 1 76 . 1 1 10 10 TRP HH2 H 1 6.630 0.020 . 1 . . . A 10 TRP HH2 . 18480 1 77 . 1 1 10 10 TRP C C 13 175.817 0.3 . 1 . . . A 10 TRP C . 18480 1 78 . 1 1 10 10 TRP CA C 13 55.172 0.3 . 1 . . . A 10 TRP CA . 18480 1 79 . 1 1 10 10 TRP CB C 13 26.975 0.3 . 1 . . . A 10 TRP CB . 18480 1 80 . 1 1 10 10 TRP CD1 C 13 127.589 0.3 . 1 . . . A 10 TRP CD1 . 18480 1 81 . 1 1 10 10 TRP CE3 C 13 120.054 0.3 . 1 . . . A 10 TRP CE3 . 18480 1 82 . 1 1 10 10 TRP CZ2 C 13 114.936 0.3 . 1 . . . A 10 TRP CZ2 . 18480 1 83 . 1 1 10 10 TRP CZ3 C 13 121.194 0.3 . 1 . . . A 10 TRP CZ3 . 18480 1 84 . 1 1 10 10 TRP CH2 C 13 123.818 0.3 . 1 . . . A 10 TRP CH2 . 18480 1 85 . 1 1 10 10 TRP N N 15 108.872 0.3 . 1 . . . A 10 TRP N . 18480 1 86 . 1 1 10 10 TRP NE1 N 15 131.321 0.3 . 1 . . . A 10 TRP NE1 . 18480 1 87 . 1 1 11 11 THR H H 1 7.310 0.020 . 1 . . . A 11 THR H . 18480 1 88 . 1 1 11 11 THR HA H 1 3.899 0.020 . 1 . . . A 11 THR HA . 18480 1 89 . 1 1 11 11 THR HB H 1 4.096 0.020 . 1 . . . A 11 THR HB . 18480 1 90 . 1 1 11 11 THR HG21 H 1 1.224 0.020 . 1 . . . A 11 THR HG21 . 18480 1 91 . 1 1 11 11 THR HG22 H 1 1.224 0.020 . 1 . . . A 11 THR HG22 . 18480 1 92 . 1 1 11 11 THR HG23 H 1 1.224 0.020 . 1 . . . A 11 THR HG23 . 18480 1 93 . 1 1 11 11 THR C C 13 173.970 0.3 . 1 . . . A 11 THR C . 18480 1 94 . 1 1 11 11 THR CA C 13 65.731 0.3 . 1 . . . A 11 THR CA . 18480 1 95 . 1 1 11 11 THR CB C 13 69.609 0.3 . 1 . . . A 11 THR CB . 18480 1 96 . 1 1 11 11 THR CG2 C 13 21.963 0.3 . 1 . . . A 11 THR CG2 . 18480 1 97 . 1 1 11 11 THR N N 15 113.736 0.3 . 1 . . . A 11 THR N . 18480 1 98 . 1 1 12 12 ASN H H 1 7.234 0.020 . 1 . . . A 12 ASN H . 18480 1 99 . 1 1 12 12 ASN HA H 1 4.672 0.020 . 1 . . . A 12 ASN HA . 18480 1 100 . 1 1 12 12 ASN HB2 H 1 2.920 0.020 . 1 . . . A 12 ASN HB2 . 18480 1 101 . 1 1 12 12 ASN HB3 H 1 2.920 0.020 . 1 . . . A 12 ASN HB3 . 18480 1 102 . 1 1 12 12 ASN HD21 H 1 6.889 0.020 . 1 . . . A 12 ASN HD21 . 18480 1 103 . 1 1 12 12 ASN HD22 H 1 7.754 0.020 . 1 . . . A 12 ASN HD22 . 18480 1 104 . 1 1 12 12 ASN C C 13 172.889 0.3 . 1 . . . A 12 ASN C . 18480 1 105 . 1 1 12 12 ASN CA C 13 52.128 0.3 . 1 . . . A 12 ASN CA . 18480 1 106 . 1 1 12 12 ASN CB C 13 38.699 0.3 . 1 . . . A 12 ASN CB . 18480 1 107 . 1 1 12 12 ASN N N 15 112.814 0.3 . 1 . . . A 12 ASN N . 18480 1 108 . 1 1 12 12 ASN ND2 N 15 115.575 0.3 . 1 . . . A 12 ASN ND2 . 18480 1 109 . 1 1 13 13 PRO HA H 1 4.082 0.020 . 1 . . . A 13 PRO HA . 18480 1 110 . 1 1 13 13 PRO HB2 H 1 1.984 0.020 . 2 . . . A 13 PRO HB2 . 18480 1 111 . 1 1 13 13 PRO HB3 H 1 2.113 0.020 . 2 . . . A 13 PRO HB3 . 18480 1 112 . 1 1 13 13 PRO HG2 H 1 1.907 0.020 . 2 . . . A 13 PRO HG2 . 18480 1 113 . 1 1 13 13 PRO HG3 H 1 2.236 0.020 . 2 . . . A 13 PRO HG3 . 18480 1 114 . 1 1 13 13 PRO HD2 H 1 3.691 0.020 . 2 . . . A 13 PRO HD2 . 18480 1 115 . 1 1 13 13 PRO HD3 H 1 3.893 0.020 . 2 . . . A 13 PRO HD3 . 18480 1 116 . 1 1 13 13 PRO CA C 13 65.642 0.3 . 1 . . . A 13 PRO CA . 18480 1 117 . 1 1 13 13 PRO CB C 13 32.053 0.3 . 1 . . . A 13 PRO CB . 18480 1 118 . 1 1 13 13 PRO CG C 13 28.409 0.3 . 1 . . . A 13 PRO CG . 18480 1 119 . 1 1 13 13 PRO CD C 13 50.955 0.3 . 1 . . . A 13 PRO CD . 18480 1 120 . 1 1 14 14 GLY H H 1 8.288 0.020 . 1 . . . A 14 GLY H . 18480 1 121 . 1 1 14 14 GLY HA2 H 1 3.758 0.020 . 1 . . . A 14 GLY HA2 . 18480 1 122 . 1 1 14 14 GLY HA3 H 1 3.758 0.020 . 1 . . . A 14 GLY HA3 . 18480 1 123 . 1 1 14 14 GLY C C 13 175.952 0.3 . 1 . . . A 14 GLY C . 18480 1 124 . 1 1 14 14 GLY CA C 13 47.190 0.3 . 1 . . . A 14 GLY CA . 18480 1 125 . 1 1 14 14 GLY N N 15 107.424 0.3 . 1 . . . A 14 GLY N . 18480 1 126 . 1 1 15 15 LEU H H 1 7.956 0.020 . 1 . . . A 15 LEU H . 18480 1 127 . 1 1 15 15 LEU HA H 1 4.030 0.020 . 1 . . . A 15 LEU HA . 18480 1 128 . 1 1 15 15 LEU HB2 H 1 1.259 0.020 . 2 . . . A 15 LEU HB2 . 18480 1 129 . 1 1 15 15 LEU HB3 H 1 1.681 0.020 . 2 . . . A 15 LEU HB3 . 18480 1 130 . 1 1 15 15 LEU HG H 1 1.699 0.020 . 1 . . . A 15 LEU HG . 18480 1 131 . 1 1 15 15 LEU HD11 H 1 0.790 0.020 . 2 . . . A 15 LEU HD11 . 18480 1 132 . 1 1 15 15 LEU HD12 H 1 0.790 0.020 . 2 . . . A 15 LEU HD12 . 18480 1 133 . 1 1 15 15 LEU HD13 H 1 0.790 0.020 . 2 . . . A 15 LEU HD13 . 18480 1 134 . 1 1 15 15 LEU HD21 H 1 0.844 0.020 . 2 . . . A 15 LEU HD21 . 18480 1 135 . 1 1 15 15 LEU HD22 H 1 0.844 0.020 . 2 . . . A 15 LEU HD22 . 18480 1 136 . 1 1 15 15 LEU HD23 H 1 0.844 0.020 . 2 . . . A 15 LEU HD23 . 18480 1 137 . 1 1 15 15 LEU C C 13 178.564 0.3 . 1 . . . A 15 LEU C . 18480 1 138 . 1 1 15 15 LEU CA C 13 57.876 0.3 . 1 . . . A 15 LEU CA . 18480 1 139 . 1 1 15 15 LEU CB C 13 42.316 0.3 . 1 . . . A 15 LEU CB . 18480 1 140 . 1 1 15 15 LEU CG C 13 27.254 0.3 . 1 . . . A 15 LEU CG . 18480 1 141 . 1 1 15 15 LEU CD1 C 13 23.653 0.3 . 1 . . . A 15 LEU CD1 . 18480 1 142 . 1 1 15 15 LEU CD2 C 13 26.045 0.3 . 1 . . . A 15 LEU CD2 . 18480 1 143 . 1 1 15 15 LEU N N 15 122.906 0.3 . 1 . . . A 15 LEU N . 18480 1 144 . 1 1 16 16 ALA H H 1 7.598 0.020 . 1 . . . A 16 ALA H . 18480 1 145 . 1 1 16 16 ALA HA H 1 4.105 0.020 . 1 . . . A 16 ALA HA . 18480 1 146 . 1 1 16 16 ALA HB1 H 1 1.575 0.020 . 1 . . . A 16 ALA HB1 . 18480 1 147 . 1 1 16 16 ALA HB2 H 1 1.575 0.020 . 1 . . . A 16 ALA HB2 . 18480 1 148 . 1 1 16 16 ALA HB3 H 1 1.575 0.020 . 1 . . . A 16 ALA HB3 . 18480 1 149 . 1 1 16 16 ALA C C 13 179.104 0.3 . 1 . . . A 16 ALA C . 18480 1 150 . 1 1 16 16 ALA CA C 13 55.980 0.3 . 1 . . . A 16 ALA CA . 18480 1 151 . 1 1 16 16 ALA CB C 13 19.135 0.3 . 1 . . . A 16 ALA CB . 18480 1 152 . 1 1 16 16 ALA N N 15 122.949 0.3 . 1 . . . A 16 ALA N . 18480 1 153 . 1 1 17 17 GLU H H 1 8.097 0.020 . 1 . . . A 17 GLU H . 18480 1 154 . 1 1 17 17 GLU HA H 1 3.820 0.020 . 1 . . . A 17 GLU HA . 18480 1 155 . 1 1 17 17 GLU HB2 H 1 2.094 0.020 . 2 . . . A 17 GLU HB2 . 18480 1 156 . 1 1 17 17 GLU HB3 H 1 2.205 0.020 . 2 . . . A 17 GLU HB3 . 18480 1 157 . 1 1 17 17 GLU HG2 H 1 2.229 0.020 . 2 . . . A 17 GLU HG2 . 18480 1 158 . 1 1 17 17 GLU HG3 H 1 2.545 0.020 . 2 . . . A 17 GLU HG3 . 18480 1 159 . 1 1 17 17 GLU C C 13 177.993 0.3 . 1 . . . A 17 GLU C . 18480 1 160 . 1 1 17 17 GLU CA C 13 59.049 0.3 . 1 . . . A 17 GLU CA . 18480 1 161 . 1 1 17 17 GLU CB C 13 28.721 0.3 . 1 . . . A 17 GLU CB . 18480 1 162 . 1 1 17 17 GLU CG C 13 34.468 0.3 . 1 . . . A 17 GLU CG . 18480 1 163 . 1 1 17 17 GLU N N 15 116.632 0.3 . 1 . . . A 17 GLU N . 18480 1 164 . 1 1 18 18 ASN H H 1 8.196 0.020 . 1 . . . A 18 ASN H . 18480 1 165 . 1 1 18 18 ASN HA H 1 4.427 0.020 . 1 . . . A 18 ASN HA . 18480 1 166 . 1 1 18 18 ASN HB2 H 1 2.918 0.020 . 1 . . . A 18 ASN HB2 . 18480 1 167 . 1 1 18 18 ASN HB3 H 1 2.918 0.020 . 1 . . . A 18 ASN HB3 . 18480 1 168 . 1 1 18 18 ASN HD21 H 1 6.819 0.020 . 1 . . . A 18 ASN HD21 . 18480 1 169 . 1 1 18 18 ASN HD22 H 1 7.400 0.020 . 1 . . . A 18 ASN HD22 . 18480 1 170 . 1 1 18 18 ASN C C 13 178.347 0.3 . 1 . . . A 18 ASN C . 18480 1 171 . 1 1 18 18 ASN CA C 13 56.094 0.3 . 1 . . . A 18 ASN CA . 18480 1 172 . 1 1 18 18 ASN CB C 13 38.124 0.3 . 1 . . . A 18 ASN CB . 18480 1 173 . 1 1 18 18 ASN N N 15 117.645 0.3 . 1 . . . A 18 ASN N . 18480 1 174 . 1 1 18 18 ASN ND2 N 15 110.794 0.3 . 1 . . . A 18 ASN ND2 . 18480 1 175 . 1 1 19 19 PHE H H 1 8.868 0.020 . 1 . . . A 19 PHE H . 18480 1 176 . 1 1 19 19 PHE HA H 1 3.951 0.020 . 1 . . . A 19 PHE HA . 18480 1 177 . 1 1 19 19 PHE HB2 H 1 3.055 0.020 . 2 . . . A 19 PHE HB2 . 18480 1 178 . 1 1 19 19 PHE HB3 H 1 3.231 0.020 . 2 . . . A 19 PHE HB3 . 18480 1 179 . 1 1 19 19 PHE HD1 H 1 6.741 0.020 . 1 . . . A 19 PHE HD1 . 18480 1 180 . 1 1 19 19 PHE HD2 H 1 6.741 0.020 . 1 . . . A 19 PHE HD2 . 18480 1 181 . 1 1 19 19 PHE HE1 H 1 6.498 0.020 . 1 . . . A 19 PHE HE1 . 18480 1 182 . 1 1 19 19 PHE HE2 H 1 6.498 0.020 . 1 . . . A 19 PHE HE2 . 18480 1 183 . 1 1 19 19 PHE HZ H 1 6.817 0.020 . 1 . . . A 19 PHE HZ . 18480 1 184 . 1 1 19 19 PHE C C 13 176.837 0.3 . 1 . . . A 19 PHE C . 18480 1 185 . 1 1 19 19 PHE CA C 13 61.897 0.3 . 1 . . . A 19 PHE CA . 18480 1 186 . 1 1 19 19 PHE CB C 13 39.729 0.3 . 1 . . . A 19 PHE CB . 18480 1 187 . 1 1 19 19 PHE CD1 C 13 132.056 0.3 . 1 . . . A 19 PHE CD1 . 18480 1 188 . 1 1 19 19 PHE CD2 C 13 131.874 0.3 . 1 . . . A 19 PHE CD2 . 18480 1 189 . 1 1 19 19 PHE CE1 C 13 130.678 0.3 . 1 . . . A 19 PHE CE1 . 18480 1 190 . 1 1 19 19 PHE CE2 C 13 130.676 0.3 . 1 . . . A 19 PHE CE2 . 18480 1 191 . 1 1 19 19 PHE CZ C 13 129.924 0.3 . 1 . . . A 19 PHE CZ . 18480 1 192 . 1 1 19 19 PHE N N 15 123.188 0.3 . 1 . . . A 19 PHE N . 18480 1 193 . 1 1 20 20 MET H H 1 7.644 0.020 . 1 . . . A 20 MET H . 18480 1 194 . 1 1 20 20 MET HA H 1 3.303 0.020 . 1 . . . A 20 MET HA . 18480 1 195 . 1 1 20 20 MET HB2 H 1 2.513 0.020 . 2 . . . A 20 MET HB2 . 18480 1 196 . 1 1 20 20 MET HB3 H 1 0.669 0.020 . 2 . . . A 20 MET HB3 . 18480 1 197 . 1 1 20 20 MET HG2 H 1 1.736 0.020 . 2 . . . A 20 MET HG2 . 18480 1 198 . 1 1 20 20 MET HG3 H 1 1.115 0.020 . 2 . . . A 20 MET HG3 . 18480 1 199 . 1 1 20 20 MET HE1 H 1 1.704 0.020 . 1 . . . A 20 MET HE1 . 18480 1 200 . 1 1 20 20 MET HE2 H 1 1.704 0.020 . 1 . . . A 20 MET HE2 . 18480 1 201 . 1 1 20 20 MET HE3 H 1 1.704 0.020 . 1 . . . A 20 MET HE3 . 18480 1 202 . 1 1 20 20 MET C C 13 178.924 0.3 . 1 . . . A 20 MET C . 18480 1 203 . 1 1 20 20 MET CA C 13 60.043 0.3 . 1 . . . A 20 MET CA . 18480 1 204 . 1 1 20 20 MET CB C 13 33.527 0.3 . 1 . . . A 20 MET CB . 18480 1 205 . 1 1 20 20 MET CG C 13 32.156 0.3 . 1 . . . A 20 MET CG . 18480 1 206 . 1 1 20 20 MET CE C 13 18.975 0.3 . 1 . . . A 20 MET CE . 18480 1 207 . 1 1 20 20 MET N N 15 118.140 0.3 . 1 . . . A 20 MET N . 18480 1 208 . 1 1 21 21 ASN H H 1 8.169 0.020 . 1 . . . A 21 ASN H . 18480 1 209 . 1 1 21 21 ASN HA H 1 4.453 0.020 . 1 . . . A 21 ASN HA . 18480 1 210 . 1 1 21 21 ASN HB2 H 1 2.695 0.020 . 2 . . . A 21 ASN HB2 . 18480 1 211 . 1 1 21 21 ASN HB3 H 1 2.774 0.020 . 2 . . . A 21 ASN HB3 . 18480 1 212 . 1 1 21 21 ASN HD21 H 1 6.786 0.020 . 1 . . . A 21 ASN HD21 . 18480 1 213 . 1 1 21 21 ASN HD22 H 1 7.499 0.020 . 1 . . . A 21 ASN HD22 . 18480 1 214 . 1 1 21 21 ASN C C 13 178.249 0.3 . 1 . . . A 21 ASN C . 18480 1 215 . 1 1 21 21 ASN CA C 13 55.949 0.3 . 1 . . . A 21 ASN CA . 18480 1 216 . 1 1 21 21 ASN CB C 13 38.097 0.3 . 1 . . . A 21 ASN CB . 18480 1 217 . 1 1 21 21 ASN N N 15 116.213 0.3 . 1 . . . A 21 ASN N . 18480 1 218 . 1 1 21 21 ASN ND2 N 15 111.363 0.3 . 1 . . . A 21 ASN ND2 . 18480 1 219 . 1 1 22 22 SER H H 1 8.650 0.020 . 1 . . . A 22 SER H . 18480 1 220 . 1 1 22 22 SER HA H 1 4.152 0.020 . 1 . . . A 22 SER HA . 18480 1 221 . 1 1 22 22 SER HB2 H 1 3.745 0.020 . 2 . . . A 22 SER HB2 . 18480 1 222 . 1 1 22 22 SER HB3 H 1 3.901 0.020 . 2 . . . A 22 SER HB3 . 18480 1 223 . 1 1 22 22 SER C C 13 178.143 0.3 . 1 . . . A 22 SER C . 18480 1 224 . 1 1 22 22 SER CA C 13 62.154 0.3 . 1 . . . A 22 SER CA . 18480 1 225 . 1 1 22 22 SER CB C 13 62.709 0.3 . 1 . . . A 22 SER CB . 18480 1 226 . 1 1 22 22 SER N N 15 117.086 0.3 . 1 . . . A 22 SER N . 18480 1 227 . 1 1 23 23 PHE H H 1 8.394 0.020 . 1 . . . A 23 PHE H . 18480 1 228 . 1 1 23 23 PHE HA H 1 3.868 0.020 . 1 . . . A 23 PHE HA . 18480 1 229 . 1 1 23 23 PHE HB2 H 1 2.624 0.020 . 2 . . . A 23 PHE HB2 . 18480 1 230 . 1 1 23 23 PHE HB3 H 1 3.278 0.020 . 2 . . . A 23 PHE HB3 . 18480 1 231 . 1 1 23 23 PHE HD1 H 1 7.032 0.020 . 1 . . . A 23 PHE HD1 . 18480 1 232 . 1 1 23 23 PHE HD2 H 1 7.032 0.020 . 1 . . . A 23 PHE HD2 . 18480 1 233 . 1 1 23 23 PHE HE1 H 1 7.428 0.020 . 1 . . . A 23 PHE HE1 . 18480 1 234 . 1 1 23 23 PHE HE2 H 1 7.428 0.020 . 1 . . . A 23 PHE HE2 . 18480 1 235 . 1 1 23 23 PHE HZ H 1 6.919 0.020 . 1 . . . A 23 PHE HZ . 18480 1 236 . 1 1 23 23 PHE C C 13 175.652 0.3 . 1 . . . A 23 PHE C . 18480 1 237 . 1 1 23 23 PHE CA C 13 62.118 0.3 . 1 . . . A 23 PHE CA . 18480 1 238 . 1 1 23 23 PHE CB C 13 38.250 0.3 . 1 . . . A 23 PHE CB . 18480 1 239 . 1 1 23 23 PHE CD1 C 13 132.398 0.3 . 1 . . . A 23 PHE CD1 . 18480 1 240 . 1 1 23 23 PHE CD2 C 13 132.218 0.3 . 1 . . . A 23 PHE CD2 . 18480 1 241 . 1 1 23 23 PHE CE1 C 13 131.675 0.3 . 1 . . . A 23 PHE CE1 . 18480 1 242 . 1 1 23 23 PHE CE2 C 13 131.675 0.3 . 1 . . . A 23 PHE CE2 . 18480 1 243 . 1 1 23 23 PHE CZ C 13 128.616 0.3 . 1 . . . A 23 PHE CZ . 18480 1 244 . 1 1 23 23 PHE N N 15 124.044 0.3 . 1 . . . A 23 PHE N . 18480 1 245 . 1 1 24 24 MET H H 1 7.781 0.020 . 1 . . . A 24 MET H . 18480 1 246 . 1 1 24 24 MET HA H 1 4.177 0.020 . 1 . . . A 24 MET HA . 18480 1 247 . 1 1 24 24 MET HB2 H 1 2.103 0.020 . 2 . . . A 24 MET HB2 . 18480 1 248 . 1 1 24 24 MET HB3 H 1 2.232 0.020 . 2 . . . A 24 MET HB3 . 18480 1 249 . 1 1 24 24 MET HG2 H 1 2.639 0.020 . 2 . . . A 24 MET HG2 . 18480 1 250 . 1 1 24 24 MET HG3 H 1 2.768 0.020 . 2 . . . A 24 MET HG3 . 18480 1 251 . 1 1 24 24 MET HE1 H 1 1.981 0.020 . 1 . . . A 24 MET HE1 . 18480 1 252 . 1 1 24 24 MET HE2 H 1 1.981 0.020 . 1 . . . A 24 MET HE2 . 18480 1 253 . 1 1 24 24 MET HE3 H 1 1.981 0.020 . 1 . . . A 24 MET HE3 . 18480 1 254 . 1 1 24 24 MET C C 13 179.797 0.3 . 1 . . . A 24 MET C . 18480 1 255 . 1 1 24 24 MET CA C 13 56.498 0.3 . 1 . . . A 24 MET CA . 18480 1 256 . 1 1 24 24 MET CB C 13 31.903 0.3 . 1 . . . A 24 MET CB . 18480 1 257 . 1 1 24 24 MET CG C 13 31.520 0.3 . 1 . . . A 24 MET CG . 18480 1 258 . 1 1 24 24 MET CE C 13 16.769 0.3 . 1 . . . A 24 MET CE . 18480 1 259 . 1 1 24 24 MET N N 15 117.794 0.3 . 1 . . . A 24 MET N . 18480 1 260 . 1 1 25 25 GLN H H 1 8.233 0.020 . 1 . . . A 25 GLN H . 18480 1 261 . 1 1 25 25 GLN HA H 1 3.964 0.020 . 1 . . . A 25 GLN HA . 18480 1 262 . 1 1 25 25 GLN HB2 H 1 2.072 0.020 . 1 . . . A 25 GLN HB2 . 18480 1 263 . 1 1 25 25 GLN HB3 H 1 2.072 0.020 . 1 . . . A 25 GLN HB3 . 18480 1 264 . 1 1 25 25 GLN HG2 H 1 2.338 0.020 . 2 . . . A 25 GLN HG2 . 18480 1 265 . 1 1 25 25 GLN HG3 H 1 2.429 0.020 . 2 . . . A 25 GLN HG3 . 18480 1 266 . 1 1 25 25 GLN HE21 H 1 6.806 0.020 . 1 . . . A 25 GLN HE21 . 18480 1 267 . 1 1 25 25 GLN HE22 H 1 7.366 0.020 . 1 . . . A 25 GLN HE22 . 18480 1 268 . 1 1 25 25 GLN C C 13 179.870 0.3 . 1 . . . A 25 GLN C . 18480 1 269 . 1 1 25 25 GLN CA C 13 58.748 0.3 . 1 . . . A 25 GLN CA . 18480 1 270 . 1 1 25 25 GLN CB C 13 28.384 0.3 . 1 . . . A 25 GLN CB . 18480 1 271 . 1 1 25 25 GLN CG C 13 33.767 0.3 . 1 . . . A 25 GLN CG . 18480 1 272 . 1 1 25 25 GLN N N 15 119.477 0.3 . 1 . . . A 25 GLN N . 18480 1 273 . 1 1 25 25 GLN NE2 N 15 111.983 0.3 . 1 . . . A 25 GLN NE2 . 18480 1 274 . 1 1 26 26 GLY H H 1 7.936 0.020 . 1 . . . A 26 GLY H . 18480 1 275 . 1 1 26 26 GLY HA2 H 1 3.829 0.020 . 2 . . . A 26 GLY HA2 . 18480 1 276 . 1 1 26 26 GLY HA3 H 1 3.946 0.020 . 2 . . . A 26 GLY HA3 . 18480 1 277 . 1 1 26 26 GLY C C 13 176.387 0.3 . 1 . . . A 26 GLY C . 18480 1 278 . 1 1 26 26 GLY CA C 13 46.673 0.3 . 1 . . . A 26 GLY CA . 18480 1 279 . 1 1 26 26 GLY N N 15 107.052 0.3 . 1 . . . A 26 GLY N . 18480 1 280 . 1 1 27 27 LEU H H 1 8.157 0.020 . 1 . . . A 27 LEU H . 18480 1 281 . 1 1 27 27 LEU HA H 1 3.718 0.020 . 1 . . . A 27 LEU HA . 18480 1 282 . 1 1 27 27 LEU HB2 H 1 0.787 0.020 . 2 . . . A 27 LEU HB2 . 18480 1 283 . 1 1 27 27 LEU HB3 H 1 1.229 0.020 . 2 . . . A 27 LEU HB3 . 18480 1 284 . 1 1 27 27 LEU HG H 1 1.319 0.020 . 1 . . . A 27 LEU HG . 18480 1 285 . 1 1 27 27 LEU HD11 H 1 0.339 0.020 . 2 . . . A 27 LEU HD11 . 18480 1 286 . 1 1 27 27 LEU HD12 H 1 0.339 0.020 . 2 . . . A 27 LEU HD12 . 18480 1 287 . 1 1 27 27 LEU HD13 H 1 0.339 0.020 . 2 . . . A 27 LEU HD13 . 18480 1 288 . 1 1 27 27 LEU HD21 H 1 0.541 0.020 . 2 . . . A 27 LEU HD21 . 18480 1 289 . 1 1 27 27 LEU HD22 H 1 0.541 0.020 . 2 . . . A 27 LEU HD22 . 18480 1 290 . 1 1 27 27 LEU HD23 H 1 0.541 0.020 . 2 . . . A 27 LEU HD23 . 18480 1 291 . 1 1 27 27 LEU C C 13 178.564 0.3 . 1 . . . A 27 LEU C . 18480 1 292 . 1 1 27 27 LEU CA C 13 57.193 0.3 . 1 . . . A 27 LEU CA . 18480 1 293 . 1 1 27 27 LEU CB C 13 41.693 0.3 . 1 . . . A 27 LEU CB . 18480 1 294 . 1 1 27 27 LEU CG C 13 26.065 0.3 . 1 . . . A 27 LEU CG . 18480 1 295 . 1 1 27 27 LEU CD1 C 13 25.861 0.3 . 1 . . . A 27 LEU CD1 . 18480 1 296 . 1 1 27 27 LEU CD2 C 13 24.744 0.3 . 1 . . . A 27 LEU CD2 . 18480 1 297 . 1 1 27 27 LEU N N 15 122.471 0.3 . 1 . . . A 27 LEU N . 18480 1 298 . 1 1 28 28 SER H H 1 7.469 0.020 . 1 . . . A 28 SER H . 18480 1 299 . 1 1 28 28 SER HA H 1 4.064 0.020 . 1 . . . A 28 SER HA . 18480 1 300 . 1 1 28 28 SER HB2 H 1 3.909 0.020 . 1 . . . A 28 SER HB2 . 18480 1 301 . 1 1 28 28 SER HB3 H 1 3.909 0.020 . 1 . . . A 28 SER HB3 . 18480 1 302 . 1 1 28 28 SER C C 13 174.421 0.3 . 1 . . . A 28 SER C . 18480 1 303 . 1 1 28 28 SER CA C 13 61.444 0.3 . 1 . . . A 28 SER CA . 18480 1 304 . 1 1 28 28 SER CB C 13 63.210 0.3 . 1 . . . A 28 SER CB . 18480 1 305 . 1 1 28 28 SER N N 15 109.215 0.3 . 1 . . . A 28 SER N . 18480 1 306 . 1 1 29 29 SER H H 1 7.383 0.020 . 1 . . . A 29 SER H . 18480 1 307 . 1 1 29 29 SER HA H 1 4.667 0.020 . 1 . . . A 29 SER HA . 18480 1 308 . 1 1 29 29 SER HB2 H 1 3.891 0.020 . 2 . . . A 29 SER HB2 . 18480 1 309 . 1 1 29 29 SER HB3 H 1 3.985 0.020 . 2 . . . A 29 SER HB3 . 18480 1 310 . 1 1 29 29 SER C C 13 173.970 0.3 . 1 . . . A 29 SER C . 18480 1 311 . 1 1 29 29 SER CA C 13 57.914 0.3 . 1 . . . A 29 SER CA . 18480 1 312 . 1 1 29 29 SER CB C 13 64.359 0.3 . 1 . . . A 29 SER CB . 18480 1 313 . 1 1 29 29 SER N N 15 114.308 0.3 . 1 . . . A 29 SER N . 18480 1 314 . 1 1 30 30 MET H H 1 7.804 0.020 . 1 . . . A 30 MET H . 18480 1 315 . 1 1 30 30 MET HA H 1 4.882 0.020 . 1 . . . A 30 MET HA . 18480 1 316 . 1 1 30 30 MET HB2 H 1 2.210 0.020 . 2 . . . A 30 MET HB2 . 18480 1 317 . 1 1 30 30 MET HB3 H 1 2.365 0.020 . 2 . . . A 30 MET HB3 . 18480 1 318 . 1 1 30 30 MET HG2 H 1 2.722 0.020 . 2 . . . A 30 MET HG2 . 18480 1 319 . 1 1 30 30 MET HG3 H 1 2.822 0.020 . 2 . . . A 30 MET HG3 . 18480 1 320 . 1 1 30 30 MET HE1 H 1 1.945 0.020 . 1 . . . A 30 MET HE1 . 18480 1 321 . 1 1 30 30 MET HE2 H 1 1.945 0.020 . 1 . . . A 30 MET HE2 . 18480 1 322 . 1 1 30 30 MET HE3 H 1 1.945 0.020 . 1 . . . A 30 MET HE3 . 18480 1 323 . 1 1 30 30 MET C C 13 174.195 0.3 . 1 . . . A 30 MET C . 18480 1 324 . 1 1 30 30 MET CA C 13 53.753 0.3 . 1 . . . A 30 MET CA . 18480 1 325 . 1 1 30 30 MET CB C 13 32.013 0.3 . 1 . . . A 30 MET CB . 18480 1 326 . 1 1 30 30 MET CG C 13 33.207 0.3 . 1 . . . A 30 MET CG . 18480 1 327 . 1 1 30 30 MET CE C 13 18.039 0.3 . 1 . . . A 30 MET CE . 18480 1 328 . 1 1 30 30 MET N N 15 122.604 0.3 . 1 . . . A 30 MET N . 18480 1 329 . 1 1 31 31 PRO HA H 1 4.666 0.020 . 1 . . . A 31 PRO HA . 18480 1 330 . 1 1 31 31 PRO HB2 H 1 1.754 0.020 . 2 . . . A 31 PRO HB2 . 18480 1 331 . 1 1 31 31 PRO HB3 H 1 2.279 0.020 . 2 . . . A 31 PRO HB3 . 18480 1 332 . 1 1 31 31 PRO HG2 H 1 1.802 0.020 . 2 . . . A 31 PRO HG2 . 18480 1 333 . 1 1 31 31 PRO HG3 H 1 2.045 0.020 . 2 . . . A 31 PRO HG3 . 18480 1 334 . 1 1 31 31 PRO HD2 H 1 3.730 0.020 . 2 . . . A 31 PRO HD2 . 18480 1 335 . 1 1 31 31 PRO HD3 H 1 3.817 0.020 . 2 . . . A 31 PRO HD3 . 18480 1 336 . 1 1 31 31 PRO CA C 13 63.697 0.3 . 1 . . . A 31 PRO CA . 18480 1 337 . 1 1 31 31 PRO CB C 13 32.953 0.3 . 1 . . . A 31 PRO CB . 18480 1 338 . 1 1 31 31 PRO CG C 13 27.170 0.3 . 1 . . . A 31 PRO CG . 18480 1 339 . 1 1 31 31 PRO CD C 13 50.525 0.3 . 1 . . . A 31 PRO CD . 18480 1 340 . 1 1 32 32 GLY H H 1 8.363 0.020 . 1 . . . A 32 GLY H . 18480 1 341 . 1 1 32 32 GLY HA2 H 1 3.284 0.020 . 2 . . . A 32 GLY HA2 . 18480 1 342 . 1 1 32 32 GLY HA3 H 1 3.775 0.020 . 2 . . . A 32 GLY HA3 . 18480 1 343 . 1 1 32 32 GLY C C 13 172.454 0.3 . 1 . . . A 32 GLY C . 18480 1 344 . 1 1 32 32 GLY CA C 13 45.421 0.3 . 1 . . . A 32 GLY CA . 18480 1 345 . 1 1 32 32 GLY N N 15 104.648 0.3 . 1 . . . A 32 GLY N . 18480 1 346 . 1 1 33 33 PHE H H 1 8.118 0.020 . 1 . . . A 33 PHE H . 18480 1 347 . 1 1 33 33 PHE HA H 1 5.287 0.020 . 1 . . . A 33 PHE HA . 18480 1 348 . 1 1 33 33 PHE HB2 H 1 2.806 0.020 . 2 . . . A 33 PHE HB2 . 18480 1 349 . 1 1 33 33 PHE HB3 H 1 3.152 0.020 . 2 . . . A 33 PHE HB3 . 18480 1 350 . 1 1 33 33 PHE HD1 H 1 7.222 0.020 . 1 . . . A 33 PHE HD1 . 18480 1 351 . 1 1 33 33 PHE HD2 H 1 7.222 0.020 . 1 . . . A 33 PHE HD2 . 18480 1 352 . 1 1 33 33 PHE HE1 H 1 6.854 0.020 . 1 . . . A 33 PHE HE1 . 18480 1 353 . 1 1 33 33 PHE HE2 H 1 6.854 0.020 . 1 . . . A 33 PHE HE2 . 18480 1 354 . 1 1 33 33 PHE HZ H 1 7.095 0.020 . 1 . . . A 33 PHE HZ . 18480 1 355 . 1 1 33 33 PHE C C 13 176.387 0.3 . 1 . . . A 33 PHE C . 18480 1 356 . 1 1 33 33 PHE CA C 13 56.902 0.3 . 1 . . . A 33 PHE CA . 18480 1 357 . 1 1 33 33 PHE CB C 13 42.290 0.3 . 1 . . . A 33 PHE CB . 18480 1 358 . 1 1 33 33 PHE CD1 C 13 132.896 0.3 . 1 . . . A 33 PHE CD1 . 18480 1 359 . 1 1 33 33 PHE CD2 C 13 132.717 0.3 . 1 . . . A 33 PHE CD2 . 18480 1 360 . 1 1 33 33 PHE CE1 C 13 130.238 0.3 . 1 . . . A 33 PHE CE1 . 18480 1 361 . 1 1 33 33 PHE CE2 C 13 130.238 0.3 . 1 . . . A 33 PHE CE2 . 18480 1 362 . 1 1 33 33 PHE CZ C 13 130.235 0.3 . 1 . . . A 33 PHE CZ . 18480 1 363 . 1 1 33 33 PHE N N 15 116.917 0.3 . 1 . . . A 33 PHE N . 18480 1 364 . 1 1 34 34 THR H H 1 8.727 0.020 . 1 . . . A 34 THR H . 18480 1 365 . 1 1 34 34 THR HA H 1 4.494 0.020 . 1 . . . A 34 THR HA . 18480 1 366 . 1 1 34 34 THR HB H 1 4.713 0.020 . 1 . . . A 34 THR HB . 18480 1 367 . 1 1 34 34 THR HG21 H 1 1.149 0.020 . 1 . . . A 34 THR HG21 . 18480 1 368 . 1 1 34 34 THR HG22 H 1 1.149 0.020 . 1 . . . A 34 THR HG22 . 18480 1 369 . 1 1 34 34 THR HG23 H 1 1.149 0.020 . 1 . . . A 34 THR HG23 . 18480 1 370 . 1 1 34 34 THR C C 13 175.066 0.3 . 1 . . . A 34 THR C . 18480 1 371 . 1 1 34 34 THR CA C 13 59.946 0.3 . 1 . . . A 34 THR CA . 18480 1 372 . 1 1 34 34 THR CB C 13 70.967 0.3 . 1 . . . A 34 THR CB . 18480 1 373 . 1 1 34 34 THR CG2 C 13 21.645 0.3 . 1 . . . A 34 THR CG2 . 18480 1 374 . 1 1 34 34 THR N N 15 113.457 0.3 . 1 . . . A 34 THR N . 18480 1 375 . 1 1 35 35 ALA H H 1 8.913 0.020 . 1 . . . A 35 ALA H . 18480 1 376 . 1 1 35 35 ALA HA H 1 4.085 0.020 . 1 . . . A 35 ALA HA . 18480 1 377 . 1 1 35 35 ALA HB1 H 1 1.486 0.020 . 1 . . . A 35 ALA HB1 . 18480 1 378 . 1 1 35 35 ALA HB2 H 1 1.486 0.020 . 1 . . . A 35 ALA HB2 . 18480 1 379 . 1 1 35 35 ALA HB3 H 1 1.486 0.020 . 1 . . . A 35 ALA HB3 . 18480 1 380 . 1 1 35 35 ALA C C 13 180.755 0.3 . 1 . . . A 35 ALA C . 18480 1 381 . 1 1 35 35 ALA CA C 13 55.523 0.3 . 1 . . . A 35 ALA CA . 18480 1 382 . 1 1 35 35 ALA CB C 13 18.070 0.3 . 1 . . . A 35 ALA CB . 18480 1 383 . 1 1 35 35 ALA N N 15 122.737 0.3 . 1 . . . A 35 ALA N . 18480 1 384 . 1 1 36 36 SER H H 1 8.347 0.020 . 1 . . . A 36 SER H . 18480 1 385 . 1 1 36 36 SER HA H 1 4.244 0.020 . 1 . . . A 36 SER HA . 18480 1 386 . 1 1 36 36 SER HB2 H 1 3.911 0.020 . 1 . . . A 36 SER HB2 . 18480 1 387 . 1 1 36 36 SER HB3 H 1 3.911 0.020 . 1 . . . A 36 SER HB3 . 18480 1 388 . 1 1 36 36 SER C C 13 177.033 0.3 . 1 . . . A 36 SER C . 18480 1 389 . 1 1 36 36 SER CA C 13 61.453 0.3 . 1 . . . A 36 SER CA . 18480 1 390 . 1 1 36 36 SER CB C 13 62.529 0.3 . 1 . . . A 36 SER CB . 18480 1 391 . 1 1 36 36 SER N N 15 113.331 0.3 . 1 . . . A 36 SER N . 18480 1 392 . 1 1 37 37 GLN H H 1 7.500 0.020 . 1 . . . A 37 GLN H . 18480 1 393 . 1 1 37 37 GLN HA H 1 4.059 0.020 . 1 . . . A 37 GLN HA . 18480 1 394 . 1 1 37 37 GLN HB2 H 1 1.842 0.020 . 2 . . . A 37 GLN HB2 . 18480 1 395 . 1 1 37 37 GLN HB3 H 1 2.583 0.020 . 2 . . . A 37 GLN HB3 . 18480 1 396 . 1 1 37 37 GLN HG2 H 1 2.409 0.020 . 2 . . . A 37 GLN HG2 . 18480 1 397 . 1 1 37 37 GLN HG3 H 1 2.536 0.020 . 2 . . . A 37 GLN HG3 . 18480 1 398 . 1 1 37 37 GLN HE21 H 1 6.787 0.020 . 1 . . . A 37 GLN HE21 . 18480 1 399 . 1 1 37 37 GLN HE22 H 1 7.439 0.020 . 1 . . . A 37 GLN HE22 . 18480 1 400 . 1 1 37 37 GLN C C 13 179.149 0.3 . 1 . . . A 37 GLN C . 18480 1 401 . 1 1 37 37 GLN CA C 13 58.967 0.3 . 1 . . . A 37 GLN CA . 18480 1 402 . 1 1 37 37 GLN CB C 13 28.021 0.3 . 1 . . . A 37 GLN CB . 18480 1 403 . 1 1 37 37 GLN CG C 13 34.298 0.3 . 1 . . . A 37 GLN CG . 18480 1 404 . 1 1 37 37 GLN N N 15 122.548 0.3 . 1 . . . A 37 GLN N . 18480 1 405 . 1 1 37 37 GLN NE2 N 15 111.093 0.3 . 1 . . . A 37 GLN NE2 . 18480 1 406 . 1 1 38 38 LEU H H 1 8.217 0.020 . 1 . . . A 38 LEU H . 18480 1 407 . 1 1 38 38 LEU HA H 1 3.892 0.020 . 1 . . . A 38 LEU HA . 18480 1 408 . 1 1 38 38 LEU HB2 H 1 1.393 0.020 . 2 . . . A 38 LEU HB2 . 18480 1 409 . 1 1 38 38 LEU HB3 H 1 1.825 0.020 . 2 . . . A 38 LEU HB3 . 18480 1 410 . 1 1 38 38 LEU HG H 1 1.677 0.020 . 1 . . . A 38 LEU HG . 18480 1 411 . 1 1 38 38 LEU HD11 H 1 0.567 0.020 . 2 . . . A 38 LEU HD11 . 18480 1 412 . 1 1 38 38 LEU HD12 H 1 0.567 0.020 . 2 . . . A 38 LEU HD12 . 18480 1 413 . 1 1 38 38 LEU HD13 H 1 0.567 0.020 . 2 . . . A 38 LEU HD13 . 18480 1 414 . 1 1 38 38 LEU HD21 H 1 0.849 0.020 . 2 . . . A 38 LEU HD21 . 18480 1 415 . 1 1 38 38 LEU HD22 H 1 0.849 0.020 . 2 . . . A 38 LEU HD22 . 18480 1 416 . 1 1 38 38 LEU HD23 H 1 0.849 0.020 . 2 . . . A 38 LEU HD23 . 18480 1 417 . 1 1 38 38 LEU C C 13 179.675 0.3 . 1 . . . A 38 LEU C . 18480 1 418 . 1 1 38 38 LEU CA C 13 57.959 0.3 . 1 . . . A 38 LEU CA . 18480 1 419 . 1 1 38 38 LEU CB C 13 41.493 0.3 . 1 . . . A 38 LEU CB . 18480 1 420 . 1 1 38 38 LEU CG C 13 27.154 0.3 . 1 . . . A 38 LEU CG . 18480 1 421 . 1 1 38 38 LEU CD1 C 13 22.937 0.3 . 1 . . . A 38 LEU CD1 . 18480 1 422 . 1 1 38 38 LEU CD2 C 13 25.653 0.3 . 1 . . . A 38 LEU CD2 . 18480 1 423 . 1 1 38 38 LEU N N 15 117.948 0.3 . 1 . . . A 38 LEU N . 18480 1 424 . 1 1 39 39 ASP H H 1 8.192 0.020 . 1 . . . A 39 ASP H . 18480 1 425 . 1 1 39 39 ASP HA H 1 4.411 0.020 . 1 . . . A 39 ASP HA . 18480 1 426 . 1 1 39 39 ASP HB2 H 1 2.768 0.020 . 2 . . . A 39 ASP HB2 . 18480 1 427 . 1 1 39 39 ASP HB3 H 1 2.839 0.020 . 2 . . . A 39 ASP HB3 . 18480 1 428 . 1 1 39 39 ASP C C 13 179.224 0.3 . 1 . . . A 39 ASP C . 18480 1 429 . 1 1 39 39 ASP CA C 13 57.606 0.3 . 1 . . . A 39 ASP CA . 18480 1 430 . 1 1 39 39 ASP CB C 13 41.828 0.3 . 1 . . . A 39 ASP CB . 18480 1 431 . 1 1 39 39 ASP N N 15 120.923 0.3 . 1 . . . A 39 ASP N . 18480 1 432 . 1 1 40 40 ASP H H 1 8.366 0.020 . 1 . . . A 40 ASP H . 18480 1 433 . 1 1 40 40 ASP HA H 1 4.217 0.020 . 1 . . . A 40 ASP HA . 18480 1 434 . 1 1 40 40 ASP HB2 H 1 2.256 0.020 . 2 . . . A 40 ASP HB2 . 18480 1 435 . 1 1 40 40 ASP HB3 H 1 3.129 0.020 . 2 . . . A 40 ASP HB3 . 18480 1 436 . 1 1 40 40 ASP C C 13 179.600 0.3 . 1 . . . A 40 ASP C . 18480 1 437 . 1 1 40 40 ASP CA C 13 58.640 0.3 . 1 . . . A 40 ASP CA . 18480 1 438 . 1 1 40 40 ASP CB C 13 39.312 0.3 . 1 . . . A 40 ASP CB . 18480 1 439 . 1 1 40 40 ASP N N 15 123.608 0.3 . 1 . . . A 40 ASP N . 18480 1 440 . 1 1 41 41 MET H H 1 8.423 0.020 . 1 . . . A 41 MET H . 18480 1 441 . 1 1 41 41 MET HA H 1 3.638 0.020 . 1 . . . A 41 MET HA . 18480 1 442 . 1 1 41 41 MET HB2 H 1 1.964 0.020 . 2 . . . A 41 MET HB2 . 18480 1 443 . 1 1 41 41 MET HB3 H 1 2.234 0.020 . 2 . . . A 41 MET HB3 . 18480 1 444 . 1 1 41 41 MET HG2 H 1 2.275 0.020 . 2 . . . A 41 MET HG2 . 18480 1 445 . 1 1 41 41 MET HG3 H 1 2.925 0.020 . 2 . . . A 41 MET HG3 . 18480 1 446 . 1 1 41 41 MET HE1 H 1 1.908 0.020 . 1 . . . A 41 MET HE1 . 18480 1 447 . 1 1 41 41 MET HE2 H 1 1.908 0.020 . 1 . . . A 41 MET HE2 . 18480 1 448 . 1 1 41 41 MET HE3 H 1 1.908 0.020 . 1 . . . A 41 MET HE3 . 18480 1 449 . 1 1 41 41 MET C C 13 177.693 0.3 . 1 . . . A 41 MET C . 18480 1 450 . 1 1 41 41 MET CA C 13 60.513 0.3 . 1 . . . A 41 MET CA . 18480 1 451 . 1 1 41 41 MET CB C 13 34.320 0.3 . 1 . . . A 41 MET CB . 18480 1 452 . 1 1 41 41 MET CG C 13 34.580 0.3 . 1 . . . A 41 MET CG . 18480 1 453 . 1 1 41 41 MET CE C 13 19.961 0.3 . 1 . . . A 41 MET CE . 18480 1 454 . 1 1 41 41 MET N N 15 118.772 0.3 . 1 . . . A 41 MET N . 18480 1 455 . 1 1 42 42 SER H H 1 8.901 0.020 . 1 . . . A 42 SER H . 18480 1 456 . 1 1 42 42 SER HA H 1 4.168 0.020 . 1 . . . A 42 SER HA . 18480 1 457 . 1 1 42 42 SER HB2 H 1 4.051 0.020 . 1 . . . A 42 SER HB2 . 18480 1 458 . 1 1 42 42 SER HB3 H 1 4.051 0.020 . 1 . . . A 42 SER HB3 . 18480 1 459 . 1 1 42 42 SER C C 13 177.483 0.3 . 1 . . . A 42 SER C . 18480 1 460 . 1 1 42 42 SER CA C 13 61.923 0.3 . 1 . . . A 42 SER CA . 18480 1 461 . 1 1 42 42 SER CB C 13 63.084 0.3 . 1 . . . A 42 SER CB . 18480 1 462 . 1 1 42 42 SER N N 15 115.040 0.3 . 1 . . . A 42 SER N . 18480 1 463 . 1 1 43 43 THR H H 1 8.479 0.020 . 1 . . . A 43 THR H . 18480 1 464 . 1 1 43 43 THR HA H 1 3.914 0.020 . 1 . . . A 43 THR HA . 18480 1 465 . 1 1 43 43 THR HB H 1 4.060 0.020 . 1 . . . A 43 THR HB . 18480 1 466 . 1 1 43 43 THR HG21 H 1 1.184 0.020 . 1 . . . A 43 THR HG21 . 18480 1 467 . 1 1 43 43 THR HG22 H 1 1.184 0.020 . 1 . . . A 43 THR HG22 . 18480 1 468 . 1 1 43 43 THR HG23 H 1 1.184 0.020 . 1 . . . A 43 THR HG23 . 18480 1 469 . 1 1 43 43 THR C C 13 177.258 0.3 . 1 . . . A 43 THR C . 18480 1 470 . 1 1 43 43 THR CA C 13 67.017 0.3 . 1 . . . A 43 THR CA . 18480 1 471 . 1 1 43 43 THR CB C 13 69.500 0.3 . 1 . . . A 43 THR CB . 18480 1 472 . 1 1 43 43 THR CG2 C 13 21.965 0.3 . 1 . . . A 43 THR CG2 . 18480 1 473 . 1 1 43 43 THR N N 15 118.747 0.3 . 1 . . . A 43 THR N . 18480 1 474 . 1 1 44 44 ILE H H 1 7.807 0.020 . 1 . . . A 44 ILE H . 18480 1 475 . 1 1 44 44 ILE HA H 1 3.703 0.020 . 1 . . . A 44 ILE HA . 18480 1 476 . 1 1 44 44 ILE HB H 1 2.009 0.020 . 1 . . . A 44 ILE HB . 18480 1 477 . 1 1 44 44 ILE HG12 H 1 1.440 0.020 . 1 . . . A 44 ILE HG12 . 18480 1 478 . 1 1 44 44 ILE HG13 H 1 1.440 0.020 . 1 . . . A 44 ILE HG13 . 18480 1 479 . 1 1 44 44 ILE HG21 H 1 0.895 0.020 . 1 . . . A 44 ILE HG21 . 18480 1 480 . 1 1 44 44 ILE HG22 H 1 0.895 0.020 . 1 . . . A 44 ILE HG22 . 18480 1 481 . 1 1 44 44 ILE HG23 H 1 0.895 0.020 . 1 . . . A 44 ILE HG23 . 18480 1 482 . 1 1 44 44 ILE HD11 H 1 0.760 0.020 . 1 . . . A 44 ILE HD11 . 18480 1 483 . 1 1 44 44 ILE HD12 H 1 0.760 0.020 . 1 . . . A 44 ILE HD12 . 18480 1 484 . 1 1 44 44 ILE HD13 H 1 0.760 0.020 . 1 . . . A 44 ILE HD13 . 18480 1 485 . 1 1 44 44 ILE C C 13 178.564 0.3 . 1 . . . A 44 ILE C . 18480 1 486 . 1 1 44 44 ILE CA C 13 64.064 0.3 . 1 . . . A 44 ILE CA . 18480 1 487 . 1 1 44 44 ILE CB C 13 36.209 0.3 . 1 . . . A 44 ILE CB . 18480 1 488 . 1 1 44 44 ILE CG1 C 13 28.778 0.3 . 1 . . . A 44 ILE CG1 . 18480 1 489 . 1 1 44 44 ILE CG2 C 13 17.830 0.3 . 1 . . . A 44 ILE CG2 . 18480 1 490 . 1 1 44 44 ILE CD1 C 13 11.718 0.3 . 1 . . . A 44 ILE CD1 . 18480 1 491 . 1 1 44 44 ILE N N 15 121.898 0.3 . 1 . . . A 44 ILE N . 18480 1 492 . 1 1 45 45 ALA H H 1 9.145 0.020 . 1 . . . A 45 ALA H . 18480 1 493 . 1 1 45 45 ALA HA H 1 4.042 0.020 . 1 . . . A 45 ALA HA . 18480 1 494 . 1 1 45 45 ALA HB1 H 1 1.653 0.020 . 1 . . . A 45 ALA HB1 . 18480 1 495 . 1 1 45 45 ALA HB2 H 1 1.653 0.020 . 1 . . . A 45 ALA HB2 . 18480 1 496 . 1 1 45 45 ALA HB3 H 1 1.653 0.020 . 1 . . . A 45 ALA HB3 . 18480 1 497 . 1 1 45 45 ALA C C 13 179.404 0.3 . 1 . . . A 45 ALA C . 18480 1 498 . 1 1 45 45 ALA CA C 13 56.541 0.3 . 1 . . . A 45 ALA CA . 18480 1 499 . 1 1 45 45 ALA CB C 13 18.458 0.3 . 1 . . . A 45 ALA CB . 18480 1 500 . 1 1 45 45 ALA N N 15 124.002 0.3 . 1 . . . A 45 ALA N . 18480 1 501 . 1 1 46 46 GLN H H 1 8.459 0.020 . 1 . . . A 46 GLN H . 18480 1 502 . 1 1 46 46 GLN HA H 1 4.023 0.020 . 1 . . . A 46 GLN HA . 18480 1 503 . 1 1 46 46 GLN HB2 H 1 2.210 0.020 . 1 . . . A 46 GLN HB2 . 18480 1 504 . 1 1 46 46 GLN HB3 H 1 2.210 0.020 . 1 . . . A 46 GLN HB3 . 18480 1 505 . 1 1 46 46 GLN HG2 H 1 2.371 0.020 . 2 . . . A 46 GLN HG2 . 18480 1 506 . 1 1 46 46 GLN HG3 H 1 2.553 0.020 . 2 . . . A 46 GLN HG3 . 18480 1 507 . 1 1 46 46 GLN HE21 H 1 6.923 0.020 . 1 . . . A 46 GLN HE21 . 18480 1 508 . 1 1 46 46 GLN HE22 H 1 7.396 0.020 . 1 . . . A 46 GLN HE22 . 18480 1 509 . 1 1 46 46 GLN C C 13 179.014 0.3 . 1 . . . A 46 GLN C . 18480 1 510 . 1 1 46 46 GLN CA C 13 58.953 0.3 . 1 . . . A 46 GLN CA . 18480 1 511 . 1 1 46 46 GLN CB C 13 28.400 0.3 . 1 . . . A 46 GLN CB . 18480 1 512 . 1 1 46 46 GLN CG C 13 34.130 0.3 . 1 . . . A 46 GLN CG . 18480 1 513 . 1 1 46 46 GLN N N 15 115.753 0.3 . 1 . . . A 46 GLN N . 18480 1 514 . 1 1 46 46 GLN NE2 N 15 112.012 0.3 . 1 . . . A 46 GLN NE2 . 18480 1 515 . 1 1 47 47 SER H H 1 7.961 0.020 . 1 . . . A 47 SER H . 18480 1 516 . 1 1 47 47 SER HA H 1 4.258 0.020 . 1 . . . A 47 SER HA . 18480 1 517 . 1 1 47 47 SER HB2 H 1 3.989 0.020 . 2 . . . A 47 SER HB2 . 18480 1 518 . 1 1 47 47 SER HB3 H 1 4.052 0.020 . 2 . . . A 47 SER HB3 . 18480 1 519 . 1 1 47 47 SER C C 13 177.483 0.3 . 1 . . . A 47 SER C . 18480 1 520 . 1 1 47 47 SER CA C 13 62.328 0.3 . 1 . . . A 47 SER CA . 18480 1 521 . 1 1 47 47 SER CB C 13 63.154 0.3 . 1 . . . A 47 SER CB . 18480 1 522 . 1 1 47 47 SER N N 15 116.041 0.3 . 1 . . . A 47 SER N . 18480 1 523 . 1 1 48 48 MET H H 1 8.508 0.020 . 1 . . . A 48 MET H . 18480 1 524 . 1 1 48 48 MET HA H 1 4.376 0.020 . 1 . . . A 48 MET HA . 18480 1 525 . 1 1 48 48 MET HB2 H 1 1.856 0.020 . 2 . . . A 48 MET HB2 . 18480 1 526 . 1 1 48 48 MET HB3 H 1 2.557 0.020 . 2 . . . A 48 MET HB3 . 18480 1 527 . 1 1 48 48 MET HG2 H 1 2.790 0.020 . 1 . . . A 48 MET HG2 . 18480 1 528 . 1 1 48 48 MET HG3 H 1 2.790 0.020 . 1 . . . A 48 MET HG3 . 18480 1 529 . 1 1 48 48 MET HE1 H 1 1.984 0.020 . 1 . . . A 48 MET HE1 . 18480 1 530 . 1 1 48 48 MET HE2 H 1 1.984 0.020 . 1 . . . A 48 MET HE2 . 18480 1 531 . 1 1 48 48 MET HE3 H 1 1.984 0.020 . 1 . . . A 48 MET HE3 . 18480 1 532 . 1 1 48 48 MET C C 13 177.798 0.3 . 1 . . . A 48 MET C . 18480 1 533 . 1 1 48 48 MET CA C 13 58.198 0.3 . 1 . . . A 48 MET CA . 18480 1 534 . 1 1 48 48 MET CB C 13 32.102 0.3 . 1 . . . A 48 MET CB . 18480 1 535 . 1 1 48 48 MET CG C 13 33.835 0.3 . 1 . . . A 48 MET CG . 18480 1 536 . 1 1 48 48 MET CE C 13 18.295 0.3 . 1 . . . A 48 MET CE . 18480 1 537 . 1 1 48 48 MET N N 15 122.349 0.3 . 1 . . . A 48 MET N . 18480 1 538 . 1 1 49 49 VAL H H 1 8.541 0.020 . 1 . . . A 49 VAL H . 18480 1 539 . 1 1 49 49 VAL HA H 1 3.442 0.020 . 1 . . . A 49 VAL HA . 18480 1 540 . 1 1 49 49 VAL HB H 1 2.182 0.020 . 1 . . . A 49 VAL HB . 18480 1 541 . 1 1 49 49 VAL HG11 H 1 0.865 0.020 . 2 . . . A 49 VAL HG11 . 18480 1 542 . 1 1 49 49 VAL HG12 H 1 0.865 0.020 . 2 . . . A 49 VAL HG12 . 18480 1 543 . 1 1 49 49 VAL HG13 H 1 0.865 0.020 . 2 . . . A 49 VAL HG13 . 18480 1 544 . 1 1 49 49 VAL HG21 H 1 1.040 0.020 . 2 . . . A 49 VAL HG21 . 18480 1 545 . 1 1 49 49 VAL HG22 H 1 1.040 0.020 . 2 . . . A 49 VAL HG22 . 18480 1 546 . 1 1 49 49 VAL HG23 H 1 1.040 0.020 . 2 . . . A 49 VAL HG23 . 18480 1 547 . 1 1 49 49 VAL C C 13 177.910 0.3 . 1 . . . A 49 VAL C . 18480 1 548 . 1 1 49 49 VAL CA C 13 67.923 0.3 . 1 . . . A 49 VAL CA . 18480 1 549 . 1 1 49 49 VAL CB C 13 31.759 0.3 . 1 . . . A 49 VAL CB . 18480 1 550 . 1 1 49 49 VAL CG1 C 13 21.646 0.3 . 1 . . . A 49 VAL CG1 . 18480 1 551 . 1 1 49 49 VAL CG2 C 13 24.328 0.3 . 1 . . . A 49 VAL CG2 . 18480 1 552 . 1 1 49 49 VAL N N 15 122.061 0.3 . 1 . . . A 49 VAL N . 18480 1 553 . 1 1 50 50 GLN H H 1 8.165 0.020 . 1 . . . A 50 GLN H . 18480 1 554 . 1 1 50 50 GLN HA H 1 4.057 0.020 . 1 . . . A 50 GLN HA . 18480 1 555 . 1 1 50 50 GLN HB2 H 1 2.150 0.020 . 2 . . . A 50 GLN HB2 . 18480 1 556 . 1 1 50 50 GLN HB3 H 1 2.244 0.020 . 2 . . . A 50 GLN HB3 . 18480 1 557 . 1 1 50 50 GLN HG2 H 1 2.418 0.020 . 2 . . . A 50 GLN HG2 . 18480 1 558 . 1 1 50 50 GLN HG3 H 1 2.548 0.020 . 2 . . . A 50 GLN HG3 . 18480 1 559 . 1 1 50 50 GLN HE21 H 1 6.787 0.020 . 1 . . . A 50 GLN HE21 . 18480 1 560 . 1 1 50 50 GLN HE22 H 1 7.440 0.020 . 1 . . . A 50 GLN HE22 . 18480 1 561 . 1 1 50 50 GLN C C 13 179.449 0.3 . 1 . . . A 50 GLN C . 18480 1 562 . 1 1 50 50 GLN CA C 13 59.025 0.3 . 1 . . . A 50 GLN CA . 18480 1 563 . 1 1 50 50 GLN CB C 13 28.007 0.3 . 1 . . . A 50 GLN CB . 18480 1 564 . 1 1 50 50 GLN CG C 13 34.433 0.3 . 1 . . . A 50 GLN CG . 18480 1 565 . 1 1 50 50 GLN N N 15 118.465 0.3 . 1 . . . A 50 GLN N . 18480 1 566 . 1 1 50 50 GLN NE2 N 15 111.182 0.3 . 1 . . . A 50 GLN NE2 . 18480 1 567 . 1 1 51 51 SER H H 1 8.199 0.020 . 1 . . . A 51 SER H . 18480 1 568 . 1 1 51 51 SER HA H 1 3.854 0.020 . 1 . . . A 51 SER HA . 18480 1 569 . 1 1 51 51 SER HB2 H 1 3.854 0.020 . 2 . . . A 51 SER HB2 . 18480 1 570 . 1 1 51 51 SER HB3 H 1 4.146 0.020 . 2 . . . A 51 SER HB3 . 18480 1 571 . 1 1 51 51 SER C C 13 176.374 0.3 . 1 . . . A 51 SER C . 18480 1 572 . 1 1 51 51 SER CA C 13 62.642 0.3 . 1 . . . A 51 SER CA . 18480 1 573 . 1 1 51 51 SER CB C 13 63.039 0.3 . 1 . . . A 51 SER CB . 18480 1 574 . 1 1 51 51 SER N N 15 117.659 0.3 . 1 . . . A 51 SER N . 18480 1 575 . 1 1 52 52 ILE H H 1 8.068 0.020 . 1 . . . A 52 ILE H . 18480 1 576 . 1 1 52 52 ILE HA H 1 3.380 0.020 . 1 . . . A 52 ILE HA . 18480 1 577 . 1 1 52 52 ILE HB H 1 2.021 0.020 . 1 . . . A 52 ILE HB . 18480 1 578 . 1 1 52 52 ILE HG12 H 1 0.833 0.020 . 2 . . . A 52 ILE HG12 . 18480 1 579 . 1 1 52 52 ILE HG13 H 1 0.781 0.020 . 2 . . . A 52 ILE HG13 . 18480 1 580 . 1 1 52 52 ILE HG21 H 1 0.939 0.020 . 1 . . . A 52 ILE HG21 . 18480 1 581 . 1 1 52 52 ILE HG22 H 1 0.939 0.020 . 1 . . . A 52 ILE HG22 . 18480 1 582 . 1 1 52 52 ILE HG23 H 1 0.939 0.020 . 1 . . . A 52 ILE HG23 . 18480 1 583 . 1 1 52 52 ILE HD11 H 1 0.774 0.020 . 1 . . . A 52 ILE HD11 . 18480 1 584 . 1 1 52 52 ILE HD12 H 1 0.774 0.020 . 1 . . . A 52 ILE HD12 . 18480 1 585 . 1 1 52 52 ILE HD13 H 1 0.774 0.020 . 1 . . . A 52 ILE HD13 . 18480 1 586 . 1 1 52 52 ILE C C 13 178.684 0.3 . 1 . . . A 52 ILE C . 18480 1 587 . 1 1 52 52 ILE CA C 13 66.315 0.3 . 1 . . . A 52 ILE CA . 18480 1 588 . 1 1 52 52 ILE CB C 13 37.548 0.3 . 1 . . . A 52 ILE CB . 18480 1 589 . 1 1 52 52 ILE CG1 C 13 30.357 0.3 . 1 . . . A 52 ILE CG1 . 18480 1 590 . 1 1 52 52 ILE CG2 C 13 18.151 0.3 . 1 . . . A 52 ILE CG2 . 18480 1 591 . 1 1 52 52 ILE CD1 C 13 13.733 0.3 . 1 . . . A 52 ILE CD1 . 18480 1 592 . 1 1 52 52 ILE N N 15 122.930 0.3 . 1 . . . A 52 ILE N . 18480 1 593 . 1 1 53 53 GLN H H 1 8.459 0.020 . 1 . . . A 53 GLN H . 18480 1 594 . 1 1 53 53 GLN HA H 1 3.913 0.020 . 1 . . . A 53 GLN HA . 18480 1 595 . 1 1 53 53 GLN HB2 H 1 1.963 0.020 . 2 . . . A 53 GLN HB2 . 18480 1 596 . 1 1 53 53 GLN HB3 H 1 2.235 0.020 . 2 . . . A 53 GLN HB3 . 18480 1 597 . 1 1 53 53 GLN HG2 H 1 2.319 0.020 . 2 . . . A 53 GLN HG2 . 18480 1 598 . 1 1 53 53 GLN HG3 H 1 2.558 0.020 . 2 . . . A 53 GLN HG3 . 18480 1 599 . 1 1 53 53 GLN HE21 H 1 6.595 0.020 . 1 . . . A 53 GLN HE21 . 18480 1 600 . 1 1 53 53 GLN HE22 H 1 7.463 0.020 . 1 . . . A 53 GLN HE22 . 18480 1 601 . 1 1 53 53 GLN C C 13 179.014 0.3 . 1 . . . A 53 GLN C . 18480 1 602 . 1 1 53 53 GLN CA C 13 59.168 0.3 . 1 . . . A 53 GLN CA . 18480 1 603 . 1 1 53 53 GLN CB C 13 28.017 0.3 . 1 . . . A 53 GLN CB . 18480 1 604 . 1 1 53 53 GLN CG C 13 33.964 0.3 . 1 . . . A 53 GLN CG . 18480 1 605 . 1 1 53 53 GLN N N 15 118.774 0.3 . 1 . . . A 53 GLN N . 18480 1 606 . 1 1 53 53 GLN NE2 N 15 111.045 0.3 . 1 . . . A 53 GLN NE2 . 18480 1 607 . 1 1 54 54 SER H H 1 8.330 0.020 . 1 . . . A 54 SER H . 18480 1 608 . 1 1 54 54 SER HA H 1 4.294 0.020 . 1 . . . A 54 SER HA . 18480 1 609 . 1 1 54 54 SER HB2 H 1 4.014 0.020 . 1 . . . A 54 SER HB2 . 18480 1 610 . 1 1 54 54 SER HB3 H 1 4.014 0.020 . 1 . . . A 54 SER HB3 . 18480 1 611 . 1 1 54 54 SER C C 13 176.822 0.3 . 1 . . . A 54 SER C . 18480 1 612 . 1 1 54 54 SER CA C 13 61.276 0.3 . 1 . . . A 54 SER CA . 18480 1 613 . 1 1 54 54 SER CB C 13 62.873 0.3 . 1 . . . A 54 SER CB . 18480 1 614 . 1 1 54 54 SER N N 15 115.452 0.3 . 1 . . . A 54 SER N . 18480 1 615 . 1 1 55 55 LEU H H 1 8.211 0.020 . 1 . . . A 55 LEU H . 18480 1 616 . 1 1 55 55 LEU HA H 1 3.981 0.020 . 1 . . . A 55 LEU HA . 18480 1 617 . 1 1 55 55 LEU HB2 H 1 1.078 0.020 . 2 . . . A 55 LEU HB2 . 18480 1 618 . 1 1 55 55 LEU HB3 H 1 1.796 0.020 . 2 . . . A 55 LEU HB3 . 18480 1 619 . 1 1 55 55 LEU HG H 1 1.802 0.020 . 1 . . . A 55 LEU HG . 18480 1 620 . 1 1 55 55 LEU HD11 H 1 0.662 0.020 . 2 . . . A 55 LEU HD11 . 18480 1 621 . 1 1 55 55 LEU HD12 H 1 0.662 0.020 . 2 . . . A 55 LEU HD12 . 18480 1 622 . 1 1 55 55 LEU HD13 H 1 0.662 0.020 . 2 . . . A 55 LEU HD13 . 18480 1 623 . 1 1 55 55 LEU HD21 H 1 0.712 0.020 . 2 . . . A 55 LEU HD21 . 18480 1 624 . 1 1 55 55 LEU HD22 H 1 0.712 0.020 . 2 . . . A 55 LEU HD22 . 18480 1 625 . 1 1 55 55 LEU HD23 H 1 0.712 0.020 . 2 . . . A 55 LEU HD23 . 18480 1 626 . 1 1 55 55 LEU C C 13 179.434 0.3 . 1 . . . A 55 LEU C . 18480 1 627 . 1 1 55 55 LEU CA C 13 57.976 0.3 . 1 . . . A 55 LEU CA . 18480 1 628 . 1 1 55 55 LEU CB C 13 42.606 0.3 . 1 . . . A 55 LEU CB . 18480 1 629 . 1 1 55 55 LEU CG C 13 26.675 0.3 . 1 . . . A 55 LEU CG . 18480 1 630 . 1 1 55 55 LEU CD1 C 13 25.423 0.3 . 1 . . . A 55 LEU CD1 . 18480 1 631 . 1 1 55 55 LEU CD2 C 13 23.406 0.3 . 1 . . . A 55 LEU CD2 . 18480 1 632 . 1 1 55 55 LEU N N 15 121.066 0.3 . 1 . . . A 55 LEU N . 18480 1 633 . 1 1 56 56 ALA H H 1 8.902 0.020 . 1 . . . A 56 ALA H . 18480 1 634 . 1 1 56 56 ALA HA H 1 4.149 0.020 . 1 . . . A 56 ALA HA . 18480 1 635 . 1 1 56 56 ALA HB1 H 1 1.462 0.020 . 1 . . . A 56 ALA HB1 . 18480 1 636 . 1 1 56 56 ALA HB2 H 1 1.462 0.020 . 1 . . . A 56 ALA HB2 . 18480 1 637 . 1 1 56 56 ALA HB3 H 1 1.462 0.020 . 1 . . . A 56 ALA HB3 . 18480 1 638 . 1 1 56 56 ALA C C 13 180.530 0.3 . 1 . . . A 56 ALA C . 18480 1 639 . 1 1 56 56 ALA CA C 13 55.069 0.3 . 1 . . . A 56 ALA CA . 18480 1 640 . 1 1 56 56 ALA CB C 13 17.962 0.3 . 1 . . . A 56 ALA CB . 18480 1 641 . 1 1 56 56 ALA N N 15 122.497 0.3 . 1 . . . A 56 ALA N . 18480 1 642 . 1 1 57 57 ALA H H 1 8.140 0.020 . 1 . . . A 57 ALA H . 18480 1 643 . 1 1 57 57 ALA HA H 1 4.157 0.020 . 1 . . . A 57 ALA HA . 18480 1 644 . 1 1 57 57 ALA HB1 H 1 1.583 0.020 . 1 . . . A 57 ALA HB1 . 18480 1 645 . 1 1 57 57 ALA HB2 H 1 1.583 0.020 . 1 . . . A 57 ALA HB2 . 18480 1 646 . 1 1 57 57 ALA HB3 H 1 1.583 0.020 . 1 . . . A 57 ALA HB3 . 18480 1 647 . 1 1 57 57 ALA C C 13 179.344 0.3 . 1 . . . A 57 ALA C . 18480 1 648 . 1 1 57 57 ALA CA C 13 54.998 0.3 . 1 . . . A 57 ALA CA . 18480 1 649 . 1 1 57 57 ALA CB C 13 18.029 0.3 . 1 . . . A 57 ALA CB . 18480 1 650 . 1 1 57 57 ALA N N 15 122.922 0.3 . 1 . . . A 57 ALA N . 18480 1 651 . 1 1 58 58 GLN H H 1 7.415 0.020 . 1 . . . A 58 GLN H . 18480 1 652 . 1 1 58 58 GLN HA H 1 4.362 0.020 . 1 . . . A 58 GLN HA . 18480 1 653 . 1 1 58 58 GLN HB2 H 1 1.903 0.020 . 2 . . . A 58 GLN HB2 . 18480 1 654 . 1 1 58 58 GLN HB3 H 1 2.319 0.020 . 2 . . . A 58 GLN HB3 . 18480 1 655 . 1 1 58 58 GLN HG2 H 1 2.350 0.020 . 2 . . . A 58 GLN HG2 . 18480 1 656 . 1 1 58 58 GLN HG3 H 1 2.639 0.020 . 2 . . . A 58 GLN HG3 . 18480 1 657 . 1 1 58 58 GLN HE21 H 1 7.053 0.020 . 1 . . . A 58 GLN HE21 . 18480 1 658 . 1 1 58 58 GLN HE22 H 1 7.008 0.020 . 1 . . . A 58 GLN HE22 . 18480 1 659 . 1 1 58 58 GLN C C 13 176.612 0.3 . 1 . . . A 58 GLN C . 18480 1 660 . 1 1 58 58 GLN CA C 13 55.598 0.3 . 1 . . . A 58 GLN CA . 18480 1 661 . 1 1 58 58 GLN CB C 13 31.075 0.3 . 1 . . . A 58 GLN CB . 18480 1 662 . 1 1 58 58 GLN CG C 13 34.466 0.3 . 1 . . . A 58 GLN CG . 18480 1 663 . 1 1 58 58 GLN N N 15 113.359 0.3 . 1 . . . A 58 GLN N . 18480 1 664 . 1 1 58 58 GLN NE2 N 15 111.808 0.3 . 1 . . . A 58 GLN NE2 . 18480 1 665 . 1 1 59 59 GLY H H 1 7.979 0.020 . 1 . . . A 59 GLY H . 18480 1 666 . 1 1 59 59 GLY HA2 H 1 4.032 0.020 . 2 . . . A 59 GLY HA2 . 18480 1 667 . 1 1 59 59 GLY HA3 H 1 4.093 0.020 . 2 . . . A 59 GLY HA3 . 18480 1 668 . 1 1 59 59 GLY C C 13 174.856 0.3 . 1 . . . A 59 GLY C . 18480 1 669 . 1 1 59 59 GLY CA C 13 46.761 0.3 . 1 . . . A 59 GLY CA . 18480 1 670 . 1 1 59 59 GLY N N 15 109.012 0.3 . 1 . . . A 59 GLY N . 18480 1 671 . 1 1 60 60 ARG H H 1 8.126 0.020 . 1 . . . A 60 ARG H . 18480 1 672 . 1 1 60 60 ARG HA H 1 4.602 0.020 . 1 . . . A 60 ARG HA . 18480 1 673 . 1 1 60 60 ARG HB2 H 1 1.364 0.020 . 2 . . . A 60 ARG HB2 . 18480 1 674 . 1 1 60 60 ARG HB3 H 1 2.343 0.020 . 2 . . . A 60 ARG HB3 . 18480 1 675 . 1 1 60 60 ARG HG2 H 1 1.565 0.020 . 1 . . . A 60 ARG HG2 . 18480 1 676 . 1 1 60 60 ARG HG3 H 1 1.565 0.020 . 1 . . . A 60 ARG HG3 . 18480 1 677 . 1 1 60 60 ARG HD2 H 1 3.014 0.020 . 2 . . . A 60 ARG HD2 . 18480 1 678 . 1 1 60 60 ARG HD3 H 1 3.230 0.020 . 2 . . . A 60 ARG HD3 . 18480 1 679 . 1 1 60 60 ARG HE H 1 7.349 0.020 . 1 . . . A 60 ARG HE . 18480 1 680 . 1 1 60 60 ARG C C 13 175.847 0.3 . 1 . . . A 60 ARG C . 18480 1 681 . 1 1 60 60 ARG CA C 13 55.808 0.3 . 1 . . . A 60 ARG CA . 18480 1 682 . 1 1 60 60 ARG CB C 13 32.406 0.3 . 1 . . . A 60 ARG CB . 18480 1 683 . 1 1 60 60 ARG CG C 13 26.935 0.3 . 1 . . . A 60 ARG CG . 18480 1 684 . 1 1 60 60 ARG CD C 13 44.081 0.3 . 1 . . . A 60 ARG CD . 18480 1 685 . 1 1 60 60 ARG N N 15 115.906 0.3 . 1 . . . A 60 ARG N . 18480 1 686 . 1 1 60 60 ARG NE N 15 84.266 0.3 . 1 . . . A 60 ARG NE . 18480 1 687 . 1 1 61 61 THR H H 1 7.663 0.020 . 1 . . . A 61 THR H . 18480 1 688 . 1 1 61 61 THR HA H 1 4.125 0.020 . 1 . . . A 61 THR HA . 18480 1 689 . 1 1 61 61 THR HB H 1 3.994 0.020 . 1 . . . A 61 THR HB . 18480 1 690 . 1 1 61 61 THR HG21 H 1 1.013 0.020 . 1 . . . A 61 THR HG21 . 18480 1 691 . 1 1 61 61 THR HG22 H 1 1.013 0.020 . 1 . . . A 61 THR HG22 . 18480 1 692 . 1 1 61 61 THR HG23 H 1 1.013 0.020 . 1 . . . A 61 THR HG23 . 18480 1 693 . 1 1 61 61 THR C C 13 173.654 0.3 . 1 . . . A 61 THR C . 18480 1 694 . 1 1 61 61 THR CA C 13 62.194 0.3 . 1 . . . A 61 THR CA . 18480 1 695 . 1 1 61 61 THR CB C 13 69.512 0.3 . 1 . . . A 61 THR CB . 18480 1 696 . 1 1 61 61 THR CG2 C 13 23.376 0.3 . 1 . . . A 61 THR CG2 . 18480 1 697 . 1 1 61 61 THR N N 15 107.985 0.3 . 1 . . . A 61 THR N . 18480 1 698 . 1 1 62 62 SER H H 1 7.057 0.020 . 1 . . . A 62 SER H . 18480 1 699 . 1 1 62 62 SER HA H 1 4.973 0.020 . 1 . . . A 62 SER HA . 18480 1 700 . 1 1 62 62 SER HB2 H 1 4.360 0.020 . 1 . . . A 62 SER HB2 . 18480 1 701 . 1 1 62 62 SER HB3 H 1 4.360 0.020 . 1 . . . A 62 SER HB3 . 18480 1 702 . 1 1 62 62 SER C C 13 173.207 0.3 . 1 . . . A 62 SER C . 18480 1 703 . 1 1 62 62 SER CA C 13 56.343 0.3 . 1 . . . A 62 SER CA . 18480 1 704 . 1 1 62 62 SER CB C 13 63.992 0.3 . 1 . . . A 62 SER CB . 18480 1 705 . 1 1 62 62 SER N N 15 113.733 0.3 . 1 . . . A 62 SER N . 18480 1 706 . 1 1 63 63 PRO HA H 1 4.702 0.020 . 1 . . . A 63 PRO HA . 18480 1 707 . 1 1 63 63 PRO HB2 H 1 2.030 0.020 . 2 . . . A 63 PRO HB2 . 18480 1 708 . 1 1 63 63 PRO HB3 H 1 2.550 0.020 . 2 . . . A 63 PRO HB3 . 18480 1 709 . 1 1 63 63 PRO HG2 H 1 2.083 0.020 . 2 . . . A 63 PRO HG2 . 18480 1 710 . 1 1 63 63 PRO HG3 H 1 2.264 0.020 . 2 . . . A 63 PRO HG3 . 18480 1 711 . 1 1 63 63 PRO HD2 H 1 3.951 0.020 . 2 . . . A 63 PRO HD2 . 18480 1 712 . 1 1 63 63 PRO HD3 H 1 4.015 0.020 . 2 . . . A 63 PRO HD3 . 18480 1 713 . 1 1 63 63 PRO CA C 13 66.300 0.3 . 1 . . . A 63 PRO CA . 18480 1 714 . 1 1 63 63 PRO CB C 13 32.236 0.3 . 1 . . . A 63 PRO CB . 18480 1 715 . 1 1 63 63 PRO CG C 13 28.297 0.3 . 1 . . . A 63 PRO CG . 18480 1 716 . 1 1 63 63 PRO CD C 13 50.547 0.3 . 1 . . . A 63 PRO CD . 18480 1 717 . 1 1 64 64 ASN H H 1 8.642 0.020 . 1 . . . A 64 ASN H . 18480 1 718 . 1 1 64 64 ASN HA H 1 4.402 0.020 . 1 . . . A 64 ASN HA . 18480 1 719 . 1 1 64 64 ASN HB2 H 1 2.699 0.020 . 2 . . . A 64 ASN HB2 . 18480 1 720 . 1 1 64 64 ASN HB3 H 1 2.791 0.020 . 2 . . . A 64 ASN HB3 . 18480 1 721 . 1 1 64 64 ASN HD21 H 1 7.118 0.020 . 1 . . . A 64 ASN HD21 . 18480 1 722 . 1 1 64 64 ASN HD22 H 1 7.625 0.020 . 1 . . . A 64 ASN HD22 . 18480 1 723 . 1 1 64 64 ASN CA C 13 56.251 0.3 . 1 . . . A 64 ASN CA . 18480 1 724 . 1 1 64 64 ASN CB C 13 38.037 0.3 . 1 . . . A 64 ASN CB . 18480 1 725 . 1 1 64 64 ASN N N 15 114.886 0.3 . 1 . . . A 64 ASN N . 18480 1 726 . 1 1 64 64 ASN ND2 N 15 111.789 0.3 . 1 . . . A 64 ASN ND2 . 18480 1 727 . 1 1 65 65 LYS H H 1 7.882 0.020 . 1 . . . A 65 LYS H . 18480 1 728 . 1 1 65 65 LYS HA H 1 3.806 0.020 . 1 . . . A 65 LYS HA . 18480 1 729 . 1 1 65 65 LYS HB2 H 1 1.520 0.020 . 2 . . . A 65 LYS HB2 . 18480 1 730 . 1 1 65 65 LYS HB3 H 1 1.815 0.020 . 2 . . . A 65 LYS HB3 . 18480 1 731 . 1 1 65 65 LYS HD2 H 1 1.631 0.020 . 2 . . . A 65 LYS HD2 . 18480 1 732 . 1 1 65 65 LYS HD3 H 1 1.862 0.020 . 2 . . . A 65 LYS HD3 . 18480 1 733 . 1 1 65 65 LYS HE2 H 1 2.970 0.020 . 2 . . . A 65 LYS HE2 . 18480 1 734 . 1 1 65 65 LYS HE3 H 1 3.008 0.020 . 2 . . . A 65 LYS HE3 . 18480 1 735 . 1 1 65 65 LYS C C 13 178.999 0.3 . 1 . . . A 65 LYS C . 18480 1 736 . 1 1 65 65 LYS CA C 13 60.878 0.3 . 1 . . . A 65 LYS CA . 18480 1 737 . 1 1 65 65 LYS CB C 13 33.237 0.3 . 1 . . . A 65 LYS CB . 18480 1 738 . 1 1 65 65 LYS CD C 13 30.035 0.3 . 1 . . . A 65 LYS CD . 18480 1 739 . 1 1 65 65 LYS CE C 13 42.439 0.3 . 1 . . . A 65 LYS CE . 18480 1 740 . 1 1 65 65 LYS N N 15 119.774 0.3 . 1 . . . A 65 LYS N . 18480 1 741 . 1 1 66 66 LEU H H 1 8.666 0.020 . 1 . . . A 66 LEU H . 18480 1 742 . 1 1 66 66 LEU HA H 1 4.022 0.020 . 1 . . . A 66 LEU HA . 18480 1 743 . 1 1 66 66 LEU HB2 H 1 1.217 0.020 . 2 . . . A 66 LEU HB2 . 18480 1 744 . 1 1 66 66 LEU HB3 H 1 2.372 0.020 . 2 . . . A 66 LEU HB3 . 18480 1 745 . 1 1 66 66 LEU HG H 1 1.691 0.020 . 1 . . . A 66 LEU HG . 18480 1 746 . 1 1 66 66 LEU HD11 H 1 0.541 0.020 . 2 . . . A 66 LEU HD11 . 18480 1 747 . 1 1 66 66 LEU HD12 H 1 0.541 0.020 . 2 . . . A 66 LEU HD12 . 18480 1 748 . 1 1 66 66 LEU HD13 H 1 0.541 0.020 . 2 . . . A 66 LEU HD13 . 18480 1 749 . 1 1 66 66 LEU HD21 H 1 0.765 0.020 . 2 . . . A 66 LEU HD21 . 18480 1 750 . 1 1 66 66 LEU HD22 H 1 0.765 0.020 . 2 . . . A 66 LEU HD22 . 18480 1 751 . 1 1 66 66 LEU HD23 H 1 0.765 0.020 . 2 . . . A 66 LEU HD23 . 18480 1 752 . 1 1 66 66 LEU C C 13 178.928 0.3 . 1 . . . A 66 LEU C . 18480 1 753 . 1 1 66 66 LEU CA C 13 57.917 0.3 . 1 . . . A 66 LEU CA . 18480 1 754 . 1 1 66 66 LEU CB C 13 41.533 0.3 . 1 . . . A 66 LEU CB . 18480 1 755 . 1 1 66 66 LEU CG C 13 27.486 0.3 . 1 . . . A 66 LEU CG . 18480 1 756 . 1 1 66 66 LEU CD1 C 13 25.113 0.3 . 1 . . . A 66 LEU CD1 . 18480 1 757 . 1 1 66 66 LEU CD2 C 13 23.222 0.3 . 1 . . . A 66 LEU CD2 . 18480 1 758 . 1 1 66 66 LEU N N 15 117.686 0.3 . 1 . . . A 66 LEU N . 18480 1 759 . 1 1 67 67 GLN H H 1 8.997 0.020 . 1 . . . A 67 GLN H . 18480 1 760 . 1 1 67 67 GLN HA H 1 3.292 0.020 . 1 . . . A 67 GLN HA . 18480 1 761 . 1 1 67 67 GLN HB2 H 1 1.588 0.020 . 2 . . . A 67 GLN HB2 . 18480 1 762 . 1 1 67 67 GLN HB3 H 1 1.835 0.020 . 2 . . . A 67 GLN HB3 . 18480 1 763 . 1 1 67 67 GLN HG2 H 1 1.588 0.020 . 2 . . . A 67 GLN HG2 . 18480 1 764 . 1 1 67 67 GLN HG3 H 1 0.847 0.020 . 2 . . . A 67 GLN HG3 . 18480 1 765 . 1 1 67 67 GLN HE21 H 1 6.641 0.020 . 1 . . . A 67 GLN HE21 . 18480 1 766 . 1 1 67 67 GLN HE22 H 1 6.785 0.020 . 1 . . . A 67 GLN HE22 . 18480 1 767 . 1 1 67 67 GLN C C 13 178.789 0.3 . 1 . . . A 67 GLN C . 18480 1 768 . 1 1 67 67 GLN CA C 13 59.891 0.3 . 1 . . . A 67 GLN CA . 18480 1 769 . 1 1 67 67 GLN CB C 13 28.159 0.3 . 1 . . . A 67 GLN CB . 18480 1 770 . 1 1 67 67 GLN CG C 13 33.000 0.3 . 1 . . . A 67 GLN CG . 18480 1 771 . 1 1 67 67 GLN N N 15 124.469 0.3 . 1 . . . A 67 GLN N . 18480 1 772 . 1 1 67 67 GLN NE2 N 15 109.996 0.3 . 1 . . . A 67 GLN NE2 . 18480 1 773 . 1 1 68 68 ALA H H 1 7.427 0.020 . 1 . . . A 68 ALA H . 18480 1 774 . 1 1 68 68 ALA HA H 1 3.810 0.020 . 1 . . . A 68 ALA HA . 18480 1 775 . 1 1 68 68 ALA HB1 H 1 1.463 0.020 . 1 . . . A 68 ALA HB1 . 18480 1 776 . 1 1 68 68 ALA HB2 H 1 1.463 0.020 . 1 . . . A 68 ALA HB2 . 18480 1 777 . 1 1 68 68 ALA HB3 H 1 1.463 0.020 . 1 . . . A 68 ALA HB3 . 18480 1 778 . 1 1 68 68 ALA C C 13 180.320 0.3 . 1 . . . A 68 ALA C . 18480 1 779 . 1 1 68 68 ALA CA C 13 55.503 0.3 . 1 . . . A 68 ALA CA . 18480 1 780 . 1 1 68 68 ALA CB C 13 18.212 0.3 . 1 . . . A 68 ALA CB . 18480 1 781 . 1 1 68 68 ALA N N 15 121.986 0.3 . 1 . . . A 68 ALA N . 18480 1 782 . 1 1 69 69 LEU H H 1 8.143 0.020 . 1 . . . A 69 LEU H . 18480 1 783 . 1 1 69 69 LEU HA H 1 4.052 0.020 . 1 . . . A 69 LEU HA . 18480 1 784 . 1 1 69 69 LEU HB2 H 1 1.822 0.020 . 2 . . . A 69 LEU HB2 . 18480 1 785 . 1 1 69 69 LEU HB3 H 1 1.339 0.020 . 2 . . . A 69 LEU HB3 . 18480 1 786 . 1 1 69 69 LEU HG H 1 1.721 0.020 . 1 . . . A 69 LEU HG . 18480 1 787 . 1 1 69 69 LEU HD11 H 1 0.723 0.020 . 2 . . . A 69 LEU HD11 . 18480 1 788 . 1 1 69 69 LEU HD12 H 1 0.723 0.020 . 2 . . . A 69 LEU HD12 . 18480 1 789 . 1 1 69 69 LEU HD13 H 1 0.723 0.020 . 2 . . . A 69 LEU HD13 . 18480 1 790 . 1 1 69 69 LEU HD21 H 1 0.860 0.020 . 2 . . . A 69 LEU HD21 . 18480 1 791 . 1 1 69 69 LEU HD22 H 1 0.860 0.020 . 2 . . . A 69 LEU HD22 . 18480 1 792 . 1 1 69 69 LEU HD23 H 1 0.860 0.020 . 2 . . . A 69 LEU HD23 . 18480 1 793 . 1 1 69 69 LEU C C 13 178.864 0.3 . 1 . . . A 69 LEU C . 18480 1 794 . 1 1 69 69 LEU CA C 13 57.747 0.3 . 1 . . . A 69 LEU CA . 18480 1 795 . 1 1 69 69 LEU CB C 13 41.894 0.3 . 1 . . . A 69 LEU CB . 18480 1 796 . 1 1 69 69 LEU CG C 13 27.494 0.3 . 1 . . . A 69 LEU CG . 18480 1 797 . 1 1 69 69 LEU CD1 C 13 25.642 0.3 . 1 . . . A 69 LEU CD1 . 18480 1 798 . 1 1 69 69 LEU CD2 C 13 23.573 0.3 . 1 . . . A 69 LEU CD2 . 18480 1 799 . 1 1 69 69 LEU N N 15 118.881 0.3 . 1 . . . A 69 LEU N . 18480 1 800 . 1 1 70 70 ASN H H 1 8.456 0.020 . 1 . . . A 70 ASN H . 18480 1 801 . 1 1 70 70 ASN HA H 1 4.391 0.020 . 1 . . . A 70 ASN HA . 18480 1 802 . 1 1 70 70 ASN HB2 H 1 2.388 0.020 . 2 . . . A 70 ASN HB2 . 18480 1 803 . 1 1 70 70 ASN HB3 H 1 2.666 0.020 . 2 . . . A 70 ASN HB3 . 18480 1 804 . 1 1 70 70 ASN HD21 H 1 6.933 0.020 . 1 . . . A 70 ASN HD21 . 18480 1 805 . 1 1 70 70 ASN HD22 H 1 6.933 0.020 . 1 . . . A 70 ASN HD22 . 18480 1 806 . 1 1 70 70 ASN C C 13 177.483 0.3 . 1 . . . A 70 ASN C . 18480 1 807 . 1 1 70 70 ASN CA C 13 57.784 0.3 . 1 . . . A 70 ASN CA . 18480 1 808 . 1 1 70 70 ASN CB C 13 39.472 0.3 . 1 . . . A 70 ASN CB . 18480 1 809 . 1 1 70 70 ASN N N 15 119.848 0.3 . 1 . . . A 70 ASN N . 18480 1 810 . 1 1 70 70 ASN ND2 N 15 105.080 0.3 . 1 . . . A 70 ASN ND2 . 18480 1 811 . 1 1 71 71 MET H H 1 7.757 0.020 . 1 . . . A 71 MET H . 18480 1 812 . 1 1 71 71 MET HA H 1 4.769 0.020 . 1 . . . A 71 MET HA . 18480 1 813 . 1 1 71 71 MET HB2 H 1 1.740 0.020 . 2 . . . A 71 MET HB2 . 18480 1 814 . 1 1 71 71 MET HB3 H 1 1.856 0.020 . 2 . . . A 71 MET HB3 . 18480 1 815 . 1 1 71 71 MET HG2 H 1 2.442 0.020 . 2 . . . A 71 MET HG2 . 18480 1 816 . 1 1 71 71 MET HG3 H 1 2.179 0.020 . 2 . . . A 71 MET HG3 . 18480 1 817 . 1 1 71 71 MET HE1 H 1 1.292 0.020 . 1 . . . A 71 MET HE1 . 18480 1 818 . 1 1 71 71 MET HE2 H 1 1.292 0.020 . 1 . . . A 71 MET HE2 . 18480 1 819 . 1 1 71 71 MET HE3 H 1 1.292 0.020 . 1 . . . A 71 MET HE3 . 18480 1 820 . 1 1 71 71 MET C C 13 178.279 0.3 . 1 . . . A 71 MET C . 18480 1 821 . 1 1 71 71 MET CA C 13 56.415 0.3 . 1 . . . A 71 MET CA . 18480 1 822 . 1 1 71 71 MET CB C 13 29.788 0.3 . 1 . . . A 71 MET CB . 18480 1 823 . 1 1 71 71 MET CG C 13 33.221 0.3 . 1 . . . A 71 MET CG . 18480 1 824 . 1 1 71 71 MET CE C 13 16.438 0.3 . 1 . . . A 71 MET CE . 18480 1 825 . 1 1 71 71 MET N N 15 118.843 0.3 . 1 . . . A 71 MET N . 18480 1 826 . 1 1 72 72 ALA H H 1 8.559 0.020 . 1 . . . A 72 ALA H . 18480 1 827 . 1 1 72 72 ALA HA H 1 4.242 0.020 . 1 . . . A 72 ALA HA . 18480 1 828 . 1 1 72 72 ALA HB1 H 1 1.638 0.020 . 1 . . . A 72 ALA HB1 . 18480 1 829 . 1 1 72 72 ALA HB2 H 1 1.638 0.020 . 1 . . . A 72 ALA HB2 . 18480 1 830 . 1 1 72 72 ALA HB3 H 1 1.638 0.020 . 1 . . . A 72 ALA HB3 . 18480 1 831 . 1 1 72 72 ALA C C 13 179.059 0.3 . 1 . . . A 72 ALA C . 18480 1 832 . 1 1 72 72 ALA CA C 13 55.126 0.3 . 1 . . . A 72 ALA CA . 18480 1 833 . 1 1 72 72 ALA CB C 13 18.923 0.3 . 1 . . . A 72 ALA CB . 18480 1 834 . 1 1 72 72 ALA N N 15 126.265 0.3 . 1 . . . A 72 ALA N . 18480 1 835 . 1 1 73 73 PHE H H 1 8.337 0.020 . 1 . . . A 73 PHE H . 18480 1 836 . 1 1 73 73 PHE HA H 1 4.063 0.020 . 1 . . . A 73 PHE HA . 18480 1 837 . 1 1 73 73 PHE HB2 H 1 3.364 0.020 . 2 . . . A 73 PHE HB2 . 18480 1 838 . 1 1 73 73 PHE HB3 H 1 3.459 0.020 . 2 . . . A 73 PHE HB3 . 18480 1 839 . 1 1 73 73 PHE HD1 H 1 7.210 0.020 . 1 . . . A 73 PHE HD1 . 18480 1 840 . 1 1 73 73 PHE HD2 H 1 7.210 0.020 . 1 . . . A 73 PHE HD2 . 18480 1 841 . 1 1 73 73 PHE HE1 H 1 6.852 0.020 . 1 . . . A 73 PHE HE1 . 18480 1 842 . 1 1 73 73 PHE HE2 H 1 6.852 0.020 . 1 . . . A 73 PHE HE2 . 18480 1 843 . 1 1 73 73 PHE HZ H 1 7.109 0.020 . 1 . . . A 73 PHE HZ . 18480 1 844 . 1 1 73 73 PHE C C 13 177.258 0.3 . 1 . . . A 73 PHE C . 18480 1 845 . 1 1 73 73 PHE CA C 13 61.072 0.3 . 1 . . . A 73 PHE CA . 18480 1 846 . 1 1 73 73 PHE CB C 13 39.305 0.3 . 1 . . . A 73 PHE CB . 18480 1 847 . 1 1 73 73 PHE CD1 C 13 132.251 0.3 . 1 . . . A 73 PHE CD1 . 18480 1 848 . 1 1 73 73 PHE CD2 C 13 132.071 0.3 . 1 . . . A 73 PHE CD2 . 18480 1 849 . 1 1 73 73 PHE CE1 C 13 130.088 0.3 . 1 . . . A 73 PHE CE1 . 18480 1 850 . 1 1 73 73 PHE CE2 C 13 130.088 0.3 . 1 . . . A 73 PHE CE2 . 18480 1 851 . 1 1 73 73 PHE CZ C 13 129.481 0.3 . 1 . . . A 73 PHE CZ . 18480 1 852 . 1 1 73 73 PHE N N 15 118.887 0.3 . 1 . . . A 73 PHE N . 18480 1 853 . 1 1 74 74 ALA H H 1 8.540 0.020 . 1 . . . A 74 ALA H . 18480 1 854 . 1 1 74 74 ALA HA H 1 3.231 0.020 . 1 . . . A 74 ALA HA . 18480 1 855 . 1 1 74 74 ALA HB1 H 1 1.529 0.020 . 1 . . . A 74 ALA HB1 . 18480 1 856 . 1 1 74 74 ALA HB2 H 1 1.529 0.020 . 1 . . . A 74 ALA HB2 . 18480 1 857 . 1 1 74 74 ALA HB3 H 1 1.529 0.020 . 1 . . . A 74 ALA HB3 . 18480 1 858 . 1 1 74 74 ALA C C 13 179.374 0.3 . 1 . . . A 74 ALA C . 18480 1 859 . 1 1 74 74 ALA CA C 13 55.816 0.3 . 1 . . . A 74 ALA CA . 18480 1 860 . 1 1 74 74 ALA CB C 13 18.881 0.3 . 1 . . . A 74 ALA CB . 18480 1 861 . 1 1 74 74 ALA N N 15 122.360 0.3 . 1 . . . A 74 ALA N . 18480 1 862 . 1 1 75 75 SER H H 1 8.859 0.020 . 1 . . . A 75 SER H . 18480 1 863 . 1 1 75 75 SER HA H 1 3.858 0.020 . 1 . . . A 75 SER HA . 18480 1 864 . 1 1 75 75 SER HB2 H 1 4.131 0.020 . 2 . . . A 75 SER HB2 . 18480 1 865 . 1 1 75 75 SER HB3 H 1 3.996 0.020 . 2 . . . A 75 SER HB3 . 18480 1 866 . 1 1 75 75 SER CA C 13 62.251 0.3 . 1 . . . A 75 SER CA . 18480 1 867 . 1 1 75 75 SER CB C 13 62.874 0.3 . 1 . . . A 75 SER CB . 18480 1 868 . 1 1 75 75 SER N N 15 112.265 0.3 . 1 . . . A 75 SER N . 18480 1 869 . 1 1 76 76 SER H H 1 8.065 0.020 . 1 . . . A 76 SER H . 18480 1 870 . 1 1 76 76 SER HA H 1 3.964 0.020 . 1 . . . A 76 SER HA . 18480 1 871 . 1 1 76 76 SER HB2 H 1 3.753 0.020 . 2 . . . A 76 SER HB2 . 18480 1 872 . 1 1 76 76 SER HB3 H 1 3.785 0.020 . 2 . . . A 76 SER HB3 . 18480 1 873 . 1 1 76 76 SER CA C 13 63.066 0.3 . 1 . . . A 76 SER CA . 18480 1 874 . 1 1 76 76 SER CB C 13 63.377 0.3 . 1 . . . A 76 SER CB . 18480 1 875 . 1 1 76 76 SER N N 15 118.859 0.3 . 1 . . . A 76 SER N . 18480 1 876 . 1 1 77 77 MET H H 1 7.397 0.020 . 1 . . . A 77 MET H . 18480 1 877 . 1 1 77 77 MET HA H 1 4.234 0.020 . 1 . . . A 77 MET HA . 18480 1 878 . 1 1 77 77 MET HB2 H 1 1.414 0.020 . 2 . . . A 77 MET HB2 . 18480 1 879 . 1 1 77 77 MET HB3 H 1 1.910 0.020 . 2 . . . A 77 MET HB3 . 18480 1 880 . 1 1 77 77 MET HG2 H 1 1.664 0.020 . 2 . . . A 77 MET HG2 . 18480 1 881 . 1 1 77 77 MET HG3 H 1 1.912 0.020 . 2 . . . A 77 MET HG3 . 18480 1 882 . 1 1 77 77 MET HE1 H 1 1.541 0.020 . 1 . . . A 77 MET HE1 . 18480 1 883 . 1 1 77 77 MET HE2 H 1 1.541 0.020 . 1 . . . A 77 MET HE2 . 18480 1 884 . 1 1 77 77 MET HE3 H 1 1.541 0.020 . 1 . . . A 77 MET HE3 . 18480 1 885 . 1 1 77 77 MET C C 13 178.354 0.3 . 1 . . . A 77 MET C . 18480 1 886 . 1 1 77 77 MET CA C 13 57.167 0.3 . 1 . . . A 77 MET CA . 18480 1 887 . 1 1 77 77 MET CB C 13 32.728 0.3 . 1 . . . A 77 MET CB . 18480 1 888 . 1 1 77 77 MET CG C 13 32.052 0.3 . 1 . . . A 77 MET CG . 18480 1 889 . 1 1 77 77 MET CE C 13 18.701 0.3 . 1 . . . A 77 MET CE . 18480 1 890 . 1 1 77 77 MET N N 15 120.030 0.3 . 1 . . . A 77 MET N . 18480 1 891 . 1 1 78 78 ALA H H 1 7.908 0.020 . 1 . . . A 78 ALA H . 18480 1 892 . 1 1 78 78 ALA HA H 1 3.903 0.020 . 1 . . . A 78 ALA HA . 18480 1 893 . 1 1 78 78 ALA HB1 H 1 1.436 0.020 . 1 . . . A 78 ALA HB1 . 18480 1 894 . 1 1 78 78 ALA HB2 H 1 1.436 0.020 . 1 . . . A 78 ALA HB2 . 18480 1 895 . 1 1 78 78 ALA HB3 H 1 1.436 0.020 . 1 . . . A 78 ALA HB3 . 18480 1 896 . 1 1 78 78 ALA C C 13 178.354 0.3 . 1 . . . A 78 ALA C . 18480 1 897 . 1 1 78 78 ALA CA C 13 55.140 0.3 . 1 . . . A 78 ALA CA . 18480 1 898 . 1 1 78 78 ALA CB C 13 19.101 0.3 . 1 . . . A 78 ALA CB . 18480 1 899 . 1 1 78 78 ALA N N 15 119.880 0.3 . 1 . . . A 78 ALA N . 18480 1 900 . 1 1 79 79 GLU H H 1 8.576 0.020 . 1 . . . A 79 GLU H . 18480 1 901 . 1 1 79 79 GLU HA H 1 3.939 0.020 . 1 . . . A 79 GLU HA . 18480 1 902 . 1 1 79 79 GLU HB2 H 1 1.736 0.020 . 2 . . . A 79 GLU HB2 . 18480 1 903 . 1 1 79 79 GLU HB3 H 1 1.860 0.020 . 2 . . . A 79 GLU HB3 . 18480 1 904 . 1 1 79 79 GLU C C 13 178.894 0.3 . 1 . . . A 79 GLU C . 18480 1 905 . 1 1 79 79 GLU CA C 13 59.700 0.3 . 1 . . . A 79 GLU CA . 18480 1 906 . 1 1 79 79 GLU CB C 13 29.647 0.3 . 1 . . . A 79 GLU CB . 18480 1 907 . 1 1 79 79 GLU CG C 13 33.080 0.3 . 1 . . . A 79 GLU CG . 18480 1 908 . 1 1 79 79 GLU N N 15 117.907 0.3 . 1 . . . A 79 GLU N . 18480 1 909 . 1 1 80 80 ILE H H 1 8.065 0.020 . 1 . . . A 80 ILE H . 18480 1 910 . 1 1 80 80 ILE HA H 1 3.602 0.020 . 1 . . . A 80 ILE HA . 18480 1 911 . 1 1 80 80 ILE HB H 1 1.883 0.020 . 1 . . . A 80 ILE HB . 18480 1 912 . 1 1 80 80 ILE HG12 H 1 1.121 0.020 . 2 . . . A 80 ILE HG12 . 18480 1 913 . 1 1 80 80 ILE HG13 H 1 1.742 0.020 . 2 . . . A 80 ILE HG13 . 18480 1 914 . 1 1 80 80 ILE HG21 H 1 0.916 0.020 . 1 . . . A 80 ILE HG21 . 18480 1 915 . 1 1 80 80 ILE HG22 H 1 0.916 0.020 . 1 . . . A 80 ILE HG22 . 18480 1 916 . 1 1 80 80 ILE HG23 H 1 0.916 0.020 . 1 . . . A 80 ILE HG23 . 18480 1 917 . 1 1 80 80 ILE HD11 H 1 0.633 0.020 . 1 . . . A 80 ILE HD11 . 18480 1 918 . 1 1 80 80 ILE HD12 H 1 0.633 0.020 . 1 . . . A 80 ILE HD12 . 18480 1 919 . 1 1 80 80 ILE HD13 H 1 0.633 0.020 . 1 . . . A 80 ILE HD13 . 18480 1 920 . 1 1 80 80 ILE C C 13 179.014 0.3 . 1 . . . A 80 ILE C . 18480 1 921 . 1 1 80 80 ILE CA C 13 65.131 0.3 . 1 . . . A 80 ILE CA . 18480 1 922 . 1 1 80 80 ILE CB C 13 37.625 0.3 . 1 . . . A 80 ILE CB . 18480 1 923 . 1 1 80 80 ILE CG1 C 13 29.448 0.3 . 1 . . . A 80 ILE CG1 . 18480 1 924 . 1 1 80 80 ILE CG2 C 13 17.309 0.3 . 1 . . . A 80 ILE CG2 . 18480 1 925 . 1 1 80 80 ILE CD1 C 13 13.262 0.3 . 1 . . . A 80 ILE CD1 . 18480 1 926 . 1 1 80 80 ILE N N 15 121.918 0.3 . 1 . . . A 80 ILE N . 18480 1 927 . 1 1 81 81 ALA H H 1 8.169 0.020 . 1 . . . A 81 ALA H . 18480 1 928 . 1 1 81 81 ALA HA H 1 4.148 0.020 . 1 . . . A 81 ALA HA . 18480 1 929 . 1 1 81 81 ALA HB1 H 1 1.569 0.020 . 1 . . . A 81 ALA HB1 . 18480 1 930 . 1 1 81 81 ALA HB2 H 1 1.569 0.020 . 1 . . . A 81 ALA HB2 . 18480 1 931 . 1 1 81 81 ALA HB3 H 1 1.569 0.020 . 1 . . . A 81 ALA HB3 . 18480 1 932 . 1 1 81 81 ALA C C 13 177.258 0.3 . 1 . . . A 81 ALA C . 18480 1 933 . 1 1 81 81 ALA CA C 13 55.140 0.3 . 1 . . . A 81 ALA CA . 18480 1 934 . 1 1 81 81 ALA CB C 13 19.155 0.3 . 1 . . . A 81 ALA CB . 18480 1 935 . 1 1 81 81 ALA N N 15 120.266 0.3 . 1 . . . A 81 ALA N . 18480 1 936 . 1 1 82 82 ALA H H 1 8.019 0.020 . 1 . . . A 82 ALA H . 18480 1 937 . 1 1 82 82 ALA HA H 1 4.051 0.020 . 1 . . . A 82 ALA HA . 18480 1 938 . 1 1 82 82 ALA HB1 H 1 1.561 0.020 . 1 . . . A 82 ALA HB1 . 18480 1 939 . 1 1 82 82 ALA HB2 H 1 1.561 0.020 . 1 . . . A 82 ALA HB2 . 18480 1 940 . 1 1 82 82 ALA HB3 H 1 1.561 0.020 . 1 . . . A 82 ALA HB3 . 18480 1 941 . 1 1 82 82 ALA C C 13 177.693 0.3 . 1 . . . A 82 ALA C . 18480 1 942 . 1 1 82 82 ALA CA C 13 53.767 0.3 . 1 . . . A 82 ALA CA . 18480 1 943 . 1 1 82 82 ALA CB C 13 20.999 0.3 . 1 . . . A 82 ALA CB . 18480 1 944 . 1 1 82 82 ALA N N 15 114.813 0.3 . 1 . . . A 82 ALA N . 18480 1 945 . 1 1 83 83 SER H H 1 7.823 0.020 . 1 . . . A 83 SER H . 18480 1 946 . 1 1 83 83 SER HA H 1 4.415 0.020 . 1 . . . A 83 SER HA . 18480 1 947 . 1 1 83 83 SER HB2 H 1 3.771 0.020 . 1 . . . A 83 SER HB2 . 18480 1 948 . 1 1 83 83 SER HB3 H 1 3.771 0.020 . 1 . . . A 83 SER HB3 . 18480 1 949 . 1 1 83 83 SER C C 13 174.856 0.3 . 1 . . . A 83 SER C . 18480 1 950 . 1 1 83 83 SER CA C 13 59.772 0.3 . 1 . . . A 83 SER CA . 18480 1 951 . 1 1 83 83 SER CB C 13 64.952 0.3 . 1 . . . A 83 SER CB . 18480 1 952 . 1 1 83 83 SER N N 15 110.140 0.3 . 1 . . . A 83 SER N . 18480 1 953 . 1 1 84 84 GLU H H 1 7.666 0.020 . 1 . . . A 84 GLU H . 18480 1 954 . 1 1 84 84 GLU HA H 1 4.501 0.020 . 1 . . . A 84 GLU HA . 18480 1 955 . 1 1 84 84 GLU HB2 H 1 2.134 0.020 . 1 . . . A 84 GLU HB2 . 18480 1 956 . 1 1 84 84 GLU HB3 H 1 2.134 0.020 . 1 . . . A 84 GLU HB3 . 18480 1 957 . 1 1 84 84 GLU HG2 H 1 2.259 0.020 . 2 . . . A 84 GLU HG2 . 18480 1 958 . 1 1 84 84 GLU HG3 H 1 2.649 0.020 . 2 . . . A 84 GLU HG3 . 18480 1 959 . 1 1 84 84 GLU C C 13 176.597 0.3 . 1 . . . A 84 GLU C . 18480 1 960 . 1 1 84 84 GLU CA C 13 56.596 0.3 . 1 . . . A 84 GLU CA . 18480 1 961 . 1 1 84 84 GLU CB C 13 28.537 0.3 . 1 . . . A 84 GLU CB . 18480 1 962 . 1 1 84 84 GLU CG C 13 34.605 0.3 . 1 . . . A 84 GLU CG . 18480 1 963 . 1 1 84 84 GLU N N 15 120.696 0.3 . 1 . . . A 84 GLU N . 18480 1 964 . 1 1 85 85 GLU H H 1 8.735 0.020 . 1 . . . A 85 GLU H . 18480 1 965 . 1 1 85 85 GLU HA H 1 4.262 0.020 . 1 . . . A 85 GLU HA . 18480 1 966 . 1 1 85 85 GLU HB2 H 1 1.981 0.020 . 2 . . . A 85 GLU HB2 . 18480 1 967 . 1 1 85 85 GLU HB3 H 1 2.062 0.020 . 2 . . . A 85 GLU HB3 . 18480 1 968 . 1 1 85 85 GLU HG2 H 1 2.271 0.020 . 2 . . . A 85 GLU HG2 . 18480 1 969 . 1 1 85 85 GLU HG3 H 1 2.305 0.020 . 2 . . . A 85 GLU HG3 . 18480 1 970 . 1 1 85 85 GLU C C 13 177.258 0.3 . 1 . . . A 85 GLU C . 18480 1 971 . 1 1 85 85 GLU CA C 13 56.845 0.3 . 1 . . . A 85 GLU CA . 18480 1 972 . 1 1 85 85 GLU CB C 13 30.803 0.3 . 1 . . . A 85 GLU CB . 18480 1 973 . 1 1 85 85 GLU CG C 13 36.182 0.3 . 1 . . . A 85 GLU CG . 18480 1 974 . 1 1 85 85 GLU N N 15 124.951 0.3 . 1 . . . A 85 GLU N . 18480 1 975 . 1 1 86 86 GLY H H 1 8.609 0.020 . 1 . . . A 86 GLY H . 18480 1 976 . 1 1 86 86 GLY HA2 H 1 3.789 0.020 . 2 . . . A 86 GLY HA2 . 18480 1 977 . 1 1 86 86 GLY HA3 H 1 4.380 0.020 . 2 . . . A 86 GLY HA3 . 18480 1 978 . 1 1 86 86 GLY C C 13 174.856 0.3 . 1 . . . A 86 GLY C . 18480 1 979 . 1 1 86 86 GLY CA C 13 44.390 0.3 . 1 . . . A 86 GLY CA . 18480 1 980 . 1 1 86 86 GLY N N 15 110.356 0.3 . 1 . . . A 86 GLY N . 18480 1 981 . 1 1 87 87 GLY H H 1 7.931 0.020 . 1 . . . A 87 GLY H . 18480 1 982 . 1 1 87 87 GLY HA2 H 1 3.725 0.020 . 2 . . . A 87 GLY HA2 . 18480 1 983 . 1 1 87 87 GLY HA3 H 1 4.101 0.020 . 2 . . . A 87 GLY HA3 . 18480 1 984 . 1 1 87 87 GLY C C 13 174.436 0.3 . 1 . . . A 87 GLY C . 18480 1 985 . 1 1 87 87 GLY CA C 13 44.260 0.3 . 1 . . . A 87 GLY CA . 18480 1 986 . 1 1 87 87 GLY N N 15 107.569 0.3 . 1 . . . A 87 GLY N . 18480 1 987 . 1 1 88 88 GLY H H 1 8.650 0.020 . 1 . . . A 88 GLY H . 18480 1 988 . 1 1 88 88 GLY HA2 H 1 3.591 0.020 . 2 . . . A 88 GLY HA2 . 18480 1 989 . 1 1 88 88 GLY HA3 H 1 3.966 0.020 . 2 . . . A 88 GLY HA3 . 18480 1 990 . 1 1 88 88 GLY C C 13 173.325 0.3 . 1 . . . A 88 GLY C . 18480 1 991 . 1 1 88 88 GLY CA C 13 45.166 0.3 . 1 . . . A 88 GLY CA . 18480 1 992 . 1 1 88 88 GLY N N 15 109.889 0.3 . 1 . . . A 88 GLY N . 18480 1 993 . 1 1 89 89 SER H H 1 8.640 0.020 . 1 . . . A 89 SER H . 18480 1 994 . 1 1 89 89 SER HA H 1 4.411 0.020 . 1 . . . A 89 SER HA . 18480 1 995 . 1 1 89 89 SER HB2 H 1 4.028 0.020 . 2 . . . A 89 SER HB2 . 18480 1 996 . 1 1 89 89 SER HB3 H 1 4.107 0.020 . 2 . . . A 89 SER HB3 . 18480 1 997 . 1 1 89 89 SER C C 13 175.066 0.3 . 1 . . . A 89 SER C . 18480 1 998 . 1 1 89 89 SER CA C 13 57.363 0.3 . 1 . . . A 89 SER CA . 18480 1 999 . 1 1 89 89 SER CB C 13 62.483 0.3 . 1 . . . A 89 SER CB . 18480 1 1000 . 1 1 89 89 SER N N 15 114.731 0.3 . 1 . . . A 89 SER N . 18480 1 1001 . 1 1 90 90 LEU H H 1 8.976 0.020 . 1 . . . A 90 LEU H . 18480 1 1002 . 1 1 90 90 LEU HA H 1 3.975 0.020 . 1 . . . A 90 LEU HA . 18480 1 1003 . 1 1 90 90 LEU HB2 H 1 1.695 0.020 . 1 . . . A 90 LEU HB2 . 18480 1 1004 . 1 1 90 90 LEU HB3 H 1 1.695 0.020 . 1 . . . A 90 LEU HB3 . 18480 1 1005 . 1 1 90 90 LEU HG H 1 1.551 0.020 . 1 . . . A 90 LEU HG . 18480 1 1006 . 1 1 90 90 LEU HD11 H 1 0.864 0.020 . 2 . . . A 90 LEU HD11 . 18480 1 1007 . 1 1 90 90 LEU HD12 H 1 0.864 0.020 . 2 . . . A 90 LEU HD12 . 18480 1 1008 . 1 1 90 90 LEU HD13 H 1 0.864 0.020 . 2 . . . A 90 LEU HD13 . 18480 1 1009 . 1 1 90 90 LEU HD21 H 1 0.852 0.020 . 2 . . . A 90 LEU HD21 . 18480 1 1010 . 1 1 90 90 LEU HD22 H 1 0.852 0.020 . 2 . . . A 90 LEU HD22 . 18480 1 1011 . 1 1 90 90 LEU HD23 H 1 0.852 0.020 . 2 . . . A 90 LEU HD23 . 18480 1 1012 . 1 1 90 90 LEU C C 13 179.434 0.3 . 1 . . . A 90 LEU C . 18480 1 1013 . 1 1 90 90 LEU CA C 13 58.343 0.3 . 1 . . . A 90 LEU CA . 18480 1 1014 . 1 1 90 90 LEU CB C 13 41.364 0.3 . 1 . . . A 90 LEU CB . 18480 1 1015 . 1 1 90 90 LEU CG C 13 27.161 0.3 . 1 . . . A 90 LEU CG . 18480 1 1016 . 1 1 90 90 LEU CD1 C 13 23.945 0.3 . 1 . . . A 90 LEU CD1 . 18480 1 1017 . 1 1 90 90 LEU CD2 C 13 25.442 0.3 . 1 . . . A 90 LEU CD2 . 18480 1 1018 . 1 1 90 90 LEU N N 15 123.210 0.3 . 1 . . . A 90 LEU N . 18480 1 1019 . 1 1 91 91 SER H H 1 8.612 0.020 . 1 . . . A 91 SER H . 18480 1 1020 . 1 1 91 91 SER HA H 1 4.149 0.020 . 1 . . . A 91 SER HA . 18480 1 1021 . 1 1 91 91 SER HB2 H 1 3.879 0.020 . 1 . . . A 91 SER HB2 . 18480 1 1022 . 1 1 91 91 SER HB3 H 1 3.879 0.020 . 1 . . . A 91 SER HB3 . 18480 1 1023 . 1 1 91 91 SER C C 13 177.325 0.3 . 1 . . . A 91 SER C . 18480 1 1024 . 1 1 91 91 SER CA C 13 61.794 0.3 . 1 . . . A 91 SER CA . 18480 1 1025 . 1 1 91 91 SER CB C 13 62.276 0.3 . 1 . . . A 91 SER CB . 18480 1 1026 . 1 1 91 91 SER N N 15 115.789 0.3 . 1 . . . A 91 SER N . 18480 1 1027 . 1 1 92 92 THR H H 1 7.871 0.020 . 1 . . . A 92 THR H . 18480 1 1028 . 1 1 92 92 THR HA H 1 3.919 0.020 . 1 . . . A 92 THR HA . 18480 1 1029 . 1 1 92 92 THR HB H 1 4.101 0.020 . 1 . . . A 92 THR HB . 18480 1 1030 . 1 1 92 92 THR HG21 H 1 1.052 0.020 . 1 . . . A 92 THR HG21 . 18480 1 1031 . 1 1 92 92 THR HG22 H 1 1.052 0.020 . 1 . . . A 92 THR HG22 . 18480 1 1032 . 1 1 92 92 THR HG23 H 1 1.052 0.020 . 1 . . . A 92 THR HG23 . 18480 1 1033 . 1 1 92 92 THR C C 13 176.162 0.3 . 1 . . . A 92 THR C . 18480 1 1034 . 1 1 92 92 THR CA C 13 66.719 0.3 . 1 . . . A 92 THR CA . 18480 1 1035 . 1 1 92 92 THR CB C 13 68.236 0.3 . 1 . . . A 92 THR CB . 18480 1 1036 . 1 1 92 92 THR CG2 C 13 21.676 0.3 . 1 . . . A 92 THR CG2 . 18480 1 1037 . 1 1 92 92 THR N N 15 122.677 0.3 . 1 . . . A 92 THR N . 18480 1 1038 . 1 1 93 93 LYS H H 1 8.263 0.020 . 1 . . . A 93 LYS H . 18480 1 1039 . 1 1 93 93 LYS HA H 1 3.569 0.020 . 1 . . . A 93 LYS HA . 18480 1 1040 . 1 1 93 93 LYS HB2 H 1 1.503 0.020 . 2 . . . A 93 LYS HB2 . 18480 1 1041 . 1 1 93 93 LYS HB3 H 1 1.777 0.020 . 2 . . . A 93 LYS HB3 . 18480 1 1042 . 1 1 93 93 LYS HG2 H 1 0.110 0.020 . 2 . . . A 93 LYS HG2 . 18480 1 1043 . 1 1 93 93 LYS HG3 H 1 1.058 0.020 . 2 . . . A 93 LYS HG3 . 18480 1 1044 . 1 1 93 93 LYS HD2 H 1 1.361 0.020 . 2 . . . A 93 LYS HD2 . 18480 1 1045 . 1 1 93 93 LYS HD3 H 1 1.555 0.020 . 2 . . . A 93 LYS HD3 . 18480 1 1046 . 1 1 93 93 LYS HE2 H 1 2.872 0.020 . 2 . . . A 93 LYS HE2 . 18480 1 1047 . 1 1 93 93 LYS HE3 H 1 3.061 0.020 . 2 . . . A 93 LYS HE3 . 18480 1 1048 . 1 1 93 93 LYS CA C 13 60.652 0.3 . 1 . . . A 93 LYS CA . 18480 1 1049 . 1 1 93 93 LYS CB C 13 33.728 0.3 . 1 . . . A 93 LYS CB . 18480 1 1050 . 1 1 93 93 LYS CG C 13 25.842 0.3 . 1 . . . A 93 LYS CG . 18480 1 1051 . 1 1 93 93 LYS CD C 13 30.417 0.3 . 1 . . . A 93 LYS CD . 18480 1 1052 . 1 1 93 93 LYS CE C 13 42.560 0.3 . 1 . . . A 93 LYS CE . 18480 1 1053 . 1 1 93 93 LYS N N 15 119.820 0.3 . 1 . . . A 93 LYS N . 18480 1 1054 . 1 1 94 94 THR H H 1 8.448 0.020 . 1 . . . A 94 THR H . 18480 1 1055 . 1 1 94 94 THR HA H 1 3.692 0.020 . 1 . . . A 94 THR HA . 18480 1 1056 . 1 1 94 94 THR HB H 1 4.309 0.020 . 1 . . . A 94 THR HB . 18480 1 1057 . 1 1 94 94 THR HG21 H 1 1.256 0.020 . 1 . . . A 94 THR HG21 . 18480 1 1058 . 1 1 94 94 THR HG22 H 1 1.256 0.020 . 1 . . . A 94 THR HG22 . 18480 1 1059 . 1 1 94 94 THR HG23 H 1 1.256 0.020 . 1 . . . A 94 THR HG23 . 18480 1 1060 . 1 1 94 94 THR C C 13 177.033 0.3 . 1 . . . A 94 THR C . 18480 1 1061 . 1 1 94 94 THR CA C 13 68.122 0.3 . 1 . . . A 94 THR CA . 18480 1 1062 . 1 1 94 94 THR CB C 13 68.342 0.3 . 1 . . . A 94 THR CB . 18480 1 1063 . 1 1 94 94 THR CG2 C 13 21.927 0.3 . 1 . . . A 94 THR CG2 . 18480 1 1064 . 1 1 94 94 THR N N 15 113.759 0.3 . 1 . . . A 94 THR N . 18480 1 1065 . 1 1 95 95 SER H H 1 8.173 0.020 . 1 . . . A 95 SER H . 18480 1 1066 . 1 1 95 95 SER HA H 1 4.262 0.020 . 1 . . . A 95 SER HA . 18480 1 1067 . 1 1 95 95 SER HB2 H 1 4.028 0.020 . 2 . . . A 95 SER HB2 . 18480 1 1068 . 1 1 95 95 SER HB3 H 1 4.093 0.020 . 2 . . . A 95 SER HB3 . 18480 1 1069 . 1 1 95 95 SER C C 13 177.828 0.3 . 1 . . . A 95 SER C . 18480 1 1070 . 1 1 95 95 SER CA C 13 61.758 0.3 . 1 . . . A 95 SER CA . 18480 1 1071 . 1 1 95 95 SER CB C 13 62.667 0.3 . 1 . . . A 95 SER CB . 18480 1 1072 . 1 1 95 95 SER N N 15 117.547 0.3 . 1 . . . A 95 SER N . 18480 1 1073 . 1 1 96 96 SER H H 1 8.830 0.020 . 1 . . . A 96 SER H . 18480 1 1074 . 1 1 96 96 SER HA H 1 4.035 0.020 . 1 . . . A 96 SER HA . 18480 1 1075 . 1 1 96 96 SER HB2 H 1 3.938 0.020 . 1 . . . A 96 SER HB2 . 18480 1 1076 . 1 1 96 96 SER HB3 H 1 3.938 0.020 . 1 . . . A 96 SER HB3 . 18480 1 1077 . 1 1 96 96 SER CA C 13 62.467 0.3 . 1 . . . A 96 SER CA . 18480 1 1078 . 1 1 96 96 SER CB C 13 61.755 0.3 . 1 . . . A 96 SER CB . 18480 1 1079 . 1 1 96 96 SER N N 15 121.366 0.3 . 1 . . . A 96 SER N . 18480 1 1080 . 1 1 97 97 ILE H H 1 8.380 0.020 . 1 . . . A 97 ILE H . 18480 1 1081 . 1 1 97 97 ILE HA H 1 3.809 0.020 . 1 . . . A 97 ILE HA . 18480 1 1082 . 1 1 97 97 ILE HB H 1 2.147 0.020 . 1 . . . A 97 ILE HB . 18480 1 1083 . 1 1 97 97 ILE HG12 H 1 1.209 0.020 . 2 . . . A 97 ILE HG12 . 18480 1 1084 . 1 1 97 97 ILE HG13 H 1 2.042 0.020 . 2 . . . A 97 ILE HG13 . 18480 1 1085 . 1 1 97 97 ILE HG21 H 1 0.912 0.020 . 1 . . . A 97 ILE HG21 . 18480 1 1086 . 1 1 97 97 ILE HG22 H 1 0.912 0.020 . 1 . . . A 97 ILE HG22 . 18480 1 1087 . 1 1 97 97 ILE HG23 H 1 0.912 0.020 . 1 . . . A 97 ILE HG23 . 18480 1 1088 . 1 1 97 97 ILE HD11 H 1 0.781 0.020 . 1 . . . A 97 ILE HD11 . 18480 1 1089 . 1 1 97 97 ILE HD12 H 1 0.781 0.020 . 1 . . . A 97 ILE HD12 . 18480 1 1090 . 1 1 97 97 ILE HD13 H 1 0.781 0.020 . 1 . . . A 97 ILE HD13 . 18480 1 1091 . 1 1 97 97 ILE C C 13 177.693 0.3 . 1 . . . A 97 ILE C . 18480 1 1092 . 1 1 97 97 ILE CA C 13 66.042 0.3 . 1 . . . A 97 ILE CA . 18480 1 1093 . 1 1 97 97 ILE CB C 13 37.536 0.3 . 1 . . . A 97 ILE CB . 18480 1 1094 . 1 1 97 97 ILE CG1 C 13 30.347 0.3 . 1 . . . A 97 ILE CG1 . 18480 1 1095 . 1 1 97 97 ILE CG2 C 13 17.011 0.3 . 1 . . . A 97 ILE CG2 . 18480 1 1096 . 1 1 97 97 ILE CD1 C 13 13.409 0.3 . 1 . . . A 97 ILE CD1 . 18480 1 1097 . 1 1 97 97 ILE N N 15 121.943 0.3 . 1 . . . A 97 ILE N . 18480 1 1098 . 1 1 98 98 ALA H H 1 8.624 0.020 . 1 . . . A 98 ALA H . 18480 1 1099 . 1 1 98 98 ALA HA H 1 4.040 0.020 . 1 . . . A 98 ALA HA . 18480 1 1100 . 1 1 98 98 ALA HB1 H 1 1.536 0.020 . 1 . . . A 98 ALA HB1 . 18480 1 1101 . 1 1 98 98 ALA HB2 H 1 1.536 0.020 . 1 . . . A 98 ALA HB2 . 18480 1 1102 . 1 1 98 98 ALA HB3 H 1 1.536 0.020 . 1 . . . A 98 ALA HB3 . 18480 1 1103 . 1 1 98 98 ALA C C 13 180.740 0.3 . 1 . . . A 98 ALA C . 18480 1 1104 . 1 1 98 98 ALA CA C 13 56.388 0.3 . 1 . . . A 98 ALA CA . 18480 1 1105 . 1 1 98 98 ALA CB C 13 18.154 0.3 . 1 . . . A 98 ALA CB . 18480 1 1106 . 1 1 98 98 ALA N N 15 122.507 0.3 . 1 . . . A 98 ALA N . 18480 1 1107 . 1 1 99 99 SER H H 1 8.667 0.020 . 1 . . . A 99 SER H . 18480 1 1108 . 1 1 99 99 SER HA H 1 4.325 0.020 . 1 . . . A 99 SER HA . 18480 1 1109 . 1 1 99 99 SER HB2 H 1 4.030 0.020 . 2 . . . A 99 SER HB2 . 18480 1 1110 . 1 1 99 99 SER HB3 H 1 4.146 0.020 . 2 . . . A 99 SER HB3 . 18480 1 1111 . 1 1 99 99 SER C C 13 177.168 0.3 . 1 . . . A 99 SER C . 18480 1 1112 . 1 1 99 99 SER CA C 13 61.867 0.3 . 1 . . . A 99 SER CA . 18480 1 1113 . 1 1 99 99 SER CB C 13 63.200 0.3 . 1 . . . A 99 SER CB . 18480 1 1114 . 1 1 99 99 SER N N 15 115.850 0.3 . 1 . . . A 99 SER N . 18480 1 1115 . 1 1 100 100 ALA H H 1 8.744 0.020 . 1 . . . A 100 ALA H . 18480 1 1116 . 1 1 100 100 ALA HA H 1 4.142 0.020 . 1 . . . A 100 ALA HA . 18480 1 1117 . 1 1 100 100 ALA HB1 H 1 1.290 0.020 . 1 . . . A 100 ALA HB1 . 18480 1 1118 . 1 1 100 100 ALA HB2 H 1 1.290 0.020 . 1 . . . A 100 ALA HB2 . 18480 1 1119 . 1 1 100 100 ALA HB3 H 1 1.290 0.020 . 1 . . . A 100 ALA HB3 . 18480 1 1120 . 1 1 100 100 ALA CA C 13 55.388 0.3 . 1 . . . A 100 ALA CA . 18480 1 1121 . 1 1 100 100 ALA CB C 13 18.627 0.3 . 1 . . . A 100 ALA CB . 18480 1 1122 . 1 1 100 100 ALA N N 15 124.410 0.3 . 1 . . . A 100 ALA N . 18480 1 1123 . 1 1 101 101 MET H H 1 9.152 0.020 . 1 . . . A 101 MET H . 18480 1 1124 . 1 1 101 101 MET HA H 1 4.368 0.020 . 1 . . . A 101 MET HA . 18480 1 1125 . 1 1 101 101 MET HB2 H 1 2.247 0.020 . 2 . . . A 101 MET HB2 . 18480 1 1126 . 1 1 101 101 MET HB3 H 1 2.723 0.020 . 2 . . . A 101 MET HB3 . 18480 1 1127 . 1 1 101 101 MET HG2 H 1 2.842 0.020 . 1 . . . A 101 MET HG2 . 18480 1 1128 . 1 1 101 101 MET HG3 H 1 2.842 0.020 . 1 . . . A 101 MET HG3 . 18480 1 1129 . 1 1 101 101 MET HE1 H 1 1.589 0.020 . 1 . . . A 101 MET HE1 . 18480 1 1130 . 1 1 101 101 MET HE2 H 1 1.589 0.020 . 1 . . . A 101 MET HE2 . 18480 1 1131 . 1 1 101 101 MET HE3 H 1 1.589 0.020 . 1 . . . A 101 MET HE3 . 18480 1 1132 . 1 1 101 101 MET CA C 13 59.163 0.3 . 1 . . . A 101 MET CA . 18480 1 1133 . 1 1 101 101 MET CB C 13 33.233 0.3 . 1 . . . A 101 MET CB . 18480 1 1134 . 1 1 101 101 MET CG C 13 34.447 0.3 . 1 . . . A 101 MET CG . 18480 1 1135 . 1 1 101 101 MET CE C 13 17.112 0.3 . 1 . . . A 101 MET CE . 18480 1 1136 . 1 1 101 101 MET N N 15 119.346 0.3 . 1 . . . A 101 MET N . 18480 1 1137 . 1 1 102 102 SER H H 1 8.766 0.020 . 1 . . . A 102 SER H . 18480 1 1138 . 1 1 102 102 SER HA H 1 4.382 0.020 . 1 . . . A 102 SER HA . 18480 1 1139 . 1 1 102 102 SER HB2 H 1 4.106 0.020 . 2 . . . A 102 SER HB2 . 18480 1 1140 . 1 1 102 102 SER HB3 H 1 4.270 0.020 . 2 . . . A 102 SER HB3 . 18480 1 1141 . 1 1 102 102 SER CA C 13 63.424 0.3 . 1 . . . A 102 SER CA . 18480 1 1142 . 1 1 102 102 SER CB C 13 62.639 0.3 . 1 . . . A 102 SER CB . 18480 1 1143 . 1 1 102 102 SER N N 15 117.124 0.3 . 1 . . . A 102 SER N . 18480 1 1144 . 1 1 103 103 ASN H H 1 8.298 0.020 . 1 . . . A 103 ASN H . 18480 1 1145 . 1 1 103 103 ASN HA H 1 4.466 0.020 . 1 . . . A 103 ASN HA . 18480 1 1146 . 1 1 103 103 ASN HB2 H 1 2.794 0.020 . 1 . . . A 103 ASN HB2 . 18480 1 1147 . 1 1 103 103 ASN HB3 H 1 2.794 0.020 . 1 . . . A 103 ASN HB3 . 18480 1 1148 . 1 1 103 103 ASN HD21 H 1 6.908 0.020 . 1 . . . A 103 ASN HD21 . 18480 1 1149 . 1 1 103 103 ASN HD22 H 1 7.731 0.020 . 1 . . . A 103 ASN HD22 . 18480 1 1150 . 1 1 103 103 ASN CA C 13 56.639 0.3 . 1 . . . A 103 ASN CA . 18480 1 1151 . 1 1 103 103 ASN CB C 13 38.307 0.3 . 1 . . . A 103 ASN CB . 18480 1 1152 . 1 1 103 103 ASN N N 15 118.601 0.3 . 1 . . . A 103 ASN N . 18480 1 1153 . 1 1 103 103 ASN ND2 N 15 113.765 0.3 . 1 . . . A 103 ASN ND2 . 18480 1 1154 . 1 1 104 104 ALA H H 1 7.969 0.020 . 1 . . . A 104 ALA H . 18480 1 1155 . 1 1 104 104 ALA HA H 1 4.239 0.020 . 1 . . . A 104 ALA HA . 18480 1 1156 . 1 1 104 104 ALA HB1 H 1 1.126 0.020 . 1 . . . A 104 ALA HB1 . 18480 1 1157 . 1 1 104 104 ALA HB2 H 1 1.126 0.020 . 1 . . . A 104 ALA HB2 . 18480 1 1158 . 1 1 104 104 ALA HB3 H 1 1.126 0.020 . 1 . . . A 104 ALA HB3 . 18480 1 1159 . 1 1 104 104 ALA C C 13 181.701 0.3 . 1 . . . A 104 ALA C . 18480 1 1160 . 1 1 104 104 ALA CA C 13 55.272 0.3 . 1 . . . A 104 ALA CA . 18480 1 1161 . 1 1 104 104 ALA CB C 13 18.174 0.3 . 1 . . . A 104 ALA CB . 18480 1 1162 . 1 1 104 104 ALA N N 15 122.821 0.3 . 1 . . . A 104 ALA N . 18480 1 1163 . 1 1 105 105 PHE H H 1 8.647 0.020 . 1 . . . A 105 PHE H . 18480 1 1164 . 1 1 105 105 PHE HA H 1 4.208 0.020 . 1 . . . A 105 PHE HA . 18480 1 1165 . 1 1 105 105 PHE HB2 H 1 3.415 0.020 . 2 . . . A 105 PHE HB2 . 18480 1 1166 . 1 1 105 105 PHE HB3 H 1 3.647 0.020 . 2 . . . A 105 PHE HB3 . 18480 1 1167 . 1 1 105 105 PHE HD1 H 1 7.574 0.020 . 1 . . . A 105 PHE HD1 . 18480 1 1168 . 1 1 105 105 PHE HD2 H 1 7.574 0.020 . 1 . . . A 105 PHE HD2 . 18480 1 1169 . 1 1 105 105 PHE HE1 H 1 7.170 0.020 . 1 . . . A 105 PHE HE1 . 18480 1 1170 . 1 1 105 105 PHE HE2 H 1 7.170 0.020 . 1 . . . A 105 PHE HE2 . 18480 1 1171 . 1 1 105 105 PHE HZ H 1 6.768 0.020 . 1 . . . A 105 PHE HZ . 18480 1 1172 . 1 1 105 105 PHE C C 13 179.224 0.3 . 1 . . . A 105 PHE C . 18480 1 1173 . 1 1 105 105 PHE CA C 13 64.122 0.3 . 1 . . . A 105 PHE CA . 18480 1 1174 . 1 1 105 105 PHE CB C 13 39.567 0.3 . 1 . . . A 105 PHE CB . 18480 1 1175 . 1 1 105 105 PHE CD1 C 13 132.825 0.3 . 1 . . . A 105 PHE CD1 . 18480 1 1176 . 1 1 105 105 PHE CD2 C 13 133.005 0.3 . 1 . . . A 105 PHE CD2 . 18480 1 1177 . 1 1 105 105 PHE CE1 C 13 131.996 0.3 . 1 . . . A 105 PHE CE1 . 18480 1 1178 . 1 1 105 105 PHE CE2 C 13 131.996 0.3 . 1 . . . A 105 PHE CE2 . 18480 1 1179 . 1 1 105 105 PHE CZ C 13 130.503 0.3 . 1 . . . A 105 PHE CZ . 18480 1 1180 . 1 1 105 105 PHE N N 15 119.585 0.3 . 1 . . . A 105 PHE N . 18480 1 1181 . 1 1 106 106 LEU H H 1 8.450 0.020 . 1 . . . A 106 LEU H . 18480 1 1182 . 1 1 106 106 LEU HA H 1 3.699 0.020 . 1 . . . A 106 LEU HA . 18480 1 1183 . 1 1 106 106 LEU HB2 H 1 1.581 0.020 . 2 . . . A 106 LEU HB2 . 18480 1 1184 . 1 1 106 106 LEU HB3 H 1 1.942 0.020 . 2 . . . A 106 LEU HB3 . 18480 1 1185 . 1 1 106 106 LEU HG H 1 1.685 0.020 . 1 . . . A 106 LEU HG . 18480 1 1186 . 1 1 106 106 LEU HD11 H 1 0.769 0.020 . 2 . . . A 106 LEU HD11 . 18480 1 1187 . 1 1 106 106 LEU HD12 H 1 0.769 0.020 . 2 . . . A 106 LEU HD12 . 18480 1 1188 . 1 1 106 106 LEU HD13 H 1 0.769 0.020 . 2 . . . A 106 LEU HD13 . 18480 1 1189 . 1 1 106 106 LEU HD21 H 1 0.852 0.020 . 2 . . . A 106 LEU HD21 . 18480 1 1190 . 1 1 106 106 LEU HD22 H 1 0.852 0.020 . 2 . . . A 106 LEU HD22 . 18480 1 1191 . 1 1 106 106 LEU HD23 H 1 0.852 0.020 . 2 . . . A 106 LEU HD23 . 18480 1 1192 . 1 1 106 106 LEU C C 13 179.074 0.3 . 1 . . . A 106 LEU C . 18480 1 1193 . 1 1 106 106 LEU CA C 13 59.055 0.3 . 1 . . . A 106 LEU CA . 18480 1 1194 . 1 1 106 106 LEU CB C 13 41.462 0.3 . 1 . . . A 106 LEU CB . 18480 1 1195 . 1 1 106 106 LEU CG C 13 26.751 0.3 . 1 . . . A 106 LEU CG . 18480 1 1196 . 1 1 106 106 LEU CD1 C 13 23.235 0.3 . 1 . . . A 106 LEU CD1 . 18480 1 1197 . 1 1 106 106 LEU CD2 C 13 24.833 0.3 . 1 . . . A 106 LEU CD2 . 18480 1 1198 . 1 1 106 106 LEU N N 15 121.925 0.3 . 1 . . . A 106 LEU N . 18480 1 1199 . 1 1 107 107 GLN H H 1 8.444 0.020 . 1 . . . A 107 GLN H . 18480 1 1200 . 1 1 107 107 GLN HA H 1 4.102 0.020 . 1 . . . A 107 GLN HA . 18480 1 1201 . 1 1 107 107 GLN HB2 H 1 1.984 0.020 . 2 . . . A 107 GLN HB2 . 18480 1 1202 . 1 1 107 107 GLN HB3 H 1 2.195 0.020 . 2 . . . A 107 GLN HB3 . 18480 1 1203 . 1 1 107 107 GLN HG2 H 1 2.454 0.020 . 1 . . . A 107 GLN HG2 . 18480 1 1204 . 1 1 107 107 GLN HG3 H 1 2.454 0.020 . 1 . . . A 107 GLN HG3 . 18480 1 1205 . 1 1 107 107 GLN HE21 H 1 6.828 0.020 . 1 . . . A 107 GLN HE21 . 18480 1 1206 . 1 1 107 107 GLN HE22 H 1 7.314 0.020 . 1 . . . A 107 GLN HE22 . 18480 1 1207 . 1 1 107 107 GLN C C 13 176.822 0.3 . 1 . . . A 107 GLN C . 18480 1 1208 . 1 1 107 107 GLN CA C 13 57.586 0.3 . 1 . . . A 107 GLN CA . 18480 1 1209 . 1 1 107 107 GLN CB C 13 29.279 0.3 . 1 . . . A 107 GLN CB . 18480 1 1210 . 1 1 107 107 GLN CG C 13 33.899 0.3 . 1 . . . A 107 GLN CG . 18480 1 1211 . 1 1 107 107 GLN N N 15 115.214 0.3 . 1 . . . A 107 GLN N . 18480 1 1212 . 1 1 107 107 GLN NE2 N 15 111.880 0.3 . 1 . . . A 107 GLN NE2 . 18480 1 1213 . 1 1 108 108 THR H H 1 7.631 0.020 . 1 . . . A 108 THR H . 18480 1 1214 . 1 1 108 108 THR HA H 1 4.369 0.020 . 1 . . . A 108 THR HA . 18480 1 1215 . 1 1 108 108 THR HB H 1 4.072 0.020 . 1 . . . A 108 THR HB . 18480 1 1216 . 1 1 108 108 THR HG21 H 1 1.306 0.020 . 1 . . . A 108 THR HG21 . 18480 1 1217 . 1 1 108 108 THR HG22 H 1 1.306 0.020 . 1 . . . A 108 THR HG22 . 18480 1 1218 . 1 1 108 108 THR HG23 H 1 1.306 0.020 . 1 . . . A 108 THR HG23 . 18480 1 1219 . 1 1 108 108 THR C C 13 175.952 0.3 . 1 . . . A 108 THR C . 18480 1 1220 . 1 1 108 108 THR CA C 13 63.658 0.3 . 1 . . . A 108 THR CA . 18480 1 1221 . 1 1 108 108 THR CB C 13 70.179 0.3 . 1 . . . A 108 THR CB . 18480 1 1222 . 1 1 108 108 THR CG2 C 13 22.481 0.3 . 1 . . . A 108 THR CG2 . 18480 1 1223 . 1 1 108 108 THR N N 15 109.014 0.3 . 1 . . . A 108 THR N . 18480 1 1224 . 1 1 109 109 THR H H 1 8.623 0.020 . 1 . . . A 109 THR H . 18480 1 1225 . 1 1 109 109 THR HA H 1 4.477 0.020 . 1 . . . A 109 THR HA . 18480 1 1226 . 1 1 109 109 THR HB H 1 4.274 0.020 . 1 . . . A 109 THR HB . 18480 1 1227 . 1 1 109 109 THR HG21 H 1 0.882 0.020 . 1 . . . A 109 THR HG21 . 18480 1 1228 . 1 1 109 109 THR HG22 H 1 0.882 0.020 . 1 . . . A 109 THR HG22 . 18480 1 1229 . 1 1 109 109 THR HG23 H 1 0.882 0.020 . 1 . . . A 109 THR HG23 . 18480 1 1230 . 1 1 109 109 THR C C 13 176.162 0.3 . 1 . . . A 109 THR C . 18480 1 1231 . 1 1 109 109 THR CA C 13 61.728 0.3 . 1 . . . A 109 THR CA . 18480 1 1232 . 1 1 109 109 THR CB C 13 70.659 0.3 . 1 . . . A 109 THR CB . 18480 1 1233 . 1 1 109 109 THR CG2 C 13 21.993 0.3 . 1 . . . A 109 THR CG2 . 18480 1 1234 . 1 1 109 109 THR N N 15 110.844 0.3 . 1 . . . A 109 THR N . 18480 1 1235 . 1 1 110 110 GLY H H 1 8.113 0.020 . 1 . . . A 110 GLY H . 18480 1 1236 . 1 1 110 110 GLY HA2 H 1 3.928 0.020 . 2 . . . A 110 GLY HA2 . 18480 1 1237 . 1 1 110 110 GLY HA3 H 1 4.380 0.020 . 2 . . . A 110 GLY HA3 . 18480 1 1238 . 1 1 110 110 GLY C C 13 172.889 0.3 . 1 . . . A 110 GLY C . 18480 1 1239 . 1 1 110 110 GLY CA C 13 45.543 0.3 . 1 . . . A 110 GLY CA . 18480 1 1240 . 1 1 110 110 GLY N N 15 109.549 0.3 . 1 . . . A 110 GLY N . 18480 1 1241 . 1 1 111 111 VAL H H 1 7.724 0.020 . 1 . . . A 111 VAL H . 18480 1 1242 . 1 1 111 111 VAL HA H 1 4.256 0.020 . 1 . . . A 111 VAL HA . 18480 1 1243 . 1 1 111 111 VAL HB H 1 1.768 0.020 . 1 . . . A 111 VAL HB . 18480 1 1244 . 1 1 111 111 VAL HG11 H 1 0.686 0.020 . 2 . . . A 111 VAL HG11 . 18480 1 1245 . 1 1 111 111 VAL HG12 H 1 0.686 0.020 . 2 . . . A 111 VAL HG12 . 18480 1 1246 . 1 1 111 111 VAL HG13 H 1 0.686 0.020 . 2 . . . A 111 VAL HG13 . 18480 1 1247 . 1 1 111 111 VAL HG21 H 1 0.719 0.020 . 2 . . . A 111 VAL HG21 . 18480 1 1248 . 1 1 111 111 VAL HG22 H 1 0.719 0.020 . 2 . . . A 111 VAL HG22 . 18480 1 1249 . 1 1 111 111 VAL HG23 H 1 0.719 0.020 . 2 . . . A 111 VAL HG23 . 18480 1 1250 . 1 1 111 111 VAL C C 13 174.421 0.3 . 1 . . . A 111 VAL C . 18480 1 1251 . 1 1 111 111 VAL CA C 13 60.761 0.3 . 1 . . . A 111 VAL CA . 18480 1 1252 . 1 1 111 111 VAL CB C 13 35.510 0.3 . 1 . . . A 111 VAL CB . 18480 1 1253 . 1 1 111 111 VAL CG1 C 13 20.870 0.3 . 1 . . . A 111 VAL CG1 . 18480 1 1254 . 1 1 111 111 VAL CG2 C 13 20.533 0.3 . 1 . . . A 111 VAL CG2 . 18480 1 1255 . 1 1 111 111 VAL N N 15 118.903 0.3 . 1 . . . A 111 VAL N . 18480 1 1256 . 1 1 112 112 VAL H H 1 8.627 0.020 . 1 . . . A 112 VAL H . 18480 1 1257 . 1 1 112 112 VAL HA H 1 3.233 0.020 . 1 . . . A 112 VAL HA . 18480 1 1258 . 1 1 112 112 VAL HB H 1 1.914 0.020 . 1 . . . A 112 VAL HB . 18480 1 1259 . 1 1 112 112 VAL HG11 H 1 0.777 0.020 . 2 . . . A 112 VAL HG11 . 18480 1 1260 . 1 1 112 112 VAL HG12 H 1 0.777 0.020 . 2 . . . A 112 VAL HG12 . 18480 1 1261 . 1 1 112 112 VAL HG13 H 1 0.777 0.020 . 2 . . . A 112 VAL HG13 . 18480 1 1262 . 1 1 112 112 VAL HG21 H 1 1.089 0.020 . 2 . . . A 112 VAL HG21 . 18480 1 1263 . 1 1 112 112 VAL HG22 H 1 1.089 0.020 . 2 . . . A 112 VAL HG22 . 18480 1 1264 . 1 1 112 112 VAL HG23 H 1 1.089 0.020 . 2 . . . A 112 VAL HG23 . 18480 1 1265 . 1 1 112 112 VAL C C 13 174.646 0.3 . 1 . . . A 112 VAL C . 18480 1 1266 . 1 1 112 112 VAL CA C 13 63.735 0.3 . 1 . . . A 112 VAL CA . 18480 1 1267 . 1 1 112 112 VAL CB C 13 32.806 0.3 . 1 . . . A 112 VAL CB . 18480 1 1268 . 1 1 112 112 VAL CG1 C 13 22.091 0.3 . 1 . . . A 112 VAL CG1 . 18480 1 1269 . 1 1 112 112 VAL CG2 C 13 22.163 0.3 . 1 . . . A 112 VAL CG2 . 18480 1 1270 . 1 1 112 112 VAL N N 15 124.398 0.3 . 1 . . . A 112 VAL N . 18480 1 1271 . 1 1 113 113 ASN HA H 1 4.569 0.020 . 1 . . . A 113 ASN HA . 18480 1 1272 . 1 1 113 113 ASN HB2 H 1 2.012 0.020 . 2 . . . A 113 ASN HB2 . 18480 1 1273 . 1 1 113 113 ASN HB3 H 1 2.211 0.020 . 2 . . . A 113 ASN HB3 . 18480 1 1274 . 1 1 113 113 ASN HD21 H 1 7.177 0.020 . 1 . . . A 113 ASN HD21 . 18480 1 1275 . 1 1 113 113 ASN HD22 H 1 7.424 0.020 . 1 . . . A 113 ASN HD22 . 18480 1 1276 . 1 1 113 113 ASN CA C 13 51.207 0.3 . 1 . . . A 113 ASN CA . 18480 1 1277 . 1 1 113 113 ASN CB C 13 38.381 0.3 . 1 . . . A 113 ASN CB . 18480 1 1278 . 1 1 113 113 ASN ND2 N 15 111.195 0.3 . 1 . . . A 113 ASN ND2 . 18480 1 1279 . 1 1 114 114 GLN H H 1 8.731 0.020 . 1 . . . A 114 GLN H . 18480 1 1280 . 1 1 114 114 GLN HA H 1 3.940 0.020 . 1 . . . A 114 GLN HA . 18480 1 1281 . 1 1 114 114 GLN HB2 H 1 2.055 0.020 . 2 . . . A 114 GLN HB2 . 18480 1 1282 . 1 1 114 114 GLN HB3 H 1 2.145 0.020 . 2 . . . A 114 GLN HB3 . 18480 1 1283 . 1 1 114 114 GLN HG2 H 1 2.340 0.020 . 2 . . . A 114 GLN HG2 . 18480 1 1284 . 1 1 114 114 GLN HG3 H 1 2.392 0.020 . 2 . . . A 114 GLN HG3 . 18480 1 1285 . 1 1 114 114 GLN HE21 H 1 6.764 0.020 . 1 . . . A 114 GLN HE21 . 18480 1 1286 . 1 1 114 114 GLN HE22 H 1 7.382 0.020 . 1 . . . A 114 GLN HE22 . 18480 1 1287 . 1 1 114 114 GLN C C 13 174.811 0.3 . 1 . . . A 114 GLN C . 18480 1 1288 . 1 1 114 114 GLN CA C 13 59.636 0.3 . 1 . . . A 114 GLN CA . 18480 1 1289 . 1 1 114 114 GLN CB C 13 26.092 0.3 . 1 . . . A 114 GLN CB . 18480 1 1290 . 1 1 114 114 GLN CG C 13 33.527 0.3 . 1 . . . A 114 GLN CG . 18480 1 1291 . 1 1 114 114 GLN N N 15 125.364 0.3 . 1 . . . A 114 GLN N . 18480 1 1292 . 1 1 114 114 GLN NE2 N 15 111.592 0.3 . 1 . . . A 114 GLN NE2 . 18480 1 1293 . 1 1 115 115 PRO HA H 1 4.268 0.020 . 1 . . . A 115 PRO HA . 18480 1 1294 . 1 1 115 115 PRO HB2 H 1 1.878 0.020 . 2 . . . A 115 PRO HB2 . 18480 1 1295 . 1 1 115 115 PRO HB3 H 1 2.397 0.020 . 2 . . . A 115 PRO HB3 . 18480 1 1296 . 1 1 115 115 PRO HG2 H 1 1.959 0.020 . 2 . . . A 115 PRO HG2 . 18480 1 1297 . 1 1 115 115 PRO HG3 H 1 2.164 0.020 . 2 . . . A 115 PRO HG3 . 18480 1 1298 . 1 1 115 115 PRO HD2 H 1 3.709 0.020 . 2 . . . A 115 PRO HD2 . 18480 1 1299 . 1 1 115 115 PRO HD3 H 1 3.890 0.020 . 2 . . . A 115 PRO HD3 . 18480 1 1300 . 1 1 115 115 PRO CA C 13 66.661 0.3 . 1 . . . A 115 PRO CA . 18480 1 1301 . 1 1 115 115 PRO CB C 13 31.197 0.3 . 1 . . . A 115 PRO CB . 18480 1 1302 . 1 1 115 115 PRO CG C 13 28.805 0.3 . 1 . . . A 115 PRO CG . 18480 1 1303 . 1 1 115 115 PRO CD C 13 50.576 0.3 . 1 . . . A 115 PRO CD . 18480 1 1304 . 1 1 116 116 PHE H H 1 7.712 0.020 . 1 . . . A 116 PHE H . 18480 1 1305 . 1 1 116 116 PHE HA H 1 4.261 0.020 . 1 . . . A 116 PHE HA . 18480 1 1306 . 1 1 116 116 PHE HB2 H 1 3.158 0.020 . 1 . . . A 116 PHE HB2 . 18480 1 1307 . 1 1 116 116 PHE HB3 H 1 3.158 0.020 . 1 . . . A 116 PHE HB3 . 18480 1 1308 . 1 1 116 116 PHE HD1 H 1 7.355 0.020 . 1 . . . A 116 PHE HD1 . 18480 1 1309 . 1 1 116 116 PHE HD2 H 1 7.355 0.020 . 1 . . . A 116 PHE HD2 . 18480 1 1310 . 1 1 116 116 PHE HE1 H 1 7.354 0.020 . 1 . . . A 116 PHE HE1 . 18480 1 1311 . 1 1 116 116 PHE HE2 H 1 7.354 0.020 . 1 . . . A 116 PHE HE2 . 18480 1 1312 . 1 1 116 116 PHE HZ H 1 7.154 0.020 . 1 . . . A 116 PHE HZ . 18480 1 1313 . 1 1 116 116 PHE C C 13 176.597 0.3 . 1 . . . A 116 PHE C . 18480 1 1314 . 1 1 116 116 PHE CA C 13 61.290 0.3 . 1 . . . A 116 PHE CA . 18480 1 1315 . 1 1 116 116 PHE CB C 13 39.580 0.3 . 1 . . . A 116 PHE CB . 18480 1 1316 . 1 1 116 116 PHE CD1 C 13 132.155 0.3 . 1 . . . A 116 PHE CD1 . 18480 1 1317 . 1 1 116 116 PHE CD2 C 13 131.975 0.3 . 1 . . . A 116 PHE CD2 . 18480 1 1318 . 1 1 116 116 PHE CE1 C 13 131.384 0.3 . 1 . . . A 116 PHE CE1 . 18480 1 1319 . 1 1 116 116 PHE CE2 C 13 131.384 0.3 . 1 . . . A 116 PHE CE2 . 18480 1 1320 . 1 1 116 116 PHE CZ C 13 128.290 0.3 . 1 . . . A 116 PHE CZ . 18480 1 1321 . 1 1 116 116 PHE N N 15 118.102 0.3 . 1 . . . A 116 PHE N . 18480 1 1322 . 1 1 117 117 ILE H H 1 7.747 0.020 . 1 . . . A 117 ILE H . 18480 1 1323 . 1 1 117 117 ILE HA H 1 3.654 0.020 . 1 . . . A 117 ILE HA . 18480 1 1324 . 1 1 117 117 ILE HB H 1 2.191 0.020 . 1 . . . A 117 ILE HB . 18480 1 1325 . 1 1 117 117 ILE HG12 H 1 1.538 0.020 . 2 . . . A 117 ILE HG12 . 18480 1 1326 . 1 1 117 117 ILE HG13 H 1 1.913 0.020 . 2 . . . A 117 ILE HG13 . 18480 1 1327 . 1 1 117 117 ILE HG21 H 1 1.024 0.020 . 1 . . . A 117 ILE HG21 . 18480 1 1328 . 1 1 117 117 ILE HG22 H 1 1.024 0.020 . 1 . . . A 117 ILE HG22 . 18480 1 1329 . 1 1 117 117 ILE HG23 H 1 1.024 0.020 . 1 . . . A 117 ILE HG23 . 18480 1 1330 . 1 1 117 117 ILE HD11 H 1 1.047 0.020 . 1 . . . A 117 ILE HD11 . 18480 1 1331 . 1 1 117 117 ILE HD12 H 1 1.047 0.020 . 1 . . . A 117 ILE HD12 . 18480 1 1332 . 1 1 117 117 ILE HD13 H 1 1.047 0.020 . 1 . . . A 117 ILE HD13 . 18480 1 1333 . 1 1 117 117 ILE C C 13 178.789 0.3 . 1 . . . A 117 ILE C . 18480 1 1334 . 1 1 117 117 ILE CA C 13 64.640 0.3 . 1 . . . A 117 ILE CA . 18480 1 1335 . 1 1 117 117 ILE CB C 13 36.514 0.3 . 1 . . . A 117 ILE CB . 18480 1 1336 . 1 1 117 117 ILE CG1 C 13 28.757 0.3 . 1 . . . A 117 ILE CG1 . 18480 1 1337 . 1 1 117 117 ILE CG2 C 13 17.712 0.3 . 1 . . . A 117 ILE CG2 . 18480 1 1338 . 1 1 117 117 ILE CD1 C 13 12.815 0.3 . 1 . . . A 117 ILE CD1 . 18480 1 1339 . 1 1 117 117 ILE N N 15 118.950 0.3 . 1 . . . A 117 ILE N . 18480 1 1340 . 1 1 118 118 ASN H H 1 8.847 0.020 . 1 . . . A 118 ASN H . 18480 1 1341 . 1 1 118 118 ASN HA H 1 4.367 0.020 . 1 . . . A 118 ASN HA . 18480 1 1342 . 1 1 118 118 ASN HB2 H 1 2.834 0.020 . 2 . . . A 118 ASN HB2 . 18480 1 1343 . 1 1 118 118 ASN HB3 H 1 2.942 0.020 . 2 . . . A 118 ASN HB3 . 18480 1 1344 . 1 1 118 118 ASN HD21 H 1 7.005 0.020 . 1 . . . A 118 ASN HD21 . 18480 1 1345 . 1 1 118 118 ASN HD22 H 1 7.718 0.020 . 1 . . . A 118 ASN HD22 . 18480 1 1346 . 1 1 118 118 ASN C C 13 177.033 0.3 . 1 . . . A 118 ASN C . 18480 1 1347 . 1 1 118 118 ASN CA C 13 55.781 0.3 . 1 . . . A 118 ASN CA . 18480 1 1348 . 1 1 118 118 ASN CB C 13 37.485 0.3 . 1 . . . A 118 ASN CB . 18480 1 1349 . 1 1 118 118 ASN N N 15 119.204 0.3 . 1 . . . A 118 ASN N . 18480 1 1350 . 1 1 118 118 ASN ND2 N 15 111.499 0.3 . 1 . . . A 118 ASN ND2 . 18480 1 1351 . 1 1 119 119 GLU H H 1 8.081 0.020 . 1 . . . A 119 GLU H . 18480 1 1352 . 1 1 119 119 GLU HA H 1 3.965 0.020 . 1 . . . A 119 GLU HA . 18480 1 1353 . 1 1 119 119 GLU HB2 H 1 1.955 0.020 . 2 . . . A 119 GLU HB2 . 18480 1 1354 . 1 1 119 119 GLU HB3 H 1 2.205 0.020 . 2 . . . A 119 GLU HB3 . 18480 1 1355 . 1 1 119 119 GLU HG2 H 1 2.176 0.020 . 2 . . . A 119 GLU HG2 . 18480 1 1356 . 1 1 119 119 GLU HG3 H 1 2.441 0.020 . 2 . . . A 119 GLU HG3 . 18480 1 1357 . 1 1 119 119 GLU C C 13 178.564 0.3 . 1 . . . A 119 GLU C . 18480 1 1358 . 1 1 119 119 GLU CA C 13 59.114 0.3 . 1 . . . A 119 GLU CA . 18480 1 1359 . 1 1 119 119 GLU CB C 13 28.518 0.3 . 1 . . . A 119 GLU CB . 18480 1 1360 . 1 1 119 119 GLU CG C 13 33.423 0.3 . 1 . . . A 119 GLU CG . 18480 1 1361 . 1 1 119 119 GLU N N 15 120.684 0.3 . 1 . . . A 119 GLU N . 18480 1 1362 . 1 1 120 120 ILE H H 1 7.948 0.020 . 1 . . . A 120 ILE H . 18480 1 1363 . 1 1 120 120 ILE HA H 1 3.572 0.020 . 1 . . . A 120 ILE HA . 18480 1 1364 . 1 1 120 120 ILE HB H 1 2.047 0.020 . 1 . . . A 120 ILE HB . 18480 1 1365 . 1 1 120 120 ILE HG12 H 1 1.011 0.020 . 2 . . . A 120 ILE HG12 . 18480 1 1366 . 1 1 120 120 ILE HG13 H 1 1.396 0.020 . 2 . . . A 120 ILE HG13 . 18480 1 1367 . 1 1 120 120 ILE HG21 H 1 0.774 0.020 . 1 . . . A 120 ILE HG21 . 18480 1 1368 . 1 1 120 120 ILE HG22 H 1 0.774 0.020 . 1 . . . A 120 ILE HG22 . 18480 1 1369 . 1 1 120 120 ILE HG23 H 1 0.774 0.020 . 1 . . . A 120 ILE HG23 . 18480 1 1370 . 1 1 120 120 ILE HD11 H 1 0.372 0.020 . 1 . . . A 120 ILE HD11 . 18480 1 1371 . 1 1 120 120 ILE HD12 H 1 0.372 0.020 . 1 . . . A 120 ILE HD12 . 18480 1 1372 . 1 1 120 120 ILE HD13 H 1 0.372 0.020 . 1 . . . A 120 ILE HD13 . 18480 1 1373 . 1 1 120 120 ILE C C 13 178.279 0.3 . 1 . . . A 120 ILE C . 18480 1 1374 . 1 1 120 120 ILE CA C 13 63.098 0.3 . 1 . . . A 120 ILE CA . 18480 1 1375 . 1 1 120 120 ILE CB C 13 35.252 0.3 . 1 . . . A 120 ILE CB . 18480 1 1376 . 1 1 120 120 ILE CG1 C 13 28.293 0.3 . 1 . . . A 120 ILE CG1 . 18480 1 1377 . 1 1 120 120 ILE CG2 C 13 18.183 0.3 . 1 . . . A 120 ILE CG2 . 18480 1 1378 . 1 1 120 120 ILE CD1 C 13 11.249 0.3 . 1 . . . A 120 ILE CD1 . 18480 1 1379 . 1 1 120 120 ILE N N 15 118.037 0.3 . 1 . . . A 120 ILE N . 18480 1 1380 . 1 1 121 121 THR H H 1 8.345 0.020 . 1 . . . A 121 THR H . 18480 1 1381 . 1 1 121 121 THR HA H 1 3.804 0.020 . 1 . . . A 121 THR HA . 18480 1 1382 . 1 1 121 121 THR HB H 1 4.249 0.020 . 1 . . . A 121 THR HB . 18480 1 1383 . 1 1 121 121 THR HG21 H 1 1.224 0.020 . 1 . . . A 121 THR HG21 . 18480 1 1384 . 1 1 121 121 THR HG22 H 1 1.224 0.020 . 1 . . . A 121 THR HG22 . 18480 1 1385 . 1 1 121 121 THR HG23 H 1 1.224 0.020 . 1 . . . A 121 THR HG23 . 18480 1 1386 . 1 1 121 121 THR C C 13 177.258 0.3 . 1 . . . A 121 THR C . 18480 1 1387 . 1 1 121 121 THR CA C 13 66.771 0.3 . 1 . . . A 121 THR CA . 18480 1 1388 . 1 1 121 121 THR CB C 13 68.293 0.3 . 1 . . . A 121 THR CB . 18480 1 1389 . 1 1 121 121 THR CG2 C 13 21.888 0.3 . 1 . . . A 121 THR CG2 . 18480 1 1390 . 1 1 121 121 THR N N 15 113.671 0.3 . 1 . . . A 121 THR N . 18480 1 1391 . 1 1 122 122 GLN H H 1 7.589 0.020 . 1 . . . A 122 GLN H . 18480 1 1392 . 1 1 122 122 GLN HA H 1 3.999 0.020 . 1 . . . A 122 GLN HA . 18480 1 1393 . 1 1 122 122 GLN HB2 H 1 1.978 0.020 . 2 . . . A 122 GLN HB2 . 18480 1 1394 . 1 1 122 122 GLN HB3 H 1 2.185 0.020 . 2 . . . A 122 GLN HB3 . 18480 1 1395 . 1 1 122 122 GLN HG2 H 1 2.303 0.020 . 2 . . . A 122 GLN HG2 . 18480 1 1396 . 1 1 122 122 GLN HG3 H 1 2.402 0.020 . 2 . . . A 122 GLN HG3 . 18480 1 1397 . 1 1 122 122 GLN HE21 H 1 6.782 0.020 . 1 . . . A 122 GLN HE21 . 18480 1 1398 . 1 1 122 122 GLN HE22 H 1 7.083 0.020 . 1 . . . A 122 GLN HE22 . 18480 1 1399 . 1 1 122 122 GLN C C 13 179.014 0.3 . 1 . . . A 122 GLN C . 18480 1 1400 . 1 1 122 122 GLN CA C 13 58.766 0.3 . 1 . . . A 122 GLN CA . 18480 1 1401 . 1 1 122 122 GLN CB C 13 28.432 0.3 . 1 . . . A 122 GLN CB . 18480 1 1402 . 1 1 122 122 GLN CG C 13 34.354 0.3 . 1 . . . A 122 GLN CG . 18480 1 1403 . 1 1 122 122 GLN N N 15 121.849 0.3 . 1 . . . A 122 GLN N . 18480 1 1404 . 1 1 122 122 GLN NE2 N 15 110.972 0.3 . 1 . . . A 122 GLN NE2 . 18480 1 1405 . 1 1 123 123 LEU H H 1 8.081 0.020 . 1 . . . A 123 LEU H . 18480 1 1406 . 1 1 123 123 LEU HA H 1 3.418 0.020 . 1 . . . A 123 LEU HA . 18480 1 1407 . 1 1 123 123 LEU HB2 H 1 0.684 0.020 . 2 . . . A 123 LEU HB2 . 18480 1 1408 . 1 1 123 123 LEU HB3 H 1 1.777 0.020 . 2 . . . A 123 LEU HB3 . 18480 1 1409 . 1 1 123 123 LEU HG H 1 1.681 0.020 . 1 . . . A 123 LEU HG . 18480 1 1410 . 1 1 123 123 LEU HD11 H 1 0.562 0.020 . 2 . . . A 123 LEU HD11 . 18480 1 1411 . 1 1 123 123 LEU HD12 H 1 0.562 0.020 . 2 . . . A 123 LEU HD12 . 18480 1 1412 . 1 1 123 123 LEU HD13 H 1 0.562 0.020 . 2 . . . A 123 LEU HD13 . 18480 1 1413 . 1 1 123 123 LEU HD21 H 1 0.729 0.020 . 2 . . . A 123 LEU HD21 . 18480 1 1414 . 1 1 123 123 LEU HD22 H 1 0.729 0.020 . 2 . . . A 123 LEU HD22 . 18480 1 1415 . 1 1 123 123 LEU HD23 H 1 0.729 0.020 . 2 . . . A 123 LEU HD23 . 18480 1 1416 . 1 1 123 123 LEU C C 13 178.354 0.3 . 1 . . . A 123 LEU C . 18480 1 1417 . 1 1 123 123 LEU CA C 13 57.816 0.3 . 1 . . . A 123 LEU CA . 18480 1 1418 . 1 1 123 123 LEU CB C 13 40.851 0.3 . 1 . . . A 123 LEU CB . 18480 1 1419 . 1 1 123 123 LEU CG C 13 26.212 0.3 . 1 . . . A 123 LEU CG . 18480 1 1420 . 1 1 123 123 LEU CD1 C 13 23.832 0.3 . 1 . . . A 123 LEU CD1 . 18480 1 1421 . 1 1 123 123 LEU CD2 C 13 25.685 0.3 . 1 . . . A 123 LEU CD2 . 18480 1 1422 . 1 1 123 123 LEU N N 15 120.855 0.3 . 1 . . . A 123 LEU N . 18480 1 1423 . 1 1 124 124 VAL H H 1 7.574 0.020 . 1 . . . A 124 VAL H . 18480 1 1424 . 1 1 124 124 VAL HA H 1 3.350 0.020 . 1 . . . A 124 VAL HA . 18480 1 1425 . 1 1 124 124 VAL HB H 1 2.114 0.020 . 1 . . . A 124 VAL HB . 18480 1 1426 . 1 1 124 124 VAL HG11 H 1 0.913 0.020 . 2 . . . A 124 VAL HG11 . 18480 1 1427 . 1 1 124 124 VAL HG12 H 1 0.913 0.020 . 2 . . . A 124 VAL HG12 . 18480 1 1428 . 1 1 124 124 VAL HG13 H 1 0.913 0.020 . 2 . . . A 124 VAL HG13 . 18480 1 1429 . 1 1 124 124 VAL HG21 H 1 1.109 0.020 . 2 . . . A 124 VAL HG21 . 18480 1 1430 . 1 1 124 124 VAL HG22 H 1 1.109 0.020 . 2 . . . A 124 VAL HG22 . 18480 1 1431 . 1 1 124 124 VAL HG23 H 1 1.109 0.020 . 2 . . . A 124 VAL HG23 . 18480 1 1432 . 1 1 124 124 VAL C C 13 177.453 0.3 . 1 . . . A 124 VAL C . 18480 1 1433 . 1 1 124 124 VAL CA C 13 67.473 0.3 . 1 . . . A 124 VAL CA . 18480 1 1434 . 1 1 124 124 VAL CB C 13 31.606 0.3 . 1 . . . A 124 VAL CB . 18480 1 1435 . 1 1 124 124 VAL CG1 C 13 22.184 0.3 . 1 . . . A 124 VAL CG1 . 18480 1 1436 . 1 1 124 124 VAL CG2 C 13 22.126 0.3 . 1 . . . A 124 VAL CG2 . 18480 1 1437 . 1 1 124 124 VAL N N 15 115.864 0.3 . 1 . . . A 124 VAL N . 18480 1 1438 . 1 1 125 125 SER H H 1 6.950 0.020 . 1 . . . A 125 SER H . 18480 1 1439 . 1 1 125 125 SER HA H 1 4.054 0.020 . 1 . . . A 125 SER HA . 18480 1 1440 . 1 1 125 125 SER HB2 H 1 3.846 0.020 . 2 . . . A 125 SER HB2 . 18480 1 1441 . 1 1 125 125 SER HB3 H 1 3.900 0.020 . 2 . . . A 125 SER HB3 . 18480 1 1442 . 1 1 125 125 SER C C 13 175.937 0.3 . 1 . . . A 125 SER C . 18480 1 1443 . 1 1 125 125 SER CA C 13 61.763 0.3 . 1 . . . A 125 SER CA . 18480 1 1444 . 1 1 125 125 SER CB C 13 62.864 0.3 . 1 . . . A 125 SER CB . 18480 1 1445 . 1 1 125 125 SER N N 15 110.334 0.3 . 1 . . . A 125 SER N . 18480 1 1446 . 1 1 126 126 MET H H 1 8.113 0.020 . 1 . . . A 126 MET H . 18480 1 1447 . 1 1 126 126 MET HA H 1 3.951 0.020 . 1 . . . A 126 MET HA . 18480 1 1448 . 1 1 126 126 MET HB2 H 1 1.893 0.020 . 1 . . . A 126 MET HB2 . 18480 1 1449 . 1 1 126 126 MET HB3 H 1 1.893 0.020 . 1 . . . A 126 MET HB3 . 18480 1 1450 . 1 1 126 126 MET HG2 H 1 2.314 0.020 . 2 . . . A 126 MET HG2 . 18480 1 1451 . 1 1 126 126 MET HG3 H 1 2.482 0.020 . 2 . . . A 126 MET HG3 . 18480 1 1452 . 1 1 126 126 MET HE1 H 1 1.784 0.020 . 1 . . . A 126 MET HE1 . 18480 1 1453 . 1 1 126 126 MET HE2 H 1 1.784 0.020 . 1 . . . A 126 MET HE2 . 18480 1 1454 . 1 1 126 126 MET HE3 H 1 1.784 0.020 . 1 . . . A 126 MET HE3 . 18480 1 1455 . 1 1 126 126 MET C C 13 179.254 0.3 . 1 . . . A 126 MET C . 18480 1 1456 . 1 1 126 126 MET CA C 13 59.246 0.3 . 1 . . . A 126 MET CA . 18480 1 1457 . 1 1 126 126 MET CB C 13 33.265 0.3 . 1 . . . A 126 MET CB . 18480 1 1458 . 1 1 126 126 MET CG C 13 31.950 0.3 . 1 . . . A 126 MET CG . 18480 1 1459 . 1 1 126 126 MET CE C 13 17.539 0.3 . 1 . . . A 126 MET CE . 18480 1 1460 . 1 1 126 126 MET N N 15 121.750 0.3 . 1 . . . A 126 MET N . 18480 1 1461 . 1 1 127 127 PHE H H 1 8.791 0.020 . 1 . . . A 127 PHE H . 18480 1 1462 . 1 1 127 127 PHE HA H 1 4.643 0.020 . 1 . . . A 127 PHE HA . 18480 1 1463 . 1 1 127 127 PHE HB2 H 1 2.967 0.020 . 2 . . . A 127 PHE HB2 . 18480 1 1464 . 1 1 127 127 PHE HB3 H 1 3.186 0.020 . 2 . . . A 127 PHE HB3 . 18480 1 1465 . 1 1 127 127 PHE HD1 H 1 6.807 0.020 . 1 . . . A 127 PHE HD1 . 18480 1 1466 . 1 1 127 127 PHE HD2 H 1 6.807 0.020 . 1 . . . A 127 PHE HD2 . 18480 1 1467 . 1 1 127 127 PHE HE1 H 1 7.266 0.020 . 1 . . . A 127 PHE HE1 . 18480 1 1468 . 1 1 127 127 PHE HE2 H 1 7.266 0.020 . 1 . . . A 127 PHE HE2 . 18480 1 1469 . 1 1 127 127 PHE HZ H 1 7.097 0.020 . 1 . . . A 127 PHE HZ . 18480 1 1470 . 1 1 127 127 PHE C C 13 178.128 0.3 . 1 . . . A 127 PHE C . 18480 1 1471 . 1 1 127 127 PHE CA C 13 56.759 0.3 . 1 . . . A 127 PHE CA . 18480 1 1472 . 1 1 127 127 PHE CB C 13 37.061 0.3 . 1 . . . A 127 PHE CB . 18480 1 1473 . 1 1 127 127 PHE CD1 C 13 129.944 0.3 . 1 . . . A 127 PHE CD1 . 18480 1 1474 . 1 1 127 127 PHE CD2 C 13 129.764 0.3 . 1 . . . A 127 PHE CD2 . 18480 1 1475 . 1 1 127 127 PHE CE1 C 13 130.986 0.3 . 1 . . . A 127 PHE CE1 . 18480 1 1476 . 1 1 127 127 PHE CE2 C 13 130.986 0.3 . 1 . . . A 127 PHE CE2 . 18480 1 1477 . 1 1 127 127 PHE CZ C 13 129.154 0.3 . 1 . . . A 127 PHE CZ . 18480 1 1478 . 1 1 127 127 PHE N N 15 118.909 0.3 . 1 . . . A 127 PHE N . 18480 1 1479 . 1 1 128 128 ALA H H 1 8.235 0.020 . 1 . . . A 128 ALA H . 18480 1 1480 . 1 1 128 128 ALA HA H 1 4.176 0.020 . 1 . . . A 128 ALA HA . 18480 1 1481 . 1 1 128 128 ALA HB1 H 1 1.587 0.020 . 1 . . . A 128 ALA HB1 . 18480 1 1482 . 1 1 128 128 ALA HB2 H 1 1.587 0.020 . 1 . . . A 128 ALA HB2 . 18480 1 1483 . 1 1 128 128 ALA HB3 H 1 1.587 0.020 . 1 . . . A 128 ALA HB3 . 18480 1 1484 . 1 1 128 128 ALA C C 13 178.789 0.3 . 1 . . . A 128 ALA C . 18480 1 1485 . 1 1 128 128 ALA CA C 13 54.665 0.3 . 1 . . . A 128 ALA CA . 18480 1 1486 . 1 1 128 128 ALA CB C 13 19.165 0.3 . 1 . . . A 128 ALA CB . 18480 1 1487 . 1 1 128 128 ALA N N 15 122.620 0.3 . 1 . . . A 128 ALA N . 18480 1 1488 . 1 1 129 129 GLN H H 1 7.715 0.020 . 1 . . . A 129 GLN H . 18480 1 1489 . 1 1 129 129 GLN HA H 1 4.225 0.020 . 1 . . . A 129 GLN HA . 18480 1 1490 . 1 1 129 129 GLN HB2 H 1 2.108 0.020 . 2 . . . A 129 GLN HB2 . 18480 1 1491 . 1 1 129 129 GLN HB3 H 1 2.193 0.020 . 2 . . . A 129 GLN HB3 . 18480 1 1492 . 1 1 129 129 GLN HG2 H 1 2.422 0.020 . 2 . . . A 129 GLN HG2 . 18480 1 1493 . 1 1 129 129 GLN HG3 H 1 2.515 0.020 . 2 . . . A 129 GLN HG3 . 18480 1 1494 . 1 1 129 129 GLN HE21 H 1 6.799 0.020 . 1 . . . A 129 GLN HE21 . 18480 1 1495 . 1 1 129 129 GLN HE22 H 1 7.366 0.020 . 1 . . . A 129 GLN HE22 . 18480 1 1496 . 1 1 129 129 GLN C C 13 177.258 0.3 . 1 . . . A 129 GLN C . 18480 1 1497 . 1 1 129 129 GLN CA C 13 57.018 0.3 . 1 . . . A 129 GLN CA . 18480 1 1498 . 1 1 129 129 GLN CB C 13 29.125 0.3 . 1 . . . A 129 GLN CB . 18480 1 1499 . 1 1 129 129 GLN CG C 13 34.151 0.3 . 1 . . . A 129 GLN CG . 18480 1 1500 . 1 1 129 129 GLN N N 15 116.507 0.3 . 1 . . . A 129 GLN N . 18480 1 1501 . 1 1 129 129 GLN NE2 N 15 111.825 0.3 . 1 . . . A 129 GLN NE2 . 18480 1 1502 . 1 1 130 130 ALA H H 1 7.775 0.020 . 1 . . . A 130 ALA H . 18480 1 1503 . 1 1 130 130 ALA HA H 1 4.220 0.020 . 1 . . . A 130 ALA HA . 18480 1 1504 . 1 1 130 130 ALA HB1 H 1 1.457 0.020 . 1 . . . A 130 ALA HB1 . 18480 1 1505 . 1 1 130 130 ALA HB2 H 1 1.457 0.020 . 1 . . . A 130 ALA HB2 . 18480 1 1506 . 1 1 130 130 ALA HB3 H 1 1.457 0.020 . 1 . . . A 130 ALA HB3 . 18480 1 1507 . 1 1 130 130 ALA C C 13 178.564 0.3 . 1 . . . A 130 ALA C . 18480 1 1508 . 1 1 130 130 ALA CA C 13 53.806 0.3 . 1 . . . A 130 ALA CA . 18480 1 1509 . 1 1 130 130 ALA CB C 13 18.960 0.3 . 1 . . . A 130 ALA CB . 18480 1 1510 . 1 1 130 130 ALA N N 15 122.020 0.3 . 1 . . . A 130 ALA N . 18480 1 1511 . 1 1 131 131 GLY H H 1 8.110 0.020 . 1 . . . A 131 GLY H . 18480 1 1512 . 1 1 131 131 GLY HA2 H 1 3.928 0.020 . 2 . . . A 131 GLY HA2 . 18480 1 1513 . 1 1 131 131 GLY HA3 H 1 3.997 0.020 . 2 . . . A 131 GLY HA3 . 18480 1 1514 . 1 1 131 131 GLY C C 13 173.970 0.3 . 1 . . . A 131 GLY C . 18480 1 1515 . 1 1 131 131 GLY CA C 13 46.113 0.3 . 1 . . . A 131 GLY CA . 18480 1 1516 . 1 1 131 131 GLY N N 15 106.006 0.3 . 1 . . . A 131 GLY N . 18480 1 1517 . 1 1 132 132 MET H H 1 7.945 0.020 . 1 . . . A 132 MET H . 18480 1 1518 . 1 1 132 132 MET HA H 1 4.401 0.020 . 1 . . . A 132 MET HA . 18480 1 1519 . 1 1 132 132 MET HB2 H 1 2.026 0.020 . 1 . . . A 132 MET HB2 . 18480 1 1520 . 1 1 132 132 MET HB3 H 1 2.026 0.020 . 1 . . . A 132 MET HB3 . 18480 1 1521 . 1 1 132 132 MET HG2 H 1 2.473 0.020 . 2 . . . A 132 MET HG2 . 18480 1 1522 . 1 1 132 132 MET HG3 H 1 2.582 0.020 . 2 . . . A 132 MET HG3 . 18480 1 1523 . 1 1 132 132 MET HE1 H 1 1.892 0.020 . 1 . . . A 132 MET HE1 . 18480 1 1524 . 1 1 132 132 MET HE2 H 1 1.892 0.020 . 1 . . . A 132 MET HE2 . 18480 1 1525 . 1 1 132 132 MET HE3 H 1 1.892 0.020 . 1 . . . A 132 MET HE3 . 18480 1 1526 . 1 1 132 132 MET C C 13 175.952 0.3 . 1 . . . A 132 MET C . 18480 1 1527 . 1 1 132 132 MET CA C 13 56.375 0.3 . 1 . . . A 132 MET CA . 18480 1 1528 . 1 1 132 132 MET CB C 13 32.939 0.3 . 1 . . . A 132 MET CB . 18480 1 1529 . 1 1 132 132 MET CG C 13 32.188 0.3 . 1 . . . A 132 MET CG . 18480 1 1530 . 1 1 132 132 MET CE C 13 16.967 0.3 . 1 . . . A 132 MET CE . 18480 1 1531 . 1 1 132 132 MET N N 15 118.637 0.3 . 1 . . . A 132 MET N . 18480 1 1532 . 1 1 133 133 ASN H H 1 8.283 0.020 . 1 . . . A 133 ASN H . 18480 1 1533 . 1 1 133 133 ASN HA H 1 4.771 0.020 . 1 . . . A 133 ASN HA . 18480 1 1534 . 1 1 133 133 ASN HB2 H 1 2.730 0.020 . 2 . . . A 133 ASN HB2 . 18480 1 1535 . 1 1 133 133 ASN HB3 H 1 2.858 0.020 . 2 . . . A 133 ASN HB3 . 18480 1 1536 . 1 1 133 133 ASN HD21 H 1 6.963 0.020 . 1 . . . A 133 ASN HD21 . 18480 1 1537 . 1 1 133 133 ASN HD22 H 1 7.590 0.020 . 1 . . . A 133 ASN HD22 . 18480 1 1538 . 1 1 133 133 ASN C C 13 174.646 0.3 . 1 . . . A 133 ASN C . 18480 1 1539 . 1 1 133 133 ASN CA C 13 53.488 0.3 . 1 . . . A 133 ASN CA . 18480 1 1540 . 1 1 133 133 ASN CB C 13 39.376 0.3 . 1 . . . A 133 ASN CB . 18480 1 1541 . 1 1 133 133 ASN N N 15 117.955 0.3 . 1 . . . A 133 ASN N . 18480 1 1542 . 1 1 133 133 ASN ND2 N 15 113.112 0.3 . 1 . . . A 133 ASN ND2 . 18480 1 1543 . 1 1 134 134 ASP H H 1 8.192 0.020 . 1 . . . A 134 ASP H . 18480 1 1544 . 1 1 134 134 ASP HA H 1 4.619 0.020 . 1 . . . A 134 ASP HA . 18480 1 1545 . 1 1 134 134 ASP HB2 H 1 2.625 0.020 . 2 . . . A 134 ASP HB2 . 18480 1 1546 . 1 1 134 134 ASP HB3 H 1 2.726 0.020 . 2 . . . A 134 ASP HB3 . 18480 1 1547 . 1 1 134 134 ASP C C 13 176.162 0.3 . 1 . . . A 134 ASP C . 18480 1 1548 . 1 1 134 134 ASP CA C 13 54.401 0.3 . 1 . . . A 134 ASP CA . 18480 1 1549 . 1 1 134 134 ASP CB C 13 41.173 0.3 . 1 . . . A 134 ASP CB . 18480 1 1550 . 1 1 134 134 ASP N N 15 120.891 0.3 . 1 . . . A 134 ASP N . 18480 1 1551 . 1 1 135 135 VAL H H 1 8.056 0.020 . 1 . . . A 135 VAL H . 18480 1 1552 . 1 1 135 135 VAL HA H 1 4.180 0.020 . 1 . . . A 135 VAL HA . 18480 1 1553 . 1 1 135 135 VAL HB H 1 2.122 0.020 . 1 . . . A 135 VAL HB . 18480 1 1554 . 1 1 135 135 VAL HG11 H 1 0.904 0.020 . 2 . . . A 135 VAL HG11 . 18480 1 1555 . 1 1 135 135 VAL HG12 H 1 0.904 0.020 . 2 . . . A 135 VAL HG12 . 18480 1 1556 . 1 1 135 135 VAL HG13 H 1 0.904 0.020 . 2 . . . A 135 VAL HG13 . 18480 1 1557 . 1 1 135 135 VAL HG21 H 1 0.913 0.020 . 2 . . . A 135 VAL HG21 . 18480 1 1558 . 1 1 135 135 VAL HG22 H 1 0.913 0.020 . 2 . . . A 135 VAL HG22 . 18480 1 1559 . 1 1 135 135 VAL HG23 H 1 0.913 0.020 . 2 . . . A 135 VAL HG23 . 18480 1 1560 . 1 1 135 135 VAL C C 13 176.162 0.3 . 1 . . . A 135 VAL C . 18480 1 1561 . 1 1 135 135 VAL CA C 13 62.146 0.3 . 1 . . . A 135 VAL CA . 18480 1 1562 . 1 1 135 135 VAL CB C 13 32.730 0.3 . 1 . . . A 135 VAL CB . 18480 1 1563 . 1 1 135 135 VAL CG1 C 13 20.233 0.3 . 1 . . . A 135 VAL CG1 . 18480 1 1564 . 1 1 135 135 VAL CG2 C 13 21.405 0.3 . 1 . . . A 135 VAL CG2 . 18480 1 1565 . 1 1 135 135 VAL N N 15 119.737 0.3 . 1 . . . A 135 VAL N . 18480 1 1566 . 1 1 136 136 SER H H 1 8.355 0.020 . 1 . . . A 136 SER H . 18480 1 1567 . 1 1 136 136 SER HA H 1 4.427 0.020 . 1 . . . A 136 SER HA . 18480 1 1568 . 1 1 136 136 SER HB2 H 1 3.837 0.020 . 1 . . . A 136 SER HB2 . 18480 1 1569 . 1 1 136 136 SER HB3 H 1 3.837 0.020 . 1 . . . A 136 SER HB3 . 18480 1 1570 . 1 1 136 136 SER C C 13 173.325 0.3 . 1 . . . A 136 SER C . 18480 1 1571 . 1 1 136 136 SER CA C 13 58.351 0.3 . 1 . . . A 136 SER CA . 18480 1 1572 . 1 1 136 136 SER CB C 13 64.031 0.3 . 1 . . . A 136 SER CB . 18480 1 1573 . 1 1 136 136 SER N N 15 119.689 0.3 . 1 . . . A 136 SER N . 18480 1 1574 . 1 1 137 137 ALA H H 1 7.922 0.020 . 1 . . . A 137 ALA H . 18480 1 1575 . 1 1 137 137 ALA HA H 1 4.114 0.020 . 1 . . . A 137 ALA HA . 18480 1 1576 . 1 1 137 137 ALA HB1 H 1 1.316 0.020 . 1 . . . A 137 ALA HB1 . 18480 1 1577 . 1 1 137 137 ALA HB2 H 1 1.316 0.020 . 1 . . . A 137 ALA HB2 . 18480 1 1578 . 1 1 137 137 ALA HB3 H 1 1.316 0.020 . 1 . . . A 137 ALA HB3 . 18480 1 1579 . 1 1 137 137 ALA C C 13 182.512 0.3 . 1 . . . A 137 ALA C . 18480 1 1580 . 1 1 137 137 ALA CA C 13 53.951 0.3 . 1 . . . A 137 ALA CA . 18480 1 1581 . 1 1 137 137 ALA CB C 13 20.303 0.3 . 1 . . . A 137 ALA CB . 18480 1 1582 . 1 1 137 137 ALA N N 15 131.539 0.3 . 1 . . . A 137 ALA N . 18480 1 stop_ save_