data_18262 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18262 _Entry.Title ; NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-14 _Entry.Accession_date 2012-02-14 _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 Kristaps Jaudzems . . . 18262 2 Kerstin Nordling . . . 18262 3 Michael Landreh . . . 18262 4 Anna Rising . . . 18262 5 Gelareh Askarieh . . . 18262 6 Stefan Knight . . . 18262 7 Jan Johansson . . . 18262 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' . 18262 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 18262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 18262 '15N chemical shifts' 142 18262 '1H chemical shifts' 868 18262 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 . . 2013-02-12 2012-02-14 update BMRB 'update entry citation' 18262 1 . . 2012-06-26 2012-02-14 original author 'original release' 18262 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18261 'ampullate spidroin 1 N-terminal domain' 18262 PDB 2LPJ 'BMRB Entry Tracking System' 18262 PDB 3lr2 'wild type NT dimer' 18262 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18262 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22706024 _Citation.Full_citation . _Citation.Title 'pH-dependent dimerization of spider silk N-terminal domain requires relocation of a wedged tryptophan side chain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 422 _Citation.Journal_issue 4 _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 477 _Citation.Page_last 487 _Citation.Year 2012 _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 Kristaps Jaudzems . . . 18262 1 2 Glareh Askarieh . . . 18262 1 3 Michael Landreh . . . 18262 1 4 Kerstin Nordling . . . 18262 1 5 My Hedhammar . . . 18262 1 6 Hans Jornvall . . . 18262 1 7 Anna Rising . . . 18262 1 8 Stefan Knight . D. . 18262 1 9 Jan Johansson . . . 18262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18262 _Assembly.ID 1 _Assembly.Name Major_ampullate_spidroin_1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Major_ampullate_spidroin_1 1 $Major_ampullate_spidroin_1 A . yes native no no . . . 18262 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 18262 _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 _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 . . . . 18262 1 2 no BMRB 18480 . Major_ampullate_spidroin_1 . . . . . 100.00 137 100.00 100.00 8.64e-90 . . . . 18262 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 . . . . 18262 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 . . . . 18262 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 . . . . 18262 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 . . . . 18262 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 . . . . 18262 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 . . . . 18262 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 . . . . 18262 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 . . . . 18262 1 11 no EMBL CAJ90517 . "major ampullate spidroin 1 precursor [Euprosthenops australis]" . . . . . 97.08 394 100.00 100.00 5.61e-89 . . . . 18262 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 1 GLY . 18262 1 2 2 SER . 18262 1 3 3 GLY . 18262 1 4 4 ASN . 18262 1 5 5 SER . 18262 1 6 6 HIS . 18262 1 7 7 THR . 18262 1 8 8 THR . 18262 1 9 9 PRO . 18262 1 10 10 TRP . 18262 1 11 11 THR . 18262 1 12 12 ASN . 18262 1 13 13 PRO . 18262 1 14 14 GLY . 18262 1 15 15 LEU . 18262 1 16 16 ALA . 18262 1 17 17 GLU . 18262 1 18 18 ASN . 18262 1 19 19 PHE . 18262 1 20 20 MET . 18262 1 21 21 ASN . 18262 1 22 22 SER . 18262 1 23 23 PHE . 18262 1 24 24 MET . 18262 1 25 25 GLN . 18262 1 26 26 GLY . 18262 1 27 27 LEU . 18262 1 28 28 SER . 18262 1 29 29 SER . 18262 1 30 30 MET . 18262 1 31 31 PRO . 18262 1 32 32 GLY . 18262 1 33 33 PHE . 18262 1 34 34 THR . 18262 1 35 35 ALA . 18262 1 36 36 SER . 18262 1 37 37 GLN . 18262 1 38 38 LEU . 18262 1 39 39 ASP . 18262 1 40 40 ASP . 18262 1 41 41 MET . 18262 1 42 42 SER . 18262 1 43 43 THR . 18262 1 44 44 ILE . 18262 1 45 45 ALA . 18262 1 46 46 GLN . 18262 1 47 47 SER . 18262 1 48 48 MET . 18262 1 49 49 VAL . 18262 1 50 50 GLN . 18262 1 51 51 SER . 18262 1 52 52 ILE . 18262 1 53 53 GLN . 18262 1 54 54 SER . 18262 1 55 55 LEU . 18262 1 56 56 ALA . 18262 1 57 57 ALA . 18262 1 58 58 GLN . 18262 1 59 59 GLY . 18262 1 60 60 ARG . 18262 1 61 61 THR . 18262 1 62 62 SER . 18262 1 63 63 PRO . 18262 1 64 64 ASN . 18262 1 65 65 LYS . 18262 1 66 66 LEU . 18262 1 67 67 GLN . 18262 1 68 68 ALA . 18262 1 69 69 LEU . 18262 1 70 70 ASN . 18262 1 71 71 MET . 18262 1 72 72 ALA . 18262 1 73 73 PHE . 18262 1 74 74 ALA . 18262 1 75 75 SER . 18262 1 76 76 SER . 18262 1 77 77 MET . 18262 1 78 78 ALA . 18262 1 79 79 GLU . 18262 1 80 80 ILE . 18262 1 81 81 ALA . 18262 1 82 82 ALA . 18262 1 83 83 SER . 18262 1 84 84 GLU . 18262 1 85 85 GLU . 18262 1 86 86 GLY . 18262 1 87 87 GLY . 18262 1 88 88 GLY . 18262 1 89 89 SER . 18262 1 90 90 LEU . 18262 1 91 91 SER . 18262 1 92 92 THR . 18262 1 93 93 LYS . 18262 1 94 94 THR . 18262 1 95 95 SER . 18262 1 96 96 SER . 18262 1 97 97 ILE . 18262 1 98 98 ALA . 18262 1 99 99 SER . 18262 1 100 100 ALA . 18262 1 101 101 MET . 18262 1 102 102 SER . 18262 1 103 103 ASN . 18262 1 104 104 ALA . 18262 1 105 105 PHE . 18262 1 106 106 LEU . 18262 1 107 107 GLN . 18262 1 108 108 THR . 18262 1 109 109 THR . 18262 1 110 110 GLY . 18262 1 111 111 VAL . 18262 1 112 112 VAL . 18262 1 113 113 ASN . 18262 1 114 114 GLN . 18262 1 115 115 PRO . 18262 1 116 116 PHE . 18262 1 117 117 ILE . 18262 1 118 118 ASN . 18262 1 119 119 GLU . 18262 1 120 120 ILE . 18262 1 121 121 THR . 18262 1 122 122 GLN . 18262 1 123 123 LEU . 18262 1 124 124 VAL . 18262 1 125 125 SER . 18262 1 126 126 MET . 18262 1 127 127 PHE . 18262 1 128 128 ALA . 18262 1 129 129 GLN . 18262 1 130 130 ALA . 18262 1 131 131 GLY . 18262 1 132 132 MET . 18262 1 133 133 ASN . 18262 1 134 134 ASP . 18262 1 135 135 VAL . 18262 1 136 136 SER . 18262 1 137 137 ALA . 18262 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 18262 1 . SER 2 2 18262 1 . GLY 3 3 18262 1 . ASN 4 4 18262 1 . SER 5 5 18262 1 . HIS 6 6 18262 1 . THR 7 7 18262 1 . THR 8 8 18262 1 . PRO 9 9 18262 1 . TRP 10 10 18262 1 . THR 11 11 18262 1 . ASN 12 12 18262 1 . PRO 13 13 18262 1 . GLY 14 14 18262 1 . LEU 15 15 18262 1 . ALA 16 16 18262 1 . GLU 17 17 18262 1 . ASN 18 18 18262 1 . PHE 19 19 18262 1 . MET 20 20 18262 1 . ASN 21 21 18262 1 . SER 22 22 18262 1 . PHE 23 23 18262 1 . MET 24 24 18262 1 . GLN 25 25 18262 1 . GLY 26 26 18262 1 . LEU 27 27 18262 1 . SER 28 28 18262 1 . SER 29 29 18262 1 . MET 30 30 18262 1 . PRO 31 31 18262 1 . GLY 32 32 18262 1 . PHE 33 33 18262 1 . THR 34 34 18262 1 . ALA 35 35 18262 1 . SER 36 36 18262 1 . GLN 37 37 18262 1 . LEU 38 38 18262 1 . ASP 39 39 18262 1 . ASP 40 40 18262 1 . MET 41 41 18262 1 . SER 42 42 18262 1 . THR 43 43 18262 1 . ILE 44 44 18262 1 . ALA 45 45 18262 1 . GLN 46 46 18262 1 . SER 47 47 18262 1 . MET 48 48 18262 1 . VAL 49 49 18262 1 . GLN 50 50 18262 1 . SER 51 51 18262 1 . ILE 52 52 18262 1 . GLN 53 53 18262 1 . SER 54 54 18262 1 . LEU 55 55 18262 1 . ALA 56 56 18262 1 . ALA 57 57 18262 1 . GLN 58 58 18262 1 . GLY 59 59 18262 1 . ARG 60 60 18262 1 . THR 61 61 18262 1 . SER 62 62 18262 1 . PRO 63 63 18262 1 . ASN 64 64 18262 1 . LYS 65 65 18262 1 . LEU 66 66 18262 1 . GLN 67 67 18262 1 . ALA 68 68 18262 1 . LEU 69 69 18262 1 . ASN 70 70 18262 1 . MET 71 71 18262 1 . ALA 72 72 18262 1 . PHE 73 73 18262 1 . ALA 74 74 18262 1 . SER 75 75 18262 1 . SER 76 76 18262 1 . MET 77 77 18262 1 . ALA 78 78 18262 1 . GLU 79 79 18262 1 . ILE 80 80 18262 1 . ALA 81 81 18262 1 . ALA 82 82 18262 1 . SER 83 83 18262 1 . GLU 84 84 18262 1 . GLU 85 85 18262 1 . GLY 86 86 18262 1 . GLY 87 87 18262 1 . GLY 88 88 18262 1 . SER 89 89 18262 1 . LEU 90 90 18262 1 . SER 91 91 18262 1 . THR 92 92 18262 1 . LYS 93 93 18262 1 . THR 94 94 18262 1 . SER 95 95 18262 1 . SER 96 96 18262 1 . ILE 97 97 18262 1 . ALA 98 98 18262 1 . SER 99 99 18262 1 . ALA 100 100 18262 1 . MET 101 101 18262 1 . SER 102 102 18262 1 . ASN 103 103 18262 1 . ALA 104 104 18262 1 . PHE 105 105 18262 1 . LEU 106 106 18262 1 . GLN 107 107 18262 1 . THR 108 108 18262 1 . THR 109 109 18262 1 . GLY 110 110 18262 1 . VAL 111 111 18262 1 . VAL 112 112 18262 1 . ASN 113 113 18262 1 . GLN 114 114 18262 1 . PRO 115 115 18262 1 . PHE 116 116 18262 1 . ILE 117 117 18262 1 . ASN 118 118 18262 1 . GLU 119 119 18262 1 . ILE 120 120 18262 1 . THR 121 121 18262 1 . GLN 122 122 18262 1 . LEU 123 123 18262 1 . VAL 124 124 18262 1 . SER 125 125 18262 1 . MET 126 126 18262 1 . PHE 127 127 18262 1 . ALA 128 128 18262 1 . GLN 129 129 18262 1 . ALA 130 130 18262 1 . GLY 131 131 18262 1 . MET 132 132 18262 1 . ASN 133 133 18262 1 . ASP 134 134 18262 1 . VAL 135 135 18262 1 . SER 136 136 18262 1 . ALA 137 137 18262 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 18262 _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' Spiders . . Eukaryota Metazoa Euprosthenops australis . . . . . . . . . . . . . . . . masp1 . . . . 18262 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 18262 _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. ; . . 18262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18262 _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 . . 1.9 . . mM 0.2 . . . 18262 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 18262 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM 10 . . . 18262 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % 0.005 . . . 18262 1 5 D2O '[U-100% 2H]' . . . . . . 5 . . % 0.5 . . . 18262 1 6 H2O 'natural abundance' . . . . . . 95 . . % 0.5 . . . 18262 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 18262 _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' 0.35 0.02 M 18262 1 pH 7.2 0.1 pH 18262 1 pressure 1 . atm 18262 1 temperature 298 0.2 K 18262 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18262 _Software.ID 1 _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' . . 18262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18262 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18262 _Software.ID 2 _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' . . 18262 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18262 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18262 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18262 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18262 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18262 _Software.ID 4 _Software.Name VNMRJ _Software.Version 2.1b _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18262 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18262 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18262 _Software.ID 5 _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' . . 18262 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18262 5 'peak picking' 18262 5 'structure solution' 18262 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18262 _Software.ID 6 _Software.Name CARA _Software.Version 1.9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R. Keller' . . 18262 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18262 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 18262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'HCN triple resonance RT probe' _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 18262 _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 'HCN triple resonance RT probe' . . 18262 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 18262 _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 . . . . . . . . . . . . . . . . 18262 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18262 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18262 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18262 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18262 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18262 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 18262 _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 4.77 internal indirect 0.251449530 . . . . . . . . . 18262 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . . . . . 18262 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . . . . . 18262 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 18262 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 18262 1 3 '3D HNCA' . . . 18262 1 4 '3D 1H-15N NOESY' . . . 18262 1 5 '3D 1H-13C NOESY aliphatic' . . . 18262 1 6 '3D 1H-13C NOESY aromatic' . . . 18262 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 CA C 13 45.270 0.3 . 1 . . . A 3 GLY CA . 18262 1 2 . 1 1 4 4 ASN H H 1 7.979 0.020 . 1 . . . A 4 ASN H . 18262 1 3 . 1 1 4 4 ASN CA C 13 54.827 0.3 . 1 . . . A 4 ASN CA . 18262 1 4 . 1 1 4 4 ASN N N 15 124.122 0.3 . 1 . . . A 4 ASN N . 18262 1 5 . 1 1 6 6 HIS HA H 1 4.692 0.020 . 1 . . . A 6 HIS HA . 18262 1 6 . 1 1 6 6 HIS HB2 H 1 2.989 0.020 . 2 . . . A 6 HIS HB2 . 18262 1 7 . 1 1 6 6 HIS HB3 H 1 3.101 0.020 . 2 . . . A 6 HIS HB3 . 18262 1 8 . 1 1 6 6 HIS HD2 H 1 6.944 0.020 . 1 . . . A 6 HIS HD2 . 18262 1 9 . 1 1 6 6 HIS HE1 H 1 7.768 0.020 . 1 . . . A 6 HIS HE1 . 18262 1 10 . 1 1 6 6 HIS CA C 13 56.068 0.3 . 1 . . . A 6 HIS CA . 18262 1 11 . 1 1 6 6 HIS CB C 13 31.102 0.3 . 1 . . . A 6 HIS CB . 18262 1 12 . 1 1 6 6 HIS CD2 C 13 119.933 0.3 . 1 . . . A 6 HIS CD2 . 18262 1 13 . 1 1 6 6 HIS CE1 C 13 138.475 0.3 . 1 . . . A 6 HIS CE1 . 18262 1 14 . 1 1 7 7 THR H H 1 8.132 0.020 . 1 . . . A 7 THR H . 18262 1 15 . 1 1 7 7 THR HA H 1 4.312 0.020 . 1 . . . A 7 THR HA . 18262 1 16 . 1 1 7 7 THR HB H 1 4.147 0.020 . 1 . . . A 7 THR HB . 18262 1 17 . 1 1 7 7 THR HG21 H 1 1.120 0.020 . 1 . . . A 7 THR HG21 . 18262 1 18 . 1 1 7 7 THR HG22 H 1 1.120 0.020 . 1 . . . A 7 THR HG22 . 18262 1 19 . 1 1 7 7 THR HG23 H 1 1.120 0.020 . 1 . . . A 7 THR HG23 . 18262 1 20 . 1 1 7 7 THR CA C 13 62.316 0.3 . 1 . . . A 7 THR CA . 18262 1 21 . 1 1 7 7 THR CB C 13 69.849 0.3 . 1 . . . A 7 THR CB . 18262 1 22 . 1 1 7 7 THR CG2 C 13 21.875 0.3 . 1 . . . A 7 THR CG2 . 18262 1 23 . 1 1 7 7 THR N N 15 115.462 0.3 . 1 . . . A 7 THR N . 18262 1 24 . 1 1 8 8 THR H H 1 7.981 0.020 . 1 . . . A 8 THR H . 18262 1 25 . 1 1 8 8 THR HA H 1 4.164 0.020 . 1 . . . A 8 THR HA . 18262 1 26 . 1 1 8 8 THR HB H 1 3.643 0.020 . 1 . . . A 8 THR HB . 18262 1 27 . 1 1 8 8 THR HG21 H 1 1.143 0.020 . 1 . . . A 8 THR HG21 . 18262 1 28 . 1 1 8 8 THR HG22 H 1 1.143 0.020 . 1 . . . A 8 THR HG22 . 18262 1 29 . 1 1 8 8 THR HG23 H 1 1.143 0.020 . 1 . . . A 8 THR HG23 . 18262 1 30 . 1 1 8 8 THR CA C 13 58.419 0.3 . 1 . . . A 8 THR CA . 18262 1 31 . 1 1 8 8 THR CB C 13 69.385 0.3 . 1 . . . A 8 THR CB . 18262 1 32 . 1 1 8 8 THR CG2 C 13 21.990 0.3 . 1 . . . A 8 THR CG2 . 18262 1 33 . 1 1 8 8 THR N N 15 115.752 0.3 . 1 . . . A 8 THR N . 18262 1 34 . 1 1 9 9 PRO HA H 1 3.952 0.020 . 1 . . . A 9 PRO HA . 18262 1 35 . 1 1 9 9 PRO HB2 H 1 0.625 0.020 . 2 . . . A 9 PRO HB2 . 18262 1 36 . 1 1 9 9 PRO HB3 H 1 0.824 0.020 . 2 . . . A 9 PRO HB3 . 18262 1 37 . 1 1 9 9 PRO HG2 H 1 -0.801 0.020 . 2 . . . A 9 PRO HG2 . 18262 1 38 . 1 1 9 9 PRO HG3 H 1 -0.389 0.020 . 2 . . . A 9 PRO HG3 . 18262 1 39 . 1 1 9 9 PRO HD2 H 1 1.771 0.020 . 2 . . . A 9 PRO HD2 . 18262 1 40 . 1 1 9 9 PRO HD3 H 1 2.077 0.020 . 2 . . . A 9 PRO HD3 . 18262 1 41 . 1 1 9 9 PRO CA C 13 63.035 0.3 . 1 . . . A 9 PRO CA . 18262 1 42 . 1 1 9 9 PRO CB C 13 30.659 0.3 . 1 . . . A 9 PRO CB . 18262 1 43 . 1 1 9 9 PRO CG C 13 25.423 0.3 . 1 . . . A 9 PRO CG . 18262 1 44 . 1 1 9 9 PRO CD C 13 49.322 0.3 . 1 . . . A 9 PRO CD . 18262 1 45 . 1 1 10 10 TRP H H 1 6.710 0.020 . 1 . . . A 10 TRP H . 18262 1 46 . 1 1 10 10 TRP HA H 1 4.896 0.020 . 1 . . . A 10 TRP HA . 18262 1 47 . 1 1 10 10 TRP HB2 H 1 2.952 0.020 . 2 . . . A 10 TRP HB2 . 18262 1 48 . 1 1 10 10 TRP HB3 H 1 3.394 0.020 . 2 . . . A 10 TRP HB3 . 18262 1 49 . 1 1 10 10 TRP HD1 H 1 7.133 0.020 . 1 . . . A 10 TRP HD1 . 18262 1 50 . 1 1 10 10 TRP HE1 H 1 10.988 0.020 . 1 . . . A 10 TRP HE1 . 18262 1 51 . 1 1 10 10 TRP HE3 H 1 7.032 0.020 . 1 . . . A 10 TRP HE3 . 18262 1 52 . 1 1 10 10 TRP HZ2 H 1 7.088 0.020 . 1 . . . A 10 TRP HZ2 . 18262 1 53 . 1 1 10 10 TRP HZ3 H 1 6.616 0.020 . 1 . . . A 10 TRP HZ3 . 18262 1 54 . 1 1 10 10 TRP HH2 H 1 6.465 0.020 . 1 . . . A 10 TRP HH2 . 18262 1 55 . 1 1 10 10 TRP CA C 13 54.469 0.3 . 1 . . . A 10 TRP CA . 18262 1 56 . 1 1 10 10 TRP CB C 13 31.246 0.3 . 1 . . . A 10 TRP CB . 18262 1 57 . 1 1 10 10 TRP CD1 C 13 128.312 0.3 . 1 . . . A 10 TRP CD1 . 18262 1 58 . 1 1 10 10 TRP CE3 C 13 121.472 0.3 . 1 . . . A 10 TRP CE3 . 18262 1 59 . 1 1 10 10 TRP CZ2 C 13 114.102 0.3 . 1 . . . A 10 TRP CZ2 . 18262 1 60 . 1 1 10 10 TRP CZ3 C 13 120.068 0.3 . 1 . . . A 10 TRP CZ3 . 18262 1 61 . 1 1 10 10 TRP CH2 C 13 123.508 0.3 . 1 . . . A 10 TRP CH2 . 18262 1 62 . 1 1 10 10 TRP N N 15 111.703 0.3 . 1 . . . A 10 TRP N . 18262 1 63 . 1 1 10 10 TRP NE1 N 15 130.693 0.3 . 1 . . . A 10 TRP NE1 . 18262 1 64 . 1 1 11 11 THR H H 1 7.197 0.020 . 1 . . . A 11 THR H . 18262 1 65 . 1 1 11 11 THR HA H 1 3.893 0.020 . 1 . . . A 11 THR HA . 18262 1 66 . 1 1 11 11 THR HB H 1 4.299 0.020 . 1 . . . A 11 THR HB . 18262 1 67 . 1 1 11 11 THR HG21 H 1 1.249 0.020 . 1 . . . A 11 THR HG21 . 18262 1 68 . 1 1 11 11 THR HG22 H 1 1.249 0.020 . 1 . . . A 11 THR HG22 . 18262 1 69 . 1 1 11 11 THR HG23 H 1 1.249 0.020 . 1 . . . A 11 THR HG23 . 18262 1 70 . 1 1 11 11 THR CA C 13 64.050 0.3 . 1 . . . A 11 THR CA . 18262 1 71 . 1 1 11 11 THR CB C 13 69.312 0.3 . 1 . . . A 11 THR CB . 18262 1 72 . 1 1 11 11 THR CG2 C 13 22.307 0.3 . 1 . . . A 11 THR CG2 . 18262 1 73 . 1 1 11 11 THR N N 15 106.459 0.3 . 1 . . . A 11 THR N . 18262 1 74 . 1 1 12 12 ASN H H 1 7.285 0.020 . 1 . . . A 12 ASN H . 18262 1 75 . 1 1 12 12 ASN HA H 1 5.108 0.020 . 1 . . . A 12 ASN HA . 18262 1 76 . 1 1 12 12 ASN HB2 H 1 2.857 0.020 . 1 . . . A 12 ASN HB2 . 18262 1 77 . 1 1 12 12 ASN HB3 H 1 2.857 0.020 . 1 . . . A 12 ASN HB3 . 18262 1 78 . 1 1 12 12 ASN CA C 13 51.325 0.3 . 1 . . . A 12 ASN CA . 18262 1 79 . 1 1 12 12 ASN CB C 13 40.629 0.3 . 1 . . . A 12 ASN CB . 18262 1 80 . 1 1 12 12 ASN N N 15 116.465 0.3 . 1 . . . A 12 ASN N . 18262 1 81 . 1 1 13 13 PRO HA H 1 4.199 0.020 . 1 . . . A 13 PRO HA . 18262 1 82 . 1 1 13 13 PRO HB2 H 1 2.147 0.020 . 1 . . . A 13 PRO HB2 . 18262 1 83 . 1 1 13 13 PRO HB3 H 1 2.147 0.020 . 1 . . . A 13 PRO HB3 . 18262 1 84 . 1 1 13 13 PRO HG2 H 1 1.917 0.020 . 2 . . . A 13 PRO HG2 . 18262 1 85 . 1 1 13 13 PRO HG3 H 1 2.234 0.020 . 2 . . . A 13 PRO HG3 . 18262 1 86 . 1 1 13 13 PRO HD2 H 1 3.800 0.020 . 2 . . . A 13 PRO HD2 . 18262 1 87 . 1 1 13 13 PRO HD3 H 1 3.940 0.020 . 2 . . . A 13 PRO HD3 . 18262 1 88 . 1 1 13 13 PRO CA C 13 65.511 0.3 . 1 . . . A 13 PRO CA . 18262 1 89 . 1 1 13 13 PRO CB C 13 32.552 0.3 . 1 . . . A 13 PRO CB . 18262 1 90 . 1 1 13 13 PRO CG C 13 27.918 0.3 . 1 . . . A 13 PRO CG . 18262 1 91 . 1 1 13 13 PRO CD C 13 50.762 0.3 . 1 . . . A 13 PRO CD . 18262 1 92 . 1 1 14 14 GLY H H 1 8.364 0.020 . 1 . . . A 14 GLY H . 18262 1 93 . 1 1 14 14 GLY HA2 H 1 3.901 0.020 . 2 . . . A 14 GLY HA2 . 18262 1 94 . 1 1 14 14 GLY HA3 H 1 3.976 0.020 . 2 . . . A 14 GLY HA3 . 18262 1 95 . 1 1 14 14 GLY CA C 13 47.154 0.3 . 1 . . . A 14 GLY CA . 18262 1 96 . 1 1 14 14 GLY N N 15 109.155 0.3 . 1 . . . A 14 GLY N . 18262 1 97 . 1 1 15 15 LEU H H 1 7.910 0.020 . 1 . . . A 15 LEU H . 18262 1 98 . 1 1 15 15 LEU HA H 1 4.337 0.020 . 1 . . . A 15 LEU HA . 18262 1 99 . 1 1 15 15 LEU HB2 H 1 1.607 0.020 . 2 . . . A 15 LEU HB2 . 18262 1 100 . 1 1 15 15 LEU HB3 H 1 1.783 0.020 . 2 . . . A 15 LEU HB3 . 18262 1 101 . 1 1 15 15 LEU HG H 1 1.624 0.020 . 1 . . . A 15 LEU HG . 18262 1 102 . 1 1 15 15 LEU HD11 H 1 0.827 0.020 . 2 . . . A 15 LEU HD11 . 18262 1 103 . 1 1 15 15 LEU HD12 H 1 0.827 0.020 . 2 . . . A 15 LEU HD12 . 18262 1 104 . 1 1 15 15 LEU HD13 H 1 0.827 0.020 . 2 . . . A 15 LEU HD13 . 18262 1 105 . 1 1 15 15 LEU HD21 H 1 0.985 0.020 . 2 . . . A 15 LEU HD21 . 18262 1 106 . 1 1 15 15 LEU HD22 H 1 0.985 0.020 . 2 . . . A 15 LEU HD22 . 18262 1 107 . 1 1 15 15 LEU HD23 H 1 0.985 0.020 . 2 . . . A 15 LEU HD23 . 18262 1 108 . 1 1 15 15 LEU CA C 13 57.547 0.3 . 1 . . . A 15 LEU CA . 18262 1 109 . 1 1 15 15 LEU CB C 13 41.670 0.3 . 1 . . . A 15 LEU CB . 18262 1 110 . 1 1 15 15 LEU CG C 13 27.469 0.3 . 1 . . . A 15 LEU CG . 18262 1 111 . 1 1 15 15 LEU CD1 C 13 25.769 0.3 . 1 . . . A 15 LEU CD1 . 18262 1 112 . 1 1 15 15 LEU CD2 C 13 23.596 0.3 . 1 . . . A 15 LEU CD2 . 18262 1 113 . 1 1 15 15 LEU N N 15 124.654 0.3 . 1 . . . A 15 LEU N . 18262 1 114 . 1 1 16 16 ALA H H 1 8.440 0.020 . 1 . . . A 16 ALA H . 18262 1 115 . 1 1 16 16 ALA HA H 1 4.004 0.020 . 1 . . . A 16 ALA HA . 18262 1 116 . 1 1 16 16 ALA HB1 H 1 1.695 0.020 . 1 . . . A 16 ALA HB1 . 18262 1 117 . 1 1 16 16 ALA HB2 H 1 1.695 0.020 . 1 . . . A 16 ALA HB2 . 18262 1 118 . 1 1 16 16 ALA HB3 H 1 1.695 0.020 . 1 . . . A 16 ALA HB3 . 18262 1 119 . 1 1 16 16 ALA CA C 13 56.430 0.3 . 1 . . . A 16 ALA CA . 18262 1 120 . 1 1 16 16 ALA CB C 13 19.453 0.3 . 1 . . . A 16 ALA CB . 18262 1 121 . 1 1 16 16 ALA N N 15 121.271 0.3 . 1 . . . A 16 ALA N . 18262 1 122 . 1 1 17 17 GLU H H 1 7.971 0.020 . 1 . . . A 17 GLU H . 18262 1 123 . 1 1 17 17 GLU HA H 1 3.961 0.020 . 1 . . . A 17 GLU HA . 18262 1 124 . 1 1 17 17 GLU HB2 H 1 2.074 0.020 . 2 . . . A 17 GLU HB2 . 18262 1 125 . 1 1 17 17 GLU HB3 H 1 2.194 0.020 . 2 . . . A 17 GLU HB3 . 18262 1 126 . 1 1 17 17 GLU HG3 H 1 2.248 0.020 . 1 . . . A 17 GLU HG3 . 18262 1 127 . 1 1 17 17 GLU CA C 13 59.613 0.3 . 1 . . . A 17 GLU CA . 18262 1 128 . 1 1 17 17 GLU CB C 13 30.002 0.3 . 1 . . . A 17 GLU CB . 18262 1 129 . 1 1 17 17 GLU CG C 13 36.036 0.3 . 1 . . . A 17 GLU CG . 18262 1 130 . 1 1 17 17 GLU N N 15 117.125 0.3 . 1 . . . A 17 GLU N . 18262 1 131 . 1 1 18 18 ASN H H 1 8.071 0.020 . 1 . . . A 18 ASN H . 18262 1 132 . 1 1 18 18 ASN HA H 1 4.543 0.020 . 1 . . . A 18 ASN HA . 18262 1 133 . 1 1 18 18 ASN HB2 H 1 2.889 0.020 . 2 . . . A 18 ASN HB2 . 18262 1 134 . 1 1 18 18 ASN HB3 H 1 2.958 0.020 . 2 . . . A 18 ASN HB3 . 18262 1 135 . 1 1 18 18 ASN HD21 H 1 7.661 0.020 . 1 . . . A 18 ASN HD21 . 18262 1 136 . 1 1 18 18 ASN HD22 H 1 6.955 0.020 . 1 . . . A 18 ASN HD22 . 18262 1 137 . 1 1 18 18 ASN CA C 13 56.296 0.3 . 1 . . . A 18 ASN CA . 18262 1 138 . 1 1 18 18 ASN CB C 13 38.322 0.3 . 1 . . . A 18 ASN CB . 18262 1 139 . 1 1 18 18 ASN N N 15 118.526 0.3 . 1 . . . A 18 ASN N . 18262 1 140 . 1 1 18 18 ASN ND2 N 15 112.370 0.3 . 1 . . . A 18 ASN ND2 . 18262 1 141 . 1 1 19 19 PHE H H 1 9.658 0.020 . 1 . . . A 19 PHE H . 18262 1 142 . 1 1 19 19 PHE HA H 1 3.875 0.020 . 1 . . . A 19 PHE HA . 18262 1 143 . 1 1 19 19 PHE HB2 H 1 2.899 0.020 . 2 . . . A 19 PHE HB2 . 18262 1 144 . 1 1 19 19 PHE HB3 H 1 3.156 0.020 . 2 . . . A 19 PHE HB3 . 18262 1 145 . 1 1 19 19 PHE HD1 H 1 6.630 0.020 . 1 . . . A 19 PHE HD1 . 18262 1 146 . 1 1 19 19 PHE HD2 H 1 6.630 0.020 . 1 . . . A 19 PHE HD2 . 18262 1 147 . 1 1 19 19 PHE HE1 H 1 6.033 0.020 . 1 . . . A 19 PHE HE1 . 18262 1 148 . 1 1 19 19 PHE HE2 H 1 6.033 0.020 . 1 . . . A 19 PHE HE2 . 18262 1 149 . 1 1 19 19 PHE HZ H 1 6.511 0.020 . 1 . . . A 19 PHE HZ . 18262 1 150 . 1 1 19 19 PHE CA C 13 62.300 0.3 . 1 . . . A 19 PHE CA . 18262 1 151 . 1 1 19 19 PHE CB C 13 39.499 0.3 . 1 . . . A 19 PHE CB . 18262 1 152 . 1 1 19 19 PHE CD1 C 13 131.369 0.3 . 1 . . . A 19 PHE CD1 . 18262 1 153 . 1 1 19 19 PHE CD2 C 13 131.369 0.3 . 1 . . . A 19 PHE CD2 . 18262 1 154 . 1 1 19 19 PHE CE1 C 13 130.579 0.3 . 1 . . . A 19 PHE CE1 . 18262 1 155 . 1 1 19 19 PHE CE2 C 13 130.579 0.3 . 1 . . . A 19 PHE CE2 . 18262 1 156 . 1 1 19 19 PHE CZ C 13 128.274 0.3 . 1 . . . A 19 PHE CZ . 18262 1 157 . 1 1 19 19 PHE N N 15 122.197 0.3 . 1 . . . A 19 PHE N . 18262 1 158 . 1 1 20 20 MET H H 1 8.874 0.020 . 1 . . . A 20 MET H . 18262 1 159 . 1 1 20 20 MET HA H 1 4.432 0.020 . 1 . . . A 20 MET HA . 18262 1 160 . 1 1 20 20 MET HB2 H 1 2.130 0.020 . 2 . . . A 20 MET HB2 . 18262 1 161 . 1 1 20 20 MET HB3 H 1 2.373 0.020 . 2 . . . A 20 MET HB3 . 18262 1 162 . 1 1 20 20 MET HG2 H 1 2.745 0.020 . 2 . . . A 20 MET HG2 . 18262 1 163 . 1 1 20 20 MET HG3 H 1 2.887 0.020 . 2 . . . A 20 MET HG3 . 18262 1 164 . 1 1 20 20 MET HE1 H 1 1.766 0.020 . 1 . . . A 20 MET HE1 . 18262 1 165 . 1 1 20 20 MET HE2 H 1 1.766 0.020 . 1 . . . A 20 MET HE2 . 18262 1 166 . 1 1 20 20 MET HE3 H 1 1.766 0.020 . 1 . . . A 20 MET HE3 . 18262 1 167 . 1 1 20 20 MET CA C 13 57.732 0.3 . 1 . . . A 20 MET CA . 18262 1 168 . 1 1 20 20 MET CB C 13 31.999 0.3 . 1 . . . A 20 MET CB . 18262 1 169 . 1 1 20 20 MET CG C 13 33.806 0.3 . 1 . . . A 20 MET CG . 18262 1 170 . 1 1 20 20 MET CE C 13 18.838 0.3 . 1 . . . A 20 MET CE . 18262 1 171 . 1 1 20 20 MET N N 15 118.488 0.3 . 1 . . . A 20 MET N . 18262 1 172 . 1 1 21 21 ASN H H 1 8.468 0.020 . 1 . . . A 21 ASN H . 18262 1 173 . 1 1 21 21 ASN HA H 1 4.539 0.020 . 1 . . . A 21 ASN HA . 18262 1 174 . 1 1 21 21 ASN HB2 H 1 2.829 0.020 . 2 . . . A 21 ASN HB2 . 18262 1 175 . 1 1 21 21 ASN HB3 H 1 2.963 0.020 . 2 . . . A 21 ASN HB3 . 18262 1 176 . 1 1 21 21 ASN HD21 H 1 7.747 0.020 . 1 . . . A 21 ASN HD21 . 18262 1 177 . 1 1 21 21 ASN HD22 H 1 7.172 0.020 . 1 . . . A 21 ASN HD22 . 18262 1 178 . 1 1 21 21 ASN CA C 13 56.268 0.3 . 1 . . . A 21 ASN CA . 18262 1 179 . 1 1 21 21 ASN CB C 13 37.986 0.3 . 1 . . . A 21 ASN CB . 18262 1 180 . 1 1 21 21 ASN N N 15 118.434 0.3 . 1 . . . A 21 ASN N . 18262 1 181 . 1 1 21 21 ASN ND2 N 15 112.611 0.3 . 1 . . . A 21 ASN ND2 . 18262 1 182 . 1 1 22 22 SER H H 1 7.936 0.020 . 1 . . . A 22 SER H . 18262 1 183 . 1 1 22 22 SER HA H 1 4.193 0.020 . 1 . . . A 22 SER HA . 18262 1 184 . 1 1 22 22 SER HB2 H 1 3.723 0.020 . 2 . . . A 22 SER HB2 . 18262 1 185 . 1 1 22 22 SER HB3 H 1 3.889 0.020 . 2 . . . A 22 SER HB3 . 18262 1 186 . 1 1 22 22 SER CA C 13 62.195 0.3 . 1 . . . A 22 SER CA . 18262 1 187 . 1 1 22 22 SER CB C 13 62.997 0.3 . 1 . . . A 22 SER CB . 18262 1 188 . 1 1 22 22 SER N N 15 116.181 0.3 . 1 . . . A 22 SER N . 18262 1 189 . 1 1 23 23 PHE H H 1 9.054 0.020 . 1 . . . A 23 PHE H . 18262 1 190 . 1 1 23 23 PHE HA H 1 4.014 0.020 . 1 . . . A 23 PHE HA . 18262 1 191 . 1 1 23 23 PHE HB2 H 1 2.506 0.020 . 2 . . . A 23 PHE HB2 . 18262 1 192 . 1 1 23 23 PHE HB3 H 1 3.189 0.020 . 2 . . . A 23 PHE HB3 . 18262 1 193 . 1 1 23 23 PHE HD1 H 1 7.002 0.020 . 1 . . . A 23 PHE HD1 . 18262 1 194 . 1 1 23 23 PHE HD2 H 1 7.002 0.020 . 1 . . . A 23 PHE HD2 . 18262 1 195 . 1 1 23 23 PHE HE1 H 1 7.491 0.020 . 1 . . . A 23 PHE HE1 . 18262 1 196 . 1 1 23 23 PHE HE2 H 1 7.491 0.020 . 1 . . . A 23 PHE HE2 . 18262 1 197 . 1 1 23 23 PHE HZ H 1 7.213 0.020 . 1 . . . A 23 PHE HZ . 18262 1 198 . 1 1 23 23 PHE CA C 13 60.463 0.3 . 1 . . . A 23 PHE CA . 18262 1 199 . 1 1 23 23 PHE CB C 13 38.969 0.3 . 1 . . . A 23 PHE CB . 18262 1 200 . 1 1 23 23 PHE CD1 C 13 131.911 0.3 . 1 . . . A 23 PHE CD1 . 18262 1 201 . 1 1 23 23 PHE CD2 C 13 131.911 0.3 . 1 . . . A 23 PHE CD2 . 18262 1 202 . 1 1 23 23 PHE CE1 C 13 131.283 0.3 . 1 . . . A 23 PHE CE1 . 18262 1 203 . 1 1 23 23 PHE CE2 C 13 131.283 0.3 . 1 . . . A 23 PHE CE2 . 18262 1 204 . 1 1 23 23 PHE CZ C 13 129.767 0.3 . 1 . . . A 23 PHE CZ . 18262 1 205 . 1 1 23 23 PHE N N 15 125.045 0.3 . 1 . . . A 23 PHE N . 18262 1 206 . 1 1 24 24 MET H H 1 8.314 0.020 . 1 . . . A 24 MET H . 18262 1 207 . 1 1 24 24 MET HA H 1 4.029 0.020 . 1 . . . A 24 MET HA . 18262 1 208 . 1 1 24 24 MET HB2 H 1 1.957 0.020 . 2 . . . A 24 MET HB2 . 18262 1 209 . 1 1 24 24 MET HB3 H 1 2.182 0.020 . 2 . . . A 24 MET HB3 . 18262 1 210 . 1 1 24 24 MET HG2 H 1 2.516 0.020 . 2 . . . A 24 MET HG2 . 18262 1 211 . 1 1 24 24 MET HG3 H 1 2.855 0.020 . 2 . . . A 24 MET HG3 . 18262 1 212 . 1 1 24 24 MET HE1 H 1 1.591 0.020 . 1 . . . A 24 MET HE1 . 18262 1 213 . 1 1 24 24 MET HE2 H 1 1.591 0.020 . 1 . . . A 24 MET HE2 . 18262 1 214 . 1 1 24 24 MET HE3 H 1 1.591 0.020 . 1 . . . A 24 MET HE3 . 18262 1 215 . 1 1 24 24 MET CA C 13 56.117 0.3 . 1 . . . A 24 MET CA . 18262 1 216 . 1 1 24 24 MET CB C 13 30.378 0.3 . 1 . . . A 24 MET CB . 18262 1 217 . 1 1 24 24 MET CG C 13 31.541 0.3 . 1 . . . A 24 MET CG . 18262 1 218 . 1 1 24 24 MET CE C 13 16.685 0.3 . 1 . . . A 24 MET CE . 18262 1 219 . 1 1 24 24 MET N N 15 117.336 0.3 . 1 . . . A 24 MET N . 18262 1 220 . 1 1 25 25 GLN H H 1 8.044 0.020 . 1 . . . A 25 GLN H . 18262 1 221 . 1 1 25 25 GLN HA H 1 3.982 0.020 . 1 . . . A 25 GLN HA . 18262 1 222 . 1 1 25 25 GLN HB2 H 1 2.131 0.020 . 1 . . . A 25 GLN HB2 . 18262 1 223 . 1 1 25 25 GLN HB3 H 1 2.131 0.020 . 1 . . . A 25 GLN HB3 . 18262 1 224 . 1 1 25 25 GLN HG2 H 1 2.355 0.020 . 2 . . . A 25 GLN HG2 . 18262 1 225 . 1 1 25 25 GLN HG3 H 1 2.470 0.020 . 2 . . . A 25 GLN HG3 . 18262 1 226 . 1 1 25 25 GLN CA C 13 59.206 0.3 . 1 . . . A 25 GLN CA . 18262 1 227 . 1 1 25 25 GLN CB C 13 28.304 0.3 . 1 . . . A 25 GLN CB . 18262 1 228 . 1 1 25 25 GLN CG C 13 33.965 0.3 . 1 . . . A 25 GLN CG . 18262 1 229 . 1 1 25 25 GLN N N 15 120.286 0.3 . 1 . . . A 25 GLN N . 18262 1 230 . 1 1 26 26 GLY H H 1 8.101 0.020 . 1 . . . A 26 GLY H . 18262 1 231 . 1 1 26 26 GLY HA2 H 1 3.850 0.020 . 2 . . . A 26 GLY HA2 . 18262 1 232 . 1 1 26 26 GLY HA3 H 1 4.094 0.020 . 2 . . . A 26 GLY HA3 . 18262 1 233 . 1 1 26 26 GLY CA C 13 47.018 0.3 . 1 . . . A 26 GLY CA . 18262 1 234 . 1 1 26 26 GLY N N 15 107.817 0.3 . 1 . . . A 26 GLY N . 18262 1 235 . 1 1 27 27 LEU H H 1 8.391 0.020 . 1 . . . A 27 LEU H . 18262 1 236 . 1 1 27 27 LEU HA H 1 3.786 0.020 . 1 . . . A 27 LEU HA . 18262 1 237 . 1 1 27 27 LEU HB2 H 1 0.950 0.020 . 2 . . . A 27 LEU HB2 . 18262 1 238 . 1 1 27 27 LEU HB3 H 1 1.166 0.020 . 2 . . . A 27 LEU HB3 . 18262 1 239 . 1 1 27 27 LEU HG H 1 1.086 0.020 . 1 . . . A 27 LEU HG . 18262 1 240 . 1 1 27 27 LEU HD11 H 1 0.215 0.020 . 2 . . . A 27 LEU HD11 . 18262 1 241 . 1 1 27 27 LEU HD12 H 1 0.215 0.020 . 2 . . . A 27 LEU HD12 . 18262 1 242 . 1 1 27 27 LEU HD13 H 1 0.215 0.020 . 2 . . . A 27 LEU HD13 . 18262 1 243 . 1 1 27 27 LEU HD21 H 1 0.428 0.020 . 2 . . . A 27 LEU HD21 . 18262 1 244 . 1 1 27 27 LEU HD22 H 1 0.428 0.020 . 2 . . . A 27 LEU HD22 . 18262 1 245 . 1 1 27 27 LEU HD23 H 1 0.428 0.020 . 2 . . . A 27 LEU HD23 . 18262 1 246 . 1 1 27 27 LEU CA C 13 57.394 0.3 . 1 . . . A 27 LEU CA . 18262 1 247 . 1 1 27 27 LEU CB C 13 42.108 0.3 . 1 . . . A 27 LEU CB . 18262 1 248 . 1 1 27 27 LEU CG C 13 26.047 0.3 . 1 . . . A 27 LEU CG . 18262 1 249 . 1 1 27 27 LEU CD1 C 13 25.315 0.3 . 1 . . . A 27 LEU CD1 . 18262 1 250 . 1 1 27 27 LEU CD2 C 13 24.873 0.3 . 1 . . . A 27 LEU CD2 . 18262 1 251 . 1 1 27 27 LEU N N 15 122.926 0.3 . 1 . . . A 27 LEU N . 18262 1 252 . 1 1 28 28 SER H H 1 7.519 0.020 . 1 . . . A 28 SER H . 18262 1 253 . 1 1 28 28 SER HA H 1 4.150 0.020 . 1 . . . A 28 SER HA . 18262 1 254 . 1 1 28 28 SER HB2 H 1 3.943 0.020 . 2 . . . A 28 SER HB2 . 18262 1 255 . 1 1 28 28 SER HB3 H 1 3.983 0.020 . 2 . . . A 28 SER HB3 . 18262 1 256 . 1 1 28 28 SER CA C 13 61.223 0.3 . 1 . . . A 28 SER CA . 18262 1 257 . 1 1 28 28 SER CB C 13 63.390 0.3 . 1 . . . A 28 SER CB . 18262 1 258 . 1 1 28 28 SER N N 15 109.497 0.3 . 1 . . . A 28 SER N . 18262 1 259 . 1 1 29 29 SER H H 1 7.451 0.020 . 1 . . . A 29 SER H . 18262 1 260 . 1 1 29 29 SER HA H 1 4.739 0.020 . 1 . . . A 29 SER HA . 18262 1 261 . 1 1 29 29 SER HB2 H 1 3.949 0.020 . 2 . . . A 29 SER HB2 . 18262 1 262 . 1 1 29 29 SER HB3 H 1 4.043 0.020 . 2 . . . A 29 SER HB3 . 18262 1 263 . 1 1 29 29 SER CA C 13 58.035 0.3 . 1 . . . A 29 SER CA . 18262 1 264 . 1 1 29 29 SER CB C 13 64.626 0.3 . 1 . . . A 29 SER CB . 18262 1 265 . 1 1 29 29 SER N N 15 114.590 0.3 . 1 . . . A 29 SER N . 18262 1 266 . 1 1 30 30 MET H H 1 7.659 0.020 . 1 . . . A 30 MET H . 18262 1 267 . 1 1 30 30 MET HA H 1 4.946 0.020 . 1 . . . A 30 MET HA . 18262 1 268 . 1 1 30 30 MET HB2 H 1 2.208 0.020 . 2 . . . A 30 MET HB2 . 18262 1 269 . 1 1 30 30 MET HB3 H 1 2.410 0.020 . 2 . . . A 30 MET HB3 . 18262 1 270 . 1 1 30 30 MET HG2 H 1 2.796 0.020 . 2 . . . A 30 MET HG2 . 18262 1 271 . 1 1 30 30 MET HG3 H 1 2.867 0.020 . 2 . . . A 30 MET HG3 . 18262 1 272 . 1 1 30 30 MET HE1 H 1 2.052 0.020 . 1 . . . A 30 MET HE1 . 18262 1 273 . 1 1 30 30 MET HE2 H 1 2.052 0.020 . 1 . . . A 30 MET HE2 . 18262 1 274 . 1 1 30 30 MET HE3 H 1 2.052 0.020 . 1 . . . A 30 MET HE3 . 18262 1 275 . 1 1 30 30 MET CA C 13 53.633 0.3 . 1 . . . A 30 MET CA . 18262 1 276 . 1 1 30 30 MET CB C 13 32.300 0.3 . 1 . . . A 30 MET CB . 18262 1 277 . 1 1 30 30 MET CG C 13 33.449 0.3 . 1 . . . A 30 MET CG . 18262 1 278 . 1 1 30 30 MET CE C 13 18.136 0.3 . 1 . . . A 30 MET CE . 18262 1 279 . 1 1 30 30 MET N N 15 122.408 0.3 . 1 . . . A 30 MET N . 18262 1 280 . 1 1 31 31 PRO HA H 1 4.668 0.020 . 1 . . . A 31 PRO HA . 18262 1 281 . 1 1 31 31 PRO HB2 H 1 1.803 0.020 . 2 . . . A 31 PRO HB2 . 18262 1 282 . 1 1 31 31 PRO HB3 H 1 2.320 0.020 . 2 . . . A 31 PRO HB3 . 18262 1 283 . 1 1 31 31 PRO HG2 H 1 1.909 0.020 . 2 . . . A 31 PRO HG2 . 18262 1 284 . 1 1 31 31 PRO HG3 H 1 2.076 0.020 . 2 . . . A 31 PRO HG3 . 18262 1 285 . 1 1 31 31 PRO HD2 H 1 3.745 0.020 . 2 . . . A 31 PRO HD2 . 18262 1 286 . 1 1 31 31 PRO HD3 H 1 3.852 0.020 . 2 . . . A 31 PRO HD3 . 18262 1 287 . 1 1 31 31 PRO CA C 13 62.950 0.3 . 1 . . . A 31 PRO CA . 18262 1 288 . 1 1 31 31 PRO CB C 13 32.812 0.3 . 1 . . . A 31 PRO CB . 18262 1 289 . 1 1 31 31 PRO CG C 13 27.409 0.3 . 1 . . . A 31 PRO CG . 18262 1 290 . 1 1 31 31 PRO CD C 13 50.499 0.3 . 1 . . . A 31 PRO CD . 18262 1 291 . 1 1 32 32 GLY H H 1 8.407 0.020 . 1 . . . A 32 GLY H . 18262 1 292 . 1 1 32 32 GLY HA2 H 1 3.304 0.020 . 2 . . . A 32 GLY HA2 . 18262 1 293 . 1 1 32 32 GLY HA3 H 1 3.960 0.020 . 2 . . . A 32 GLY HA3 . 18262 1 294 . 1 1 32 32 GLY CA C 13 45.791 0.3 . 1 . . . A 32 GLY CA . 18262 1 295 . 1 1 32 32 GLY N N 15 106.245 0.3 . 1 . . . A 32 GLY N . 18262 1 296 . 1 1 33 33 PHE H H 1 7.865 0.020 . 1 . . . A 33 PHE H . 18262 1 297 . 1 1 33 33 PHE HA H 1 5.157 0.020 . 1 . . . A 33 PHE HA . 18262 1 298 . 1 1 33 33 PHE HB2 H 1 2.899 0.020 . 2 . . . A 33 PHE HB2 . 18262 1 299 . 1 1 33 33 PHE HB3 H 1 2.976 0.020 . 2 . . . A 33 PHE HB3 . 18262 1 300 . 1 1 33 33 PHE HD1 H 1 7.158 0.020 . 1 . . . A 33 PHE HD1 . 18262 1 301 . 1 1 33 33 PHE HD2 H 1 7.158 0.020 . 1 . . . A 33 PHE HD2 . 18262 1 302 . 1 1 33 33 PHE HE1 H 1 7.120 0.020 . 1 . . . A 33 PHE HE1 . 18262 1 303 . 1 1 33 33 PHE HE2 H 1 7.120 0.020 . 1 . . . A 33 PHE HE2 . 18262 1 304 . 1 1 33 33 PHE HZ H 1 7.080 0.020 . 1 . . . A 33 PHE HZ . 18262 1 305 . 1 1 33 33 PHE CA C 13 56.933 0.3 . 1 . . . A 33 PHE CA . 18262 1 306 . 1 1 33 33 PHE CB C 13 42.112 0.3 . 1 . . . A 33 PHE CB . 18262 1 307 . 1 1 33 33 PHE CD1 C 13 132.501 0.3 . 1 . . . A 33 PHE CD1 . 18262 1 308 . 1 1 33 33 PHE CD2 C 13 132.501 0.3 . 1 . . . A 33 PHE CD2 . 18262 1 309 . 1 1 33 33 PHE CE1 C 13 130.338 0.3 . 1 . . . A 33 PHE CE1 . 18262 1 310 . 1 1 33 33 PHE CE2 C 13 130.338 0.3 . 1 . . . A 33 PHE CE2 . 18262 1 311 . 1 1 33 33 PHE CZ C 13 128.340 0.3 . 1 . . . A 33 PHE CZ . 18262 1 312 . 1 1 33 33 PHE N N 15 116.330 0.3 . 1 . . . A 33 PHE N . 18262 1 313 . 1 1 34 34 THR H H 1 8.895 0.020 . 1 . . . A 34 THR H . 18262 1 314 . 1 1 34 34 THR HA H 1 4.544 0.020 . 1 . . . A 34 THR HA . 18262 1 315 . 1 1 34 34 THR HB H 1 4.740 0.020 . 1 . . . A 34 THR HB . 18262 1 316 . 1 1 34 34 THR HG21 H 1 1.225 0.020 . 1 . . . A 34 THR HG21 . 18262 1 317 . 1 1 34 34 THR HG22 H 1 1.225 0.020 . 1 . . . A 34 THR HG22 . 18262 1 318 . 1 1 34 34 THR HG23 H 1 1.225 0.020 . 1 . . . A 34 THR HG23 . 18262 1 319 . 1 1 34 34 THR CA C 13 60.409 0.3 . 1 . . . A 34 THR CA . 18262 1 320 . 1 1 34 34 THR CB C 13 70.714 0.3 . 1 . . . A 34 THR CB . 18262 1 321 . 1 1 34 34 THR CG2 C 13 21.981 0.3 . 1 . . . A 34 THR CG2 . 18262 1 322 . 1 1 34 34 THR N N 15 113.680 0.3 . 1 . . . A 34 THR N . 18262 1 323 . 1 1 35 35 ALA H H 1 8.880 0.020 . 1 . . . A 35 ALA H . 18262 1 324 . 1 1 35 35 ALA HA H 1 4.085 0.020 . 1 . . . A 35 ALA HA . 18262 1 325 . 1 1 35 35 ALA HB1 H 1 1.514 0.020 . 1 . . . A 35 ALA HB1 . 18262 1 326 . 1 1 35 35 ALA HB2 H 1 1.514 0.020 . 1 . . . A 35 ALA HB2 . 18262 1 327 . 1 1 35 35 ALA HB3 H 1 1.514 0.020 . 1 . . . A 35 ALA HB3 . 18262 1 328 . 1 1 35 35 ALA CA C 13 55.897 0.3 . 1 . . . A 35 ALA CA . 18262 1 329 . 1 1 35 35 ALA CB C 13 18.168 0.3 . 1 . . . A 35 ALA CB . 18262 1 330 . 1 1 35 35 ALA N N 15 123.074 0.3 . 1 . . . A 35 ALA N . 18262 1 331 . 1 1 36 36 SER H H 1 8.413 0.020 . 1 . . . A 36 SER H . 18262 1 332 . 1 1 36 36 SER HA H 1 4.273 0.020 . 1 . . . A 36 SER HA . 18262 1 333 . 1 1 36 36 SER HB2 H 1 3.922 0.020 . 2 . . . A 36 SER HB2 . 18262 1 334 . 1 1 36 36 SER HB3 H 1 3.968 0.020 . 2 . . . A 36 SER HB3 . 18262 1 335 . 1 1 36 36 SER CA C 13 61.473 0.3 . 1 . . . A 36 SER CA . 18262 1 336 . 1 1 36 36 SER CB C 13 62.441 0.3 . 1 . . . A 36 SER CB . 18262 1 337 . 1 1 36 36 SER N N 15 112.915 0.3 . 1 . . . A 36 SER N . 18262 1 338 . 1 1 37 37 GLN H H 1 7.639 0.020 . 1 . . . A 37 GLN H . 18262 1 339 . 1 1 37 37 GLN HA H 1 4.276 0.020 . 1 . . . A 37 GLN HA . 18262 1 340 . 1 1 37 37 GLN HB2 H 1 1.898 0.020 . 2 . . . A 37 GLN HB2 . 18262 1 341 . 1 1 37 37 GLN HB3 H 1 2.677 0.020 . 2 . . . A 37 GLN HB3 . 18262 1 342 . 1 1 37 37 GLN HG2 H 1 2.557 0.020 . 2 . . . A 37 GLN HG2 . 18262 1 343 . 1 1 37 37 GLN HG3 H 1 2.624 0.020 . 2 . . . A 37 GLN HG3 . 18262 1 344 . 1 1 37 37 GLN HE21 H 1 7.533 0.020 . 1 . . . A 37 GLN HE21 . 18262 1 345 . 1 1 37 37 GLN HE22 H 1 6.715 0.020 . 1 . . . A 37 GLN HE22 . 18262 1 346 . 1 1 37 37 GLN CA C 13 58.708 0.3 . 1 . . . A 37 GLN CA . 18262 1 347 . 1 1 37 37 GLN CB C 13 29.193 0.3 . 1 . . . A 37 GLN CB . 18262 1 348 . 1 1 37 37 GLN CG C 13 35.209 0.3 . 1 . . . A 37 GLN CG . 18262 1 349 . 1 1 37 37 GLN N N 15 121.627 0.3 . 1 . . . A 37 GLN N . 18262 1 350 . 1 1 37 37 GLN NE2 N 15 110.876 0.3 . 1 . . . A 37 GLN NE2 . 18262 1 351 . 1 1 38 38 LEU H H 1 8.351 0.020 . 1 . . . A 38 LEU H . 18262 1 352 . 1 1 38 38 LEU HA H 1 3.827 0.020 . 1 . . . A 38 LEU HA . 18262 1 353 . 1 1 38 38 LEU HB2 H 1 1.374 0.020 . 2 . . . A 38 LEU HB2 . 18262 1 354 . 1 1 38 38 LEU HB3 H 1 1.960 0.020 . 2 . . . A 38 LEU HB3 . 18262 1 355 . 1 1 38 38 LEU HG H 1 1.683 0.020 . 1 . . . A 38 LEU HG . 18262 1 356 . 1 1 38 38 LEU HD11 H 1 0.464 0.020 . 2 . . . A 38 LEU HD11 . 18262 1 357 . 1 1 38 38 LEU HD12 H 1 0.464 0.020 . 2 . . . A 38 LEU HD12 . 18262 1 358 . 1 1 38 38 LEU HD13 H 1 0.464 0.020 . 2 . . . A 38 LEU HD13 . 18262 1 359 . 1 1 38 38 LEU HD21 H 1 0.845 0.020 . 2 . . . A 38 LEU HD21 . 18262 1 360 . 1 1 38 38 LEU HD22 H 1 0.845 0.020 . 2 . . . A 38 LEU HD22 . 18262 1 361 . 1 1 38 38 LEU HD23 H 1 0.845 0.020 . 2 . . . A 38 LEU HD23 . 18262 1 362 . 1 1 38 38 LEU CA C 13 57.999 0.3 . 1 . . . A 38 LEU CA . 18262 1 363 . 1 1 38 38 LEU CB C 13 41.026 0.3 . 1 . . . A 38 LEU CB . 18262 1 364 . 1 1 38 38 LEU CG C 13 27.074 0.3 . 1 . . . A 38 LEU CG . 18262 1 365 . 1 1 38 38 LEU CD1 C 13 22.776 0.3 . 1 . . . A 38 LEU CD1 . 18262 1 366 . 1 1 38 38 LEU CD2 C 13 25.776 0.3 . 1 . . . A 38 LEU CD2 . 18262 1 367 . 1 1 38 38 LEU N N 15 119.757 0.3 . 1 . . . A 38 LEU N . 18262 1 368 . 1 1 39 39 ASP H H 1 7.962 0.020 . 1 . . . A 39 ASP H . 18262 1 369 . 1 1 39 39 ASP HA H 1 4.436 0.020 . 1 . . . A 39 ASP HA . 18262 1 370 . 1 1 39 39 ASP HB2 H 1 2.798 0.020 . 2 . . . A 39 ASP HB2 . 18262 1 371 . 1 1 39 39 ASP HB3 H 1 2.880 0.020 . 2 . . . A 39 ASP HB3 . 18262 1 372 . 1 1 39 39 ASP CA C 13 57.780 0.3 . 1 . . . A 39 ASP CA . 18262 1 373 . 1 1 39 39 ASP CB C 13 40.372 0.3 . 1 . . . A 39 ASP CB . 18262 1 374 . 1 1 39 39 ASP N N 15 122.097 0.3 . 1 . . . A 39 ASP N . 18262 1 375 . 1 1 40 40 ASP H H 1 8.052 0.020 . 1 . . . A 40 ASP H . 18262 1 376 . 1 1 40 40 ASP HA H 1 4.490 0.020 . 1 . . . A 40 ASP HA . 18262 1 377 . 1 1 40 40 ASP HB2 H 1 2.658 0.020 . 2 . . . A 40 ASP HB2 . 18262 1 378 . 1 1 40 40 ASP HB3 H 1 2.905 0.020 . 2 . . . A 40 ASP HB3 . 18262 1 379 . 1 1 40 40 ASP CA C 13 57.890 0.3 . 1 . . . A 40 ASP CA . 18262 1 380 . 1 1 40 40 ASP CB C 13 40.260 0.3 . 1 . . . A 40 ASP CB . 18262 1 381 . 1 1 40 40 ASP N N 15 122.033 0.3 . 1 . . . A 40 ASP N . 18262 1 382 . 1 1 41 41 MET H H 1 8.708 0.020 . 1 . . . A 41 MET H . 18262 1 383 . 1 1 41 41 MET HA H 1 4.191 0.020 . 1 . . . A 41 MET HA . 18262 1 384 . 1 1 41 41 MET HB2 H 1 1.960 0.020 . 2 . . . A 41 MET HB2 . 18262 1 385 . 1 1 41 41 MET HB3 H 1 2.232 0.020 . 2 . . . A 41 MET HB3 . 18262 1 386 . 1 1 41 41 MET HG2 H 1 2.331 0.020 . 2 . . . A 41 MET HG2 . 18262 1 387 . 1 1 41 41 MET HG3 H 1 2.542 0.020 . 2 . . . A 41 MET HG3 . 18262 1 388 . 1 1 41 41 MET HE1 H 1 1.710 0.020 . 1 . . . A 41 MET HE1 . 18262 1 389 . 1 1 41 41 MET HE2 H 1 1.710 0.020 . 1 . . . A 41 MET HE2 . 18262 1 390 . 1 1 41 41 MET HE3 H 1 1.710 0.020 . 1 . . . A 41 MET HE3 . 18262 1 391 . 1 1 41 41 MET CA C 13 57.798 0.3 . 1 . . . A 41 MET CA . 18262 1 392 . 1 1 41 41 MET CB C 13 31.529 0.3 . 1 . . . A 41 MET CB . 18262 1 393 . 1 1 41 41 MET CG C 13 33.291 0.3 . 1 . . . A 41 MET CG . 18262 1 394 . 1 1 41 41 MET CE C 13 17.212 0.3 . 1 . . . A 41 MET CE . 18262 1 395 . 1 1 41 41 MET N N 15 121.130 0.3 . 1 . . . A 41 MET N . 18262 1 396 . 1 1 42 42 SER H H 1 8.364 0.020 . 1 . . . A 42 SER H . 18262 1 397 . 1 1 42 42 SER HA H 1 4.301 0.020 . 1 . . . A 42 SER HA . 18262 1 398 . 1 1 42 42 SER HB2 H 1 4.155 0.020 . 1 . . . A 42 SER HB2 . 18262 1 399 . 1 1 42 42 SER HB3 H 1 4.155 0.020 . 1 . . . A 42 SER HB3 . 18262 1 400 . 1 1 42 42 SER CA C 13 62.145 0.3 . 1 . . . A 42 SER CA . 18262 1 401 . 1 1 42 42 SER CB C 13 62.835 0.3 . 1 . . . A 42 SER CB . 18262 1 402 . 1 1 42 42 SER N N 15 116.303 0.3 . 1 . . . A 42 SER N . 18262 1 403 . 1 1 43 43 THR H H 1 7.944 0.020 . 1 . . . A 43 THR H . 18262 1 404 . 1 1 43 43 THR HA H 1 4.051 0.020 . 1 . . . A 43 THR HA . 18262 1 405 . 1 1 43 43 THR HB H 1 4.448 0.020 . 1 . . . A 43 THR HB . 18262 1 406 . 1 1 43 43 THR HG21 H 1 1.282 0.020 . 1 . . . A 43 THR HG21 . 18262 1 407 . 1 1 43 43 THR HG22 H 1 1.282 0.020 . 1 . . . A 43 THR HG22 . 18262 1 408 . 1 1 43 43 THR HG23 H 1 1.282 0.020 . 1 . . . A 43 THR HG23 . 18262 1 409 . 1 1 43 43 THR CA C 13 66.673 0.3 . 1 . . . A 43 THR CA . 18262 1 410 . 1 1 43 43 THR CB C 13 68.635 0.3 . 1 . . . A 43 THR CB . 18262 1 411 . 1 1 43 43 THR CG2 C 13 22.320 0.3 . 1 . . . A 43 THR CG2 . 18262 1 412 . 1 1 43 43 THR N N 15 119.136 0.3 . 1 . . . A 43 THR N . 18262 1 413 . 1 1 44 44 ILE H H 1 7.856 0.020 . 1 . . . A 44 ILE H . 18262 1 414 . 1 1 44 44 ILE HA H 1 3.948 0.020 . 1 . . . A 44 ILE HA . 18262 1 415 . 1 1 44 44 ILE HB H 1 2.240 0.020 . 1 . . . A 44 ILE HB . 18262 1 416 . 1 1 44 44 ILE HG12 H 1 1.332 0.020 . 2 . . . A 44 ILE HG12 . 18262 1 417 . 1 1 44 44 ILE HG13 H 1 1.808 0.020 . 2 . . . A 44 ILE HG13 . 18262 1 418 . 1 1 44 44 ILE HG21 H 1 1.115 0.020 . 1 . . . A 44 ILE HG21 . 18262 1 419 . 1 1 44 44 ILE HG22 H 1 1.115 0.020 . 1 . . . A 44 ILE HG22 . 18262 1 420 . 1 1 44 44 ILE HG23 H 1 1.115 0.020 . 1 . . . A 44 ILE HG23 . 18262 1 421 . 1 1 44 44 ILE HD11 H 1 0.843 0.020 . 1 . . . A 44 ILE HD11 . 18262 1 422 . 1 1 44 44 ILE HD12 H 1 0.843 0.020 . 1 . . . A 44 ILE HD12 . 18262 1 423 . 1 1 44 44 ILE HD13 H 1 0.843 0.020 . 1 . . . A 44 ILE HD13 . 18262 1 424 . 1 1 44 44 ILE CA C 13 64.647 0.3 . 1 . . . A 44 ILE CA . 18262 1 425 . 1 1 44 44 ILE CB C 13 38.047 0.3 . 1 . . . A 44 ILE CB . 18262 1 426 . 1 1 44 44 ILE CG1 C 13 28.588 0.3 . 1 . . . A 44 ILE CG1 . 18262 1 427 . 1 1 44 44 ILE CG2 C 13 18.247 0.3 . 1 . . . A 44 ILE CG2 . 18262 1 428 . 1 1 44 44 ILE CD1 C 13 14.356 0.3 . 1 . . . A 44 ILE CD1 . 18262 1 429 . 1 1 44 44 ILE N N 15 122.789 0.3 . 1 . . . A 44 ILE N . 18262 1 430 . 1 1 45 45 ALA H H 1 8.868 0.020 . 1 . . . A 45 ALA H . 18262 1 431 . 1 1 45 45 ALA HA H 1 4.134 0.020 . 1 . . . A 45 ALA HA . 18262 1 432 . 1 1 45 45 ALA HB1 H 1 1.756 0.020 . 1 . . . A 45 ALA HB1 . 18262 1 433 . 1 1 45 45 ALA HB2 H 1 1.756 0.020 . 1 . . . A 45 ALA HB2 . 18262 1 434 . 1 1 45 45 ALA HB3 H 1 1.756 0.020 . 1 . . . A 45 ALA HB3 . 18262 1 435 . 1 1 45 45 ALA CA C 13 56.079 0.3 . 1 . . . A 45 ALA CA . 18262 1 436 . 1 1 45 45 ALA CB C 13 18.978 0.3 . 1 . . . A 45 ALA CB . 18262 1 437 . 1 1 45 45 ALA N N 15 124.903 0.3 . 1 . . . A 45 ALA N . 18262 1 438 . 1 1 46 46 GLN H H 1 8.253 0.020 . 1 . . . A 46 GLN H . 18262 1 439 . 1 1 46 46 GLN HA H 1 4.064 0.020 . 1 . . . A 46 GLN HA . 18262 1 440 . 1 1 46 46 GLN HB2 H 1 2.204 0.020 . 1 . . . A 46 GLN HB2 . 18262 1 441 . 1 1 46 46 GLN HB3 H 1 2.204 0.020 . 1 . . . A 46 GLN HB3 . 18262 1 442 . 1 1 46 46 GLN HG2 H 1 2.438 0.020 . 2 . . . A 46 GLN HG2 . 18262 1 443 . 1 1 46 46 GLN HG3 H 1 2.547 0.020 . 2 . . . A 46 GLN HG3 . 18262 1 444 . 1 1 46 46 GLN HE21 H 1 7.482 0.020 . 1 . . . A 46 GLN HE21 . 18262 1 445 . 1 1 46 46 GLN HE22 H 1 6.827 0.020 . 1 . . . A 46 GLN HE22 . 18262 1 446 . 1 1 46 46 GLN CA C 13 58.973 0.3 . 1 . . . A 46 GLN CA . 18262 1 447 . 1 1 46 46 GLN CB C 13 28.320 0.3 . 1 . . . A 46 GLN CB . 18262 1 448 . 1 1 46 46 GLN CG C 13 34.282 0.3 . 1 . . . A 46 GLN CG . 18262 1 449 . 1 1 46 46 GLN N N 15 116.435 0.3 . 1 . . . A 46 GLN N . 18262 1 450 . 1 1 46 46 GLN NE2 N 15 111.818 0.3 . 1 . . . A 46 GLN NE2 . 18262 1 451 . 1 1 47 47 SER H H 1 8.242 0.020 . 1 . . . A 47 SER H . 18262 1 452 . 1 1 47 47 SER HA H 1 4.249 0.020 . 1 . . . A 47 SER HA . 18262 1 453 . 1 1 47 47 SER HB2 H 1 3.998 0.020 . 2 . . . A 47 SER HB2 . 18262 1 454 . 1 1 47 47 SER HB3 H 1 4.046 0.020 . 2 . . . A 47 SER HB3 . 18262 1 455 . 1 1 47 47 SER CA C 13 61.766 0.3 . 1 . . . A 47 SER CA . 18262 1 456 . 1 1 47 47 SER CB C 13 62.874 0.3 . 1 . . . A 47 SER CB . 18262 1 457 . 1 1 47 47 SER N N 15 116.211 0.3 . 1 . . . A 47 SER N . 18262 1 458 . 1 1 48 48 MET H H 1 8.198 0.020 . 1 . . . A 48 MET H . 18262 1 459 . 1 1 48 48 MET HA H 1 4.109 0.020 . 1 . . . A 48 MET HA . 18262 1 460 . 1 1 48 48 MET HB2 H 1 1.860 0.020 . 2 . . . A 48 MET HB2 . 18262 1 461 . 1 1 48 48 MET HB3 H 1 2.091 0.020 . 2 . . . A 48 MET HB3 . 18262 1 462 . 1 1 48 48 MET HG3 H 1 1.942 0.020 . 1 . . . A 48 MET HG3 . 18262 1 463 . 1 1 48 48 MET HE1 H 1 0.907 0.020 . 1 . . . A 48 MET HE1 . 18262 1 464 . 1 1 48 48 MET HE2 H 1 0.907 0.020 . 1 . . . A 48 MET HE2 . 18262 1 465 . 1 1 48 48 MET HE3 H 1 0.907 0.020 . 1 . . . A 48 MET HE3 . 18262 1 466 . 1 1 48 48 MET CA C 13 57.695 0.3 . 1 . . . A 48 MET CA . 18262 1 467 . 1 1 48 48 MET CB C 13 31.370 0.3 . 1 . . . A 48 MET CB . 18262 1 468 . 1 1 48 48 MET CG C 13 32.360 0.3 . 1 . . . A 48 MET CG . 18262 1 469 . 1 1 48 48 MET CE C 13 16.583 0.3 . 1 . . . A 48 MET CE . 18262 1 470 . 1 1 48 48 MET N N 15 122.179 0.3 . 1 . . . A 48 MET N . 18262 1 471 . 1 1 49 49 VAL H H 1 7.791 0.020 . 1 . . . A 49 VAL H . 18262 1 472 . 1 1 49 49 VAL HA H 1 3.279 0.020 . 1 . . . A 49 VAL HA . 18262 1 473 . 1 1 49 49 VAL HB H 1 2.211 0.020 . 1 . . . A 49 VAL HB . 18262 1 474 . 1 1 49 49 VAL HG11 H 1 0.904 0.020 . 2 . . . A 49 VAL HG11 . 18262 1 475 . 1 1 49 49 VAL HG12 H 1 0.904 0.020 . 2 . . . A 49 VAL HG12 . 18262 1 476 . 1 1 49 49 VAL HG13 H 1 0.904 0.020 . 2 . . . A 49 VAL HG13 . 18262 1 477 . 1 1 49 49 VAL HG21 H 1 1.050 0.020 . 2 . . . A 49 VAL HG21 . 18262 1 478 . 1 1 49 49 VAL HG22 H 1 1.050 0.020 . 2 . . . A 49 VAL HG22 . 18262 1 479 . 1 1 49 49 VAL HG23 H 1 1.050 0.020 . 2 . . . A 49 VAL HG23 . 18262 1 480 . 1 1 49 49 VAL CA C 13 67.937 0.3 . 1 . . . A 49 VAL CA . 18262 1 481 . 1 1 49 49 VAL CB C 13 31.553 0.3 . 1 . . . A 49 VAL CB . 18262 1 482 . 1 1 49 49 VAL CG1 C 13 21.545 0.3 . 1 . . . A 49 VAL CG1 . 18262 1 483 . 1 1 49 49 VAL CG2 C 13 23.869 0.3 . 1 . . . A 49 VAL CG2 . 18262 1 484 . 1 1 49 49 VAL N N 15 118.918 0.3 . 1 . . . A 49 VAL N . 18262 1 485 . 1 1 50 50 GLN H H 1 8.206 0.020 . 1 . . . A 50 GLN H . 18262 1 486 . 1 1 50 50 GLN HA H 1 4.092 0.020 . 1 . . . A 50 GLN HA . 18262 1 487 . 1 1 50 50 GLN HB2 H 1 2.193 0.020 . 1 . . . A 50 GLN HB2 . 18262 1 488 . 1 1 50 50 GLN HB3 H 1 2.193 0.020 . 1 . . . A 50 GLN HB3 . 18262 1 489 . 1 1 50 50 GLN HG2 H 1 2.441 0.020 . 2 . . . A 50 GLN HG2 . 18262 1 490 . 1 1 50 50 GLN HG3 H 1 2.540 0.020 . 2 . . . A 50 GLN HG3 . 18262 1 491 . 1 1 50 50 GLN HE21 H 1 7.426 0.020 . 1 . . . A 50 GLN HE21 . 18262 1 492 . 1 1 50 50 GLN HE22 H 1 6.909 0.020 . 1 . . . A 50 GLN HE22 . 18262 1 493 . 1 1 50 50 GLN CA C 13 59.126 0.3 . 1 . . . A 50 GLN CA . 18262 1 494 . 1 1 50 50 GLN CB C 13 28.203 0.3 . 1 . . . A 50 GLN CB . 18262 1 495 . 1 1 50 50 GLN CG C 13 34.235 0.3 . 1 . . . A 50 GLN CG . 18262 1 496 . 1 1 50 50 GLN N N 15 118.407 0.3 . 1 . . . A 50 GLN N . 18262 1 497 . 1 1 50 50 GLN NE2 N 15 111.987 0.3 . 1 . . . A 50 GLN NE2 . 18262 1 498 . 1 1 51 51 SER H H 1 8.394 0.020 . 1 . . . A 51 SER H . 18262 1 499 . 1 1 51 51 SER HA H 1 4.209 0.020 . 1 . . . A 51 SER HA . 18262 1 500 . 1 1 51 51 SER HB2 H 1 3.786 0.020 . 2 . . . A 51 SER HB2 . 18262 1 501 . 1 1 51 51 SER HB3 H 1 4.062 0.020 . 2 . . . A 51 SER HB3 . 18262 1 502 . 1 1 51 51 SER CA C 13 62.766 0.3 . 1 . . . A 51 SER CA . 18262 1 503 . 1 1 51 51 SER CB C 13 63.014 0.3 . 1 . . . A 51 SER CB . 18262 1 504 . 1 1 51 51 SER N N 15 117.680 0.3 . 1 . . . A 51 SER N . 18262 1 505 . 1 1 52 52 ILE H H 1 8.135 0.020 . 1 . . . A 52 ILE H . 18262 1 506 . 1 1 52 52 ILE HA H 1 3.563 0.020 . 1 . . . A 52 ILE HA . 18262 1 507 . 1 1 52 52 ILE HB H 1 1.895 0.020 . 1 . . . A 52 ILE HB . 18262 1 508 . 1 1 52 52 ILE HG12 H 1 1.040 0.020 . 2 . . . A 52 ILE HG12 . 18262 1 509 . 1 1 52 52 ILE HG13 H 1 1.578 0.020 . 2 . . . A 52 ILE HG13 . 18262 1 510 . 1 1 52 52 ILE HG21 H 1 0.843 0.020 . 1 . . . A 52 ILE HG21 . 18262 1 511 . 1 1 52 52 ILE HG22 H 1 0.843 0.020 . 1 . . . A 52 ILE HG22 . 18262 1 512 . 1 1 52 52 ILE HG23 H 1 0.843 0.020 . 1 . . . A 52 ILE HG23 . 18262 1 513 . 1 1 52 52 ILE HD11 H 1 0.565 0.020 . 1 . . . A 52 ILE HD11 . 18262 1 514 . 1 1 52 52 ILE HD12 H 1 0.565 0.020 . 1 . . . A 52 ILE HD12 . 18262 1 515 . 1 1 52 52 ILE HD13 H 1 0.565 0.020 . 1 . . . A 52 ILE HD13 . 18262 1 516 . 1 1 52 52 ILE CA C 13 64.881 0.3 . 1 . . . A 52 ILE CA . 18262 1 517 . 1 1 52 52 ILE CB C 13 37.871 0.3 . 1 . . . A 52 ILE CB . 18262 1 518 . 1 1 52 52 ILE CG1 C 13 29.675 0.3 . 1 . . . A 52 ILE CG1 . 18262 1 519 . 1 1 52 52 ILE CG2 C 13 17.532 0.3 . 1 . . . A 52 ILE CG2 . 18262 1 520 . 1 1 52 52 ILE CD1 C 13 14.451 0.3 . 1 . . . A 52 ILE CD1 . 18262 1 521 . 1 1 52 52 ILE N N 15 123.233 0.3 . 1 . . . A 52 ILE N . 18262 1 522 . 1 1 53 53 GLN H H 1 8.600 0.020 . 1 . . . A 53 GLN H . 18262 1 523 . 1 1 53 53 GLN HA H 1 3.925 0.020 . 1 . . . A 53 GLN HA . 18262 1 524 . 1 1 53 53 GLN HB2 H 1 2.062 0.020 . 2 . . . A 53 GLN HB2 . 18262 1 525 . 1 1 53 53 GLN HB3 H 1 2.331 0.020 . 2 . . . A 53 GLN HB3 . 18262 1 526 . 1 1 53 53 GLN HG2 H 1 2.382 0.020 . 2 . . . A 53 GLN HG2 . 18262 1 527 . 1 1 53 53 GLN HG3 H 1 2.621 0.020 . 2 . . . A 53 GLN HG3 . 18262 1 528 . 1 1 53 53 GLN HE21 H 1 7.283 0.020 . 1 . . . A 53 GLN HE21 . 18262 1 529 . 1 1 53 53 GLN HE22 H 1 6.851 0.020 . 1 . . . A 53 GLN HE22 . 18262 1 530 . 1 1 53 53 GLN CA C 13 59.571 0.3 . 1 . . . A 53 GLN CA . 18262 1 531 . 1 1 53 53 GLN CB C 13 27.933 0.3 . 1 . . . A 53 GLN CB . 18262 1 532 . 1 1 53 53 GLN CG C 13 34.253 0.3 . 1 . . . A 53 GLN CG . 18262 1 533 . 1 1 53 53 GLN N N 15 119.911 0.3 . 1 . . . A 53 GLN N . 18262 1 534 . 1 1 53 53 GLN NE2 N 15 110.754 0.3 . 1 . . . A 53 GLN NE2 . 18262 1 535 . 1 1 54 54 SER H H 1 8.304 0.020 . 1 . . . A 54 SER H . 18262 1 536 . 1 1 54 54 SER HA H 1 4.308 0.020 . 1 . . . A 54 SER HA . 18262 1 537 . 1 1 54 54 SER HB2 H 1 3.983 0.020 . 2 . . . A 54 SER HB2 . 18262 1 538 . 1 1 54 54 SER HB3 H 1 4.029 0.020 . 2 . . . A 54 SER HB3 . 18262 1 539 . 1 1 54 54 SER CA C 13 61.468 0.3 . 1 . . . A 54 SER CA . 18262 1 540 . 1 1 54 54 SER CB C 13 62.950 0.3 . 1 . . . A 54 SER CB . 18262 1 541 . 1 1 54 54 SER N N 15 115.414 0.3 . 1 . . . A 54 SER N . 18262 1 542 . 1 1 55 55 LEU H H 1 7.881 0.020 . 1 . . . A 55 LEU H . 18262 1 543 . 1 1 55 55 LEU HA H 1 4.065 0.020 . 1 . . . A 55 LEU HA . 18262 1 544 . 1 1 55 55 LEU HB2 H 1 1.473 0.020 . 2 . . . A 55 LEU HB2 . 18262 1 545 . 1 1 55 55 LEU HB3 H 1 1.813 0.020 . 2 . . . A 55 LEU HB3 . 18262 1 546 . 1 1 55 55 LEU HG H 1 1.802 0.020 . 1 . . . A 55 LEU HG . 18262 1 547 . 1 1 55 55 LEU HD11 H 1 0.820 0.020 . 2 . . . A 55 LEU HD11 . 18262 1 548 . 1 1 55 55 LEU HD12 H 1 0.820 0.020 . 2 . . . A 55 LEU HD12 . 18262 1 549 . 1 1 55 55 LEU HD13 H 1 0.820 0.020 . 2 . . . A 55 LEU HD13 . 18262 1 550 . 1 1 55 55 LEU HD21 H 1 0.841 0.020 . 2 . . . A 55 LEU HD21 . 18262 1 551 . 1 1 55 55 LEU HD22 H 1 0.841 0.020 . 2 . . . A 55 LEU HD22 . 18262 1 552 . 1 1 55 55 LEU HD23 H 1 0.841 0.020 . 2 . . . A 55 LEU HD23 . 18262 1 553 . 1 1 55 55 LEU CA C 13 57.713 0.3 . 1 . . . A 55 LEU CA . 18262 1 554 . 1 1 55 55 LEU CB C 13 42.353 0.3 . 1 . . . A 55 LEU CB . 18262 1 555 . 1 1 55 55 LEU CG C 13 26.837 0.3 . 1 . . . A 55 LEU CG . 18262 1 556 . 1 1 55 55 LEU CD1 C 13 25.966 0.3 . 1 . . . A 55 LEU CD1 . 18262 1 557 . 1 1 55 55 LEU CD2 C 13 23.874 0.3 . 1 . . . A 55 LEU CD2 . 18262 1 558 . 1 1 55 55 LEU N N 15 121.576 0.3 . 1 . . . A 55 LEU N . 18262 1 559 . 1 1 56 56 ALA H H 1 8.007 0.020 . 1 . . . A 56 ALA H . 18262 1 560 . 1 1 56 56 ALA HA H 1 4.232 0.020 . 1 . . . A 56 ALA HA . 18262 1 561 . 1 1 56 56 ALA HB1 H 1 1.514 0.020 . 1 . . . A 56 ALA HB1 . 18262 1 562 . 1 1 56 56 ALA HB2 H 1 1.514 0.020 . 1 . . . A 56 ALA HB2 . 18262 1 563 . 1 1 56 56 ALA HB3 H 1 1.514 0.020 . 1 . . . A 56 ALA HB3 . 18262 1 564 . 1 1 56 56 ALA CA C 13 54.401 0.3 . 1 . . . A 56 ALA CA . 18262 1 565 . 1 1 56 56 ALA CB C 13 18.262 0.3 . 1 . . . A 56 ALA CB . 18262 1 566 . 1 1 56 56 ALA N N 15 121.244 0.3 . 1 . . . A 56 ALA N . 18262 1 567 . 1 1 57 57 ALA H H 1 8.026 0.020 . 1 . . . A 57 ALA H . 18262 1 568 . 1 1 57 57 ALA HA H 1 4.213 0.020 . 1 . . . A 57 ALA HA . 18262 1 569 . 1 1 57 57 ALA HB1 H 1 1.559 0.020 . 1 . . . A 57 ALA HB1 . 18262 1 570 . 1 1 57 57 ALA HB2 H 1 1.559 0.020 . 1 . . . A 57 ALA HB2 . 18262 1 571 . 1 1 57 57 ALA HB3 H 1 1.559 0.020 . 1 . . . A 57 ALA HB3 . 18262 1 572 . 1 1 57 57 ALA CA C 13 54.516 0.3 . 1 . . . A 57 ALA CA . 18262 1 573 . 1 1 57 57 ALA CB C 13 18.540 0.3 . 1 . . . A 57 ALA CB . 18262 1 574 . 1 1 57 57 ALA N N 15 121.370 0.3 . 1 . . . A 57 ALA N . 18262 1 575 . 1 1 58 58 GLN H H 1 7.759 0.020 . 1 . . . A 58 GLN H . 18262 1 576 . 1 1 58 58 GLN HA H 1 4.344 0.020 . 1 . . . A 58 GLN HA . 18262 1 577 . 1 1 58 58 GLN HB2 H 1 2.047 0.020 . 2 . . . A 58 GLN HB2 . 18262 1 578 . 1 1 58 58 GLN HB3 H 1 2.271 0.020 . 2 . . . A 58 GLN HB3 . 18262 1 579 . 1 1 58 58 GLN HG2 H 1 2.434 0.020 . 2 . . . A 58 GLN HG2 . 18262 1 580 . 1 1 58 58 GLN HG3 H 1 2.582 0.020 . 2 . . . A 58 GLN HG3 . 18262 1 581 . 1 1 58 58 GLN HE21 H 1 7.348 0.020 . 1 . . . A 58 GLN HE21 . 18262 1 582 . 1 1 58 58 GLN HE22 H 1 6.824 0.020 . 1 . . . A 58 GLN HE22 . 18262 1 583 . 1 1 58 58 GLN CA C 13 56.027 0.3 . 1 . . . A 58 GLN CA . 18262 1 584 . 1 1 58 58 GLN CB C 13 29.687 0.3 . 1 . . . A 58 GLN CB . 18262 1 585 . 1 1 58 58 GLN CG C 13 34.263 0.3 . 1 . . . A 58 GLN CG . 18262 1 586 . 1 1 58 58 GLN N N 15 114.464 0.3 . 1 . . . A 58 GLN N . 18262 1 587 . 1 1 58 58 GLN NE2 N 15 111.671 0.3 . 1 . . . A 58 GLN NE2 . 18262 1 588 . 1 1 59 59 GLY H H 1 7.905 0.020 . 1 . . . A 59 GLY H . 18262 1 589 . 1 1 59 59 GLY HA2 H 1 3.959 0.020 . 2 . . . A 59 GLY HA2 . 18262 1 590 . 1 1 59 59 GLY HA3 H 1 4.134 0.020 . 2 . . . A 59 GLY HA3 . 18262 1 591 . 1 1 59 59 GLY CA C 13 46.136 0.3 . 1 . . . A 59 GLY CA . 18262 1 592 . 1 1 59 59 GLY N N 15 108.318 0.3 . 1 . . . A 59 GLY N . 18262 1 593 . 1 1 60 60 ARG H H 1 8.097 0.020 . 1 . . . A 60 ARG H . 18262 1 594 . 1 1 60 60 ARG HA H 1 4.526 0.020 . 1 . . . A 60 ARG HA . 18262 1 595 . 1 1 60 60 ARG HB2 H 1 1.652 0.020 . 2 . . . A 60 ARG HB2 . 18262 1 596 . 1 1 60 60 ARG HB3 H 1 2.003 0.020 . 2 . . . A 60 ARG HB3 . 18262 1 597 . 1 1 60 60 ARG HG2 H 1 1.595 0.020 . 2 . . . A 60 ARG HG2 . 18262 1 598 . 1 1 60 60 ARG HG3 H 1 1.644 0.020 . 2 . . . A 60 ARG HG3 . 18262 1 599 . 1 1 60 60 ARG HD2 H 1 3.217 0.020 . 1 . . . A 60 ARG HD2 . 18262 1 600 . 1 1 60 60 ARG HD3 H 1 3.217 0.020 . 1 . . . A 60 ARG HD3 . 18262 1 601 . 1 1 60 60 ARG CA C 13 55.728 0.3 . 1 . . . A 60 ARG CA . 18262 1 602 . 1 1 60 60 ARG CB C 13 31.690 0.3 . 1 . . . A 60 ARG CB . 18262 1 603 . 1 1 60 60 ARG CG C 13 27.434 0.3 . 1 . . . A 60 ARG CG . 18262 1 604 . 1 1 60 60 ARG CD C 13 43.625 0.3 . 1 . . . A 60 ARG CD . 18262 1 605 . 1 1 60 60 ARG N N 15 118.325 0.3 . 1 . . . A 60 ARG N . 18262 1 606 . 1 1 61 61 THR H H 1 8.038 0.020 . 1 . . . A 61 THR H . 18262 1 607 . 1 1 61 61 THR HA H 1 4.782 0.020 . 1 . . . A 61 THR HA . 18262 1 608 . 1 1 61 61 THR HB H 1 4.057 0.020 . 1 . . . A 61 THR HB . 18262 1 609 . 1 1 61 61 THR HG21 H 1 1.204 0.020 . 1 . . . A 61 THR HG21 . 18262 1 610 . 1 1 61 61 THR HG22 H 1 1.204 0.020 . 1 . . . A 61 THR HG22 . 18262 1 611 . 1 1 61 61 THR HG23 H 1 1.204 0.020 . 1 . . . A 61 THR HG23 . 18262 1 612 . 1 1 61 61 THR CA C 13 63.339 0.3 . 1 . . . A 61 THR CA . 18262 1 613 . 1 1 61 61 THR CB C 13 68.819 0.3 . 1 . . . A 61 THR CB . 18262 1 614 . 1 1 61 61 THR CG2 C 13 22.470 0.3 . 1 . . . A 61 THR CG2 . 18262 1 615 . 1 1 61 61 THR N N 15 116.640 0.3 . 1 . . . A 61 THR N . 18262 1 616 . 1 1 62 62 SER H H 1 7.792 0.020 . 1 . . . A 62 SER H . 18262 1 617 . 1 1 62 62 SER HA H 1 4.899 0.020 . 1 . . . A 62 SER HA . 18262 1 618 . 1 1 62 62 SER HB2 H 1 3.958 0.020 . 2 . . . A 62 SER HB2 . 18262 1 619 . 1 1 62 62 SER HB3 H 1 4.237 0.020 . 2 . . . A 62 SER HB3 . 18262 1 620 . 1 1 62 62 SER CA C 13 56.263 0.3 . 1 . . . A 62 SER CA . 18262 1 621 . 1 1 62 62 SER CB C 13 63.827 0.3 . 1 . . . A 62 SER CB . 18262 1 622 . 1 1 62 62 SER N N 15 119.882 0.3 . 1 . . . A 62 SER N . 18262 1 623 . 1 1 63 63 PRO HA H 1 4.299 0.020 . 1 . . . A 63 PRO HA . 18262 1 624 . 1 1 63 63 PRO HB2 H 1 2.022 0.020 . 2 . . . A 63 PRO HB2 . 18262 1 625 . 1 1 63 63 PRO HB3 H 1 2.450 0.020 . 2 . . . A 63 PRO HB3 . 18262 1 626 . 1 1 63 63 PRO HG2 H 1 2.072 0.020 . 2 . . . A 63 PRO HG2 . 18262 1 627 . 1 1 63 63 PRO HG3 H 1 2.220 0.020 . 2 . . . A 63 PRO HG3 . 18262 1 628 . 1 1 63 63 PRO HD2 H 1 3.965 0.020 . 1 . . . A 63 PRO HD2 . 18262 1 629 . 1 1 63 63 PRO HD3 H 1 3.965 0.020 . 1 . . . A 63 PRO HD3 . 18262 1 630 . 1 1 63 63 PRO CA C 13 65.816 0.3 . 1 . . . A 63 PRO CA . 18262 1 631 . 1 1 63 63 PRO CB C 13 32.217 0.3 . 1 . . . A 63 PRO CB . 18262 1 632 . 1 1 63 63 PRO CG C 13 27.993 0.3 . 1 . . . A 63 PRO CG . 18262 1 633 . 1 1 63 63 PRO CD C 13 50.827 0.3 . 1 . . . A 63 PRO CD . 18262 1 634 . 1 1 64 64 ASN HA H 1 4.547 0.020 . 1 . . . A 64 ASN HA . 18262 1 635 . 1 1 64 64 ASN HB2 H 1 2.830 0.020 . 1 . . . A 64 ASN HB2 . 18262 1 636 . 1 1 64 64 ASN HB3 H 1 2.830 0.020 . 1 . . . A 64 ASN HB3 . 18262 1 637 . 1 1 64 64 ASN CA C 13 56.195 0.3 . 1 . . . A 64 ASN CA . 18262 1 638 . 1 1 64 64 ASN CB C 13 38.070 0.3 . 1 . . . A 64 ASN CB . 18262 1 639 . 1 1 65 65 LYS H H 1 7.762 0.020 . 1 . . . A 65 LYS H . 18262 1 640 . 1 1 65 65 LYS HA H 1 4.182 0.020 . 1 . . . A 65 LYS HA . 18262 1 641 . 1 1 65 65 LYS HB2 H 1 1.871 0.020 . 2 . . . A 65 LYS HB2 . 18262 1 642 . 1 1 65 65 LYS HB3 H 1 1.971 0.020 . 2 . . . A 65 LYS HB3 . 18262 1 643 . 1 1 65 65 LYS HG2 H 1 1.492 0.020 . 2 . . . A 65 LYS HG2 . 18262 1 644 . 1 1 65 65 LYS HG3 H 1 1.554 0.020 . 2 . . . A 65 LYS HG3 . 18262 1 645 . 1 1 65 65 LYS HD2 H 1 1.739 0.020 . 1 . . . A 65 LYS HD2 . 18262 1 646 . 1 1 65 65 LYS HD3 H 1 1.739 0.020 . 1 . . . A 65 LYS HD3 . 18262 1 647 . 1 1 65 65 LYS HE2 H 1 2.978 0.020 . 1 . . . A 65 LYS HE2 . 18262 1 648 . 1 1 65 65 LYS HE3 H 1 2.978 0.020 . 1 . . . A 65 LYS HE3 . 18262 1 649 . 1 1 65 65 LYS CA C 13 58.552 0.3 . 1 . . . A 65 LYS CA . 18262 1 650 . 1 1 65 65 LYS CB C 13 32.707 0.3 . 1 . . . A 65 LYS CB . 18262 1 651 . 1 1 65 65 LYS CG C 13 25.622 0.3 . 1 . . . A 65 LYS CG . 18262 1 652 . 1 1 65 65 LYS CD C 13 28.937 0.3 . 1 . . . A 65 LYS CD . 18262 1 653 . 1 1 65 65 LYS CE C 13 42.468 0.3 . 1 . . . A 65 LYS CE . 18262 1 654 . 1 1 65 65 LYS N N 15 121.063 0.3 . 1 . . . A 65 LYS N . 18262 1 655 . 1 1 66 66 LEU H H 1 7.934 0.020 . 1 . . . A 66 LEU H . 18262 1 656 . 1 1 66 66 LEU HA H 1 4.063 0.020 . 1 . . . A 66 LEU HA . 18262 1 657 . 1 1 66 66 LEU HB2 H 1 1.605 0.020 . 2 . . . A 66 LEU HB2 . 18262 1 658 . 1 1 66 66 LEU HB3 H 1 1.997 0.020 . 2 . . . A 66 LEU HB3 . 18262 1 659 . 1 1 66 66 LEU HG H 1 1.779 0.020 . 1 . . . A 66 LEU HG . 18262 1 660 . 1 1 66 66 LEU HD11 H 1 0.862 0.020 . 2 . . . A 66 LEU HD11 . 18262 1 661 . 1 1 66 66 LEU HD12 H 1 0.862 0.020 . 2 . . . A 66 LEU HD12 . 18262 1 662 . 1 1 66 66 LEU HD13 H 1 0.862 0.020 . 2 . . . A 66 LEU HD13 . 18262 1 663 . 1 1 66 66 LEU HD21 H 1 0.873 0.020 . 2 . . . A 66 LEU HD21 . 18262 1 664 . 1 1 66 66 LEU HD22 H 1 0.873 0.020 . 2 . . . A 66 LEU HD22 . 18262 1 665 . 1 1 66 66 LEU HD23 H 1 0.873 0.020 . 2 . . . A 66 LEU HD23 . 18262 1 666 . 1 1 66 66 LEU CA C 13 57.998 0.3 . 1 . . . A 66 LEU CA . 18262 1 667 . 1 1 66 66 LEU CB C 13 41.461 0.3 . 1 . . . A 66 LEU CB . 18262 1 668 . 1 1 66 66 LEU CG C 13 27.041 0.3 . 1 . . . A 66 LEU CG . 18262 1 669 . 1 1 66 66 LEU CD1 C 13 22.997 0.3 . 1 . . . A 66 LEU CD1 . 18262 1 670 . 1 1 66 66 LEU CD2 C 13 25.744 0.3 . 1 . . . A 66 LEU CD2 . 18262 1 671 . 1 1 66 66 LEU N N 15 119.082 0.3 . 1 . . . A 66 LEU N . 18262 1 672 . 1 1 67 67 GLN H H 1 8.201 0.020 . 1 . . . A 67 GLN H . 18262 1 673 . 1 1 67 67 GLN HA H 1 4.207 0.020 . 1 . . . A 67 GLN HA . 18262 1 674 . 1 1 67 67 GLN HB2 H 1 2.209 0.020 . 1 . . . A 67 GLN HB2 . 18262 1 675 . 1 1 67 67 GLN HB3 H 1 2.209 0.020 . 1 . . . A 67 GLN HB3 . 18262 1 676 . 1 1 67 67 GLN HG2 H 1 2.500 0.020 . 1 . . . A 67 GLN HG2 . 18262 1 677 . 1 1 67 67 GLN HG3 H 1 2.500 0.020 . 1 . . . A 67 GLN HG3 . 18262 1 678 . 1 1 67 67 GLN HE21 H 1 7.487 0.020 . 1 . . . A 67 GLN HE21 . 18262 1 679 . 1 1 67 67 GLN HE22 H 1 7.016 0.020 . 1 . . . A 67 GLN HE22 . 18262 1 680 . 1 1 67 67 GLN CA C 13 59.087 0.3 . 1 . . . A 67 GLN CA . 18262 1 681 . 1 1 67 67 GLN CB C 13 28.215 0.3 . 1 . . . A 67 GLN CB . 18262 1 682 . 1 1 67 67 GLN CG C 13 33.827 0.3 . 1 . . . A 67 GLN CG . 18262 1 683 . 1 1 67 67 GLN N N 15 119.220 0.3 . 1 . . . A 67 GLN N . 18262 1 684 . 1 1 67 67 GLN NE2 N 15 111.709 0.3 . 1 . . . A 67 GLN NE2 . 18262 1 685 . 1 1 68 68 ALA H H 1 7.739 0.020 . 1 . . . A 68 ALA H . 18262 1 686 . 1 1 68 68 ALA HA H 1 4.179 0.020 . 1 . . . A 68 ALA HA . 18262 1 687 . 1 1 68 68 ALA HB1 H 1 1.519 0.020 . 1 . . . A 68 ALA HB1 . 18262 1 688 . 1 1 68 68 ALA HB2 H 1 1.519 0.020 . 1 . . . A 68 ALA HB2 . 18262 1 689 . 1 1 68 68 ALA HB3 H 1 1.519 0.020 . 1 . . . A 68 ALA HB3 . 18262 1 690 . 1 1 68 68 ALA CA C 13 55.275 0.3 . 1 . . . A 68 ALA CA . 18262 1 691 . 1 1 68 68 ALA CB C 13 18.105 0.3 . 1 . . . A 68 ALA CB . 18262 1 692 . 1 1 68 68 ALA N N 15 121.749 0.3 . 1 . . . A 68 ALA N . 18262 1 693 . 1 1 69 69 LEU H H 1 7.888 0.020 . 1 . . . A 69 LEU H . 18262 1 694 . 1 1 69 69 LEU HA H 1 3.995 0.020 . 1 . . . A 69 LEU HA . 18262 1 695 . 1 1 69 69 LEU HB2 H 1 0.860 0.020 . 2 . . . A 69 LEU HB2 . 18262 1 696 . 1 1 69 69 LEU HB3 H 1 1.745 0.020 . 2 . . . A 69 LEU HB3 . 18262 1 697 . 1 1 69 69 LEU HG H 1 1.643 0.020 . 1 . . . A 69 LEU HG . 18262 1 698 . 1 1 69 69 LEU HD11 H 1 0.605 0.020 . 2 . . . A 69 LEU HD11 . 18262 1 699 . 1 1 69 69 LEU HD12 H 1 0.605 0.020 . 2 . . . A 69 LEU HD12 . 18262 1 700 . 1 1 69 69 LEU HD13 H 1 0.605 0.020 . 2 . . . A 69 LEU HD13 . 18262 1 701 . 1 1 69 69 LEU HD21 H 1 0.626 0.020 . 2 . . . A 69 LEU HD21 . 18262 1 702 . 1 1 69 69 LEU HD22 H 1 0.626 0.020 . 2 . . . A 69 LEU HD22 . 18262 1 703 . 1 1 69 69 LEU HD23 H 1 0.626 0.020 . 2 . . . A 69 LEU HD23 . 18262 1 704 . 1 1 69 69 LEU CA C 13 57.974 0.3 . 1 . . . A 69 LEU CA . 18262 1 705 . 1 1 69 69 LEU CB C 13 41.338 0.3 . 1 . . . A 69 LEU CB . 18262 1 706 . 1 1 69 69 LEU CG C 13 26.936 0.3 . 1 . . . A 69 LEU CG . 18262 1 707 . 1 1 69 69 LEU CD1 C 13 23.162 0.3 . 1 . . . A 69 LEU CD1 . 18262 1 708 . 1 1 69 69 LEU CD2 C 13 26.072 0.3 . 1 . . . A 69 LEU CD2 . 18262 1 709 . 1 1 69 69 LEU N N 15 120.591 0.3 . 1 . . . A 69 LEU N . 18262 1 710 . 1 1 70 70 ASN H H 1 8.356 0.020 . 1 . . . A 70 ASN H . 18262 1 711 . 1 1 70 70 ASN HA H 1 4.531 0.020 . 1 . . . A 70 ASN HA . 18262 1 712 . 1 1 70 70 ASN HB2 H 1 2.829 0.020 . 2 . . . A 70 ASN HB2 . 18262 1 713 . 1 1 70 70 ASN HB3 H 1 3.131 0.020 . 2 . . . A 70 ASN HB3 . 18262 1 714 . 1 1 70 70 ASN HD21 H 1 7.741 0.020 . 1 . . . A 70 ASN HD21 . 18262 1 715 . 1 1 70 70 ASN HD22 H 1 6.427 0.020 . 1 . . . A 70 ASN HD22 . 18262 1 716 . 1 1 70 70 ASN CA C 13 57.020 0.3 . 1 . . . A 70 ASN CA . 18262 1 717 . 1 1 70 70 ASN CB C 13 38.848 0.3 . 1 . . . A 70 ASN CB . 18262 1 718 . 1 1 70 70 ASN N N 15 119.586 0.3 . 1 . . . A 70 ASN N . 18262 1 719 . 1 1 70 70 ASN ND2 N 15 109.099 0.3 . 1 . . . A 70 ASN ND2 . 18262 1 720 . 1 1 71 71 MET H H 1 8.207 0.020 . 1 . . . A 71 MET H . 18262 1 721 . 1 1 71 71 MET HA H 1 4.271 0.020 . 1 . . . A 71 MET HA . 18262 1 722 . 1 1 71 71 MET HB2 H 1 2.268 0.020 . 2 . . . A 71 MET HB2 . 18262 1 723 . 1 1 71 71 MET HB3 H 1 2.349 0.020 . 2 . . . A 71 MET HB3 . 18262 1 724 . 1 1 71 71 MET HG2 H 1 2.743 0.020 . 2 . . . A 71 MET HG2 . 18262 1 725 . 1 1 71 71 MET HG3 H 1 2.864 0.020 . 2 . . . A 71 MET HG3 . 18262 1 726 . 1 1 71 71 MET HE1 H 1 2.154 0.020 . 1 . . . A 71 MET HE1 . 18262 1 727 . 1 1 71 71 MET HE2 H 1 2.154 0.020 . 1 . . . A 71 MET HE2 . 18262 1 728 . 1 1 71 71 MET HE3 H 1 2.154 0.020 . 1 . . . A 71 MET HE3 . 18262 1 729 . 1 1 71 71 MET CA C 13 59.088 0.3 . 1 . . . A 71 MET CA . 18262 1 730 . 1 1 71 71 MET CB C 13 32.746 0.3 . 1 . . . A 71 MET CB . 18262 1 731 . 1 1 71 71 MET CG C 13 32.850 0.3 . 1 . . . A 71 MET CG . 18262 1 732 . 1 1 71 71 MET CE C 13 17.519 0.3 . 1 . . . A 71 MET CE . 18262 1 733 . 1 1 71 71 MET N N 15 117.354 0.3 . 1 . . . A 71 MET N . 18262 1 734 . 1 1 72 72 ALA H H 1 8.075 0.020 . 1 . . . A 72 ALA H . 18262 1 735 . 1 1 72 72 ALA HA H 1 4.074 0.020 . 1 . . . A 72 ALA HA . 18262 1 736 . 1 1 72 72 ALA HB1 H 1 1.483 0.020 . 1 . . . A 72 ALA HB1 . 18262 1 737 . 1 1 72 72 ALA HB2 H 1 1.483 0.020 . 1 . . . A 72 ALA HB2 . 18262 1 738 . 1 1 72 72 ALA HB3 H 1 1.483 0.020 . 1 . . . A 72 ALA HB3 . 18262 1 739 . 1 1 72 72 ALA CA C 13 55.127 0.3 . 1 . . . A 72 ALA CA . 18262 1 740 . 1 1 72 72 ALA CB C 13 18.157 0.3 . 1 . . . A 72 ALA CB . 18262 1 741 . 1 1 72 72 ALA N N 15 123.354 0.3 . 1 . . . A 72 ALA N . 18262 1 742 . 1 1 73 73 PHE H H 1 8.546 0.020 . 1 . . . A 73 PHE H . 18262 1 743 . 1 1 73 73 PHE HA H 1 4.518 0.020 . 1 . . . A 73 PHE HA . 18262 1 744 . 1 1 73 73 PHE HB2 H 1 3.368 0.020 . 2 . . . A 73 PHE HB2 . 18262 1 745 . 1 1 73 73 PHE HB3 H 1 3.622 0.020 . 2 . . . A 73 PHE HB3 . 18262 1 746 . 1 1 73 73 PHE HD1 H 1 7.310 0.020 . 1 . . . A 73 PHE HD1 . 18262 1 747 . 1 1 73 73 PHE HD2 H 1 7.310 0.020 . 1 . . . A 73 PHE HD2 . 18262 1 748 . 1 1 73 73 PHE HE1 H 1 7.181 0.020 . 1 . . . A 73 PHE HE1 . 18262 1 749 . 1 1 73 73 PHE HE2 H 1 7.181 0.020 . 1 . . . A 73 PHE HE2 . 18262 1 750 . 1 1 73 73 PHE HZ H 1 6.868 0.020 . 1 . . . A 73 PHE HZ . 18262 1 751 . 1 1 73 73 PHE CA C 13 59.432 0.3 . 1 . . . A 73 PHE CA . 18262 1 752 . 1 1 73 73 PHE CB C 13 39.597 0.3 . 1 . . . A 73 PHE CB . 18262 1 753 . 1 1 73 73 PHE CD1 C 13 131.275 0.3 . 1 . . . A 73 PHE CD1 . 18262 1 754 . 1 1 73 73 PHE CD2 C 13 131.275 0.3 . 1 . . . A 73 PHE CD2 . 18262 1 755 . 1 1 73 73 PHE CE1 C 13 131.307 0.3 . 1 . . . A 73 PHE CE1 . 18262 1 756 . 1 1 73 73 PHE CE2 C 13 131.307 0.3 . 1 . . . A 73 PHE CE2 . 18262 1 757 . 1 1 73 73 PHE CZ C 13 129.781 0.3 . 1 . . . A 73 PHE CZ . 18262 1 758 . 1 1 73 73 PHE N N 15 120.968 0.3 . 1 . . . A 73 PHE N . 18262 1 759 . 1 1 74 74 ALA H H 1 8.593 0.020 . 1 . . . A 74 ALA H . 18262 1 760 . 1 1 74 74 ALA HA H 1 3.741 0.020 . 1 . . . A 74 ALA HA . 18262 1 761 . 1 1 74 74 ALA HB1 H 1 1.634 0.020 . 1 . . . A 74 ALA HB1 . 18262 1 762 . 1 1 74 74 ALA HB2 H 1 1.634 0.020 . 1 . . . A 74 ALA HB2 . 18262 1 763 . 1 1 74 74 ALA HB3 H 1 1.634 0.020 . 1 . . . A 74 ALA HB3 . 18262 1 764 . 1 1 74 74 ALA CA C 13 55.394 0.3 . 1 . . . A 74 ALA CA . 18262 1 765 . 1 1 74 74 ALA CB C 13 20.409 0.3 . 1 . . . A 74 ALA CB . 18262 1 766 . 1 1 74 74 ALA N N 15 119.865 0.3 . 1 . . . A 74 ALA N . 18262 1 767 . 1 1 75 75 SER H H 1 8.501 0.020 . 1 . . . A 75 SER H . 18262 1 768 . 1 1 75 75 SER HA H 1 3.581 0.020 . 1 . . . A 75 SER HA . 18262 1 769 . 1 1 75 75 SER HB2 H 1 3.125 0.020 . 2 . . . A 75 SER HB2 . 18262 1 770 . 1 1 75 75 SER HB3 H 1 3.296 0.020 . 2 . . . A 75 SER HB3 . 18262 1 771 . 1 1 75 75 SER CA C 13 61.879 0.3 . 1 . . . A 75 SER CA . 18262 1 772 . 1 1 75 75 SER CB C 13 62.010 0.3 . 1 . . . A 75 SER CB . 18262 1 773 . 1 1 75 75 SER N N 15 112.870 0.3 . 1 . . . A 75 SER N . 18262 1 774 . 1 1 76 76 SER H H 1 8.152 0.020 . 1 . . . A 76 SER H . 18262 1 775 . 1 1 76 76 SER HA H 1 4.301 0.020 . 1 . . . A 76 SER HA . 18262 1 776 . 1 1 76 76 SER HB2 H 1 3.888 0.020 . 2 . . . A 76 SER HB2 . 18262 1 777 . 1 1 76 76 SER HB3 H 1 4.045 0.020 . 2 . . . A 76 SER HB3 . 18262 1 778 . 1 1 76 76 SER CA C 13 62.748 0.3 . 1 . . . A 76 SER CA . 18262 1 779 . 1 1 76 76 SER CB C 13 63.013 0.3 . 1 . . . A 76 SER CB . 18262 1 780 . 1 1 76 76 SER N N 15 118.492 0.3 . 1 . . . A 76 SER N . 18262 1 781 . 1 1 77 77 MET H H 1 8.130 0.020 . 1 . . . A 77 MET H . 18262 1 782 . 1 1 77 77 MET HA H 1 3.999 0.020 . 1 . . . A 77 MET HA . 18262 1 783 . 1 1 77 77 MET HB2 H 1 1.689 0.020 . 2 . . . A 77 MET HB2 . 18262 1 784 . 1 1 77 77 MET HB3 H 1 2.195 0.020 . 2 . . . A 77 MET HB3 . 18262 1 785 . 1 1 77 77 MET HG2 H 1 2.088 0.020 . 2 . . . A 77 MET HG2 . 18262 1 786 . 1 1 77 77 MET HG3 H 1 2.333 0.020 . 2 . . . A 77 MET HG3 . 18262 1 787 . 1 1 77 77 MET HE1 H 1 1.228 0.020 . 1 . . . A 77 MET HE1 . 18262 1 788 . 1 1 77 77 MET HE2 H 1 1.228 0.020 . 1 . . . A 77 MET HE2 . 18262 1 789 . 1 1 77 77 MET HE3 H 1 1.228 0.020 . 1 . . . A 77 MET HE3 . 18262 1 790 . 1 1 77 77 MET CA C 13 60.024 0.3 . 1 . . . A 77 MET CA . 18262 1 791 . 1 1 77 77 MET CB C 13 34.657 0.3 . 1 . . . A 77 MET CB . 18262 1 792 . 1 1 77 77 MET CG C 13 32.278 0.3 . 1 . . . A 77 MET CG . 18262 1 793 . 1 1 77 77 MET CE C 13 16.346 0.3 . 1 . . . A 77 MET CE . 18262 1 794 . 1 1 77 77 MET N N 15 120.358 0.3 . 1 . . . A 77 MET N . 18262 1 795 . 1 1 78 78 ALA H H 1 8.534 0.020 . 1 . . . A 78 ALA H . 18262 1 796 . 1 1 78 78 ALA HA H 1 3.926 0.020 . 1 . . . A 78 ALA HA . 18262 1 797 . 1 1 78 78 ALA HB1 H 1 1.702 0.020 . 1 . . . A 78 ALA HB1 . 18262 1 798 . 1 1 78 78 ALA HB2 H 1 1.702 0.020 . 1 . . . A 78 ALA HB2 . 18262 1 799 . 1 1 78 78 ALA HB3 H 1 1.702 0.020 . 1 . . . A 78 ALA HB3 . 18262 1 800 . 1 1 78 78 ALA CA C 13 55.596 0.3 . 1 . . . A 78 ALA CA . 18262 1 801 . 1 1 78 78 ALA CB C 13 20.399 0.3 . 1 . . . A 78 ALA CB . 18262 1 802 . 1 1 78 78 ALA N N 15 121.547 0.3 . 1 . . . A 78 ALA N . 18262 1 803 . 1 1 79 79 GLU H H 1 7.557 0.020 . 1 . . . A 79 GLU H . 18262 1 804 . 1 1 79 79 GLU HA H 1 3.980 0.020 . 1 . . . A 79 GLU HA . 18262 1 805 . 1 1 79 79 GLU HB2 H 1 2.115 0.020 . 1 . . . A 79 GLU HB2 . 18262 1 806 . 1 1 79 79 GLU HB3 H 1 2.115 0.020 . 1 . . . A 79 GLU HB3 . 18262 1 807 . 1 1 79 79 GLU HG2 H 1 2.231 0.020 . 2 . . . A 79 GLU HG2 . 18262 1 808 . 1 1 79 79 GLU HG3 H 1 2.445 0.020 . 2 . . . A 79 GLU HG3 . 18262 1 809 . 1 1 79 79 GLU CA C 13 59.402 0.3 . 1 . . . A 79 GLU CA . 18262 1 810 . 1 1 79 79 GLU CB C 13 29.823 0.3 . 1 . . . A 79 GLU CB . 18262 1 811 . 1 1 79 79 GLU CG C 13 36.465 0.3 . 1 . . . A 79 GLU CG . 18262 1 812 . 1 1 79 79 GLU N N 15 116.654 0.3 . 1 . . . A 79 GLU N . 18262 1 813 . 1 1 80 80 ILE H H 1 7.239 0.020 . 1 . . . A 80 ILE H . 18262 1 814 . 1 1 80 80 ILE HA H 1 3.958 0.020 . 1 . . . A 80 ILE HA . 18262 1 815 . 1 1 80 80 ILE HB H 1 2.074 0.020 . 1 . . . A 80 ILE HB . 18262 1 816 . 1 1 80 80 ILE HG12 H 1 1.381 0.020 . 2 . . . A 80 ILE HG12 . 18262 1 817 . 1 1 80 80 ILE HG13 H 1 1.720 0.020 . 2 . . . A 80 ILE HG13 . 18262 1 818 . 1 1 80 80 ILE HG21 H 1 1.102 0.020 . 1 . . . A 80 ILE HG21 . 18262 1 819 . 1 1 80 80 ILE HG22 H 1 1.102 0.020 . 1 . . . A 80 ILE HG22 . 18262 1 820 . 1 1 80 80 ILE HG23 H 1 1.102 0.020 . 1 . . . A 80 ILE HG23 . 18262 1 821 . 1 1 80 80 ILE HD11 H 1 0.872 0.020 . 1 . . . A 80 ILE HD11 . 18262 1 822 . 1 1 80 80 ILE HD12 H 1 0.872 0.020 . 1 . . . A 80 ILE HD12 . 18262 1 823 . 1 1 80 80 ILE HD13 H 1 0.872 0.020 . 1 . . . A 80 ILE HD13 . 18262 1 824 . 1 1 80 80 ILE CA C 13 63.785 0.3 . 1 . . . A 80 ILE CA . 18262 1 825 . 1 1 80 80 ILE CB C 13 38.307 0.3 . 1 . . . A 80 ILE CB . 18262 1 826 . 1 1 80 80 ILE CG1 C 13 28.758 0.3 . 1 . . . A 80 ILE CG1 . 18262 1 827 . 1 1 80 80 ILE CG2 C 13 18.062 0.3 . 1 . . . A 80 ILE CG2 . 18262 1 828 . 1 1 80 80 ILE CD1 C 13 14.050 0.3 . 1 . . . A 80 ILE CD1 . 18262 1 829 . 1 1 80 80 ILE N N 15 118.293 0.3 . 1 . . . A 80 ILE N . 18262 1 830 . 1 1 81 81 ALA H H 1 8.595 0.020 . 1 . . . A 81 ALA H . 18262 1 831 . 1 1 81 81 ALA HA H 1 3.960 0.020 . 1 . . . A 81 ALA HA . 18262 1 832 . 1 1 81 81 ALA HB1 H 1 1.342 0.020 . 1 . . . A 81 ALA HB1 . 18262 1 833 . 1 1 81 81 ALA HB2 H 1 1.342 0.020 . 1 . . . A 81 ALA HB2 . 18262 1 834 . 1 1 81 81 ALA HB3 H 1 1.342 0.020 . 1 . . . A 81 ALA HB3 . 18262 1 835 . 1 1 81 81 ALA CA C 13 54.738 0.3 . 1 . . . A 81 ALA CA . 18262 1 836 . 1 1 81 81 ALA CB C 13 17.957 0.3 . 1 . . . A 81 ALA CB . 18262 1 837 . 1 1 81 81 ALA N N 15 121.511 0.3 . 1 . . . A 81 ALA N . 18262 1 838 . 1 1 82 82 ALA H H 1 8.001 0.020 . 1 . . . A 82 ALA H . 18262 1 839 . 1 1 82 82 ALA HA H 1 4.288 0.020 . 1 . . . A 82 ALA HA . 18262 1 840 . 1 1 82 82 ALA HB1 H 1 1.531 0.020 . 1 . . . A 82 ALA HB1 . 18262 1 841 . 1 1 82 82 ALA HB2 H 1 1.531 0.020 . 1 . . . A 82 ALA HB2 . 18262 1 842 . 1 1 82 82 ALA HB3 H 1 1.531 0.020 . 1 . . . A 82 ALA HB3 . 18262 1 843 . 1 1 82 82 ALA CA C 13 52.601 0.3 . 1 . . . A 82 ALA CA . 18262 1 844 . 1 1 82 82 ALA CB C 13 19.394 0.3 . 1 . . . A 82 ALA CB . 18262 1 845 . 1 1 82 82 ALA N N 15 116.183 0.3 . 1 . . . A 82 ALA N . 18262 1 846 . 1 1 83 83 SER H H 1 7.391 0.020 . 1 . . . A 83 SER H . 18262 1 847 . 1 1 83 83 SER HA H 1 4.319 0.020 . 1 . . . A 83 SER HA . 18262 1 848 . 1 1 83 83 SER HB2 H 1 4.035 0.020 . 2 . . . A 83 SER HB2 . 18262 1 849 . 1 1 83 83 SER HB3 H 1 4.141 0.020 . 2 . . . A 83 SER HB3 . 18262 1 850 . 1 1 83 83 SER CA C 13 59.243 0.3 . 1 . . . A 83 SER CA . 18262 1 851 . 1 1 83 83 SER CB C 13 63.971 0.3 . 1 . . . A 83 SER CB . 18262 1 852 . 1 1 83 83 SER N N 15 113.212 0.3 . 1 . . . A 83 SER N . 18262 1 853 . 1 1 84 84 GLU H H 1 8.421 0.020 . 1 . . . A 84 GLU H . 18262 1 854 . 1 1 84 84 GLU HA H 1 4.431 0.020 . 1 . . . A 84 GLU HA . 18262 1 855 . 1 1 84 84 GLU HB2 H 1 1.971 0.020 . 2 . . . A 84 GLU HB2 . 18262 1 856 . 1 1 84 84 GLU HB3 H 1 2.183 0.020 . 2 . . . A 84 GLU HB3 . 18262 1 857 . 1 1 84 84 GLU HG2 H 1 2.304 0.020 . 1 . . . A 84 GLU HG2 . 18262 1 858 . 1 1 84 84 GLU HG3 H 1 2.304 0.020 . 1 . . . A 84 GLU HG3 . 18262 1 859 . 1 1 84 84 GLU CA C 13 56.656 0.3 . 1 . . . A 84 GLU CA . 18262 1 860 . 1 1 84 84 GLU CB C 13 30.576 0.3 . 1 . . . A 84 GLU CB . 18262 1 861 . 1 1 84 84 GLU CG C 13 36.568 0.3 . 1 . . . A 84 GLU CG . 18262 1 862 . 1 1 84 84 GLU N N 15 123.385 0.3 . 1 . . . A 84 GLU N . 18262 1 863 . 1 1 85 85 GLU H H 1 8.407 0.020 . 1 . . . A 85 GLU H . 18262 1 864 . 1 1 85 85 GLU HA H 1 4.274 0.020 . 1 . . . A 85 GLU HA . 18262 1 865 . 1 1 85 85 GLU HB2 H 1 1.940 0.020 . 2 . . . A 85 GLU HB2 . 18262 1 866 . 1 1 85 85 GLU HB3 H 1 2.051 0.020 . 2 . . . A 85 GLU HB3 . 18262 1 867 . 1 1 85 85 GLU HG2 H 1 2.249 0.020 . 2 . . . A 85 GLU HG2 . 18262 1 868 . 1 1 85 85 GLU HG3 H 1 2.291 0.020 . 2 . . . A 85 GLU HG3 . 18262 1 869 . 1 1 85 85 GLU CA C 13 57.127 0.3 . 1 . . . A 85 GLU CA . 18262 1 870 . 1 1 85 85 GLU CB C 13 30.191 0.3 . 1 . . . A 85 GLU CB . 18262 1 871 . 1 1 85 85 GLU CG C 13 36.457 0.3 . 1 . . . A 85 GLU CG . 18262 1 872 . 1 1 85 85 GLU N N 15 121.674 0.3 . 1 . . . A 85 GLU N . 18262 1 873 . 1 1 86 86 GLY H H 1 8.564 0.020 . 1 . . . A 86 GLY H . 18262 1 874 . 1 1 86 86 GLY HA2 H 1 3.778 0.020 . 2 . . . A 86 GLY HA2 . 18262 1 875 . 1 1 86 86 GLY HA3 H 1 4.140 0.020 . 2 . . . A 86 GLY HA3 . 18262 1 876 . 1 1 86 86 GLY CA C 13 45.724 0.3 . 1 . . . A 86 GLY CA . 18262 1 877 . 1 1 86 86 GLY N N 15 110.617 0.3 . 1 . . . A 86 GLY N . 18262 1 878 . 1 1 87 87 GLY H H 1 8.257 0.020 . 1 . . . A 87 GLY H . 18262 1 879 . 1 1 87 87 GLY HA2 H 1 3.928 0.020 . 1 . . . A 87 GLY HA2 . 18262 1 880 . 1 1 87 87 GLY HA3 H 1 3.928 0.020 . 1 . . . A 87 GLY HA3 . 18262 1 881 . 1 1 87 87 GLY CA C 13 45.466 0.3 . 1 . . . A 87 GLY CA . 18262 1 882 . 1 1 87 87 GLY N N 15 108.562 0.3 . 1 . . . A 87 GLY N . 18262 1 883 . 1 1 88 88 GLY H H 1 8.100 0.020 . 1 . . . A 88 GLY H . 18262 1 884 . 1 1 88 88 GLY HA2 H 1 3.868 0.020 . 2 . . . A 88 GLY HA2 . 18262 1 885 . 1 1 88 88 GLY HA3 H 1 4.082 0.020 . 2 . . . A 88 GLY HA3 . 18262 1 886 . 1 1 88 88 GLY CA C 13 44.884 0.3 . 1 . . . A 88 GLY CA . 18262 1 887 . 1 1 88 88 GLY N N 15 107.890 0.3 . 1 . . . A 88 GLY N . 18262 1 888 . 1 1 89 89 SER H H 1 8.474 0.020 . 1 . . . A 89 SER H . 18262 1 889 . 1 1 89 89 SER HA H 1 4.594 0.020 . 1 . . . A 89 SER HA . 18262 1 890 . 1 1 89 89 SER HB2 H 1 3.992 0.020 . 2 . . . A 89 SER HB2 . 18262 1 891 . 1 1 89 89 SER HB3 H 1 4.234 0.020 . 2 . . . A 89 SER HB3 . 18262 1 892 . 1 1 89 89 SER CA C 13 57.382 0.3 . 1 . . . A 89 SER CA . 18262 1 893 . 1 1 89 89 SER CB C 13 65.271 0.3 . 1 . . . A 89 SER CB . 18262 1 894 . 1 1 89 89 SER N N 15 115.889 0.3 . 1 . . . A 89 SER N . 18262 1 895 . 1 1 90 90 LEU H H 1 8.867 0.020 . 1 . . . A 90 LEU H . 18262 1 896 . 1 1 90 90 LEU HA H 1 4.124 0.020 . 1 . . . A 90 LEU HA . 18262 1 897 . 1 1 90 90 LEU HB2 H 1 1.687 0.020 . 2 . . . A 90 LEU HB2 . 18262 1 898 . 1 1 90 90 LEU HB3 H 1 1.827 0.020 . 2 . . . A 90 LEU HB3 . 18262 1 899 . 1 1 90 90 LEU HG H 1 1.649 0.020 . 1 . . . A 90 LEU HG . 18262 1 900 . 1 1 90 90 LEU HD11 H 1 0.802 0.020 . 2 . . . A 90 LEU HD11 . 18262 1 901 . 1 1 90 90 LEU HD12 H 1 0.802 0.020 . 2 . . . A 90 LEU HD12 . 18262 1 902 . 1 1 90 90 LEU HD13 H 1 0.802 0.020 . 2 . . . A 90 LEU HD13 . 18262 1 903 . 1 1 90 90 LEU HD21 H 1 0.937 0.020 . 2 . . . A 90 LEU HD21 . 18262 1 904 . 1 1 90 90 LEU HD22 H 1 0.937 0.020 . 2 . . . A 90 LEU HD22 . 18262 1 905 . 1 1 90 90 LEU HD23 H 1 0.937 0.020 . 2 . . . A 90 LEU HD23 . 18262 1 906 . 1 1 90 90 LEU CA C 13 58.560 0.3 . 1 . . . A 90 LEU CA . 18262 1 907 . 1 1 90 90 LEU CB C 13 41.418 0.3 . 1 . . . A 90 LEU CB . 18262 1 908 . 1 1 90 90 LEU CG C 13 27.201 0.3 . 1 . . . A 90 LEU CG . 18262 1 909 . 1 1 90 90 LEU CD1 C 13 23.741 0.3 . 1 . . . A 90 LEU CD1 . 18262 1 910 . 1 1 90 90 LEU CD2 C 13 26.114 0.3 . 1 . . . A 90 LEU CD2 . 18262 1 911 . 1 1 90 90 LEU N N 15 124.688 0.3 . 1 . . . A 90 LEU N . 18262 1 912 . 1 1 91 91 SER H H 1 8.501 0.020 . 1 . . . A 91 SER H . 18262 1 913 . 1 1 91 91 SER CA C 13 61.331 0.3 . 1 . . . A 91 SER CA . 18262 1 914 . 1 1 91 91 SER CB C 13 62.080 0.3 . 1 . . . A 91 SER CB . 18262 1 915 . 1 1 91 91 SER N N 15 114.045 0.3 . 1 . . . A 91 SER N . 18262 1 916 . 1 1 92 92 THR H H 1 7.818 0.020 . 1 . . . A 92 THR H . 18262 1 917 . 1 1 92 92 THR HA H 1 4.006 0.020 . 1 . . . A 92 THR HA . 18262 1 918 . 1 1 92 92 THR HB H 1 4.228 0.020 . 1 . . . A 92 THR HB . 18262 1 919 . 1 1 92 92 THR HG21 H 1 1.135 0.020 . 1 . . . A 92 THR HG21 . 18262 1 920 . 1 1 92 92 THR HG22 H 1 1.135 0.020 . 1 . . . A 92 THR HG22 . 18262 1 921 . 1 1 92 92 THR HG23 H 1 1.135 0.020 . 1 . . . A 92 THR HG23 . 18262 1 922 . 1 1 92 92 THR CA C 13 66.537 0.3 . 1 . . . A 92 THR CA . 18262 1 923 . 1 1 92 92 THR CB C 13 68.326 0.3 . 1 . . . A 92 THR CB . 18262 1 924 . 1 1 92 92 THR CG2 C 13 21.867 0.3 . 1 . . . A 92 THR CG2 . 18262 1 925 . 1 1 92 92 THR N N 15 121.036 0.3 . 1 . . . A 92 THR N . 18262 1 926 . 1 1 93 93 LYS H H 1 8.146 0.020 . 1 . . . A 93 LYS H . 18262 1 927 . 1 1 93 93 LYS HA H 1 3.789 0.020 . 1 . . . A 93 LYS HA . 18262 1 928 . 1 1 93 93 LYS HB2 H 1 1.478 0.020 . 2 . . . A 93 LYS HB2 . 18262 1 929 . 1 1 93 93 LYS HB3 H 1 1.993 0.020 . 2 . . . A 93 LYS HB3 . 18262 1 930 . 1 1 93 93 LYS HG2 H 1 0.144 0.020 . 2 . . . A 93 LYS HG2 . 18262 1 931 . 1 1 93 93 LYS HG3 H 1 1.264 0.020 . 2 . . . A 93 LYS HG3 . 18262 1 932 . 1 1 93 93 LYS HD2 H 1 1.258 0.020 . 2 . . . A 93 LYS HD2 . 18262 1 933 . 1 1 93 93 LYS HD3 H 1 1.418 0.020 . 2 . . . A 93 LYS HD3 . 18262 1 934 . 1 1 93 93 LYS HE2 H 1 2.720 0.020 . 2 . . . A 93 LYS HE2 . 18262 1 935 . 1 1 93 93 LYS HE3 H 1 2.894 0.020 . 2 . . . A 93 LYS HE3 . 18262 1 936 . 1 1 93 93 LYS CA C 13 61.114 0.3 . 1 . . . A 93 LYS CA . 18262 1 937 . 1 1 93 93 LYS CB C 13 33.469 0.3 . 1 . . . A 93 LYS CB . 18262 1 938 . 1 1 93 93 LYS CG C 13 26.247 0.3 . 1 . . . A 93 LYS CG . 18262 1 939 . 1 1 93 93 LYS CD C 13 30.516 0.3 . 1 . . . A 93 LYS CD . 18262 1 940 . 1 1 93 93 LYS CE C 13 42.345 0.3 . 1 . . . A 93 LYS CE . 18262 1 941 . 1 1 93 93 LYS N N 15 120.426 0.3 . 1 . . . A 93 LYS N . 18262 1 942 . 1 1 94 94 THR H H 1 8.881 0.020 . 1 . . . A 94 THR H . 18262 1 943 . 1 1 94 94 THR HA H 1 3.933 0.020 . 1 . . . A 94 THR HA . 18262 1 944 . 1 1 94 94 THR HB H 1 4.274 0.020 . 1 . . . A 94 THR HB . 18262 1 945 . 1 1 94 94 THR HG21 H 1 1.238 0.020 . 1 . . . A 94 THR HG21 . 18262 1 946 . 1 1 94 94 THR HG22 H 1 1.238 0.020 . 1 . . . A 94 THR HG22 . 18262 1 947 . 1 1 94 94 THR HG23 H 1 1.238 0.020 . 1 . . . A 94 THR HG23 . 18262 1 948 . 1 1 94 94 THR CA C 13 67.228 0.3 . 1 . . . A 94 THR CA . 18262 1 949 . 1 1 94 94 THR CB C 13 68.083 0.3 . 1 . . . A 94 THR CB . 18262 1 950 . 1 1 94 94 THR CG2 C 13 22.134 0.3 . 1 . . . A 94 THR CG2 . 18262 1 951 . 1 1 94 94 THR N N 15 111.775 0.3 . 1 . . . A 94 THR N . 18262 1 952 . 1 1 95 95 SER H H 1 8.134 0.020 . 1 . . . A 95 SER H . 18262 1 953 . 1 1 95 95 SER HA H 1 4.397 0.020 . 1 . . . A 95 SER HA . 18262 1 954 . 1 1 95 95 SER HB2 H 1 4.104 0.020 . 2 . . . A 95 SER HB2 . 18262 1 955 . 1 1 95 95 SER HB3 H 1 4.167 0.020 . 2 . . . A 95 SER HB3 . 18262 1 956 . 1 1 95 95 SER CA C 13 62.060 0.3 . 1 . . . A 95 SER CA . 18262 1 957 . 1 1 95 95 SER CB C 13 62.693 0.3 . 1 . . . A 95 SER CB . 18262 1 958 . 1 1 95 95 SER N N 15 119.066 0.3 . 1 . . . A 95 SER N . 18262 1 959 . 1 1 96 96 SER H H 1 8.642 0.020 . 1 . . . A 96 SER H . 18262 1 960 . 1 1 96 96 SER HA H 1 4.462 0.020 . 1 . . . A 96 SER HA . 18262 1 961 . 1 1 96 96 SER HB2 H 1 3.992 0.020 . 1 . . . A 96 SER HB2 . 18262 1 962 . 1 1 96 96 SER HB3 H 1 3.992 0.020 . 1 . . . A 96 SER HB3 . 18262 1 963 . 1 1 96 96 SER CA C 13 62.623 0.3 . 1 . . . A 96 SER CA . 18262 1 964 . 1 1 96 96 SER CB C 13 62.866 0.3 . 1 . . . A 96 SER CB . 18262 1 965 . 1 1 96 96 SER N N 15 121.588 0.3 . 1 . . . A 96 SER N . 18262 1 966 . 1 1 97 97 ILE H H 1 8.482 0.020 . 1 . . . A 97 ILE H . 18262 1 967 . 1 1 97 97 ILE HA H 1 3.797 0.020 . 1 . . . A 97 ILE HA . 18262 1 968 . 1 1 97 97 ILE HB H 1 2.164 0.020 . 1 . . . A 97 ILE HB . 18262 1 969 . 1 1 97 97 ILE HG12 H 1 1.132 0.020 . 2 . . . A 97 ILE HG12 . 18262 1 970 . 1 1 97 97 ILE HG13 H 1 2.275 0.020 . 2 . . . A 97 ILE HG13 . 18262 1 971 . 1 1 97 97 ILE HG21 H 1 1.035 0.020 . 1 . . . A 97 ILE HG21 . 18262 1 972 . 1 1 97 97 ILE HG22 H 1 1.035 0.020 . 1 . . . A 97 ILE HG22 . 18262 1 973 . 1 1 97 97 ILE HG23 H 1 1.035 0.020 . 1 . . . A 97 ILE HG23 . 18262 1 974 . 1 1 97 97 ILE HD11 H 1 1.027 0.020 . 1 . . . A 97 ILE HD11 . 18262 1 975 . 1 1 97 97 ILE HD12 H 1 1.027 0.020 . 1 . . . A 97 ILE HD12 . 18262 1 976 . 1 1 97 97 ILE HD13 H 1 1.027 0.020 . 1 . . . A 97 ILE HD13 . 18262 1 977 . 1 1 97 97 ILE CA C 13 66.834 0.3 . 1 . . . A 97 ILE CA . 18262 1 978 . 1 1 97 97 ILE CB C 13 38.715 0.3 . 1 . . . A 97 ILE CB . 18262 1 979 . 1 1 97 97 ILE CG1 C 13 30.510 0.3 . 1 . . . A 97 ILE CG1 . 18262 1 980 . 1 1 97 97 ILE CG2 C 13 17.013 0.3 . 1 . . . A 97 ILE CG2 . 18262 1 981 . 1 1 97 97 ILE CD1 C 13 14.324 0.3 . 1 . . . A 97 ILE CD1 . 18262 1 982 . 1 1 97 97 ILE N N 15 122.467 0.3 . 1 . . . A 97 ILE N . 18262 1 983 . 1 1 98 98 ALA H H 1 8.437 0.020 . 1 . . . A 98 ALA H . 18262 1 984 . 1 1 98 98 ALA HA H 1 4.054 0.020 . 1 . . . A 98 ALA HA . 18262 1 985 . 1 1 98 98 ALA HB1 H 1 1.634 0.020 . 1 . . . A 98 ALA HB1 . 18262 1 986 . 1 1 98 98 ALA HB2 H 1 1.634 0.020 . 1 . . . A 98 ALA HB2 . 18262 1 987 . 1 1 98 98 ALA HB3 H 1 1.634 0.020 . 1 . . . A 98 ALA HB3 . 18262 1 988 . 1 1 98 98 ALA CA C 13 56.228 0.3 . 1 . . . A 98 ALA CA . 18262 1 989 . 1 1 98 98 ALA CB C 13 18.417 0.3 . 1 . . . A 98 ALA CB . 18262 1 990 . 1 1 98 98 ALA N N 15 122.100 0.3 . 1 . . . A 98 ALA N . 18262 1 991 . 1 1 99 99 SER H H 1 8.658 0.020 . 1 . . . A 99 SER H . 18262 1 992 . 1 1 99 99 SER HA H 1 4.366 0.020 . 1 . . . A 99 SER HA . 18262 1 993 . 1 1 99 99 SER HB2 H 1 4.066 0.020 . 2 . . . A 99 SER HB2 . 18262 1 994 . 1 1 99 99 SER HB3 H 1 4.179 0.020 . 2 . . . A 99 SER HB3 . 18262 1 995 . 1 1 99 99 SER CA C 13 62.029 0.3 . 1 . . . A 99 SER CA . 18262 1 996 . 1 1 99 99 SER CB C 13 63.230 0.3 . 1 . . . A 99 SER CB . 18262 1 997 . 1 1 99 99 SER N N 15 115.737 0.3 . 1 . . . A 99 SER N . 18262 1 998 . 1 1 100 100 ALA H H 1 8.976 0.020 . 1 . . . A 100 ALA H . 18262 1 999 . 1 1 100 100 ALA HA H 1 4.245 0.020 . 1 . . . A 100 ALA HA . 18262 1 1000 . 1 1 100 100 ALA HB1 H 1 1.606 0.020 . 1 . . . A 100 ALA HB1 . 18262 1 1001 . 1 1 100 100 ALA HB2 H 1 1.606 0.020 . 1 . . . A 100 ALA HB2 . 18262 1 1002 . 1 1 100 100 ALA HB3 H 1 1.606 0.020 . 1 . . . A 100 ALA HB3 . 18262 1 1003 . 1 1 100 100 ALA CA C 13 55.391 0.3 . 1 . . . A 100 ALA CA . 18262 1 1004 . 1 1 100 100 ALA CB C 13 18.492 0.3 . 1 . . . A 100 ALA CB . 18262 1 1005 . 1 1 100 100 ALA N N 15 124.292 0.3 . 1 . . . A 100 ALA N . 18262 1 1006 . 1 1 101 101 MET H H 1 9.063 0.020 . 1 . . . A 101 MET H . 18262 1 1007 . 1 1 101 101 MET HA H 1 4.054 0.020 . 1 . . . A 101 MET HA . 18262 1 1008 . 1 1 101 101 MET HB2 H 1 2.154 0.020 . 2 . . . A 101 MET HB2 . 18262 1 1009 . 1 1 101 101 MET HB3 H 1 2.654 0.020 . 2 . . . A 101 MET HB3 . 18262 1 1010 . 1 1 101 101 MET HG2 H 1 2.108 0.020 . 2 . . . A 101 MET HG2 . 18262 1 1011 . 1 1 101 101 MET HG3 H 1 3.226 0.020 . 2 . . . A 101 MET HG3 . 18262 1 1012 . 1 1 101 101 MET HE1 H 1 1.938 0.020 . 1 . . . A 101 MET HE1 . 18262 1 1013 . 1 1 101 101 MET HE2 H 1 1.938 0.020 . 1 . . . A 101 MET HE2 . 18262 1 1014 . 1 1 101 101 MET HE3 H 1 1.938 0.020 . 1 . . . A 101 MET HE3 . 18262 1 1015 . 1 1 101 101 MET CA C 13 61.026 0.3 . 1 . . . A 101 MET CA . 18262 1 1016 . 1 1 101 101 MET CB C 13 34.483 0.3 . 1 . . . A 101 MET CB . 18262 1 1017 . 1 1 101 101 MET CG C 13 35.724 0.3 . 1 . . . A 101 MET CG . 18262 1 1018 . 1 1 101 101 MET CE C 13 18.208 0.3 . 1 . . . A 101 MET CE . 18262 1 1019 . 1 1 101 101 MET N N 15 119.143 0.3 . 1 . . . A 101 MET N . 18262 1 1020 . 1 1 102 102 SER H H 1 8.693 0.020 . 1 . . . A 102 SER H . 18262 1 1021 . 1 1 102 102 SER HA H 1 4.363 0.020 . 1 . . . A 102 SER HA . 18262 1 1022 . 1 1 102 102 SER HB2 H 1 4.177 0.020 . 2 . . . A 102 SER HB2 . 18262 1 1023 . 1 1 102 102 SER HB3 H 1 4.250 0.020 . 2 . . . A 102 SER HB3 . 18262 1 1024 . 1 1 102 102 SER CA C 13 63.348 0.3 . 1 . . . A 102 SER CA . 18262 1 1025 . 1 1 102 102 SER CB C 13 62.593 0.3 . 1 . . . A 102 SER CB . 18262 1 1026 . 1 1 102 102 SER N N 15 116.778 0.3 . 1 . . . A 102 SER N . 18262 1 1027 . 1 1 103 103 ASN H H 1 8.108 0.020 . 1 . . . A 103 ASN H . 18262 1 1028 . 1 1 103 103 ASN HA H 1 4.464 0.020 . 1 . . . A 103 ASN HA . 18262 1 1029 . 1 1 103 103 ASN HB2 H 1 2.817 0.020 . 1 . . . A 103 ASN HB2 . 18262 1 1030 . 1 1 103 103 ASN HB3 H 1 2.817 0.020 . 1 . . . A 103 ASN HB3 . 18262 1 1031 . 1 1 103 103 ASN HD21 H 1 7.813 0.020 . 1 . . . A 103 ASN HD21 . 18262 1 1032 . 1 1 103 103 ASN HD22 H 1 6.918 0.020 . 1 . . . A 103 ASN HD22 . 18262 1 1033 . 1 1 103 103 ASN CA C 13 56.662 0.3 . 1 . . . A 103 ASN CA . 18262 1 1034 . 1 1 103 103 ASN CB C 13 38.517 0.3 . 1 . . . A 103 ASN CB . 18262 1 1035 . 1 1 103 103 ASN N N 15 117.982 0.3 . 1 . . . A 103 ASN N . 18262 1 1036 . 1 1 103 103 ASN ND2 N 15 114.095 0.3 . 1 . . . A 103 ASN ND2 . 18262 1 1037 . 1 1 104 104 ALA H H 1 7.892 0.020 . 1 . . . A 104 ALA H . 18262 1 1038 . 1 1 104 104 ALA HA H 1 4.240 0.020 . 1 . . . A 104 ALA HA . 18262 1 1039 . 1 1 104 104 ALA HB1 H 1 0.837 0.020 . 1 . . . A 104 ALA HB1 . 18262 1 1040 . 1 1 104 104 ALA HB2 H 1 0.837 0.020 . 1 . . . A 104 ALA HB2 . 18262 1 1041 . 1 1 104 104 ALA HB3 H 1 0.837 0.020 . 1 . . . A 104 ALA HB3 . 18262 1 1042 . 1 1 104 104 ALA CA C 13 54.843 0.3 . 1 . . . A 104 ALA CA . 18262 1 1043 . 1 1 104 104 ALA CB C 13 18.233 0.3 . 1 . . . A 104 ALA CB . 18262 1 1044 . 1 1 104 104 ALA N N 15 122.272 0.3 . 1 . . . A 104 ALA N . 18262 1 1045 . 1 1 105 105 PHE H H 1 8.580 0.020 . 1 . . . A 105 PHE H . 18262 1 1046 . 1 1 105 105 PHE HA H 1 4.400 0.020 . 1 . . . A 105 PHE HA . 18262 1 1047 . 1 1 105 105 PHE HB2 H 1 3.294 0.020 . 2 . . . A 105 PHE HB2 . 18262 1 1048 . 1 1 105 105 PHE HB3 H 1 3.640 0.020 . 2 . . . A 105 PHE HB3 . 18262 1 1049 . 1 1 105 105 PHE HD1 H 1 7.576 0.020 . 1 . . . A 105 PHE HD1 . 18262 1 1050 . 1 1 105 105 PHE HD2 H 1 7.576 0.020 . 1 . . . A 105 PHE HD2 . 18262 1 1051 . 1 1 105 105 PHE HE1 H 1 7.187 0.020 . 1 . . . A 105 PHE HE1 . 18262 1 1052 . 1 1 105 105 PHE HE2 H 1 7.187 0.020 . 1 . . . A 105 PHE HE2 . 18262 1 1053 . 1 1 105 105 PHE CA C 13 63.843 0.3 . 1 . . . A 105 PHE CA . 18262 1 1054 . 1 1 105 105 PHE CB C 13 39.487 0.3 . 1 . . . A 105 PHE CB . 18262 1 1055 . 1 1 105 105 PHE CD1 C 13 132.925 0.3 . 1 . . . A 105 PHE CD1 . 18262 1 1056 . 1 1 105 105 PHE CD2 C 13 132.925 0.3 . 1 . . . A 105 PHE CD2 . 18262 1 1057 . 1 1 105 105 PHE CE1 C 13 131.902 0.3 . 1 . . . A 105 PHE CE1 . 18262 1 1058 . 1 1 105 105 PHE CE2 C 13 131.902 0.3 . 1 . . . A 105 PHE CE2 . 18262 1 1059 . 1 1 105 105 PHE N N 15 119.096 0.3 . 1 . . . A 105 PHE N . 18262 1 1060 . 1 1 106 106 LEU H H 1 8.226 0.020 . 1 . . . A 106 LEU H . 18262 1 1061 . 1 1 106 106 LEU HA H 1 3.736 0.020 . 1 . . . A 106 LEU HA . 18262 1 1062 . 1 1 106 106 LEU HB2 H 1 1.571 0.020 . 2 . . . A 106 LEU HB2 . 18262 1 1063 . 1 1 106 106 LEU HB3 H 1 2.020 0.020 . 2 . . . A 106 LEU HB3 . 18262 1 1064 . 1 1 106 106 LEU HG H 1 1.733 0.020 . 1 . . . A 106 LEU HG . 18262 1 1065 . 1 1 106 106 LEU HD11 H 1 0.798 0.020 . 2 . . . A 106 LEU HD11 . 18262 1 1066 . 1 1 106 106 LEU HD12 H 1 0.798 0.020 . 2 . . . A 106 LEU HD12 . 18262 1 1067 . 1 1 106 106 LEU HD13 H 1 0.798 0.020 . 2 . . . A 106 LEU HD13 . 18262 1 1068 . 1 1 106 106 LEU HD21 H 1 0.900 0.020 . 2 . . . A 106 LEU HD21 . 18262 1 1069 . 1 1 106 106 LEU HD22 H 1 0.900 0.020 . 2 . . . A 106 LEU HD22 . 18262 1 1070 . 1 1 106 106 LEU HD23 H 1 0.900 0.020 . 2 . . . A 106 LEU HD23 . 18262 1 1071 . 1 1 106 106 LEU CA C 13 59.156 0.3 . 1 . . . A 106 LEU CA . 18262 1 1072 . 1 1 106 106 LEU CB C 13 41.335 0.3 . 1 . . . A 106 LEU CB . 18262 1 1073 . 1 1 106 106 LEU CG C 13 26.781 0.3 . 1 . . . A 106 LEU CG . 18262 1 1074 . 1 1 106 106 LEU CD1 C 13 23.042 0.3 . 1 . . . A 106 LEU CD1 . 18262 1 1075 . 1 1 106 106 LEU CD2 C 13 25.068 0.3 . 1 . . . A 106 LEU CD2 . 18262 1 1076 . 1 1 106 106 LEU N N 15 121.540 0.3 . 1 . . . A 106 LEU N . 18262 1 1077 . 1 1 107 107 GLN H H 1 8.132 0.020 . 1 . . . A 107 GLN H . 18262 1 1078 . 1 1 107 107 GLN HA H 1 4.190 0.020 . 1 . . . A 107 GLN HA . 18262 1 1079 . 1 1 107 107 GLN HB2 H 1 2.029 0.020 . 2 . . . A 107 GLN HB2 . 18262 1 1080 . 1 1 107 107 GLN HB3 H 1 2.253 0.020 . 2 . . . A 107 GLN HB3 . 18262 1 1081 . 1 1 107 107 GLN HG2 H 1 2.480 0.020 . 1 . . . A 107 GLN HG2 . 18262 1 1082 . 1 1 107 107 GLN HG3 H 1 2.480 0.020 . 1 . . . A 107 GLN HG3 . 18262 1 1083 . 1 1 107 107 GLN HE21 H 1 7.345 0.020 . 1 . . . A 107 GLN HE21 . 18262 1 1084 . 1 1 107 107 GLN HE22 H 1 6.874 0.020 . 1 . . . A 107 GLN HE22 . 18262 1 1085 . 1 1 107 107 GLN CA C 13 57.418 0.3 . 1 . . . A 107 GLN CA . 18262 1 1086 . 1 1 107 107 GLN CB C 13 29.491 0.3 . 1 . . . A 107 GLN CB . 18262 1 1087 . 1 1 107 107 GLN CG C 13 33.990 0.3 . 1 . . . A 107 GLN CG . 18262 1 1088 . 1 1 107 107 GLN N N 15 114.603 0.3 . 1 . . . A 107 GLN N . 18262 1 1089 . 1 1 107 107 GLN NE2 N 15 112.301 0.3 . 1 . . . A 107 GLN NE2 . 18262 1 1090 . 1 1 108 108 THR H H 1 7.726 0.020 . 1 . . . A 108 THR H . 18262 1 1091 . 1 1 108 108 THR HA H 1 4.518 0.020 . 1 . . . A 108 THR HA . 18262 1 1092 . 1 1 108 108 THR HB H 1 4.198 0.020 . 1 . . . A 108 THR HB . 18262 1 1093 . 1 1 108 108 THR HG21 H 1 1.221 0.020 . 1 . . . A 108 THR HG21 . 18262 1 1094 . 1 1 108 108 THR HG22 H 1 1.221 0.020 . 1 . . . A 108 THR HG22 . 18262 1 1095 . 1 1 108 108 THR HG23 H 1 1.221 0.020 . 1 . . . A 108 THR HG23 . 18262 1 1096 . 1 1 108 108 THR CA C 13 62.483 0.3 . 1 . . . A 108 THR CA . 18262 1 1097 . 1 1 108 108 THR CB C 13 70.390 0.3 . 1 . . . A 108 THR CB . 18262 1 1098 . 1 1 108 108 THR CG2 C 13 21.992 0.3 . 1 . . . A 108 THR CG2 . 18262 1 1099 . 1 1 108 108 THR N N 15 108.290 0.3 . 1 . . . A 108 THR N . 18262 1 1100 . 1 1 109 109 THR H H 1 8.907 0.020 . 1 . . . A 109 THR H . 18262 1 1101 . 1 1 109 109 THR HA H 1 4.586 0.020 . 1 . . . A 109 THR HA . 18262 1 1102 . 1 1 109 109 THR HB H 1 4.465 0.020 . 1 . . . A 109 THR HB . 18262 1 1103 . 1 1 109 109 THR HG21 H 1 1.383 0.020 . 1 . . . A 109 THR HG21 . 18262 1 1104 . 1 1 109 109 THR HG22 H 1 1.383 0.020 . 1 . . . A 109 THR HG22 . 18262 1 1105 . 1 1 109 109 THR HG23 H 1 1.383 0.020 . 1 . . . A 109 THR HG23 . 18262 1 1106 . 1 1 109 109 THR CA C 13 62.325 0.3 . 1 . . . A 109 THR CA . 18262 1 1107 . 1 1 109 109 THR CB C 13 70.696 0.3 . 1 . . . A 109 THR CB . 18262 1 1108 . 1 1 109 109 THR CG2 C 13 22.578 0.3 . 1 . . . A 109 THR CG2 . 18262 1 1109 . 1 1 109 109 THR N N 15 113.407 0.3 . 1 . . . A 109 THR N . 18262 1 1110 . 1 1 110 110 GLY H H 1 8.361 0.020 . 1 . . . A 110 GLY H . 18262 1 1111 . 1 1 110 110 GLY HA2 H 1 3.948 0.020 . 2 . . . A 110 GLY HA2 . 18262 1 1112 . 1 1 110 110 GLY HA3 H 1 4.417 0.020 . 2 . . . A 110 GLY HA3 . 18262 1 1113 . 1 1 110 110 GLY CA C 13 45.568 0.3 . 1 . . . A 110 GLY CA . 18262 1 1114 . 1 1 110 110 GLY N N 15 109.267 0.3 . 1 . . . A 110 GLY N . 18262 1 1115 . 1 1 111 111 VAL H H 1 7.784 0.020 . 1 . . . A 111 VAL H . 18262 1 1116 . 1 1 111 111 VAL HA H 1 4.255 0.020 . 1 . . . A 111 VAL HA . 18262 1 1117 . 1 1 111 111 VAL HB H 1 1.804 0.020 . 1 . . . A 111 VAL HB . 18262 1 1118 . 1 1 111 111 VAL HG11 H 1 0.747 0.020 . 2 . . . A 111 VAL HG11 . 18262 1 1119 . 1 1 111 111 VAL HG12 H 1 0.747 0.020 . 2 . . . A 111 VAL HG12 . 18262 1 1120 . 1 1 111 111 VAL HG13 H 1 0.747 0.020 . 2 . . . A 111 VAL HG13 . 18262 1 1121 . 1 1 111 111 VAL HG21 H 1 0.791 0.020 . 2 . . . A 111 VAL HG21 . 18262 1 1122 . 1 1 111 111 VAL HG22 H 1 0.791 0.020 . 2 . . . A 111 VAL HG22 . 18262 1 1123 . 1 1 111 111 VAL HG23 H 1 0.791 0.020 . 2 . . . A 111 VAL HG23 . 18262 1 1124 . 1 1 111 111 VAL CA C 13 60.882 0.3 . 1 . . . A 111 VAL CA . 18262 1 1125 . 1 1 111 111 VAL CB C 13 35.436 0.3 . 1 . . . A 111 VAL CB . 18262 1 1126 . 1 1 111 111 VAL CG1 C 13 20.983 0.3 . 1 . . . A 111 VAL CG1 . 18262 1 1127 . 1 1 111 111 VAL CG2 C 13 20.570 0.3 . 1 . . . A 111 VAL CG2 . 18262 1 1128 . 1 1 111 111 VAL N N 15 119.375 0.3 . 1 . . . A 111 VAL N . 18262 1 1129 . 1 1 112 112 VAL H H 1 8.747 0.020 . 1 . . . A 112 VAL H . 18262 1 1130 . 1 1 112 112 VAL HA H 1 3.212 0.020 . 1 . . . A 112 VAL HA . 18262 1 1131 . 1 1 112 112 VAL HB H 1 1.983 0.020 . 1 . . . A 112 VAL HB . 18262 1 1132 . 1 1 112 112 VAL HG11 H 1 0.851 0.020 . 2 . . . A 112 VAL HG11 . 18262 1 1133 . 1 1 112 112 VAL HG12 H 1 0.851 0.020 . 2 . . . A 112 VAL HG12 . 18262 1 1134 . 1 1 112 112 VAL HG13 H 1 0.851 0.020 . 2 . . . A 112 VAL HG13 . 18262 1 1135 . 1 1 112 112 VAL HG21 H 1 1.137 0.020 . 2 . . . A 112 VAL HG21 . 18262 1 1136 . 1 1 112 112 VAL HG22 H 1 1.137 0.020 . 2 . . . A 112 VAL HG22 . 18262 1 1137 . 1 1 112 112 VAL HG23 H 1 1.137 0.020 . 2 . . . A 112 VAL HG23 . 18262 1 1138 . 1 1 112 112 VAL CA C 13 64.479 0.3 . 1 . . . A 112 VAL CA . 18262 1 1139 . 1 1 112 112 VAL CB C 13 32.696 0.3 . 1 . . . A 112 VAL CB . 18262 1 1140 . 1 1 112 112 VAL CG1 C 13 22.309 0.3 . 1 . . . A 112 VAL CG1 . 18262 1 1141 . 1 1 112 112 VAL CG2 C 13 22.241 0.3 . 1 . . . A 112 VAL CG2 . 18262 1 1142 . 1 1 112 112 VAL N N 15 125.327 0.3 . 1 . . . A 112 VAL N . 18262 1 1143 . 1 1 113 113 ASN HA H 1 4.502 0.020 . 1 . . . A 113 ASN HA . 18262 1 1144 . 1 1 113 113 ASN HB2 H 1 1.842 0.020 . 2 . . . A 113 ASN HB2 . 18262 1 1145 . 1 1 113 113 ASN HB3 H 1 2.008 0.020 . 2 . . . A 113 ASN HB3 . 18262 1 1146 . 1 1 113 113 ASN HD21 H 1 7.011 0.020 . 1 . . . A 113 ASN HD21 . 18262 1 1147 . 1 1 113 113 ASN HD22 H 1 6.623 0.020 . 1 . . . A 113 ASN HD22 . 18262 1 1148 . 1 1 113 113 ASN CA C 13 50.193 0.3 . 1 . . . A 113 ASN CA . 18262 1 1149 . 1 1 113 113 ASN CB C 13 37.122 0.3 . 1 . . . A 113 ASN CB . 18262 1 1150 . 1 1 113 113 ASN ND2 N 15 110.582 0.3 . 1 . . . A 113 ASN ND2 . 18262 1 1151 . 1 1 114 114 GLN H H 1 8.394 0.020 . 1 . . . A 114 GLN H . 18262 1 1152 . 1 1 114 114 GLN HA H 1 3.937 0.020 . 1 . . . A 114 GLN HA . 18262 1 1153 . 1 1 114 114 GLN HB2 H 1 2.052 0.020 . 2 . . . A 114 GLN HB2 . 18262 1 1154 . 1 1 114 114 GLN HB3 H 1 2.178 0.020 . 2 . . . A 114 GLN HB3 . 18262 1 1155 . 1 1 114 114 GLN HG2 H 1 2.336 0.020 . 2 . . . A 114 GLN HG2 . 18262 1 1156 . 1 1 114 114 GLN HG3 H 1 2.411 0.020 . 2 . . . A 114 GLN HG3 . 18262 1 1157 . 1 1 114 114 GLN HE21 H 1 7.405 0.020 . 1 . . . A 114 GLN HE21 . 18262 1 1158 . 1 1 114 114 GLN HE22 H 1 6.889 0.020 . 1 . . . A 114 GLN HE22 . 18262 1 1159 . 1 1 114 114 GLN CA C 13 59.418 0.3 . 1 . . . A 114 GLN CA . 18262 1 1160 . 1 1 114 114 GLN CB C 13 26.547 0.3 . 1 . . . A 114 GLN CB . 18262 1 1161 . 1 1 114 114 GLN CG C 13 33.728 0.3 . 1 . . . A 114 GLN CG . 18262 1 1162 . 1 1 114 114 GLN N N 15 124.067 0.3 . 1 . . . A 114 GLN N . 18262 1 1163 . 1 1 114 114 GLN NE2 N 15 113.163 0.3 . 1 . . . A 114 GLN NE2 . 18262 1 1164 . 1 1 115 115 PRO HA H 1 4.250 0.020 . 1 . . . A 115 PRO HA . 18262 1 1165 . 1 1 115 115 PRO HB2 H 1 1.796 0.020 . 2 . . . A 115 PRO HB2 . 18262 1 1166 . 1 1 115 115 PRO HB3 H 1 2.338 0.020 . 2 . . . A 115 PRO HB3 . 18262 1 1167 . 1 1 115 115 PRO HG2 H 1 1.885 0.020 . 2 . . . A 115 PRO HG2 . 18262 1 1168 . 1 1 115 115 PRO HG3 H 1 2.111 0.020 . 2 . . . A 115 PRO HG3 . 18262 1 1169 . 1 1 115 115 PRO HD2 H 1 3.744 0.020 . 2 . . . A 115 PRO HD2 . 18262 1 1170 . 1 1 115 115 PRO HD3 H 1 3.988 0.020 . 2 . . . A 115 PRO HD3 . 18262 1 1171 . 1 1 115 115 PRO CA C 13 66.672 0.3 . 1 . . . A 115 PRO CA . 18262 1 1172 . 1 1 115 115 PRO CB C 13 31.299 0.3 . 1 . . . A 115 PRO CB . 18262 1 1173 . 1 1 115 115 PRO CG C 13 28.675 0.3 . 1 . . . A 115 PRO CG . 18262 1 1174 . 1 1 115 115 PRO CD C 13 50.613 0.3 . 1 . . . A 115 PRO CD . 18262 1 1175 . 1 1 116 116 PHE H H 1 7.268 0.020 . 1 . . . A 116 PHE H . 18262 1 1176 . 1 1 116 116 PHE HA H 1 4.202 0.020 . 1 . . . A 116 PHE HA . 18262 1 1177 . 1 1 116 116 PHE HB2 H 1 2.825 0.020 . 2 . . . A 116 PHE HB2 . 18262 1 1178 . 1 1 116 116 PHE HB3 H 1 3.024 0.020 . 2 . . . A 116 PHE HB3 . 18262 1 1179 . 1 1 116 116 PHE HD1 H 1 7.270 0.020 . 1 . . . A 116 PHE HD1 . 18262 1 1180 . 1 1 116 116 PHE HD2 H 1 7.270 0.020 . 1 . . . A 116 PHE HD2 . 18262 1 1181 . 1 1 116 116 PHE HE1 H 1 7.249 0.020 . 1 . . . A 116 PHE HE1 . 18262 1 1182 . 1 1 116 116 PHE HE2 H 1 7.249 0.020 . 1 . . . A 116 PHE HE2 . 18262 1 1183 . 1 1 116 116 PHE HZ H 1 6.370 0.020 . 1 . . . A 116 PHE HZ . 18262 1 1184 . 1 1 116 116 PHE CA C 13 61.331 0.3 . 1 . . . A 116 PHE CA . 18262 1 1185 . 1 1 116 116 PHE CB C 13 39.519 0.3 . 1 . . . A 116 PHE CB . 18262 1 1186 . 1 1 116 116 PHE CD1 C 13 131.739 0.3 . 1 . . . A 116 PHE CD1 . 18262 1 1187 . 1 1 116 116 PHE CD2 C 13 131.739 0.3 . 1 . . . A 116 PHE CD2 . 18262 1 1188 . 1 1 116 116 PHE CE1 C 13 131.781 0.3 . 1 . . . A 116 PHE CE1 . 18262 1 1189 . 1 1 116 116 PHE CE2 C 13 131.781 0.3 . 1 . . . A 116 PHE CE2 . 18262 1 1190 . 1 1 116 116 PHE CZ C 13 130.014 0.3 . 1 . . . A 116 PHE CZ . 18262 1 1191 . 1 1 116 116 PHE N N 15 117.820 0.3 . 1 . . . A 116 PHE N . 18262 1 1192 . 1 1 117 117 ILE H H 1 7.641 0.020 . 1 . . . A 117 ILE H . 18262 1 1193 . 1 1 117 117 ILE HA H 1 3.534 0.020 . 1 . . . A 117 ILE HA . 18262 1 1194 . 1 1 117 117 ILE HB H 1 2.067 0.020 . 1 . . . A 117 ILE HB . 18262 1 1195 . 1 1 117 117 ILE HG12 H 1 1.328 0.020 . 2 . . . A 117 ILE HG12 . 18262 1 1196 . 1 1 117 117 ILE HG13 H 1 2.300 0.020 . 2 . . . A 117 ILE HG13 . 18262 1 1197 . 1 1 117 117 ILE HG21 H 1 1.091 0.020 . 1 . . . A 117 ILE HG21 . 18262 1 1198 . 1 1 117 117 ILE HG22 H 1 1.091 0.020 . 1 . . . A 117 ILE HG22 . 18262 1 1199 . 1 1 117 117 ILE HG23 H 1 1.091 0.020 . 1 . . . A 117 ILE HG23 . 18262 1 1200 . 1 1 117 117 ILE HD11 H 1 1.075 0.020 . 1 . . . A 117 ILE HD11 . 18262 1 1201 . 1 1 117 117 ILE HD12 H 1 1.075 0.020 . 1 . . . A 117 ILE HD12 . 18262 1 1202 . 1 1 117 117 ILE HD13 H 1 1.075 0.020 . 1 . . . A 117 ILE HD13 . 18262 1 1203 . 1 1 117 117 ILE CA C 13 65.747 0.3 . 1 . . . A 117 ILE CA . 18262 1 1204 . 1 1 117 117 ILE CB C 13 38.195 0.3 . 1 . . . A 117 ILE CB . 18262 1 1205 . 1 1 117 117 ILE CG1 C 13 29.786 0.3 . 1 . . . A 117 ILE CG1 . 18262 1 1206 . 1 1 117 117 ILE CG2 C 13 17.632 0.3 . 1 . . . A 117 ILE CG2 . 18262 1 1207 . 1 1 117 117 ILE CD1 C 13 14.637 0.3 . 1 . . . A 117 ILE CD1 . 18262 1 1208 . 1 1 117 117 ILE N N 15 119.434 0.3 . 1 . . . A 117 ILE N . 18262 1 1209 . 1 1 118 118 ASN H H 1 8.985 0.020 . 1 . . . A 118 ASN H . 18262 1 1210 . 1 1 118 118 ASN HA H 1 4.313 0.020 . 1 . . . A 118 ASN HA . 18262 1 1211 . 1 1 118 118 ASN HB2 H 1 2.841 0.020 . 2 . . . A 118 ASN HB2 . 18262 1 1212 . 1 1 118 118 ASN HB3 H 1 2.899 0.020 . 2 . . . A 118 ASN HB3 . 18262 1 1213 . 1 1 118 118 ASN HD21 H 1 7.706 0.020 . 1 . . . A 118 ASN HD21 . 18262 1 1214 . 1 1 118 118 ASN HD22 H 1 7.029 0.020 . 1 . . . A 118 ASN HD22 . 18262 1 1215 . 1 1 118 118 ASN CA C 13 55.701 0.3 . 1 . . . A 118 ASN CA . 18262 1 1216 . 1 1 118 118 ASN CB C 13 37.521 0.3 . 1 . . . A 118 ASN CB . 18262 1 1217 . 1 1 118 118 ASN N N 15 119.834 0.3 . 1 . . . A 118 ASN N . 18262 1 1218 . 1 1 118 118 ASN ND2 N 15 111.333 0.3 . 1 . . . A 118 ASN ND2 . 18262 1 1219 . 1 1 119 119 GLU H H 1 8.090 0.020 . 1 . . . A 119 GLU H . 18262 1 1220 . 1 1 119 119 GLU HA H 1 4.023 0.020 . 1 . . . A 119 GLU HA . 18262 1 1221 . 1 1 119 119 GLU HB2 H 1 2.020 0.020 . 2 . . . A 119 GLU HB2 . 18262 1 1222 . 1 1 119 119 GLU HB3 H 1 2.090 0.020 . 2 . . . A 119 GLU HB3 . 18262 1 1223 . 1 1 119 119 GLU HG2 H 1 2.086 0.020 . 2 . . . A 119 GLU HG2 . 18262 1 1224 . 1 1 119 119 GLU HG3 H 1 2.248 0.020 . 2 . . . A 119 GLU HG3 . 18262 1 1225 . 1 1 119 119 GLU CA C 13 59.637 0.3 . 1 . . . A 119 GLU CA . 18262 1 1226 . 1 1 119 119 GLU CB C 13 29.716 0.3 . 1 . . . A 119 GLU CB . 18262 1 1227 . 1 1 119 119 GLU CG C 13 36.134 0.3 . 1 . . . A 119 GLU CG . 18262 1 1228 . 1 1 119 119 GLU N N 15 121.164 0.3 . 1 . . . A 119 GLU N . 18262 1 1229 . 1 1 120 120 ILE H H 1 8.025 0.020 . 1 . . . A 120 ILE H . 18262 1 1230 . 1 1 120 120 ILE HA H 1 3.754 0.020 . 1 . . . A 120 ILE HA . 18262 1 1231 . 1 1 120 120 ILE HB H 1 1.922 0.020 . 1 . . . A 120 ILE HB . 18262 1 1232 . 1 1 120 120 ILE HG12 H 1 0.987 0.020 . 2 . . . A 120 ILE HG12 . 18262 1 1233 . 1 1 120 120 ILE HG13 H 1 1.145 0.020 . 2 . . . A 120 ILE HG13 . 18262 1 1234 . 1 1 120 120 ILE HG21 H 1 0.744 0.020 . 1 . . . A 120 ILE HG21 . 18262 1 1235 . 1 1 120 120 ILE HG22 H 1 0.744 0.020 . 1 . . . A 120 ILE HG22 . 18262 1 1236 . 1 1 120 120 ILE HG23 H 1 0.744 0.020 . 1 . . . A 120 ILE HG23 . 18262 1 1237 . 1 1 120 120 ILE HD11 H 1 0.747 0.020 . 1 . . . A 120 ILE HD11 . 18262 1 1238 . 1 1 120 120 ILE HD12 H 1 0.747 0.020 . 1 . . . A 120 ILE HD12 . 18262 1 1239 . 1 1 120 120 ILE HD13 H 1 0.747 0.020 . 1 . . . A 120 ILE HD13 . 18262 1 1240 . 1 1 120 120 ILE CA C 13 62.968 0.3 . 1 . . . A 120 ILE CA . 18262 1 1241 . 1 1 120 120 ILE CB C 13 35.814 0.3 . 1 . . . A 120 ILE CB . 18262 1 1242 . 1 1 120 120 ILE CG1 C 13 28.326 0.3 . 1 . . . A 120 ILE CG1 . 18262 1 1243 . 1 1 120 120 ILE CG2 C 13 18.103 0.3 . 1 . . . A 120 ILE CG2 . 18262 1 1244 . 1 1 120 120 ILE CD1 C 13 10.131 0.3 . 1 . . . A 120 ILE CD1 . 18262 1 1245 . 1 1 120 120 ILE N N 15 117.906 0.3 . 1 . . . A 120 ILE N . 18262 1 1246 . 1 1 121 121 THR H H 1 8.665 0.020 . 1 . . . A 121 THR H . 18262 1 1247 . 1 1 121 121 THR HA H 1 3.767 0.020 . 1 . . . A 121 THR HA . 18262 1 1248 . 1 1 121 121 THR HB H 1 4.231 0.020 . 1 . . . A 121 THR HB . 18262 1 1249 . 1 1 121 121 THR HG21 H 1 1.293 0.020 . 1 . . . A 121 THR HG21 . 18262 1 1250 . 1 1 121 121 THR HG22 H 1 1.293 0.020 . 1 . . . A 121 THR HG22 . 18262 1 1251 . 1 1 121 121 THR HG23 H 1 1.293 0.020 . 1 . . . A 121 THR HG23 . 18262 1 1252 . 1 1 121 121 THR CA C 13 67.203 0.3 . 1 . . . A 121 THR CA . 18262 1 1253 . 1 1 121 121 THR CB C 13 68.380 0.3 . 1 . . . A 121 THR CB . 18262 1 1254 . 1 1 121 121 THR CG2 C 13 22.417 0.3 . 1 . . . A 121 THR CG2 . 18262 1 1255 . 1 1 121 121 THR N N 15 112.720 0.3 . 1 . . . A 121 THR N . 18262 1 1256 . 1 1 122 122 GLN H H 1 8.128 0.020 . 1 . . . A 122 GLN H . 18262 1 1257 . 1 1 122 122 GLN HA H 1 4.088 0.020 . 1 . . . A 122 GLN HA . 18262 1 1258 . 1 1 122 122 GLN HB2 H 1 2.135 0.020 . 2 . . . A 122 GLN HB2 . 18262 1 1259 . 1 1 122 122 GLN HB3 H 1 2.226 0.020 . 2 . . . A 122 GLN HB3 . 18262 1 1260 . 1 1 122 122 GLN HG2 H 1 2.375 0.020 . 2 . . . A 122 GLN HG2 . 18262 1 1261 . 1 1 122 122 GLN HG3 H 1 2.468 0.020 . 2 . . . A 122 GLN HG3 . 18262 1 1262 . 1 1 122 122 GLN CA C 13 59.262 0.3 . 1 . . . A 122 GLN CA . 18262 1 1263 . 1 1 122 122 GLN CB C 13 28.161 0.3 . 1 . . . A 122 GLN CB . 18262 1 1264 . 1 1 122 122 GLN CG C 13 34.115 0.3 . 1 . . . A 122 GLN CG . 18262 1 1265 . 1 1 122 122 GLN N N 15 123.165 0.3 . 1 . . . A 122 GLN N . 18262 1 1266 . 1 1 123 123 LEU H H 1 8.173 0.020 . 1 . . . A 123 LEU H . 18262 1 1267 . 1 1 123 123 LEU HA H 1 3.923 0.020 . 1 . . . A 123 LEU HA . 18262 1 1268 . 1 1 123 123 LEU HB2 H 1 1.274 0.020 . 2 . . . A 123 LEU HB2 . 18262 1 1269 . 1 1 123 123 LEU HB3 H 1 2.058 0.020 . 2 . . . A 123 LEU HB3 . 18262 1 1270 . 1 1 123 123 LEU HG H 1 1.943 0.020 . 1 . . . A 123 LEU HG . 18262 1 1271 . 1 1 123 123 LEU HD11 H 1 0.817 0.020 . 2 . . . A 123 LEU HD11 . 18262 1 1272 . 1 1 123 123 LEU HD12 H 1 0.817 0.020 . 2 . . . A 123 LEU HD12 . 18262 1 1273 . 1 1 123 123 LEU HD13 H 1 0.817 0.020 . 2 . . . A 123 LEU HD13 . 18262 1 1274 . 1 1 123 123 LEU HD21 H 1 0.897 0.020 . 2 . . . A 123 LEU HD21 . 18262 1 1275 . 1 1 123 123 LEU HD22 H 1 0.897 0.020 . 2 . . . A 123 LEU HD22 . 18262 1 1276 . 1 1 123 123 LEU HD23 H 1 0.897 0.020 . 2 . . . A 123 LEU HD23 . 18262 1 1277 . 1 1 123 123 LEU CA C 13 58.118 0.3 . 1 . . . A 123 LEU CA . 18262 1 1278 . 1 1 123 123 LEU CB C 13 42.990 0.3 . 1 . . . A 123 LEU CB . 18262 1 1279 . 1 1 123 123 LEU CG C 13 26.794 0.3 . 1 . . . A 123 LEU CG . 18262 1 1280 . 1 1 123 123 LEU CD1 C 13 22.853 0.3 . 1 . . . A 123 LEU CD1 . 18262 1 1281 . 1 1 123 123 LEU CD2 C 13 26.240 0.3 . 1 . . . A 123 LEU CD2 . 18262 1 1282 . 1 1 123 123 LEU N N 15 120.702 0.3 . 1 . . . A 123 LEU N . 18262 1 1283 . 1 1 124 124 VAL H H 1 8.742 0.020 . 1 . . . A 124 VAL H . 18262 1 1284 . 1 1 124 124 VAL HA H 1 3.615 0.020 . 1 . . . A 124 VAL HA . 18262 1 1285 . 1 1 124 124 VAL HB H 1 2.203 0.020 . 1 . . . A 124 VAL HB . 18262 1 1286 . 1 1 124 124 VAL HG11 H 1 0.768 0.020 . 2 . . . A 124 VAL HG11 . 18262 1 1287 . 1 1 124 124 VAL HG12 H 1 0.768 0.020 . 2 . . . A 124 VAL HG12 . 18262 1 1288 . 1 1 124 124 VAL HG13 H 1 0.768 0.020 . 2 . . . A 124 VAL HG13 . 18262 1 1289 . 1 1 124 124 VAL HG21 H 1 1.209 0.020 . 2 . . . A 124 VAL HG21 . 18262 1 1290 . 1 1 124 124 VAL HG22 H 1 1.209 0.020 . 2 . . . A 124 VAL HG22 . 18262 1 1291 . 1 1 124 124 VAL HG23 H 1 1.209 0.020 . 2 . . . A 124 VAL HG23 . 18262 1 1292 . 1 1 124 124 VAL CA C 13 67.324 0.3 . 1 . . . A 124 VAL CA . 18262 1 1293 . 1 1 124 124 VAL CB C 13 31.553 0.3 . 1 . . . A 124 VAL CB . 18262 1 1294 . 1 1 124 124 VAL CG1 C 13 21.265 0.3 . 1 . . . A 124 VAL CG1 . 18262 1 1295 . 1 1 124 124 VAL CG2 C 13 23.826 0.3 . 1 . . . A 124 VAL CG2 . 18262 1 1296 . 1 1 124 124 VAL N N 15 118.840 0.3 . 1 . . . A 124 VAL N . 18262 1 1297 . 1 1 125 125 SER H H 1 7.883 0.020 . 1 . . . A 125 SER H . 18262 1 1298 . 1 1 125 125 SER HA H 1 4.050 0.020 . 1 . . . A 125 SER HA . 18262 1 1299 . 1 1 125 125 SER HB2 H 1 3.929 0.020 . 2 . . . A 125 SER HB2 . 18262 1 1300 . 1 1 125 125 SER HB3 H 1 4.016 0.020 . 2 . . . A 125 SER HB3 . 18262 1 1301 . 1 1 125 125 SER CA C 13 62.568 0.3 . 1 . . . A 125 SER CA . 18262 1 1302 . 1 1 125 125 SER CB C 13 62.960 0.3 . 1 . . . A 125 SER CB . 18262 1 1303 . 1 1 125 125 SER N N 15 112.613 0.3 . 1 . . . A 125 SER N . 18262 1 1304 . 1 1 126 126 MET H H 1 8.091 0.020 . 1 . . . A 126 MET H . 18262 1 1305 . 1 1 126 126 MET HA H 1 4.052 0.020 . 1 . . . A 126 MET HA . 18262 1 1306 . 1 1 126 126 MET HB2 H 1 2.006 0.020 . 2 . . . A 126 MET HB2 . 18262 1 1307 . 1 1 126 126 MET HB3 H 1 2.041 0.020 . 2 . . . A 126 MET HB3 . 18262 1 1308 . 1 1 126 126 MET HG2 H 1 2.516 0.020 . 2 . . . A 126 MET HG2 . 18262 1 1309 . 1 1 126 126 MET HG3 H 1 2.872 0.020 . 2 . . . A 126 MET HG3 . 18262 1 1310 . 1 1 126 126 MET HE1 H 1 1.820 0.020 . 1 . . . A 126 MET HE1 . 18262 1 1311 . 1 1 126 126 MET HE2 H 1 1.820 0.020 . 1 . . . A 126 MET HE2 . 18262 1 1312 . 1 1 126 126 MET HE3 H 1 1.820 0.020 . 1 . . . A 126 MET HE3 . 18262 1 1313 . 1 1 126 126 MET CA C 13 59.009 0.3 . 1 . . . A 126 MET CA . 18262 1 1314 . 1 1 126 126 MET CB C 13 32.780 0.3 . 1 . . . A 126 MET CB . 18262 1 1315 . 1 1 126 126 MET CG C 13 31.510 0.3 . 1 . . . A 126 MET CG . 18262 1 1316 . 1 1 126 126 MET CE C 13 15.650 0.3 . 1 . . . A 126 MET CE . 18262 1 1317 . 1 1 126 126 MET N N 15 120.939 0.3 . 1 . . . A 126 MET N . 18262 1 1318 . 1 1 127 127 PHE H H 1 8.755 0.020 . 1 . . . A 127 PHE H . 18262 1 1319 . 1 1 127 127 PHE HA H 1 4.465 0.020 . 1 . . . A 127 PHE HA . 18262 1 1320 . 1 1 127 127 PHE HB2 H 1 2.865 0.020 . 2 . . . A 127 PHE HB2 . 18262 1 1321 . 1 1 127 127 PHE HB3 H 1 3.279 0.020 . 2 . . . A 127 PHE HB3 . 18262 1 1322 . 1 1 127 127 PHE HD1 H 1 7.158 0.020 . 1 . . . A 127 PHE HD1 . 18262 1 1323 . 1 1 127 127 PHE HD2 H 1 7.158 0.020 . 1 . . . A 127 PHE HD2 . 18262 1 1324 . 1 1 127 127 PHE HE1 H 1 7.118 0.020 . 1 . . . A 127 PHE HE1 . 18262 1 1325 . 1 1 127 127 PHE HE2 H 1 7.118 0.020 . 1 . . . A 127 PHE HE2 . 18262 1 1326 . 1 1 127 127 PHE HZ H 1 7.114 0.020 . 1 . . . A 127 PHE HZ . 18262 1 1327 . 1 1 127 127 PHE CA C 13 60.596 0.3 . 1 . . . A 127 PHE CA . 18262 1 1328 . 1 1 127 127 PHE CB C 13 38.911 0.3 . 1 . . . A 127 PHE CB . 18262 1 1329 . 1 1 127 127 PHE CD1 C 13 131.302 0.3 . 1 . . . A 127 PHE CD1 . 18262 1 1330 . 1 1 127 127 PHE CD2 C 13 131.302 0.3 . 1 . . . A 127 PHE CD2 . 18262 1 1331 . 1 1 127 127 PHE CE1 C 13 131.156 0.3 . 1 . . . A 127 PHE CE1 . 18262 1 1332 . 1 1 127 127 PHE CE2 C 13 131.156 0.3 . 1 . . . A 127 PHE CE2 . 18262 1 1333 . 1 1 127 127 PHE CZ C 13 129.785 0.3 . 1 . . . A 127 PHE CZ . 18262 1 1334 . 1 1 127 127 PHE N N 15 118.732 0.3 . 1 . . . A 127 PHE N . 18262 1 1335 . 1 1 128 128 ALA H H 1 8.638 0.020 . 1 . . . A 128 ALA H . 18262 1 1336 . 1 1 128 128 ALA HA H 1 4.217 0.020 . 1 . . . A 128 ALA HA . 18262 1 1337 . 1 1 128 128 ALA HB1 H 1 1.541 0.020 . 1 . . . A 128 ALA HB1 . 18262 1 1338 . 1 1 128 128 ALA HB2 H 1 1.541 0.020 . 1 . . . A 128 ALA HB2 . 18262 1 1339 . 1 1 128 128 ALA HB3 H 1 1.541 0.020 . 1 . . . A 128 ALA HB3 . 18262 1 1340 . 1 1 128 128 ALA CA C 13 54.504 0.3 . 1 . . . A 128 ALA CA . 18262 1 1341 . 1 1 128 128 ALA CB C 13 19.557 0.3 . 1 . . . A 128 ALA CB . 18262 1 1342 . 1 1 128 128 ALA N N 15 121.647 0.3 . 1 . . . A 128 ALA N . 18262 1 1343 . 1 1 129 129 GLN H H 1 7.789 0.020 . 1 . . . A 129 GLN H . 18262 1 1344 . 1 1 129 129 GLN HA H 1 4.223 0.020 . 1 . . . A 129 GLN HA . 18262 1 1345 . 1 1 129 129 GLN HB2 H 1 2.106 0.020 . 2 . . . A 129 GLN HB2 . 18262 1 1346 . 1 1 129 129 GLN HB3 H 1 2.202 0.020 . 2 . . . A 129 GLN HB3 . 18262 1 1347 . 1 1 129 129 GLN HG2 H 1 2.372 0.020 . 2 . . . A 129 GLN HG2 . 18262 1 1348 . 1 1 129 129 GLN HG3 H 1 2.534 0.020 . 2 . . . A 129 GLN HG3 . 18262 1 1349 . 1 1 129 129 GLN HE21 H 1 7.282 0.020 . 1 . . . A 129 GLN HE21 . 18262 1 1350 . 1 1 129 129 GLN HE22 H 1 6.829 0.020 . 1 . . . A 129 GLN HE22 . 18262 1 1351 . 1 1 129 129 GLN CA C 13 57.240 0.3 . 1 . . . A 129 GLN CA . 18262 1 1352 . 1 1 129 129 GLN CB C 13 29.377 0.3 . 1 . . . A 129 GLN CB . 18262 1 1353 . 1 1 129 129 GLN CG C 13 34.552 0.3 . 1 . . . A 129 GLN CG . 18262 1 1354 . 1 1 129 129 GLN N N 15 115.892 0.3 . 1 . . . A 129 GLN N . 18262 1 1355 . 1 1 129 129 GLN NE2 N 15 111.792 0.3 . 1 . . . A 129 GLN NE2 . 18262 1 1356 . 1 1 130 130 ALA H H 1 7.791 0.020 . 1 . . . A 130 ALA H . 18262 1 1357 . 1 1 130 130 ALA HA H 1 4.271 0.020 . 1 . . . A 130 ALA HA . 18262 1 1358 . 1 1 130 130 ALA HB1 H 1 1.513 0.020 . 1 . . . A 130 ALA HB1 . 18262 1 1359 . 1 1 130 130 ALA HB2 H 1 1.513 0.020 . 1 . . . A 130 ALA HB2 . 18262 1 1360 . 1 1 130 130 ALA HB3 H 1 1.513 0.020 . 1 . . . A 130 ALA HB3 . 18262 1 1361 . 1 1 130 130 ALA CA C 13 53.907 0.3 . 1 . . . A 130 ALA CA . 18262 1 1362 . 1 1 130 130 ALA CB C 13 18.985 0.3 . 1 . . . A 130 ALA CB . 18262 1 1363 . 1 1 130 130 ALA N N 15 122.349 0.3 . 1 . . . A 130 ALA N . 18262 1 1364 . 1 1 131 131 GLY H H 1 8.157 0.020 . 1 . . . A 131 GLY H . 18262 1 1365 . 1 1 131 131 GLY HA2 H 1 3.933 0.020 . 2 . . . A 131 GLY HA2 . 18262 1 1366 . 1 1 131 131 GLY HA3 H 1 4.058 0.020 . 2 . . . A 131 GLY HA3 . 18262 1 1367 . 1 1 131 131 GLY CA C 13 45.772 0.3 . 1 . . . A 131 GLY CA . 18262 1 1368 . 1 1 131 131 GLY N N 15 106.497 0.3 . 1 . . . A 131 GLY N . 18262 1 1369 . 1 1 132 132 MET H H 1 7.929 0.020 . 1 . . . A 132 MET H . 18262 1 1370 . 1 1 132 132 MET HA H 1 4.473 0.020 . 1 . . . A 132 MET HA . 18262 1 1371 . 1 1 132 132 MET HB2 H 1 2.044 0.020 . 2 . . . A 132 MET HB2 . 18262 1 1372 . 1 1 132 132 MET HB3 H 1 2.151 0.020 . 2 . . . A 132 MET HB3 . 18262 1 1373 . 1 1 132 132 MET HG2 H 1 2.565 0.020 . 2 . . . A 132 MET HG2 . 18262 1 1374 . 1 1 132 132 MET HG3 H 1 2.658 0.020 . 2 . . . A 132 MET HG3 . 18262 1 1375 . 1 1 132 132 MET HE1 H 1 2.103 0.020 . 1 . . . A 132 MET HE1 . 18262 1 1376 . 1 1 132 132 MET HE2 H 1 2.103 0.020 . 1 . . . A 132 MET HE2 . 18262 1 1377 . 1 1 132 132 MET HE3 H 1 2.103 0.020 . 1 . . . A 132 MET HE3 . 18262 1 1378 . 1 1 132 132 MET CA C 13 55.973 0.3 . 1 . . . A 132 MET CA . 18262 1 1379 . 1 1 132 132 MET CB C 13 33.129 0.3 . 1 . . . A 132 MET CB . 18262 1 1380 . 1 1 132 132 MET CG C 13 32.267 0.3 . 1 . . . A 132 MET CG . 18262 1 1381 . 1 1 132 132 MET CE C 13 17.151 0.3 . 1 . . . A 132 MET CE . 18262 1 1382 . 1 1 132 132 MET N N 15 119.229 0.3 . 1 . . . A 132 MET N . 18262 1 1383 . 1 1 133 133 ASN H H 1 8.334 0.020 . 1 . . . A 133 ASN H . 18262 1 1384 . 1 1 133 133 ASN HA H 1 4.741 0.020 . 1 . . . A 133 ASN HA . 18262 1 1385 . 1 1 133 133 ASN HB2 H 1 2.741 0.020 . 2 . . . A 133 ASN HB2 . 18262 1 1386 . 1 1 133 133 ASN HB3 H 1 2.829 0.020 . 2 . . . A 133 ASN HB3 . 18262 1 1387 . 1 1 133 133 ASN HD21 H 1 7.608 0.020 . 1 . . . A 133 ASN HD21 . 18262 1 1388 . 1 1 133 133 ASN HD22 H 1 6.919 0.020 . 1 . . . A 133 ASN HD22 . 18262 1 1389 . 1 1 133 133 ASN CA C 13 53.368 0.3 . 1 . . . A 133 ASN CA . 18262 1 1390 . 1 1 133 133 ASN CB C 13 39.349 0.3 . 1 . . . A 133 ASN CB . 18262 1 1391 . 1 1 133 133 ASN N N 15 118.982 0.3 . 1 . . . A 133 ASN N . 18262 1 1392 . 1 1 133 133 ASN ND2 N 15 113.160 0.3 . 1 . . . A 133 ASN ND2 . 18262 1 1393 . 1 1 134 134 ASP H H 1 8.282 0.020 . 1 . . . A 134 ASP H . 18262 1 1394 . 1 1 134 134 ASP HA H 1 4.643 0.020 . 1 . . . A 134 ASP HA . 18262 1 1395 . 1 1 134 134 ASP HB2 H 1 2.628 0.020 . 2 . . . A 134 ASP HB2 . 18262 1 1396 . 1 1 134 134 ASP HB3 H 1 2.722 0.020 . 2 . . . A 134 ASP HB3 . 18262 1 1397 . 1 1 134 134 ASP CA C 13 54.507 0.3 . 1 . . . A 134 ASP CA . 18262 1 1398 . 1 1 134 134 ASP CB C 13 41.283 0.3 . 1 . . . A 134 ASP CB . 18262 1 1399 . 1 1 134 134 ASP N N 15 120.983 0.3 . 1 . . . A 134 ASP N . 18262 1 1400 . 1 1 135 135 VAL H H 1 8.080 0.020 . 1 . . . A 135 VAL H . 18262 1 1401 . 1 1 135 135 VAL HA H 1 4.197 0.020 . 1 . . . A 135 VAL HA . 18262 1 1402 . 1 1 135 135 VAL HB H 1 2.160 0.020 . 1 . . . A 135 VAL HB . 18262 1 1403 . 1 1 135 135 VAL HG11 H 1 0.938 0.020 . 2 . . . A 135 VAL HG11 . 18262 1 1404 . 1 1 135 135 VAL HG12 H 1 0.938 0.020 . 2 . . . A 135 VAL HG12 . 18262 1 1405 . 1 1 135 135 VAL HG13 H 1 0.938 0.020 . 2 . . . A 135 VAL HG13 . 18262 1 1406 . 1 1 135 135 VAL HG21 H 1 0.945 0.020 . 2 . . . A 135 VAL HG21 . 18262 1 1407 . 1 1 135 135 VAL HG22 H 1 0.945 0.020 . 2 . . . A 135 VAL HG22 . 18262 1 1408 . 1 1 135 135 VAL HG23 H 1 0.945 0.020 . 2 . . . A 135 VAL HG23 . 18262 1 1409 . 1 1 135 135 VAL CA C 13 62.327 0.3 . 1 . . . A 135 VAL CA . 18262 1 1410 . 1 1 135 135 VAL CB C 13 32.714 0.3 . 1 . . . A 135 VAL CB . 18262 1 1411 . 1 1 135 135 VAL CG1 C 13 20.364 0.3 . 1 . . . A 135 VAL CG1 . 18262 1 1412 . 1 1 135 135 VAL CG2 C 13 21.325 0.3 . 1 . . . A 135 VAL CG2 . 18262 1 1413 . 1 1 135 135 VAL N N 15 119.922 0.3 . 1 . . . A 135 VAL N . 18262 1 1414 . 1 1 136 136 SER H H 1 8.397 0.020 . 1 . . . A 136 SER H . 18262 1 1415 . 1 1 136 136 SER HA H 1 4.459 0.020 . 1 . . . A 136 SER HA . 18262 1 1416 . 1 1 136 136 SER HB2 H 1 3.870 0.020 . 1 . . . A 136 SER HB2 . 18262 1 1417 . 1 1 136 136 SER HB3 H 1 3.870 0.020 . 1 . . . A 136 SER HB3 . 18262 1 1418 . 1 1 136 136 SER CA C 13 58.412 0.3 . 1 . . . A 136 SER CA . 18262 1 1419 . 1 1 136 136 SER CB C 13 64.068 0.3 . 1 . . . A 136 SER CB . 18262 1 1420 . 1 1 136 136 SER N N 15 119.994 0.3 . 1 . . . A 136 SER N . 18262 1 1421 . 1 1 137 137 ALA H H 1 7.963 0.020 . 1 . . . A 137 ALA H . 18262 1 1422 . 1 1 137 137 ALA HA H 1 4.140 0.020 . 1 . . . A 137 ALA HA . 18262 1 1423 . 1 1 137 137 ALA HB1 H 1 1.341 0.020 . 1 . . . A 137 ALA HB1 . 18262 1 1424 . 1 1 137 137 ALA HB2 H 1 1.341 0.020 . 1 . . . A 137 ALA HB2 . 18262 1 1425 . 1 1 137 137 ALA HB3 H 1 1.341 0.020 . 1 . . . A 137 ALA HB3 . 18262 1 1426 . 1 1 137 137 ALA CA C 13 54.008 0.3 . 1 . . . A 137 ALA CA . 18262 1 1427 . 1 1 137 137 ALA CB C 13 20.329 0.3 . 1 . . . A 137 ALA CB . 18262 1 1428 . 1 1 137 137 ALA N N 15 131.905 0.3 . 1 . . . A 137 ALA N . 18262 1 stop_ save_