data_10317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10317 _Entry.Title ; Solution structure of the PH domain of pleckstrin homology domain-containing protein family A member 5 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10317 2 T. Tomizawa . . . 10317 3 S. Koshiba . . . 10317 4 M. Inoue . . . 10317 5 T. Kigawa . . . 10317 6 S. Yokoyama . . . 10317 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 558 10317 '15N chemical shifts' 117 10317 '1H chemical shifts' 869 10317 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-11 2009-03-11 original author . 10317 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DKP 'BMRB Entry Tracking System' 10317 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10317 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the PH domain of pleckstrin homology domain-containing protein family A member 5 from human" ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10317 1 2 T. Tomizawa . . . 10317 1 3 S. Koshiba . . . 10317 1 4 M. Inoue . . . 10317 1 5 T. Kigawa . . . 10317 1 6 S. Yokoyama . . . 10317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10317 _Assembly.ID 1 _Assembly.Name 'Pleckstrin homology domain-containing family A member 5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Pleckstrin homology domain-containing family A member 5' 1 $entity_1 . . yes native no no . . . 10317 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2DKP . . . . . . 10317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGKRSNSIKRNPNAP VVRRGWLYKQDSTGMKLWKK RWFVLSDLCLFYYRDEKEEG ILGSILLPSFQIALLTSEDH INRKYAFKAAHPNMRTYYFC TDTGKEMELWMKAMLDAALV QTSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DKP . "Solution Structure Of The Ph Domain Of Pleckstrin Homology Domain-Containing Protein Family A Member 5 From Human" . . . . . 100.00 128 100.00 100.00 1.45e-89 . . . . 10317 1 2 no DBJ BAB21777 . "KIAA1686 protein [Homo sapiens]" . . . . . 90.63 1174 100.00 100.00 6.19e-74 . . . . 10317 1 3 no DBJ BAC98233 . "mKIAA1686 protein [Mus musculus]" . . . . . 90.63 1205 98.28 100.00 6.79e-74 . . . . 10317 1 4 no DBJ BAG10115 . "pleckstrin homology domain-containing protein, family A member 5 [synthetic construct]" . . . . . 90.63 1174 100.00 100.00 6.19e-74 . . . . 10317 1 5 no DBJ BAG57882 . "unnamed protein product [Homo sapiens]" . . . . . 90.63 1098 100.00 100.00 3.69e-74 . . . . 10317 1 6 no DBJ BAG58167 . "unnamed protein product [Homo sapiens]" . . . . . 90.63 1183 100.00 100.00 9.98e-76 . . . . 10317 1 7 no GB AAG22817 . "phosphoinositol 3-phosphate-binding protein-2 [Homo sapiens]" . . . . . 90.63 1116 100.00 100.00 7.76e-74 . . . . 10317 1 8 no GB AAH00969 . "PLEKHA5 protein, partial [Homo sapiens]" . . . . . 88.28 492 100.00 100.00 1.71e-76 . . . . 10317 1 9 no GB AAH70174 . "PLEKHA5 protein, partial [Homo sapiens]" . . . . . 90.63 320 100.00 100.00 9.73e-80 . . . . 10317 1 10 no GB AAI27093 . "Pleckstrin homology domain containing, family A member 5 [Homo sapiens]" . . . . . 90.63 1116 100.00 100.00 7.76e-74 . . . . 10317 1 11 no GB AAM44231 . "phosphoinositol 3-phosphate-binding protein-2-like protein [Rattus norvegicus]" . . . . . 90.63 574 98.28 100.00 2.01e-77 . . . . 10317 1 12 no REF NP_001137293 . "pleckstrin homology domain-containing family A member 5 isoform 2 [Homo sapiens]" . . . . . 90.63 1174 100.00 100.00 6.19e-74 . . . . 10317 1 13 no REF NP_001243399 . "pleckstrin homology domain-containing family A member 5 isoform 4 [Homo sapiens]" . . . . . 90.63 1282 100.00 100.00 8.02e-74 . . . . 10317 1 14 no REF NP_001243716 . "pleckstrin homology domain-containing family A member 5 isoform 5 [Homo sapiens]" . . . . . 90.63 1098 100.00 100.00 3.69e-74 . . . . 10317 1 15 no REF NP_061885 . "pleckstrin homology domain-containing family A member 5 isoform 1 [Homo sapiens]" . . . . . 90.63 1116 100.00 100.00 7.76e-74 . . . . 10317 1 16 no REF NP_647556 . "pleckstrin homology domain-containing family A member 5 [Rattus norvegicus]" . . . . . 90.63 1281 98.28 100.00 3.04e-73 . . . . 10317 1 17 no SP Q9HAU0 . "RecName: Full=Pleckstrin homology domain-containing family A member 5; Short=PH domain-containing family A member 5; AltName: F" . . . . . 90.63 1116 100.00 100.00 7.76e-74 . . . . 10317 1 18 no TPG DAA29392 . "TPA: pleckstrin homology domain containing, family A member 5 [Bos taurus]" . . . . . 90.63 1099 100.00 100.00 1.63e-76 . . . . 10317 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10317 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10317 1 2 . SER . 10317 1 3 . SER . 10317 1 4 . GLY . 10317 1 5 . SER . 10317 1 6 . SER . 10317 1 7 . GLY . 10317 1 8 . LYS . 10317 1 9 . ARG . 10317 1 10 . SER . 10317 1 11 . ASN . 10317 1 12 . SER . 10317 1 13 . ILE . 10317 1 14 . LYS . 10317 1 15 . ARG . 10317 1 16 . ASN . 10317 1 17 . PRO . 10317 1 18 . ASN . 10317 1 19 . ALA . 10317 1 20 . PRO . 10317 1 21 . VAL . 10317 1 22 . VAL . 10317 1 23 . ARG . 10317 1 24 . ARG . 10317 1 25 . GLY . 10317 1 26 . TRP . 10317 1 27 . LEU . 10317 1 28 . TYR . 10317 1 29 . LYS . 10317 1 30 . GLN . 10317 1 31 . ASP . 10317 1 32 . SER . 10317 1 33 . THR . 10317 1 34 . GLY . 10317 1 35 . MET . 10317 1 36 . LYS . 10317 1 37 . LEU . 10317 1 38 . TRP . 10317 1 39 . LYS . 10317 1 40 . LYS . 10317 1 41 . ARG . 10317 1 42 . TRP . 10317 1 43 . PHE . 10317 1 44 . VAL . 10317 1 45 . LEU . 10317 1 46 . SER . 10317 1 47 . ASP . 10317 1 48 . LEU . 10317 1 49 . CYS . 10317 1 50 . LEU . 10317 1 51 . PHE . 10317 1 52 . TYR . 10317 1 53 . TYR . 10317 1 54 . ARG . 10317 1 55 . ASP . 10317 1 56 . GLU . 10317 1 57 . LYS . 10317 1 58 . GLU . 10317 1 59 . GLU . 10317 1 60 . GLY . 10317 1 61 . ILE . 10317 1 62 . LEU . 10317 1 63 . GLY . 10317 1 64 . SER . 10317 1 65 . ILE . 10317 1 66 . LEU . 10317 1 67 . LEU . 10317 1 68 . PRO . 10317 1 69 . SER . 10317 1 70 . PHE . 10317 1 71 . GLN . 10317 1 72 . ILE . 10317 1 73 . ALA . 10317 1 74 . LEU . 10317 1 75 . LEU . 10317 1 76 . THR . 10317 1 77 . SER . 10317 1 78 . GLU . 10317 1 79 . ASP . 10317 1 80 . HIS . 10317 1 81 . ILE . 10317 1 82 . ASN . 10317 1 83 . ARG . 10317 1 84 . LYS . 10317 1 85 . TYR . 10317 1 86 . ALA . 10317 1 87 . PHE . 10317 1 88 . LYS . 10317 1 89 . ALA . 10317 1 90 . ALA . 10317 1 91 . HIS . 10317 1 92 . PRO . 10317 1 93 . ASN . 10317 1 94 . MET . 10317 1 95 . ARG . 10317 1 96 . THR . 10317 1 97 . TYR . 10317 1 98 . TYR . 10317 1 99 . PHE . 10317 1 100 . CYS . 10317 1 101 . THR . 10317 1 102 . ASP . 10317 1 103 . THR . 10317 1 104 . GLY . 10317 1 105 . LYS . 10317 1 106 . GLU . 10317 1 107 . MET . 10317 1 108 . GLU . 10317 1 109 . LEU . 10317 1 110 . TRP . 10317 1 111 . MET . 10317 1 112 . LYS . 10317 1 113 . ALA . 10317 1 114 . MET . 10317 1 115 . LEU . 10317 1 116 . ASP . 10317 1 117 . ALA . 10317 1 118 . ALA . 10317 1 119 . LEU . 10317 1 120 . VAL . 10317 1 121 . GLN . 10317 1 122 . THR . 10317 1 123 . SER . 10317 1 124 . GLY . 10317 1 125 . PRO . 10317 1 126 . SER . 10317 1 127 . SER . 10317 1 128 . GLY . 10317 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 10317 1 . SER 2 2 10317 1 . SER 3 3 10317 1 . GLY 4 4 10317 1 . SER 5 5 10317 1 . SER 6 6 10317 1 . GLY 7 7 10317 1 . LYS 8 8 10317 1 . ARG 9 9 10317 1 . SER 10 10 10317 1 . ASN 11 11 10317 1 . SER 12 12 10317 1 . ILE 13 13 10317 1 . LYS 14 14 10317 1 . ARG 15 15 10317 1 . ASN 16 16 10317 1 . PRO 17 17 10317 1 . ASN 18 18 10317 1 . ALA 19 19 10317 1 . PRO 20 20 10317 1 . VAL 21 21 10317 1 . VAL 22 22 10317 1 . ARG 23 23 10317 1 . ARG 24 24 10317 1 . GLY 25 25 10317 1 . TRP 26 26 10317 1 . LEU 27 27 10317 1 . TYR 28 28 10317 1 . LYS 29 29 10317 1 . GLN 30 30 10317 1 . ASP 31 31 10317 1 . SER 32 32 10317 1 . THR 33 33 10317 1 . GLY 34 34 10317 1 . MET 35 35 10317 1 . LYS 36 36 10317 1 . LEU 37 37 10317 1 . TRP 38 38 10317 1 . LYS 39 39 10317 1 . LYS 40 40 10317 1 . ARG 41 41 10317 1 . TRP 42 42 10317 1 . PHE 43 43 10317 1 . VAL 44 44 10317 1 . LEU 45 45 10317 1 . SER 46 46 10317 1 . ASP 47 47 10317 1 . LEU 48 48 10317 1 . CYS 49 49 10317 1 . LEU 50 50 10317 1 . PHE 51 51 10317 1 . TYR 52 52 10317 1 . TYR 53 53 10317 1 . ARG 54 54 10317 1 . ASP 55 55 10317 1 . GLU 56 56 10317 1 . LYS 57 57 10317 1 . GLU 58 58 10317 1 . GLU 59 59 10317 1 . GLY 60 60 10317 1 . ILE 61 61 10317 1 . LEU 62 62 10317 1 . GLY 63 63 10317 1 . SER 64 64 10317 1 . ILE 65 65 10317 1 . LEU 66 66 10317 1 . LEU 67 67 10317 1 . PRO 68 68 10317 1 . SER 69 69 10317 1 . PHE 70 70 10317 1 . GLN 71 71 10317 1 . ILE 72 72 10317 1 . ALA 73 73 10317 1 . LEU 74 74 10317 1 . LEU 75 75 10317 1 . THR 76 76 10317 1 . SER 77 77 10317 1 . GLU 78 78 10317 1 . ASP 79 79 10317 1 . HIS 80 80 10317 1 . ILE 81 81 10317 1 . ASN 82 82 10317 1 . ARG 83 83 10317 1 . LYS 84 84 10317 1 . TYR 85 85 10317 1 . ALA 86 86 10317 1 . PHE 87 87 10317 1 . LYS 88 88 10317 1 . ALA 89 89 10317 1 . ALA 90 90 10317 1 . HIS 91 91 10317 1 . PRO 92 92 10317 1 . ASN 93 93 10317 1 . MET 94 94 10317 1 . ARG 95 95 10317 1 . THR 96 96 10317 1 . TYR 97 97 10317 1 . TYR 98 98 10317 1 . PHE 99 99 10317 1 . CYS 100 100 10317 1 . THR 101 101 10317 1 . ASP 102 102 10317 1 . THR 103 103 10317 1 . GLY 104 104 10317 1 . LYS 105 105 10317 1 . GLU 106 106 10317 1 . MET 107 107 10317 1 . GLU 108 108 10317 1 . LEU 109 109 10317 1 . TRP 110 110 10317 1 . MET 111 111 10317 1 . LYS 112 112 10317 1 . ALA 113 113 10317 1 . MET 114 114 10317 1 . LEU 115 115 10317 1 . ASP 116 116 10317 1 . ALA 117 117 10317 1 . ALA 118 118 10317 1 . LEU 119 119 10317 1 . VAL 120 120 10317 1 . GLN 121 121 10317 1 . THR 122 122 10317 1 . SER 123 123 10317 1 . GLY 124 124 10317 1 . PRO 125 125 10317 1 . SER 126 126 10317 1 . SER 127 127 10317 1 . GLY 128 128 10317 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 10317 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10317 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 10317 _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 $entity_1 . 'Cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P051025-03 . . . . . . 10317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10317 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.14 . . mM . . . 10317 10317 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . 10317 10317 1 3 NaCl . . . . . . salt 100 . . mM . . . 10317 10317 1 4 d-DTT . . . . . . salt 1 . . mM . . . 10317 10317 1 5 NaN3 . . . . . . salt 0.02 . . % . . . 10317 10317 1 6 H2O . . . . . . solvent 90 . . % . . . 10317 10317 1 7 D2O . . . . . . solvent 10 . . % . . . 10317 10317 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10317 _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' 120 0.1 mM 10317 1 pH 7.0 0.05 pH 10317 1 pressure 1 0.001 atm 10317 1 temperature 296 0.1 K 10317 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10317 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10317 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10317 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10317 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10317 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10317 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10317 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10317 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10317 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10317 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10317 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10317 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10317 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10317 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10317 5 'structure solution' 10317 5 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 10317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10317 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10317 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 10317 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10317 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10317 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10317 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10317 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10317 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10317 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10317 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10317 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 7 7 GLY HA2 H 1 3.961 0.030 . 1 . . . . 7 GLY HA2 . 10317 1 2 . 1 1 7 7 GLY HA3 H 1 3.961 0.030 . 1 . . . . 7 GLY HA3 . 10317 1 3 . 1 1 7 7 GLY C C 13 174.082 0.300 . 1 . . . . 7 GLY C . 10317 1 4 . 1 1 7 7 GLY CA C 13 45.371 0.300 . 1 . . . . 7 GLY CA . 10317 1 5 . 1 1 8 8 LYS H H 1 8.142 0.030 . 1 . . . . 8 LYS H . 10317 1 6 . 1 1 8 8 LYS HA H 1 4.331 0.030 . 1 . . . . 8 LYS HA . 10317 1 7 . 1 1 8 8 LYS HB2 H 1 1.828 0.030 . 2 . . . . 8 LYS HB2 . 10317 1 8 . 1 1 8 8 LYS HB3 H 1 1.746 0.030 . 2 . . . . 8 LYS HB3 . 10317 1 9 . 1 1 8 8 LYS HE2 H 1 2.973 0.030 . 1 . . . . 8 LYS HE2 . 10317 1 10 . 1 1 8 8 LYS HE3 H 1 2.973 0.030 . 1 . . . . 8 LYS HE3 . 10317 1 11 . 1 1 8 8 LYS HG2 H 1 1.428 0.030 . 1 . . . . 8 LYS HG2 . 10317 1 12 . 1 1 8 8 LYS HG3 H 1 1.428 0.030 . 1 . . . . 8 LYS HG3 . 10317 1 13 . 1 1 8 8 LYS C C 13 176.757 0.300 . 1 . . . . 8 LYS C . 10317 1 14 . 1 1 8 8 LYS CA C 13 56.328 0.300 . 1 . . . . 8 LYS CA . 10317 1 15 . 1 1 8 8 LYS CB C 13 33.126 0.300 . 1 . . . . 8 LYS CB . 10317 1 16 . 1 1 8 8 LYS CD C 13 29.143 0.300 . 1 . . . . 8 LYS CD . 10317 1 17 . 1 1 8 8 LYS CE C 13 42.129 0.300 . 1 . . . . 8 LYS CE . 10317 1 18 . 1 1 8 8 LYS CG C 13 24.622 0.300 . 1 . . . . 8 LYS CG . 10317 1 19 . 1 1 8 8 LYS N N 15 120.952 0.300 . 1 . . . . 8 LYS N . 10317 1 20 . 1 1 9 9 ARG H H 1 8.434 0.030 . 1 . . . . 9 ARG H . 10317 1 21 . 1 1 9 9 ARG HA H 1 4.383 0.030 . 1 . . . . 9 ARG HA . 10317 1 22 . 1 1 9 9 ARG HB2 H 1 1.885 0.030 . 2 . . . . 9 ARG HB2 . 10317 1 23 . 1 1 9 9 ARG HB3 H 1 1.785 0.030 . 2 . . . . 9 ARG HB3 . 10317 1 24 . 1 1 9 9 ARG HD2 H 1 3.212 0.030 . 1 . . . . 9 ARG HD2 . 10317 1 25 . 1 1 9 9 ARG HD3 H 1 3.212 0.030 . 1 . . . . 9 ARG HD3 . 10317 1 26 . 1 1 9 9 ARG HG2 H 1 1.647 0.030 . 1 . . . . 9 ARG HG2 . 10317 1 27 . 1 1 9 9 ARG HG3 H 1 1.647 0.030 . 1 . . . . 9 ARG HG3 . 10317 1 28 . 1 1 9 9 ARG C C 13 176.502 0.300 . 1 . . . . 9 ARG C . 10317 1 29 . 1 1 9 9 ARG CA C 13 56.152 0.300 . 1 . . . . 9 ARG CA . 10317 1 30 . 1 1 9 9 ARG CB C 13 30.951 0.300 . 1 . . . . 9 ARG CB . 10317 1 31 . 1 1 9 9 ARG CD C 13 43.366 0.300 . 1 . . . . 9 ARG CD . 10317 1 32 . 1 1 9 9 ARG CG C 13 27.183 0.300 . 1 . . . . 9 ARG CG . 10317 1 33 . 1 1 9 9 ARG N N 15 122.638 0.300 . 1 . . . . 9 ARG N . 10317 1 34 . 1 1 11 11 ASN HB2 H 1 2.792 0.030 . 1 . . . . 11 ASN HB2 . 10317 1 35 . 1 1 11 11 ASN HB3 H 1 2.792 0.030 . 1 . . . . 11 ASN HB3 . 10317 1 36 . 1 1 11 11 ASN HD21 H 1 7.615 0.030 . 2 . . . . 11 ASN HD21 . 10317 1 37 . 1 1 11 11 ASN HD22 H 1 6.905 0.030 . 2 . . . . 11 ASN HD22 . 10317 1 38 . 1 1 11 11 ASN ND2 N 15 112.912 0.300 . 1 . . . . 11 ASN ND2 . 10317 1 39 . 1 1 12 12 SER HA H 1 4.461 0.030 . 1 . . . . 12 SER HA . 10317 1 40 . 1 1 12 12 SER HB2 H 1 3.804 0.030 . 1 . . . . 12 SER HB2 . 10317 1 41 . 1 1 12 12 SER HB3 H 1 3.804 0.030 . 1 . . . . 12 SER HB3 . 10317 1 42 . 1 1 12 12 SER C C 13 173.922 0.300 . 1 . . . . 12 SER C . 10317 1 43 . 1 1 12 12 SER CA C 13 58.154 0.300 . 1 . . . . 12 SER CA . 10317 1 44 . 1 1 12 12 SER CB C 13 63.828 0.300 . 1 . . . . 12 SER CB . 10317 1 45 . 1 1 13 13 ILE H H 1 8.053 0.030 . 1 . . . . 13 ILE H . 10317 1 46 . 1 1 13 13 ILE HA H 1 4.185 0.030 . 1 . . . . 13 ILE HA . 10317 1 47 . 1 1 13 13 ILE HB H 1 1.815 0.030 . 1 . . . . 13 ILE HB . 10317 1 48 . 1 1 13 13 ILE HD11 H 1 0.861 0.030 . 1 . . . . 13 ILE HD1 . 10317 1 49 . 1 1 13 13 ILE HD12 H 1 0.861 0.030 . 1 . . . . 13 ILE HD1 . 10317 1 50 . 1 1 13 13 ILE HD13 H 1 0.861 0.030 . 1 . . . . 13 ILE HD1 . 10317 1 51 . 1 1 13 13 ILE HG12 H 1 1.505 0.030 . 2 . . . . 13 ILE HG12 . 10317 1 52 . 1 1 13 13 ILE HG13 H 1 1.183 0.030 . 2 . . . . 13 ILE HG13 . 10317 1 53 . 1 1 13 13 ILE HG21 H 1 0.988 0.030 . 1 . . . . 13 ILE HG2 . 10317 1 54 . 1 1 13 13 ILE HG22 H 1 0.988 0.030 . 1 . . . . 13 ILE HG2 . 10317 1 55 . 1 1 13 13 ILE HG23 H 1 0.988 0.030 . 1 . . . . 13 ILE HG2 . 10317 1 56 . 1 1 13 13 ILE C C 13 175.487 0.300 . 1 . . . . 13 ILE C . 10317 1 57 . 1 1 13 13 ILE CA C 13 61.052 0.300 . 1 . . . . 13 ILE CA . 10317 1 58 . 1 1 13 13 ILE CB C 13 38.801 0.300 . 1 . . . . 13 ILE CB . 10317 1 59 . 1 1 13 13 ILE CD1 C 13 13.358 0.300 . 1 . . . . 13 ILE CD1 . 10317 1 60 . 1 1 13 13 ILE CG1 C 13 27.663 0.300 . 1 . . . . 13 ILE CG1 . 10317 1 61 . 1 1 13 13 ILE CG2 C 13 18.047 0.300 . 1 . . . . 13 ILE CG2 . 10317 1 62 . 1 1 13 13 ILE N N 15 123.428 0.300 . 1 . . . . 13 ILE N . 10317 1 63 . 1 1 14 14 LYS H H 1 8.414 0.030 . 1 . . . . 14 LYS H . 10317 1 64 . 1 1 14 14 LYS HA H 1 4.416 0.030 . 1 . . . . 14 LYS HA . 10317 1 65 . 1 1 14 14 LYS HB2 H 1 1.671 0.030 . 2 . . . . 14 LYS HB2 . 10317 1 66 . 1 1 14 14 LYS HB3 H 1 1.750 0.030 . 2 . . . . 14 LYS HB3 . 10317 1 67 . 1 1 14 14 LYS HD2 H 1 1.656 0.030 . 1 . . . . 14 LYS HD2 . 10317 1 68 . 1 1 14 14 LYS HD3 H 1 1.656 0.030 . 1 . . . . 14 LYS HD3 . 10317 1 69 . 1 1 14 14 LYS HE2 H 1 2.984 0.030 . 1 . . . . 14 LYS HE2 . 10317 1 70 . 1 1 14 14 LYS HE3 H 1 2.984 0.030 . 1 . . . . 14 LYS HE3 . 10317 1 71 . 1 1 14 14 LYS HG2 H 1 1.413 0.030 . 2 . . . . 14 LYS HG2 . 10317 1 72 . 1 1 14 14 LYS HG3 H 1 1.357 0.030 . 2 . . . . 14 LYS HG3 . 10317 1 73 . 1 1 14 14 LYS C C 13 175.519 0.300 . 1 . . . . 14 LYS C . 10317 1 74 . 1 1 14 14 LYS CA C 13 55.099 0.300 . 1 . . . . 14 LYS CA . 10317 1 75 . 1 1 14 14 LYS CB C 13 33.992 0.300 . 1 . . . . 14 LYS CB . 10317 1 76 . 1 1 14 14 LYS CD C 13 29.061 0.300 . 1 . . . . 14 LYS CD . 10317 1 77 . 1 1 14 14 LYS CE C 13 42.129 0.300 . 1 . . . . 14 LYS CE . 10317 1 78 . 1 1 14 14 LYS CG C 13 24.567 0.300 . 1 . . . . 14 LYS CG . 10317 1 79 . 1 1 14 14 LYS N N 15 125.803 0.300 . 1 . . . . 14 LYS N . 10317 1 80 . 1 1 15 15 ARG H H 1 8.075 0.030 . 1 . . . . 15 ARG H . 10317 1 81 . 1 1 15 15 ARG HA H 1 3.906 0.030 . 1 . . . . 15 ARG HA . 10317 1 82 . 1 1 15 15 ARG HB2 H 1 1.248 0.030 . 2 . . . . 15 ARG HB2 . 10317 1 83 . 1 1 15 15 ARG HB3 H 1 0.401 0.030 . 2 . . . . 15 ARG HB3 . 10317 1 84 . 1 1 15 15 ARG HD2 H 1 2.255 0.030 . 2 . . . . 15 ARG HD2 . 10317 1 85 . 1 1 15 15 ARG HD3 H 1 2.534 0.030 . 2 . . . . 15 ARG HD3 . 10317 1 86 . 1 1 15 15 ARG HE H 1 7.125 0.030 . 1 . . . . 15 ARG HE . 10317 1 87 . 1 1 15 15 ARG HG2 H 1 1.000 0.030 . 2 . . . . 15 ARG HG2 . 10317 1 88 . 1 1 15 15 ARG HG3 H 1 0.802 0.030 . 2 . . . . 15 ARG HG3 . 10317 1 89 . 1 1 15 15 ARG C C 13 175.688 0.300 . 1 . . . . 15 ARG C . 10317 1 90 . 1 1 15 15 ARG CA C 13 55.502 0.300 . 1 . . . . 15 ARG CA . 10317 1 91 . 1 1 15 15 ARG CB C 13 30.214 0.300 . 1 . . . . 15 ARG CB . 10317 1 92 . 1 1 15 15 ARG CD C 13 43.331 0.300 . 1 . . . . 15 ARG CD . 10317 1 93 . 1 1 15 15 ARG CG C 13 26.924 0.300 . 1 . . . . 15 ARG CG . 10317 1 94 . 1 1 15 15 ARG N N 15 123.857 0.300 . 1 . . . . 15 ARG N . 10317 1 95 . 1 1 15 15 ARG NE N 15 83.525 0.300 . 1 . . . . 15 ARG NE . 10317 1 96 . 1 1 16 16 ASN H H 1 9.302 0.030 . 1 . . . . 16 ASN H . 10317 1 97 . 1 1 16 16 ASN HA H 1 4.995 0.030 . 1 . . . . 16 ASN HA . 10317 1 98 . 1 1 16 16 ASN HB2 H 1 2.945 0.030 . 2 . . . . 16 ASN HB2 . 10317 1 99 . 1 1 16 16 ASN HB3 H 1 3.110 0.030 . 2 . . . . 16 ASN HB3 . 10317 1 100 . 1 1 16 16 ASN HD21 H 1 7.162 0.030 . 2 . . . . 16 ASN HD21 . 10317 1 101 . 1 1 16 16 ASN HD22 H 1 8.106 0.030 . 2 . . . . 16 ASN HD22 . 10317 1 102 . 1 1 16 16 ASN C C 13 175.582 0.300 . 1 . . . . 16 ASN C . 10317 1 103 . 1 1 16 16 ASN CA C 13 49.796 0.300 . 1 . . . . 16 ASN CA . 10317 1 104 . 1 1 16 16 ASN CB C 13 38.809 0.300 . 1 . . . . 16 ASN CB . 10317 1 105 . 1 1 16 16 ASN N N 15 127.362 0.300 . 1 . . . . 16 ASN N . 10317 1 106 . 1 1 16 16 ASN ND2 N 15 112.975 0.300 . 1 . . . . 16 ASN ND2 . 10317 1 107 . 1 1 17 17 PRO HA H 1 4.195 0.030 . 1 . . . . 17 PRO HA . 10317 1 108 . 1 1 17 17 PRO HB2 H 1 2.275 0.030 . 2 . . . . 17 PRO HB2 . 10317 1 109 . 1 1 17 17 PRO HB3 H 1 1.936 0.030 . 2 . . . . 17 PRO HB3 . 10317 1 110 . 1 1 17 17 PRO HD2 H 1 3.994 0.030 . 1 . . . . 17 PRO HD2 . 10317 1 111 . 1 1 17 17 PRO HD3 H 1 3.994 0.030 . 1 . . . . 17 PRO HD3 . 10317 1 112 . 1 1 17 17 PRO HG2 H 1 1.929 0.030 . 2 . . . . 17 PRO HG2 . 10317 1 113 . 1 1 17 17 PRO HG3 H 1 2.011 0.030 . 2 . . . . 17 PRO HG3 . 10317 1 114 . 1 1 17 17 PRO C C 13 176.658 0.300 . 1 . . . . 17 PRO C . 10317 1 115 . 1 1 17 17 PRO CA C 13 64.265 0.300 . 1 . . . . 17 PRO CA . 10317 1 116 . 1 1 17 17 PRO CB C 13 32.102 0.300 . 1 . . . . 17 PRO CB . 10317 1 117 . 1 1 17 17 PRO CD C 13 51.315 0.300 . 1 . . . . 17 PRO CD . 10317 1 118 . 1 1 17 17 PRO CG C 13 26.797 0.300 . 1 . . . . 17 PRO CG . 10317 1 119 . 1 1 18 18 ASN H H 1 7.961 0.030 . 1 . . . . 18 ASN H . 10317 1 120 . 1 1 18 18 ASN HA H 1 4.712 0.030 . 1 . . . . 18 ASN HA . 10317 1 121 . 1 1 18 18 ASN HB2 H 1 2.905 0.030 . 2 . . . . 18 ASN HB2 . 10317 1 122 . 1 1 18 18 ASN HB3 H 1 2.615 0.030 . 2 . . . . 18 ASN HB3 . 10317 1 123 . 1 1 18 18 ASN HD21 H 1 7.674 0.030 . 2 . . . . 18 ASN HD21 . 10317 1 124 . 1 1 18 18 ASN HD22 H 1 7.006 0.030 . 2 . . . . 18 ASN HD22 . 10317 1 125 . 1 1 18 18 ASN C C 13 174.946 0.300 . 1 . . . . 18 ASN C . 10317 1 126 . 1 1 18 18 ASN CA C 13 52.956 0.300 . 1 . . . . 18 ASN CA . 10317 1 127 . 1 1 18 18 ASN CB C 13 39.268 0.300 . 1 . . . . 18 ASN CB . 10317 1 128 . 1 1 18 18 ASN N N 15 114.360 0.300 . 1 . . . . 18 ASN N . 10317 1 129 . 1 1 18 18 ASN ND2 N 15 114.080 0.300 . 1 . . . . 18 ASN ND2 . 10317 1 130 . 1 1 19 19 ALA H H 1 7.280 0.030 . 1 . . . . 19 ALA H . 10317 1 131 . 1 1 19 19 ALA HA H 1 4.627 0.030 . 1 . . . . 19 ALA HA . 10317 1 132 . 1 1 19 19 ALA HB1 H 1 1.424 0.030 . 1 . . . . 19 ALA HB . 10317 1 133 . 1 1 19 19 ALA HB2 H 1 1.424 0.030 . 1 . . . . 19 ALA HB . 10317 1 134 . 1 1 19 19 ALA HB3 H 1 1.424 0.030 . 1 . . . . 19 ALA HB . 10317 1 135 . 1 1 19 19 ALA C C 13 175.316 0.300 . 1 . . . . 19 ALA C . 10317 1 136 . 1 1 19 19 ALA CA C 13 50.179 0.300 . 1 . . . . 19 ALA CA . 10317 1 137 . 1 1 19 19 ALA CB C 13 18.656 0.300 . 1 . . . . 19 ALA CB . 10317 1 138 . 1 1 19 19 ALA N N 15 124.837 0.300 . 1 . . . . 19 ALA N . 10317 1 139 . 1 1 20 20 PRO HA H 1 4.383 0.030 . 1 . . . . 20 PRO HA . 10317 1 140 . 1 1 20 20 PRO HB2 H 1 2.314 0.030 . 2 . . . . 20 PRO HB2 . 10317 1 141 . 1 1 20 20 PRO HB3 H 1 1.795 0.030 . 2 . . . . 20 PRO HB3 . 10317 1 142 . 1 1 20 20 PRO HD2 H 1 3.709 0.030 . 2 . . . . 20 PRO HD2 . 10317 1 143 . 1 1 20 20 PRO HD3 H 1 3.905 0.030 . 2 . . . . 20 PRO HD3 . 10317 1 144 . 1 1 20 20 PRO HG2 H 1 2.085 0.030 . 2 . . . . 20 PRO HG2 . 10317 1 145 . 1 1 20 20 PRO HG3 H 1 2.049 0.030 . 2 . . . . 20 PRO HG3 . 10317 1 146 . 1 1 20 20 PRO C C 13 177.399 0.300 . 1 . . . . 20 PRO C . 10317 1 147 . 1 1 20 20 PRO CA C 13 62.787 0.300 . 1 . . . . 20 PRO CA . 10317 1 148 . 1 1 20 20 PRO CB C 13 32.149 0.300 . 1 . . . . 20 PRO CB . 10317 1 149 . 1 1 20 20 PRO CD C 13 50.644 0.300 . 1 . . . . 20 PRO CD . 10317 1 150 . 1 1 20 20 PRO CG C 13 27.528 0.300 . 1 . . . . 20 PRO CG . 10317 1 151 . 1 1 21 21 VAL H H 1 8.985 0.030 . 1 . . . . 21 VAL H . 10317 1 152 . 1 1 21 21 VAL HA H 1 4.184 0.030 . 1 . . . . 21 VAL HA . 10317 1 153 . 1 1 21 21 VAL HB H 1 1.959 0.030 . 1 . . . . 21 VAL HB . 10317 1 154 . 1 1 21 21 VAL HG11 H 1 0.775 0.030 . 1 . . . . 21 VAL HG1 . 10317 1 155 . 1 1 21 21 VAL HG12 H 1 0.775 0.030 . 1 . . . . 21 VAL HG1 . 10317 1 156 . 1 1 21 21 VAL HG13 H 1 0.775 0.030 . 1 . . . . 21 VAL HG1 . 10317 1 157 . 1 1 21 21 VAL HG21 H 1 0.915 0.030 . 1 . . . . 21 VAL HG2 . 10317 1 158 . 1 1 21 21 VAL HG22 H 1 0.915 0.030 . 1 . . . . 21 VAL HG2 . 10317 1 159 . 1 1 21 21 VAL HG23 H 1 0.915 0.030 . 1 . . . . 21 VAL HG2 . 10317 1 160 . 1 1 21 21 VAL C C 13 176.241 0.300 . 1 . . . . 21 VAL C . 10317 1 161 . 1 1 21 21 VAL CA C 13 62.193 0.300 . 1 . . . . 21 VAL CA . 10317 1 162 . 1 1 21 21 VAL CB C 13 33.069 0.300 . 1 . . . . 21 VAL CB . 10317 1 163 . 1 1 21 21 VAL CG1 C 13 22.297 0.300 . 2 . . . . 21 VAL CG1 . 10317 1 164 . 1 1 21 21 VAL CG2 C 13 22.156 0.300 . 2 . . . . 21 VAL CG2 . 10317 1 165 . 1 1 21 21 VAL N N 15 126.202 0.300 . 1 . . . . 21 VAL N . 10317 1 166 . 1 1 22 22 VAL H H 1 8.818 0.030 . 1 . . . . 22 VAL H . 10317 1 167 . 1 1 22 22 VAL HA H 1 3.763 0.030 . 1 . . . . 22 VAL HA . 10317 1 168 . 1 1 22 22 VAL HB H 1 1.755 0.030 . 1 . . . . 22 VAL HB . 10317 1 169 . 1 1 22 22 VAL HG11 H 1 0.968 0.030 . 1 . . . . 22 VAL HG1 . 10317 1 170 . 1 1 22 22 VAL HG12 H 1 0.968 0.030 . 1 . . . . 22 VAL HG1 . 10317 1 171 . 1 1 22 22 VAL HG13 H 1 0.968 0.030 . 1 . . . . 22 VAL HG1 . 10317 1 172 . 1 1 22 22 VAL HG21 H 1 1.050 0.030 . 1 . . . . 22 VAL HG2 . 10317 1 173 . 1 1 22 22 VAL HG22 H 1 1.050 0.030 . 1 . . . . 22 VAL HG2 . 10317 1 174 . 1 1 22 22 VAL HG23 H 1 1.050 0.030 . 1 . . . . 22 VAL HG2 . 10317 1 175 . 1 1 22 22 VAL C C 13 176.191 0.300 . 1 . . . . 22 VAL C . 10317 1 176 . 1 1 22 22 VAL CA C 13 64.862 0.300 . 1 . . . . 22 VAL CA . 10317 1 177 . 1 1 22 22 VAL CB C 13 33.047 0.300 . 1 . . . . 22 VAL CB . 10317 1 178 . 1 1 22 22 VAL CG1 C 13 20.716 0.300 . 2 . . . . 22 VAL CG1 . 10317 1 179 . 1 1 22 22 VAL CG2 C 13 21.787 0.300 . 2 . . . . 22 VAL CG2 . 10317 1 180 . 1 1 22 22 VAL N N 15 129.381 0.300 . 1 . . . . 22 VAL N . 10317 1 181 . 1 1 23 23 ARG H H 1 7.040 0.030 . 1 . . . . 23 ARG H . 10317 1 182 . 1 1 23 23 ARG HA H 1 4.167 0.030 . 1 . . . . 23 ARG HA . 10317 1 183 . 1 1 23 23 ARG HB2 H 1 0.664 0.030 . 2 . . . . 23 ARG HB2 . 10317 1 184 . 1 1 23 23 ARG HB3 H 1 1.196 0.030 . 2 . . . . 23 ARG HB3 . 10317 1 185 . 1 1 23 23 ARG HD2 H 1 2.202 0.030 . 2 . . . . 23 ARG HD2 . 10317 1 186 . 1 1 23 23 ARG HD3 H 1 1.158 0.030 . 2 . . . . 23 ARG HD3 . 10317 1 187 . 1 1 23 23 ARG HG2 H 1 -0.116 0.030 . 2 . . . . 23 ARG HG2 . 10317 1 188 . 1 1 23 23 ARG HG3 H 1 0.924 0.030 . 2 . . . . 23 ARG HG3 . 10317 1 189 . 1 1 23 23 ARG C C 13 171.892 0.300 . 1 . . . . 23 ARG C . 10317 1 190 . 1 1 23 23 ARG CA C 13 55.556 0.300 . 1 . . . . 23 ARG CA . 10317 1 191 . 1 1 23 23 ARG CB C 13 32.254 0.300 . 1 . . . . 23 ARG CB . 10317 1 192 . 1 1 23 23 ARG CD C 13 42.695 0.300 . 1 . . . . 23 ARG CD . 10317 1 193 . 1 1 23 23 ARG CG C 13 26.827 0.300 . 1 . . . . 23 ARG CG . 10317 1 194 . 1 1 23 23 ARG N N 15 116.629 0.300 . 1 . . . . 23 ARG N . 10317 1 195 . 1 1 24 24 ARG H H 1 8.094 0.030 . 1 . . . . 24 ARG H . 10317 1 196 . 1 1 24 24 ARG HA H 1 5.586 0.030 . 1 . . . . 24 ARG HA . 10317 1 197 . 1 1 24 24 ARG HB2 H 1 1.548 0.030 . 2 . . . . 24 ARG HB2 . 10317 1 198 . 1 1 24 24 ARG HB3 H 1 1.793 0.030 . 2 . . . . 24 ARG HB3 . 10317 1 199 . 1 1 24 24 ARG HD2 H 1 3.354 0.030 . 2 . . . . 24 ARG HD2 . 10317 1 200 . 1 1 24 24 ARG HD3 H 1 3.485 0.030 . 2 . . . . 24 ARG HD3 . 10317 1 201 . 1 1 24 24 ARG HG2 H 1 1.587 0.030 . 1 . . . . 24 ARG HG2 . 10317 1 202 . 1 1 24 24 ARG HG3 H 1 1.587 0.030 . 1 . . . . 24 ARG HG3 . 10317 1 203 . 1 1 24 24 ARG C C 13 174.286 0.300 . 1 . . . . 24 ARG C . 10317 1 204 . 1 1 24 24 ARG CA C 13 52.992 0.300 . 1 . . . . 24 ARG CA . 10317 1 205 . 1 1 24 24 ARG CB C 13 34.075 0.300 . 1 . . . . 24 ARG CB . 10317 1 206 . 1 1 24 24 ARG CD C 13 44.463 0.300 . 1 . . . . 24 ARG CD . 10317 1 207 . 1 1 24 24 ARG CG C 13 25.577 0.300 . 1 . . . . 24 ARG CG . 10317 1 208 . 1 1 24 24 ARG N N 15 121.168 0.300 . 1 . . . . 24 ARG N . 10317 1 209 . 1 1 25 25 GLY H H 1 8.162 0.030 . 1 . . . . 25 GLY H . 10317 1 210 . 1 1 25 25 GLY HA2 H 1 2.493 0.030 . 2 . . . . 25 GLY HA2 . 10317 1 211 . 1 1 25 25 GLY HA3 H 1 4.033 0.030 . 2 . . . . 25 GLY HA3 . 10317 1 212 . 1 1 25 25 GLY C C 13 171.362 0.300 . 1 . . . . 25 GLY C . 10317 1 213 . 1 1 25 25 GLY CA C 13 44.561 0.300 . 1 . . . . 25 GLY CA . 10317 1 214 . 1 1 25 25 GLY N N 15 108.975 0.300 . 1 . . . . 25 GLY N . 10317 1 215 . 1 1 26 26 TRP H H 1 8.318 0.030 . 1 . . . . 26 TRP H . 10317 1 216 . 1 1 26 26 TRP HA H 1 5.381 0.030 . 1 . . . . 26 TRP HA . 10317 1 217 . 1 1 26 26 TRP HB2 H 1 3.293 0.030 . 2 . . . . 26 TRP HB2 . 10317 1 218 . 1 1 26 26 TRP HB3 H 1 2.995 0.030 . 2 . . . . 26 TRP HB3 . 10317 1 219 . 1 1 26 26 TRP HD1 H 1 7.702 0.030 . 1 . . . . 26 TRP HD1 . 10317 1 220 . 1 1 26 26 TRP HE1 H 1 10.522 0.030 . 1 . . . . 26 TRP HE1 . 10317 1 221 . 1 1 26 26 TRP HE3 H 1 7.616 0.030 . 1 . . . . 26 TRP HE3 . 10317 1 222 . 1 1 26 26 TRP HH2 H 1 7.414 0.030 . 1 . . . . 26 TRP HH2 . 10317 1 223 . 1 1 26 26 TRP HZ2 H 1 7.706 0.030 . 1 . . . . 26 TRP HZ2 . 10317 1 224 . 1 1 26 26 TRP HZ3 H 1 7.172 0.030 . 1 . . . . 26 TRP HZ3 . 10317 1 225 . 1 1 26 26 TRP C C 13 177.288 0.300 . 1 . . . . 26 TRP C . 10317 1 226 . 1 1 26 26 TRP CA C 13 57.100 0.300 . 1 . . . . 26 TRP CA . 10317 1 227 . 1 1 26 26 TRP CB C 13 31.257 0.300 . 1 . . . . 26 TRP CB . 10317 1 228 . 1 1 26 26 TRP CD1 C 13 128.915 0.300 . 1 . . . . 26 TRP CD1 . 10317 1 229 . 1 1 26 26 TRP CE3 C 13 120.804 0.300 . 1 . . . . 26 TRP CE3 . 10317 1 230 . 1 1 26 26 TRP CH2 C 13 124.418 0.300 . 1 . . . . 26 TRP CH2 . 10317 1 231 . 1 1 26 26 TRP CZ2 C 13 115.837 0.300 . 1 . . . . 26 TRP CZ2 . 10317 1 232 . 1 1 26 26 TRP CZ3 C 13 121.950 0.300 . 1 . . . . 26 TRP CZ3 . 10317 1 233 . 1 1 26 26 TRP N N 15 120.091 0.300 . 1 . . . . 26 TRP N . 10317 1 234 . 1 1 26 26 TRP NE1 N 15 130.293 0.300 . 1 . . . . 26 TRP NE1 . 10317 1 235 . 1 1 27 27 LEU H H 1 9.395 0.030 . 1 . . . . 27 LEU H . 10317 1 236 . 1 1 27 27 LEU HA H 1 4.354 0.030 . 1 . . . . 27 LEU HA . 10317 1 237 . 1 1 27 27 LEU HB2 H 1 0.495 0.030 . 2 . . . . 27 LEU HB2 . 10317 1 238 . 1 1 27 27 LEU HB3 H 1 1.063 0.030 . 2 . . . . 27 LEU HB3 . 10317 1 239 . 1 1 27 27 LEU HD11 H 1 -0.169 0.030 . 1 . . . . 27 LEU HD1 . 10317 1 240 . 1 1 27 27 LEU HD12 H 1 -0.169 0.030 . 1 . . . . 27 LEU HD1 . 10317 1 241 . 1 1 27 27 LEU HD13 H 1 -0.169 0.030 . 1 . . . . 27 LEU HD1 . 10317 1 242 . 1 1 27 27 LEU HD21 H 1 -1.483 0.030 . 1 . . . . 27 LEU HD2 . 10317 1 243 . 1 1 27 27 LEU HD22 H 1 -1.483 0.030 . 1 . . . . 27 LEU HD2 . 10317 1 244 . 1 1 27 27 LEU HD23 H 1 -1.483 0.030 . 1 . . . . 27 LEU HD2 . 10317 1 245 . 1 1 27 27 LEU HG H 1 0.745 0.030 . 1 . . . . 27 LEU HG . 10317 1 246 . 1 1 27 27 LEU C C 13 174.807 0.300 . 1 . . . . 27 LEU C . 10317 1 247 . 1 1 27 27 LEU CA C 13 55.643 0.300 . 1 . . . . 27 LEU CA . 10317 1 248 . 1 1 27 27 LEU CB C 13 44.444 0.300 . 1 . . . . 27 LEU CB . 10317 1 249 . 1 1 27 27 LEU CD1 C 13 23.775 0.300 . 2 . . . . 27 LEU CD1 . 10317 1 250 . 1 1 27 27 LEU CD2 C 13 23.782 0.300 . 2 . . . . 27 LEU CD2 . 10317 1 251 . 1 1 27 27 LEU CG C 13 25.744 0.300 . 1 . . . . 27 LEU CG . 10317 1 252 . 1 1 27 27 LEU N N 15 124.339 0.300 . 1 . . . . 27 LEU N . 10317 1 253 . 1 1 28 28 TYR H H 1 8.656 0.030 . 1 . . . . 28 TYR H . 10317 1 254 . 1 1 28 28 TYR HA H 1 5.664 0.030 . 1 . . . . 28 TYR HA . 10317 1 255 . 1 1 28 28 TYR HB2 H 1 2.645 0.030 . 2 . . . . 28 TYR HB2 . 10317 1 256 . 1 1 28 28 TYR HB3 H 1 3.765 0.030 . 2 . . . . 28 TYR HB3 . 10317 1 257 . 1 1 28 28 TYR HD1 H 1 7.006 0.030 . 1 . . . . 28 TYR HD1 . 10317 1 258 . 1 1 28 28 TYR HD2 H 1 7.006 0.030 . 1 . . . . 28 TYR HD2 . 10317 1 259 . 1 1 28 28 TYR HE1 H 1 6.777 0.030 . 1 . . . . 28 TYR HE1 . 10317 1 260 . 1 1 28 28 TYR HE2 H 1 6.777 0.030 . 1 . . . . 28 TYR HE2 . 10317 1 261 . 1 1 28 28 TYR C C 13 175.958 0.300 . 1 . . . . 28 TYR C . 10317 1 262 . 1 1 28 28 TYR CA C 13 56.995 0.300 . 1 . . . . 28 TYR CA . 10317 1 263 . 1 1 28 28 TYR CB C 13 40.157 0.300 . 1 . . . . 28 TYR CB . 10317 1 264 . 1 1 28 28 TYR CD1 C 13 133.732 0.300 . 1 . . . . 28 TYR CD1 . 10317 1 265 . 1 1 28 28 TYR CD2 C 13 133.732 0.300 . 1 . . . . 28 TYR CD2 . 10317 1 266 . 1 1 28 28 TYR CE1 C 13 117.912 0.300 . 1 . . . . 28 TYR CE1 . 10317 1 267 . 1 1 28 28 TYR CE2 C 13 117.912 0.300 . 1 . . . . 28 TYR CE2 . 10317 1 268 . 1 1 28 28 TYR N N 15 121.481 0.300 . 1 . . . . 28 TYR N . 10317 1 269 . 1 1 29 29 LYS H H 1 9.094 0.030 . 1 . . . . 29 LYS H . 10317 1 270 . 1 1 29 29 LYS HA H 1 5.424 0.030 . 1 . . . . 29 LYS HA . 10317 1 271 . 1 1 29 29 LYS HB2 H 1 1.620 0.030 . 2 . . . . 29 LYS HB2 . 10317 1 272 . 1 1 29 29 LYS HB3 H 1 1.533 0.030 . 2 . . . . 29 LYS HB3 . 10317 1 273 . 1 1 29 29 LYS HD2 H 1 1.155 0.030 . 2 . . . . 29 LYS HD2 . 10317 1 274 . 1 1 29 29 LYS HD3 H 1 1.452 0.030 . 2 . . . . 29 LYS HD3 . 10317 1 275 . 1 1 29 29 LYS HE2 H 1 2.747 0.030 . 2 . . . . 29 LYS HE2 . 10317 1 276 . 1 1 29 29 LYS HE3 H 1 2.670 0.030 . 2 . . . . 29 LYS HE3 . 10317 1 277 . 1 1 29 29 LYS HG2 H 1 1.449 0.030 . 1 . . . . 29 LYS HG2 . 10317 1 278 . 1 1 29 29 LYS HG3 H 1 1.449 0.030 . 1 . . . . 29 LYS HG3 . 10317 1 279 . 1 1 29 29 LYS C C 13 176.874 0.300 . 1 . . . . 29 LYS C . 10317 1 280 . 1 1 29 29 LYS CA C 13 53.905 0.300 . 1 . . . . 29 LYS CA . 10317 1 281 . 1 1 29 29 LYS CB C 13 35.912 0.300 . 1 . . . . 29 LYS CB . 10317 1 282 . 1 1 29 29 LYS CD C 13 29.127 0.300 . 1 . . . . 29 LYS CD . 10317 1 283 . 1 1 29 29 LYS CE C 13 40.227 0.300 . 1 . . . . 29 LYS CE . 10317 1 284 . 1 1 29 29 LYS CG C 13 23.060 0.300 . 1 . . . . 29 LYS CG . 10317 1 285 . 1 1 29 29 LYS N N 15 120.184 0.300 . 1 . . . . 29 LYS N . 10317 1 286 . 1 1 30 30 GLN H H 1 8.304 0.030 . 1 . . . . 30 GLN H . 10317 1 287 . 1 1 30 30 GLN HA H 1 3.735 0.030 . 1 . . . . 30 GLN HA . 10317 1 288 . 1 1 30 30 GLN HB2 H 1 1.364 0.030 . 2 . . . . 30 GLN HB2 . 10317 1 289 . 1 1 30 30 GLN HB3 H 1 -0.497 0.030 . 2 . . . . 30 GLN HB3 . 10317 1 290 . 1 1 30 30 GLN HE21 H 1 6.116 0.030 . 1 . . . . 30 GLN HE21 . 10317 1 291 . 1 1 30 30 GLN HE22 H 1 6.116 0.030 . 1 . . . . 30 GLN HE22 . 10317 1 292 . 1 1 30 30 GLN HG2 H 1 1.894 0.030 . 2 . . . . 30 GLN HG2 . 10317 1 293 . 1 1 30 30 GLN HG3 H 1 0.448 0.030 . 2 . . . . 30 GLN HG3 . 10317 1 294 . 1 1 30 30 GLN C C 13 176.323 0.300 . 1 . . . . 30 GLN C . 10317 1 295 . 1 1 30 30 GLN CA C 13 56.205 0.300 . 1 . . . . 30 GLN CA . 10317 1 296 . 1 1 30 30 GLN CB C 13 28.663 0.300 . 1 . . . . 30 GLN CB . 10317 1 297 . 1 1 30 30 GLN CG C 13 34.186 0.300 . 1 . . . . 30 GLN CG . 10317 1 298 . 1 1 30 30 GLN N N 15 133.957 0.300 . 1 . . . . 30 GLN N . 10317 1 299 . 1 1 30 30 GLN NE2 N 15 108.742 0.300 . 1 . . . . 30 GLN NE2 . 10317 1 300 . 1 1 31 31 ASP H H 1 9.041 0.030 . 1 . . . . 31 ASP H . 10317 1 301 . 1 1 31 31 ASP HA H 1 4.593 0.030 . 1 . . . . 31 ASP HA . 10317 1 302 . 1 1 31 31 ASP HB2 H 1 2.806 0.030 . 1 . . . . 31 ASP HB2 . 10317 1 303 . 1 1 31 31 ASP HB3 H 1 2.806 0.030 . 1 . . . . 31 ASP HB3 . 10317 1 304 . 1 1 31 31 ASP C C 13 176.769 0.300 . 1 . . . . 31 ASP C . 10317 1 305 . 1 1 31 31 ASP CA C 13 55.028 0.300 . 1 . . . . 31 ASP CA . 10317 1 306 . 1 1 31 31 ASP CB C 13 41.225 0.300 . 1 . . . . 31 ASP CB . 10317 1 307 . 1 1 31 31 ASP N N 15 130.473 0.300 . 1 . . . . 31 ASP N . 10317 1 308 . 1 1 32 32 SER HA H 1 4.324 0.030 . 1 . . . . 32 SER HA . 10317 1 309 . 1 1 32 32 SER HB2 H 1 3.904 0.030 . 1 . . . . 32 SER HB2 . 10317 1 310 . 1 1 32 32 SER HB3 H 1 3.904 0.030 . 1 . . . . 32 SER HB3 . 10317 1 311 . 1 1 32 32 SER C C 13 174.332 0.300 . 1 . . . . 32 SER C . 10317 1 312 . 1 1 32 32 SER CA C 13 59.383 0.300 . 1 . . . . 32 SER CA . 10317 1 313 . 1 1 32 32 SER CB C 13 63.911 0.300 . 1 . . . . 32 SER CB . 10317 1 314 . 1 1 33 33 THR H H 1 7.438 0.030 . 1 . . . . 33 THR H . 10317 1 315 . 1 1 33 33 THR HA H 1 4.614 0.030 . 1 . . . . 33 THR HA . 10317 1 316 . 1 1 33 33 THR HB H 1 4.307 0.030 . 1 . . . . 33 THR HB . 10317 1 317 . 1 1 33 33 THR HG21 H 1 1.138 0.030 . 1 . . . . 33 THR HG2 . 10317 1 318 . 1 1 33 33 THR HG22 H 1 1.138 0.030 . 1 . . . . 33 THR HG2 . 10317 1 319 . 1 1 33 33 THR HG23 H 1 1.138 0.030 . 1 . . . . 33 THR HG2 . 10317 1 320 . 1 1 33 33 THR C C 13 174.928 0.300 . 1 . . . . 33 THR C . 10317 1 321 . 1 1 33 33 THR CA C 13 59.699 0.300 . 1 . . . . 33 THR CA . 10317 1 322 . 1 1 33 33 THR CB C 13 71.555 0.300 . 1 . . . . 33 THR CB . 10317 1 323 . 1 1 33 33 THR CG2 C 13 21.411 0.300 . 1 . . . . 33 THR CG2 . 10317 1 324 . 1 1 33 33 THR N N 15 110.616 0.300 . 1 . . . . 33 THR N . 10317 1 325 . 1 1 35 35 MET HA H 1 4.275 0.030 . 1 . . . . 35 MET HA . 10317 1 326 . 1 1 35 35 MET HB2 H 1 2.167 0.030 . 2 . . . . 35 MET HB2 . 10317 1 327 . 1 1 35 35 MET HB3 H 1 1.895 0.030 . 2 . . . . 35 MET HB3 . 10317 1 328 . 1 1 35 35 MET HE1 H 1 2.104 0.030 . 1 . . . . 35 MET HE . 10317 1 329 . 1 1 35 35 MET HE2 H 1 2.104 0.030 . 1 . . . . 35 MET HE . 10317 1 330 . 1 1 35 35 MET HE3 H 1 2.104 0.030 . 1 . . . . 35 MET HE . 10317 1 331 . 1 1 35 35 MET HG2 H 1 2.541 0.030 . 2 . . . . 35 MET HG2 . 10317 1 332 . 1 1 35 35 MET HG3 H 1 2.707 0.030 . 2 . . . . 35 MET HG3 . 10317 1 333 . 1 1 35 35 MET C C 13 175.205 0.300 . 1 . . . . 35 MET C . 10317 1 334 . 1 1 35 35 MET CA C 13 55.871 0.300 . 1 . . . . 35 MET CA . 10317 1 335 . 1 1 35 35 MET CB C 13 32.102 0.300 . 1 . . . . 35 MET CB . 10317 1 336 . 1 1 35 35 MET CE C 13 16.796 0.300 . 1 . . . . 35 MET CE . 10317 1 337 . 1 1 35 35 MET CG C 13 32.513 0.300 . 1 . . . . 35 MET CG . 10317 1 338 . 1 1 36 36 LYS H H 1 8.144 0.030 . 1 . . . . 36 LYS H . 10317 1 339 . 1 1 36 36 LYS HA H 1 3.518 0.030 . 1 . . . . 36 LYS HA . 10317 1 340 . 1 1 36 36 LYS HB2 H 1 1.426 0.030 . 1 . . . . 36 LYS HB2 . 10317 1 341 . 1 1 36 36 LYS HB3 H 1 1.426 0.030 . 1 . . . . 36 LYS HB3 . 10317 1 342 . 1 1 36 36 LYS HD2 H 1 1.366 0.030 . 2 . . . . 36 LYS HD2 . 10317 1 343 . 1 1 36 36 LYS HD3 H 1 1.785 0.030 . 2 . . . . 36 LYS HD3 . 10317 1 344 . 1 1 36 36 LYS HE2 H 1 2.805 0.030 . 1 . . . . 36 LYS HE2 . 10317 1 345 . 1 1 36 36 LYS HE3 H 1 2.805 0.030 . 1 . . . . 36 LYS HE3 . 10317 1 346 . 1 1 36 36 LYS HG2 H 1 1.013 0.030 . 2 . . . . 36 LYS HG2 . 10317 1 347 . 1 1 36 36 LYS HG3 H 1 0.785 0.030 . 2 . . . . 36 LYS HG3 . 10317 1 348 . 1 1 36 36 LYS C C 13 175.054 0.300 . 1 . . . . 36 LYS C . 10317 1 349 . 1 1 36 36 LYS CA C 13 57.364 0.300 . 1 . . . . 36 LYS CA . 10317 1 350 . 1 1 36 36 LYS CB C 13 29.431 0.300 . 1 . . . . 36 LYS CB . 10317 1 351 . 1 1 36 36 LYS CD C 13 29.057 0.300 . 1 . . . . 36 LYS CD . 10317 1 352 . 1 1 36 36 LYS CE C 13 42.080 0.300 . 1 . . . . 36 LYS CE . 10317 1 353 . 1 1 36 36 LYS CG C 13 24.734 0.300 . 1 . . . . 36 LYS CG . 10317 1 354 . 1 1 36 36 LYS N N 15 115.859 0.300 . 1 . . . . 36 LYS N . 10317 1 355 . 1 1 37 37 LEU H H 1 8.002 0.030 . 1 . . . . 37 LEU H . 10317 1 356 . 1 1 37 37 LEU HA H 1 4.247 0.030 . 1 . . . . 37 LEU HA . 10317 1 357 . 1 1 37 37 LEU HB2 H 1 1.647 0.030 . 2 . . . . 37 LEU HB2 . 10317 1 358 . 1 1 37 37 LEU HB3 H 1 1.525 0.030 . 2 . . . . 37 LEU HB3 . 10317 1 359 . 1 1 37 37 LEU HD11 H 1 0.961 0.030 . 1 . . . . 37 LEU HD1 . 10317 1 360 . 1 1 37 37 LEU HD12 H 1 0.961 0.030 . 1 . . . . 37 LEU HD1 . 10317 1 361 . 1 1 37 37 LEU HD13 H 1 0.961 0.030 . 1 . . . . 37 LEU HD1 . 10317 1 362 . 1 1 37 37 LEU HD21 H 1 0.908 0.030 . 1 . . . . 37 LEU HD2 . 10317 1 363 . 1 1 37 37 LEU HD22 H 1 0.908 0.030 . 1 . . . . 37 LEU HD2 . 10317 1 364 . 1 1 37 37 LEU HD23 H 1 0.908 0.030 . 1 . . . . 37 LEU HD2 . 10317 1 365 . 1 1 37 37 LEU HG H 1 1.615 0.030 . 1 . . . . 37 LEU HG . 10317 1 366 . 1 1 37 37 LEU C C 13 177.142 0.300 . 1 . . . . 37 LEU C . 10317 1 367 . 1 1 37 37 LEU CA C 13 54.712 0.300 . 1 . . . . 37 LEU CA . 10317 1 368 . 1 1 37 37 LEU CB C 13 42.417 0.300 . 1 . . . . 37 LEU CB . 10317 1 369 . 1 1 37 37 LEU CD1 C 13 25.609 0.300 . 2 . . . . 37 LEU CD1 . 10317 1 370 . 1 1 37 37 LEU CD2 C 13 22.257 0.300 . 2 . . . . 37 LEU CD2 . 10317 1 371 . 1 1 37 37 LEU CG C 13 27.047 0.300 . 1 . . . . 37 LEU CG . 10317 1 372 . 1 1 37 37 LEU N N 15 117.501 0.300 . 1 . . . . 37 LEU N . 10317 1 373 . 1 1 38 38 TRP H H 1 8.744 0.030 . 1 . . . . 38 TRP H . 10317 1 374 . 1 1 38 38 TRP HA H 1 4.504 0.030 . 1 . . . . 38 TRP HA . 10317 1 375 . 1 1 38 38 TRP HB2 H 1 3.092 0.030 . 2 . . . . 38 TRP HB2 . 10317 1 376 . 1 1 38 38 TRP HB3 H 1 2.848 0.030 . 2 . . . . 38 TRP HB3 . 10317 1 377 . 1 1 38 38 TRP HD1 H 1 7.381 0.030 . 1 . . . . 38 TRP HD1 . 10317 1 378 . 1 1 38 38 TRP HE1 H 1 10.329 0.030 . 1 . . . . 38 TRP HE1 . 10317 1 379 . 1 1 38 38 TRP HE3 H 1 7.074 0.030 . 1 . . . . 38 TRP HE3 . 10317 1 380 . 1 1 38 38 TRP HH2 H 1 6.666 0.030 . 1 . . . . 38 TRP HH2 . 10317 1 381 . 1 1 38 38 TRP HZ2 H 1 7.098 0.030 . 1 . . . . 38 TRP HZ2 . 10317 1 382 . 1 1 38 38 TRP HZ3 H 1 6.604 0.030 . 1 . . . . 38 TRP HZ3 . 10317 1 383 . 1 1 38 38 TRP C C 13 176.662 0.300 . 1 . . . . 38 TRP C . 10317 1 384 . 1 1 38 38 TRP CA C 13 57.188 0.300 . 1 . . . . 38 TRP CA . 10317 1 385 . 1 1 38 38 TRP CB C 13 29.554 0.300 . 1 . . . . 38 TRP CB . 10317 1 386 . 1 1 38 38 TRP CD1 C 13 128.051 0.300 . 1 . . . . 38 TRP CD1 . 10317 1 387 . 1 1 38 38 TRP CE3 C 13 119.848 0.300 . 1 . . . . 38 TRP CE3 . 10317 1 388 . 1 1 38 38 TRP CH2 C 13 122.620 0.300 . 1 . . . . 38 TRP CH2 . 10317 1 389 . 1 1 38 38 TRP CZ2 C 13 114.144 0.300 . 1 . . . . 38 TRP CZ2 . 10317 1 390 . 1 1 38 38 TRP CZ3 C 13 122.257 0.300 . 1 . . . . 38 TRP CZ3 . 10317 1 391 . 1 1 38 38 TRP N N 15 120.400 0.300 . 1 . . . . 38 TRP N . 10317 1 392 . 1 1 38 38 TRP NE1 N 15 130.248 0.300 . 1 . . . . 38 TRP NE1 . 10317 1 393 . 1 1 39 39 LYS H H 1 8.296 0.030 . 1 . . . . 39 LYS H . 10317 1 394 . 1 1 39 39 LYS HA H 1 4.826 0.030 . 1 . . . . 39 LYS HA . 10317 1 395 . 1 1 39 39 LYS HB2 H 1 1.977 0.030 . 2 . . . . 39 LYS HB2 . 10317 1 396 . 1 1 39 39 LYS HB3 H 1 1.579 0.030 . 2 . . . . 39 LYS HB3 . 10317 1 397 . 1 1 39 39 LYS HD2 H 1 1.781 0.030 . 2 . . . . 39 LYS HD2 . 10317 1 398 . 1 1 39 39 LYS HD3 H 1 1.705 0.030 . 2 . . . . 39 LYS HD3 . 10317 1 399 . 1 1 39 39 LYS HE2 H 1 2.965 0.030 . 2 . . . . 39 LYS HE2 . 10317 1 400 . 1 1 39 39 LYS HE3 H 1 3.065 0.030 . 2 . . . . 39 LYS HE3 . 10317 1 401 . 1 1 39 39 LYS HG2 H 1 1.334 0.030 . 2 . . . . 39 LYS HG2 . 10317 1 402 . 1 1 39 39 LYS HG3 H 1 1.579 0.030 . 2 . . . . 39 LYS HG3 . 10317 1 403 . 1 1 39 39 LYS C C 13 174.804 0.300 . 1 . . . . 39 LYS C . 10317 1 404 . 1 1 39 39 LYS CA C 13 53.975 0.300 . 1 . . . . 39 LYS CA . 10317 1 405 . 1 1 39 39 LYS CB C 13 34.922 0.300 . 1 . . . . 39 LYS CB . 10317 1 406 . 1 1 39 39 LYS CD C 13 28.810 0.300 . 1 . . . . 39 LYS CD . 10317 1 407 . 1 1 39 39 LYS CE C 13 42.457 0.300 . 1 . . . . 39 LYS CE . 10317 1 408 . 1 1 39 39 LYS CG C 13 24.817 0.300 . 1 . . . . 39 LYS CG . 10317 1 409 . 1 1 39 39 LYS N N 15 122.957 0.300 . 1 . . . . 39 LYS N . 10317 1 410 . 1 1 40 40 LYS H H 1 9.055 0.030 . 1 . . . . 40 LYS H . 10317 1 411 . 1 1 40 40 LYS HA H 1 4.067 0.030 . 1 . . . . 40 LYS HA . 10317 1 412 . 1 1 40 40 LYS HB2 H 1 1.245 0.030 . 2 . . . . 40 LYS HB2 . 10317 1 413 . 1 1 40 40 LYS HB3 H 1 1.743 0.030 . 2 . . . . 40 LYS HB3 . 10317 1 414 . 1 1 40 40 LYS HD2 H 1 1.077 0.030 . 2 . . . . 40 LYS HD2 . 10317 1 415 . 1 1 40 40 LYS HD3 H 1 1.176 0.030 . 2 . . . . 40 LYS HD3 . 10317 1 416 . 1 1 40 40 LYS HE2 H 1 2.013 0.030 . 2 . . . . 40 LYS HE2 . 10317 1 417 . 1 1 40 40 LYS HE3 H 1 2.162 0.030 . 2 . . . . 40 LYS HE3 . 10317 1 418 . 1 1 40 40 LYS HG2 H 1 1.126 0.030 . 2 . . . . 40 LYS HG2 . 10317 1 419 . 1 1 40 40 LYS HG3 H 1 0.256 0.030 . 2 . . . . 40 LYS HG3 . 10317 1 420 . 1 1 40 40 LYS C C 13 175.826 0.300 . 1 . . . . 40 LYS C . 10317 1 421 . 1 1 40 40 LYS CA C 13 57.215 0.300 . 1 . . . . 40 LYS CA . 10317 1 422 . 1 1 40 40 LYS CB C 13 32.816 0.300 . 1 . . . . 40 LYS CB . 10317 1 423 . 1 1 40 40 LYS CD C 13 29.398 0.300 . 1 . . . . 40 LYS CD . 10317 1 424 . 1 1 40 40 LYS CE C 13 41.126 0.300 . 1 . . . . 40 LYS CE . 10317 1 425 . 1 1 40 40 LYS CG C 13 25.777 0.300 . 1 . . . . 40 LYS CG . 10317 1 426 . 1 1 40 40 LYS N N 15 127.323 0.300 . 1 . . . . 40 LYS N . 10317 1 427 . 1 1 41 41 ARG H H 1 8.999 0.030 . 1 . . . . 41 ARG H . 10317 1 428 . 1 1 41 41 ARG HA H 1 5.134 0.030 . 1 . . . . 41 ARG HA . 10317 1 429 . 1 1 41 41 ARG HB2 H 1 2.115 0.030 . 2 . . . . 41 ARG HB2 . 10317 1 430 . 1 1 41 41 ARG HB3 H 1 2.194 0.030 . 2 . . . . 41 ARG HB3 . 10317 1 431 . 1 1 41 41 ARG HD2 H 1 3.665 0.030 . 2 . . . . 41 ARG HD2 . 10317 1 432 . 1 1 41 41 ARG HD3 H 1 2.966 0.030 . 2 . . . . 41 ARG HD3 . 10317 1 433 . 1 1 41 41 ARG HG2 H 1 1.615 0.030 . 2 . . . . 41 ARG HG2 . 10317 1 434 . 1 1 41 41 ARG HG3 H 1 1.822 0.030 . 2 . . . . 41 ARG HG3 . 10317 1 435 . 1 1 41 41 ARG C C 13 172.979 0.300 . 1 . . . . 41 ARG C . 10317 1 436 . 1 1 41 41 ARG CA C 13 52.956 0.300 . 1 . . . . 41 ARG CA . 10317 1 437 . 1 1 41 41 ARG CB C 13 34.157 0.300 . 1 . . . . 41 ARG CB . 10317 1 438 . 1 1 41 41 ARG CD C 13 43.731 0.300 . 1 . . . . 41 ARG CD . 10317 1 439 . 1 1 41 41 ARG CG C 13 25.684 0.300 . 1 . . . . 41 ARG CG . 10317 1 440 . 1 1 41 41 ARG N N 15 127.185 0.300 . 1 . . . . 41 ARG N . 10317 1 441 . 1 1 42 42 TRP H H 1 8.429 0.030 . 1 . . . . 42 TRP H . 10317 1 442 . 1 1 42 42 TRP HA H 1 4.526 0.030 . 1 . . . . 42 TRP HA . 10317 1 443 . 1 1 42 42 TRP HB2 H 1 2.683 0.030 . 2 . . . . 42 TRP HB2 . 10317 1 444 . 1 1 42 42 TRP HB3 H 1 1.859 0.030 . 2 . . . . 42 TRP HB3 . 10317 1 445 . 1 1 42 42 TRP HD1 H 1 6.463 0.030 . 1 . . . . 42 TRP HD1 . 10317 1 446 . 1 1 42 42 TRP HE1 H 1 10.794 0.030 . 1 . . . . 42 TRP HE1 . 10317 1 447 . 1 1 42 42 TRP HE3 H 1 4.984 0.030 . 1 . . . . 42 TRP HE3 . 10317 1 448 . 1 1 42 42 TRP HH2 H 1 6.985 0.030 . 1 . . . . 42 TRP HH2 . 10317 1 449 . 1 1 42 42 TRP HZ2 H 1 7.045 0.030 . 1 . . . . 42 TRP HZ2 . 10317 1 450 . 1 1 42 42 TRP HZ3 H 1 6.331 0.030 . 1 . . . . 42 TRP HZ3 . 10317 1 451 . 1 1 42 42 TRP C C 13 174.929 0.300 . 1 . . . . 42 TRP C . 10317 1 452 . 1 1 42 42 TRP CA C 13 56.310 0.300 . 1 . . . . 42 TRP CA . 10317 1 453 . 1 1 42 42 TRP CB C 13 29.348 0.300 . 1 . . . . 42 TRP CB . 10317 1 454 . 1 1 42 42 TRP CD1 C 13 127.022 0.300 . 1 . . . . 42 TRP CD1 . 10317 1 455 . 1 1 42 42 TRP CE3 C 13 119.860 0.300 . 1 . . . . 42 TRP CE3 . 10317 1 456 . 1 1 42 42 TRP CH2 C 13 123.948 0.300 . 1 . . . . 42 TRP CH2 . 10317 1 457 . 1 1 42 42 TRP CZ2 C 13 113.615 0.300 . 1 . . . . 42 TRP CZ2 . 10317 1 458 . 1 1 42 42 TRP CZ3 C 13 121.691 0.300 . 1 . . . . 42 TRP CZ3 . 10317 1 459 . 1 1 42 42 TRP N N 15 123.746 0.300 . 1 . . . . 42 TRP N . 10317 1 460 . 1 1 42 42 TRP NE1 N 15 129.480 0.300 . 1 . . . . 42 TRP NE1 . 10317 1 461 . 1 1 43 43 PHE H H 1 8.837 0.030 . 1 . . . . 43 PHE H . 10317 1 462 . 1 1 43 43 PHE HA H 1 5.253 0.030 . 1 . . . . 43 PHE HA . 10317 1 463 . 1 1 43 43 PHE HB2 H 1 2.655 0.030 . 2 . . . . 43 PHE HB2 . 10317 1 464 . 1 1 43 43 PHE HB3 H 1 2.253 0.030 . 2 . . . . 43 PHE HB3 . 10317 1 465 . 1 1 43 43 PHE HD1 H 1 7.008 0.030 . 1 . . . . 43 PHE HD1 . 10317 1 466 . 1 1 43 43 PHE HD2 H 1 7.008 0.030 . 1 . . . . 43 PHE HD2 . 10317 1 467 . 1 1 43 43 PHE HE1 H 1 6.755 0.030 . 1 . . . . 43 PHE HE1 . 10317 1 468 . 1 1 43 43 PHE HE2 H 1 6.755 0.030 . 1 . . . . 43 PHE HE2 . 10317 1 469 . 1 1 43 43 PHE HZ H 1 6.294 0.030 . 1 . . . . 43 PHE HZ . 10317 1 470 . 1 1 43 43 PHE C C 13 174.838 0.300 . 1 . . . . 43 PHE C . 10317 1 471 . 1 1 43 43 PHE CA C 13 56.679 0.300 . 1 . . . . 43 PHE CA . 10317 1 472 . 1 1 43 43 PHE CB C 13 44.303 0.300 . 1 . . . . 43 PHE CB . 10317 1 473 . 1 1 43 43 PHE CD1 C 13 132.578 0.300 . 1 . . . . 43 PHE CD1 . 10317 1 474 . 1 1 43 43 PHE CD2 C 13 132.578 0.300 . 1 . . . . 43 PHE CD2 . 10317 1 475 . 1 1 43 43 PHE CE1 C 13 130.727 0.300 . 1 . . . . 43 PHE CE1 . 10317 1 476 . 1 1 43 43 PHE CE2 C 13 130.727 0.300 . 1 . . . . 43 PHE CE2 . 10317 1 477 . 1 1 43 43 PHE CZ C 13 128.135 0.300 . 1 . . . . 43 PHE CZ . 10317 1 478 . 1 1 43 43 PHE N N 15 128.815 0.300 . 1 . . . . 43 PHE N . 10317 1 479 . 1 1 44 44 VAL H H 1 9.328 0.030 . 1 . . . . 44 VAL H . 10317 1 480 . 1 1 44 44 VAL HA H 1 4.556 0.030 . 1 . . . . 44 VAL HA . 10317 1 481 . 1 1 44 44 VAL HB H 1 2.255 0.030 . 1 . . . . 44 VAL HB . 10317 1 482 . 1 1 44 44 VAL HG11 H 1 0.993 0.030 . 1 . . . . 44 VAL HG1 . 10317 1 483 . 1 1 44 44 VAL HG12 H 1 0.993 0.030 . 1 . . . . 44 VAL HG1 . 10317 1 484 . 1 1 44 44 VAL HG13 H 1 0.993 0.030 . 1 . . . . 44 VAL HG1 . 10317 1 485 . 1 1 44 44 VAL HG21 H 1 1.048 0.030 . 1 . . . . 44 VAL HG2 . 10317 1 486 . 1 1 44 44 VAL HG22 H 1 1.048 0.030 . 1 . . . . 44 VAL HG2 . 10317 1 487 . 1 1 44 44 VAL HG23 H 1 1.048 0.030 . 1 . . . . 44 VAL HG2 . 10317 1 488 . 1 1 44 44 VAL C C 13 174.221 0.300 . 1 . . . . 44 VAL C . 10317 1 489 . 1 1 44 44 VAL CA C 13 61.561 0.300 . 1 . . . . 44 VAL CA . 10317 1 490 . 1 1 44 44 VAL CB C 13 36.910 0.300 . 1 . . . . 44 VAL CB . 10317 1 491 . 1 1 44 44 VAL CG1 C 13 21.746 0.300 . 2 . . . . 44 VAL CG1 . 10317 1 492 . 1 1 44 44 VAL CG2 C 13 21.746 0.300 . 2 . . . . 44 VAL CG2 . 10317 1 493 . 1 1 44 44 VAL N N 15 118.505 0.300 . 1 . . . . 44 VAL N . 10317 1 494 . 1 1 45 45 LEU H H 1 9.000 0.030 . 1 . . . . 45 LEU H . 10317 1 495 . 1 1 45 45 LEU HA H 1 5.795 0.030 . 1 . . . . 45 LEU HA . 10317 1 496 . 1 1 45 45 LEU HB2 H 1 1.945 0.030 . 2 . . . . 45 LEU HB2 . 10317 1 497 . 1 1 45 45 LEU HB3 H 1 1.455 0.030 . 2 . . . . 45 LEU HB3 . 10317 1 498 . 1 1 45 45 LEU HD11 H 1 0.740 0.030 . 1 . . . . 45 LEU HD1 . 10317 1 499 . 1 1 45 45 LEU HD12 H 1 0.740 0.030 . 1 . . . . 45 LEU HD1 . 10317 1 500 . 1 1 45 45 LEU HD13 H 1 0.740 0.030 . 1 . . . . 45 LEU HD1 . 10317 1 501 . 1 1 45 45 LEU HD21 H 1 0.686 0.030 . 1 . . . . 45 LEU HD2 . 10317 1 502 . 1 1 45 45 LEU HD22 H 1 0.686 0.030 . 1 . . . . 45 LEU HD2 . 10317 1 503 . 1 1 45 45 LEU HD23 H 1 0.686 0.030 . 1 . . . . 45 LEU HD2 . 10317 1 504 . 1 1 45 45 LEU HG H 1 1.556 0.030 . 1 . . . . 45 LEU HG . 10317 1 505 . 1 1 45 45 LEU C C 13 175.533 0.300 . 1 . . . . 45 LEU C . 10317 1 506 . 1 1 45 45 LEU CA C 13 53.642 0.300 . 1 . . . . 45 LEU CA . 10317 1 507 . 1 1 45 45 LEU CB C 13 44.389 0.300 . 1 . . . . 45 LEU CB . 10317 1 508 . 1 1 45 45 LEU CD1 C 13 25.757 0.300 . 2 . . . . 45 LEU CD1 . 10317 1 509 . 1 1 45 45 LEU CD2 C 13 24.908 0.300 . 2 . . . . 45 LEU CD2 . 10317 1 510 . 1 1 45 45 LEU CG C 13 28.682 0.300 . 1 . . . . 45 LEU CG . 10317 1 511 . 1 1 45 45 LEU N N 15 129.392 0.300 . 1 . . . . 45 LEU N . 10317 1 512 . 1 1 46 46 SER H H 1 9.364 0.030 . 1 . . . . 46 SER H . 10317 1 513 . 1 1 46 46 SER HA H 1 4.565 0.030 . 1 . . . . 46 SER HA . 10317 1 514 . 1 1 46 46 SER HB2 H 1 3.863 0.030 . 2 . . . . 46 SER HB2 . 10317 1 515 . 1 1 46 46 SER HB3 H 1 3.617 0.030 . 2 . . . . 46 SER HB3 . 10317 1 516 . 1 1 46 46 SER C C 13 173.475 0.300 . 1 . . . . 46 SER C . 10317 1 517 . 1 1 46 46 SER CA C 13 57.171 0.300 . 1 . . . . 46 SER CA . 10317 1 518 . 1 1 46 46 SER CB C 13 65.237 0.300 . 1 . . . . 46 SER CB . 10317 1 519 . 1 1 46 46 SER N N 15 121.677 0.300 . 1 . . . . 46 SER N . 10317 1 520 . 1 1 47 47 ASP H H 1 9.633 0.030 . 1 . . . . 47 ASP H . 10317 1 521 . 1 1 47 47 ASP HA H 1 4.365 0.030 . 1 . . . . 47 ASP HA . 10317 1 522 . 1 1 47 47 ASP HB2 H 1 3.335 0.030 . 2 . . . . 47 ASP HB2 . 10317 1 523 . 1 1 47 47 ASP HB3 H 1 2.544 0.030 . 2 . . . . 47 ASP HB3 . 10317 1 524 . 1 1 47 47 ASP CA C 13 55.666 0.300 . 1 . . . . 47 ASP CA . 10317 1 525 . 1 1 47 47 ASP CB C 13 40.049 0.300 . 1 . . . . 47 ASP CB . 10317 1 526 . 1 1 47 47 ASP N N 15 129.034 0.300 . 1 . . . . 47 ASP N . 10317 1 527 . 1 1 48 48 LEU H H 1 8.935 0.030 . 1 . . . . 48 LEU H . 10317 1 528 . 1 1 48 48 LEU HA H 1 3.685 0.030 . 1 . . . . 48 LEU HA . 10317 1 529 . 1 1 48 48 LEU HB2 H 1 2.265 0.030 . 2 . . . . 48 LEU HB2 . 10317 1 530 . 1 1 48 48 LEU HB3 H 1 1.644 0.030 . 2 . . . . 48 LEU HB3 . 10317 1 531 . 1 1 48 48 LEU HD11 H 1 0.985 0.030 . 1 . . . . 48 LEU HD1 . 10317 1 532 . 1 1 48 48 LEU HD12 H 1 0.985 0.030 . 1 . . . . 48 LEU HD1 . 10317 1 533 . 1 1 48 48 LEU HD13 H 1 0.985 0.030 . 1 . . . . 48 LEU HD1 . 10317 1 534 . 1 1 48 48 LEU HD21 H 1 1.037 0.030 . 1 . . . . 48 LEU HD2 . 10317 1 535 . 1 1 48 48 LEU HD22 H 1 1.037 0.030 . 1 . . . . 48 LEU HD2 . 10317 1 536 . 1 1 48 48 LEU HD23 H 1 1.037 0.030 . 1 . . . . 48 LEU HD2 . 10317 1 537 . 1 1 48 48 LEU HG H 1 1.515 0.030 . 1 . . . . 48 LEU HG . 10317 1 538 . 1 1 48 48 LEU C C 13 173.743 0.300 . 1 . . . . 48 LEU C . 10317 1 539 . 1 1 48 48 LEU CA C 13 56.433 0.300 . 1 . . . . 48 LEU CA . 10317 1 540 . 1 1 48 48 LEU CB C 13 39.417 0.300 . 1 . . . . 48 LEU CB . 10317 1 541 . 1 1 48 48 LEU CD1 C 13 26.117 0.300 . 2 . . . . 48 LEU CD1 . 10317 1 542 . 1 1 48 48 LEU CD2 C 13 22.802 0.300 . 2 . . . . 48 LEU CD2 . 10317 1 543 . 1 1 48 48 LEU CG C 13 26.927 0.300 . 1 . . . . 48 LEU CG . 10317 1 544 . 1 1 49 49 CYS H H 1 7.955 0.030 . 1 . . . . 49 CYS H . 10317 1 545 . 1 1 49 49 CYS HA H 1 4.965 0.030 . 1 . . . . 49 CYS HA . 10317 1 546 . 1 1 49 49 CYS HB2 H 1 2.495 0.030 . 1 . . . . 49 CYS HB2 . 10317 1 547 . 1 1 49 49 CYS HB3 H 1 2.495 0.030 . 1 . . . . 49 CYS HB3 . 10317 1 548 . 1 1 49 49 CYS C C 13 172.558 0.300 . 1 . . . . 49 CYS C . 10317 1 549 . 1 1 49 49 CYS CA C 13 56.557 0.300 . 1 . . . . 49 CYS CA . 10317 1 550 . 1 1 49 49 CYS CB C 13 30.629 0.300 . 1 . . . . 49 CYS CB . 10317 1 551 . 1 1 49 49 CYS N N 15 118.372 0.300 . 1 . . . . 49 CYS N . 10317 1 552 . 1 1 50 50 LEU H H 1 8.691 0.030 . 1 . . . . 50 LEU H . 10317 1 553 . 1 1 50 50 LEU HA H 1 5.115 0.030 . 1 . . . . 50 LEU HA . 10317 1 554 . 1 1 50 50 LEU HB2 H 1 1.725 0.030 . 2 . . . . 50 LEU HB2 . 10317 1 555 . 1 1 50 50 LEU HB3 H 1 1.482 0.030 . 2 . . . . 50 LEU HB3 . 10317 1 556 . 1 1 50 50 LEU HD11 H 1 0.665 0.030 . 1 . . . . 50 LEU HD1 . 10317 1 557 . 1 1 50 50 LEU HD12 H 1 0.665 0.030 . 1 . . . . 50 LEU HD1 . 10317 1 558 . 1 1 50 50 LEU HD13 H 1 0.665 0.030 . 1 . . . . 50 LEU HD1 . 10317 1 559 . 1 1 50 50 LEU HD21 H 1 0.727 0.030 . 1 . . . . 50 LEU HD2 . 10317 1 560 . 1 1 50 50 LEU HD22 H 1 0.727 0.030 . 1 . . . . 50 LEU HD2 . 10317 1 561 . 1 1 50 50 LEU HD23 H 1 0.727 0.030 . 1 . . . . 50 LEU HD2 . 10317 1 562 . 1 1 50 50 LEU HG H 1 1.635 0.030 . 1 . . . . 50 LEU HG . 10317 1 563 . 1 1 50 50 LEU C C 13 175.260 0.300 . 1 . . . . 50 LEU C . 10317 1 564 . 1 1 50 50 LEU CA C 13 52.728 0.300 . 1 . . . . 50 LEU CA . 10317 1 565 . 1 1 50 50 LEU CB C 13 43.535 0.300 . 1 . . . . 50 LEU CB . 10317 1 566 . 1 1 50 50 LEU CD1 C 13 25.609 0.300 . 2 . . . . 50 LEU CD1 . 10317 1 567 . 1 1 50 50 LEU CD2 C 13 24.390 0.300 . 2 . . . . 50 LEU CD2 . 10317 1 568 . 1 1 50 50 LEU CG C 13 25.777 0.300 . 1 . . . . 50 LEU CG . 10317 1 569 . 1 1 50 50 LEU N N 15 123.879 0.300 . 1 . . . . 50 LEU N . 10317 1 570 . 1 1 51 51 PHE H H 1 9.570 0.030 . 1 . . . . 51 PHE H . 10317 1 571 . 1 1 51 51 PHE HA H 1 4.801 0.030 . 1 . . . . 51 PHE HA . 10317 1 572 . 1 1 51 51 PHE HB2 H 1 2.763 0.030 . 2 . . . . 51 PHE HB2 . 10317 1 573 . 1 1 51 51 PHE HB3 H 1 2.957 0.030 . 2 . . . . 51 PHE HB3 . 10317 1 574 . 1 1 51 51 PHE HD1 H 1 7.131 0.030 . 1 . . . . 51 PHE HD1 . 10317 1 575 . 1 1 51 51 PHE HD2 H 1 7.131 0.030 . 1 . . . . 51 PHE HD2 . 10317 1 576 . 1 1 51 51 PHE HE1 H 1 7.404 0.030 . 1 . . . . 51 PHE HE1 . 10317 1 577 . 1 1 51 51 PHE HE2 H 1 7.404 0.030 . 1 . . . . 51 PHE HE2 . 10317 1 578 . 1 1 51 51 PHE HZ H 1 7.274 0.030 . 1 . . . . 51 PHE HZ . 10317 1 579 . 1 1 51 51 PHE C C 13 174.745 0.300 . 1 . . . . 51 PHE C . 10317 1 580 . 1 1 51 51 PHE CA C 13 57.013 0.300 . 1 . . . . 51 PHE CA . 10317 1 581 . 1 1 51 51 PHE CB C 13 42.129 0.300 . 1 . . . . 51 PHE CB . 10317 1 582 . 1 1 51 51 PHE CD1 C 13 131.908 0.300 . 1 . . . . 51 PHE CD1 . 10317 1 583 . 1 1 51 51 PHE CD2 C 13 131.908 0.300 . 1 . . . . 51 PHE CD2 . 10317 1 584 . 1 1 51 51 PHE CE1 C 13 131.802 0.300 . 1 . . . . 51 PHE CE1 . 10317 1 585 . 1 1 51 51 PHE CE2 C 13 131.802 0.300 . 1 . . . . 51 PHE CE2 . 10317 1 586 . 1 1 51 51 PHE CZ C 13 130.304 0.300 . 1 . . . . 51 PHE CZ . 10317 1 587 . 1 1 51 51 PHE N N 15 123.686 0.300 . 1 . . . . 51 PHE N . 10317 1 588 . 1 1 52 52 TYR H H 1 7.515 0.030 . 1 . . . . 52 TYR H . 10317 1 589 . 1 1 52 52 TYR HA H 1 5.720 0.030 . 1 . . . . 52 TYR HA . 10317 1 590 . 1 1 52 52 TYR HB2 H 1 1.702 0.030 . 2 . . . . 52 TYR HB2 . 10317 1 591 . 1 1 52 52 TYR HB3 H 1 0.888 0.030 . 2 . . . . 52 TYR HB3 . 10317 1 592 . 1 1 52 52 TYR HD1 H 1 6.236 0.030 . 1 . . . . 52 TYR HD1 . 10317 1 593 . 1 1 52 52 TYR HD2 H 1 6.236 0.030 . 1 . . . . 52 TYR HD2 . 10317 1 594 . 1 1 52 52 TYR HE1 H 1 6.435 0.030 . 1 . . . . 52 TYR HE1 . 10317 1 595 . 1 1 52 52 TYR HE2 H 1 6.435 0.030 . 1 . . . . 52 TYR HE2 . 10317 1 596 . 1 1 52 52 TYR C C 13 173.363 0.300 . 1 . . . . 52 TYR C . 10317 1 597 . 1 1 52 52 TYR CA C 13 54.308 0.300 . 1 . . . . 52 TYR CA . 10317 1 598 . 1 1 52 52 TYR CB C 13 38.677 0.300 . 1 . . . . 52 TYR CB . 10317 1 599 . 1 1 52 52 TYR CD1 C 13 134.042 0.300 . 1 . . . . 52 TYR CD1 . 10317 1 600 . 1 1 52 52 TYR CD2 C 13 134.042 0.300 . 1 . . . . 52 TYR CD2 . 10317 1 601 . 1 1 52 52 TYR CE1 C 13 116.930 0.300 . 1 . . . . 52 TYR CE1 . 10317 1 602 . 1 1 52 52 TYR CE2 C 13 116.930 0.300 . 1 . . . . 52 TYR CE2 . 10317 1 603 . 1 1 52 52 TYR N N 15 114.933 0.300 . 1 . . . . 52 TYR N . 10317 1 604 . 1 1 53 53 TYR H H 1 9.138 0.030 . 1 . . . . 53 TYR H . 10317 1 605 . 1 1 53 53 TYR HA H 1 4.817 0.030 . 1 . . . . 53 TYR HA . 10317 1 606 . 1 1 53 53 TYR HB2 H 1 3.086 0.030 . 2 . . . . 53 TYR HB2 . 10317 1 607 . 1 1 53 53 TYR HB3 H 1 3.579 0.030 . 2 . . . . 53 TYR HB3 . 10317 1 608 . 1 1 53 53 TYR HD1 H 1 6.893 0.030 . 1 . . . . 53 TYR HD1 . 10317 1 609 . 1 1 53 53 TYR HD2 H 1 6.893 0.030 . 1 . . . . 53 TYR HD2 . 10317 1 610 . 1 1 53 53 TYR HE1 H 1 6.464 0.030 . 1 . . . . 53 TYR HE1 . 10317 1 611 . 1 1 53 53 TYR HE2 H 1 6.464 0.030 . 1 . . . . 53 TYR HE2 . 10317 1 612 . 1 1 53 53 TYR C C 13 175.871 0.300 . 1 . . . . 53 TYR C . 10317 1 613 . 1 1 53 53 TYR CA C 13 56.802 0.300 . 1 . . . . 53 TYR CA . 10317 1 614 . 1 1 53 53 TYR CB C 13 43.875 0.300 . 1 . . . . 53 TYR CB . 10317 1 615 . 1 1 53 53 TYR CE1 C 13 117.851 0.300 . 1 . . . . 53 TYR CE1 . 10317 1 616 . 1 1 53 53 TYR CE2 C 13 117.851 0.300 . 1 . . . . 53 TYR CE2 . 10317 1 617 . 1 1 53 53 TYR N N 15 117.727 0.300 . 1 . . . . 53 TYR N . 10317 1 618 . 1 1 54 54 ARG H H 1 10.025 0.030 . 1 . . . . 54 ARG H . 10317 1 619 . 1 1 54 54 ARG HA H 1 4.261 0.030 . 1 . . . . 54 ARG HA . 10317 1 620 . 1 1 54 54 ARG HB2 H 1 1.973 0.030 . 1 . . . . 54 ARG HB2 . 10317 1 621 . 1 1 54 54 ARG HB3 H 1 1.973 0.030 . 1 . . . . 54 ARG HB3 . 10317 1 622 . 1 1 54 54 ARG HD2 H 1 3.362 0.030 . 1 . . . . 54 ARG HD2 . 10317 1 623 . 1 1 54 54 ARG HD3 H 1 3.362 0.030 . 1 . . . . 54 ARG HD3 . 10317 1 624 . 1 1 54 54 ARG HG2 H 1 1.805 0.030 . 2 . . . . 54 ARG HG2 . 10317 1 625 . 1 1 54 54 ARG HG3 H 1 1.906 0.030 . 2 . . . . 54 ARG HG3 . 10317 1 626 . 1 1 54 54 ARG C C 13 176.779 0.300 . 1 . . . . 54 ARG C . 10317 1 627 . 1 1 54 54 ARG CA C 13 59.401 0.300 . 1 . . . . 54 ARG CA . 10317 1 628 . 1 1 54 54 ARG CB C 13 31.237 0.300 . 1 . . . . 54 ARG CB . 10317 1 629 . 1 1 54 54 ARG CD C 13 43.442 0.300 . 1 . . . . 54 ARG CD . 10317 1 630 . 1 1 54 54 ARG CG C 13 28.567 0.300 . 1 . . . . 54 ARG CG . 10317 1 631 . 1 1 54 54 ARG N N 15 120.824 0.300 . 1 . . . . 54 ARG N . 10317 1 632 . 1 1 55 55 ASP H H 1 7.737 0.030 . 1 . . . . 55 ASP H . 10317 1 633 . 1 1 55 55 ASP HA H 1 4.713 0.030 . 1 . . . . 55 ASP HA . 10317 1 634 . 1 1 55 55 ASP HB2 H 1 3.177 0.030 . 2 . . . . 55 ASP HB2 . 10317 1 635 . 1 1 55 55 ASP HB3 H 1 3.115 0.030 . 2 . . . . 55 ASP HB3 . 10317 1 636 . 1 1 55 55 ASP C C 13 173.582 0.300 . 1 . . . . 55 ASP C . 10317 1 637 . 1 1 55 55 ASP CA C 13 53.272 0.300 . 1 . . . . 55 ASP CA . 10317 1 638 . 1 1 55 55 ASP CB C 13 41.450 0.300 . 1 . . . . 55 ASP CB . 10317 1 639 . 1 1 55 55 ASP N N 15 111.375 0.300 . 1 . . . . 55 ASP N . 10317 1 640 . 1 1 56 56 GLU H H 1 8.715 0.030 . 1 . . . . 56 GLU H . 10317 1 641 . 1 1 56 56 GLU HA H 1 1.393 0.030 . 1 . . . . 56 GLU HA . 10317 1 642 . 1 1 56 56 GLU HB2 H 1 0.682 0.030 . 2 . . . . 56 GLU HB2 . 10317 1 643 . 1 1 56 56 GLU HB3 H 1 0.385 0.030 . 2 . . . . 56 GLU HB3 . 10317 1 644 . 1 1 56 56 GLU HG2 H 1 1.174 0.030 . 2 . . . . 56 GLU HG2 . 10317 1 645 . 1 1 56 56 GLU HG3 H 1 1.356 0.030 . 2 . . . . 56 GLU HG3 . 10317 1 646 . 1 1 56 56 GLU C C 13 176.657 0.300 . 1 . . . . 56 GLU C . 10317 1 647 . 1 1 56 56 GLU CA C 13 56.574 0.300 . 1 . . . . 56 GLU CA . 10317 1 648 . 1 1 56 56 GLU CB C 13 26.791 0.300 . 1 . . . . 56 GLU CB . 10317 1 649 . 1 1 56 56 GLU CG C 13 35.186 0.300 . 1 . . . . 56 GLU CG . 10317 1 650 . 1 1 56 56 GLU N N 15 114.264 0.300 . 1 . . . . 56 GLU N . 10317 1 651 . 1 1 57 57 LYS H H 1 8.082 0.030 . 1 . . . . 57 LYS H . 10317 1 652 . 1 1 57 57 LYS HA H 1 3.736 0.030 . 1 . . . . 57 LYS HA . 10317 1 653 . 1 1 57 57 LYS HB2 H 1 1.615 0.030 . 2 . . . . 57 LYS HB2 . 10317 1 654 . 1 1 57 57 LYS HB3 H 1 1.801 0.030 . 2 . . . . 57 LYS HB3 . 10317 1 655 . 1 1 57 57 LYS HD2 H 1 1.561 0.030 . 1 . . . . 57 LYS HD2 . 10317 1 656 . 1 1 57 57 LYS HD3 H 1 1.561 0.030 . 1 . . . . 57 LYS HD3 . 10317 1 657 . 1 1 57 57 LYS HE2 H 1 2.900 0.030 . 1 . . . . 57 LYS HE2 . 10317 1 658 . 1 1 57 57 LYS HE3 H 1 2.900 0.030 . 1 . . . . 57 LYS HE3 . 10317 1 659 . 1 1 57 57 LYS HG2 H 1 1.325 0.030 . 2 . . . . 57 LYS HG2 . 10317 1 660 . 1 1 57 57 LYS HG3 H 1 1.215 0.030 . 2 . . . . 57 LYS HG3 . 10317 1 661 . 1 1 57 57 LYS C C 13 176.775 0.300 . 1 . . . . 57 LYS C . 10317 1 662 . 1 1 57 57 LYS CA C 13 57.557 0.300 . 1 . . . . 57 LYS CA . 10317 1 663 . 1 1 57 57 LYS CB C 13 30.905 0.300 . 1 . . . . 57 LYS CB . 10317 1 664 . 1 1 57 57 LYS CD C 13 28.650 0.300 . 1 . . . . 57 LYS CD . 10317 1 665 . 1 1 57 57 LYS CE C 13 42.047 0.300 . 1 . . . . 57 LYS CE . 10317 1 666 . 1 1 57 57 LYS CG C 13 25.405 0.300 . 1 . . . . 57 LYS CG . 10317 1 667 . 1 1 57 57 LYS N N 15 120.712 0.300 . 1 . . . . 57 LYS N . 10317 1 668 . 1 1 58 58 GLU H H 1 7.475 0.030 . 1 . . . . 58 GLU H . 10317 1 669 . 1 1 58 58 GLU HA H 1 2.315 0.030 . 1 . . . . 58 GLU HA . 10317 1 670 . 1 1 58 58 GLU HB2 H 1 1.605 0.030 . 2 . . . . 58 GLU HB2 . 10317 1 671 . 1 1 58 58 GLU HB3 H 1 1.014 0.030 . 2 . . . . 58 GLU HB3 . 10317 1 672 . 1 1 58 58 GLU HG2 H 1 1.744 0.030 . 2 . . . . 58 GLU HG2 . 10317 1 673 . 1 1 58 58 GLU HG3 H 1 1.234 0.030 . 2 . . . . 58 GLU HG3 . 10317 1 674 . 1 1 58 58 GLU C C 13 174.437 0.300 . 1 . . . . 58 GLU C . 10317 1 675 . 1 1 58 58 GLU CA C 13 56.709 0.300 . 1 . . . . 58 GLU CA . 10317 1 676 . 1 1 58 58 GLU CB C 13 25.938 0.300 . 1 . . . . 58 GLU CB . 10317 1 677 . 1 1 58 58 GLU CG C 13 36.869 0.300 . 1 . . . . 58 GLU CG . 10317 1 678 . 1 1 58 58 GLU N N 15 112.058 0.300 . 1 . . . . 58 GLU N . 10317 1 679 . 1 1 59 59 GLU H H 1 8.426 0.030 . 1 . . . . 59 GLU H . 10317 1 680 . 1 1 59 59 GLU HA H 1 4.477 0.030 . 1 . . . . 59 GLU HA . 10317 1 681 . 1 1 59 59 GLU HB2 H 1 1.918 0.030 . 2 . . . . 59 GLU HB2 . 10317 1 682 . 1 1 59 59 GLU HB3 H 1 1.733 0.030 . 2 . . . . 59 GLU HB3 . 10317 1 683 . 1 1 59 59 GLU HG2 H 1 2.103 0.030 . 2 . . . . 59 GLU HG2 . 10317 1 684 . 1 1 59 59 GLU HG3 H 1 2.075 0.030 . 2 . . . . 59 GLU HG3 . 10317 1 685 . 1 1 59 59 GLU C C 13 175.873 0.300 . 1 . . . . 59 GLU C . 10317 1 686 . 1 1 59 59 GLU CA C 13 55.485 0.300 . 1 . . . . 59 GLU CA . 10317 1 687 . 1 1 59 59 GLU CB C 13 30.787 0.300 . 1 . . . . 59 GLU CB . 10317 1 688 . 1 1 59 59 GLU CG C 13 36.129 0.300 . 1 . . . . 59 GLU CG . 10317 1 689 . 1 1 59 59 GLU N N 15 119.694 0.300 . 1 . . . . 59 GLU N . 10317 1 690 . 1 1 60 60 GLY H H 1 8.542 0.030 . 1 . . . . 60 GLY H . 10317 1 691 . 1 1 60 60 GLY HA2 H 1 4.112 0.030 . 2 . . . . 60 GLY HA2 . 10317 1 692 . 1 1 60 60 GLY HA3 H 1 3.814 0.030 . 2 . . . . 60 GLY HA3 . 10317 1 693 . 1 1 60 60 GLY C C 13 173.221 0.300 . 1 . . . . 60 GLY C . 10317 1 694 . 1 1 60 60 GLY CA C 13 45.704 0.300 . 1 . . . . 60 GLY CA . 10317 1 695 . 1 1 60 60 GLY N N 15 112.541 0.300 . 1 . . . . 60 GLY N . 10317 1 696 . 1 1 61 61 ILE H H 1 8.519 0.030 . 1 . . . . 61 ILE H . 10317 1 697 . 1 1 61 61 ILE HA H 1 3.177 0.030 . 1 . . . . 61 ILE HA . 10317 1 698 . 1 1 61 61 ILE HB H 1 1.620 0.030 . 1 . . . . 61 ILE HB . 10317 1 699 . 1 1 61 61 ILE HD11 H 1 0.844 0.030 . 1 . . . . 61 ILE HD1 . 10317 1 700 . 1 1 61 61 ILE HD12 H 1 0.844 0.030 . 1 . . . . 61 ILE HD1 . 10317 1 701 . 1 1 61 61 ILE HD13 H 1 0.844 0.030 . 1 . . . . 61 ILE HD1 . 10317 1 702 . 1 1 61 61 ILE HG12 H 1 1.494 0.030 . 2 . . . . 61 ILE HG12 . 10317 1 703 . 1 1 61 61 ILE HG13 H 1 0.695 0.030 . 2 . . . . 61 ILE HG13 . 10317 1 704 . 1 1 61 61 ILE HG21 H 1 0.693 0.030 . 1 . . . . 61 ILE HG2 . 10317 1 705 . 1 1 61 61 ILE HG22 H 1 0.693 0.030 . 1 . . . . 61 ILE HG2 . 10317 1 706 . 1 1 61 61 ILE HG23 H 1 0.693 0.030 . 1 . . . . 61 ILE HG2 . 10317 1 707 . 1 1 61 61 ILE C C 13 176.750 0.300 . 1 . . . . 61 ILE C . 10317 1 708 . 1 1 61 61 ILE CA C 13 62.614 0.300 . 1 . . . . 61 ILE CA . 10317 1 709 . 1 1 61 61 ILE CB C 13 38.841 0.300 . 1 . . . . 61 ILE CB . 10317 1 710 . 1 1 61 61 ILE CD1 C 13 14.813 0.300 . 1 . . . . 61 ILE CD1 . 10317 1 711 . 1 1 61 61 ILE CG1 C 13 29.580 0.300 . 1 . . . . 61 ILE CG1 . 10317 1 712 . 1 1 61 61 ILE CG2 C 13 18.063 0.300 . 1 . . . . 61 ILE CG2 . 10317 1 713 . 1 1 61 61 ILE N N 15 126.211 0.300 . 1 . . . . 61 ILE N . 10317 1 714 . 1 1 62 62 LEU H H 1 8.806 0.030 . 1 . . . . 62 LEU H . 10317 1 715 . 1 1 62 62 LEU HA H 1 4.217 0.030 . 1 . . . . 62 LEU HA . 10317 1 716 . 1 1 62 62 LEU HB2 H 1 1.268 0.030 . 2 . . . . 62 LEU HB2 . 10317 1 717 . 1 1 62 62 LEU HB3 H 1 1.309 0.030 . 2 . . . . 62 LEU HB3 . 10317 1 718 . 1 1 62 62 LEU HD11 H 1 0.850 0.030 . 1 . . . . 62 LEU HD1 . 10317 1 719 . 1 1 62 62 LEU HD12 H 1 0.850 0.030 . 1 . . . . 62 LEU HD1 . 10317 1 720 . 1 1 62 62 LEU HD13 H 1 0.850 0.030 . 1 . . . . 62 LEU HD1 . 10317 1 721 . 1 1 62 62 LEU HD21 H 1 0.870 0.030 . 1 . . . . 62 LEU HD2 . 10317 1 722 . 1 1 62 62 LEU HD22 H 1 0.870 0.030 . 1 . . . . 62 LEU HD2 . 10317 1 723 . 1 1 62 62 LEU HD23 H 1 0.870 0.030 . 1 . . . . 62 LEU HD2 . 10317 1 724 . 1 1 62 62 LEU HG H 1 1.725 0.030 . 1 . . . . 62 LEU HG . 10317 1 725 . 1 1 62 62 LEU C C 13 177.067 0.300 . 1 . . . . 62 LEU C . 10317 1 726 . 1 1 62 62 LEU CA C 13 55.063 0.300 . 1 . . . . 62 LEU CA . 10317 1 727 . 1 1 62 62 LEU CB C 13 42.629 0.300 . 1 . . . . 62 LEU CB . 10317 1 728 . 1 1 62 62 LEU CD1 C 13 25.457 0.300 . 2 . . . . 62 LEU CD1 . 10317 1 729 . 1 1 62 62 LEU CD2 C 13 22.126 0.300 . 2 . . . . 62 LEU CD2 . 10317 1 730 . 1 1 62 62 LEU CG C 13 27.087 0.300 . 1 . . . . 62 LEU CG . 10317 1 731 . 1 1 62 62 LEU N N 15 128.750 0.300 . 1 . . . . 62 LEU N . 10317 1 732 . 1 1 63 63 GLY H H 1 6.360 0.030 . 1 . . . . 63 GLY H . 10317 1 733 . 1 1 63 63 GLY HA2 H 1 3.724 0.030 . 2 . . . . 63 GLY HA2 . 10317 1 734 . 1 1 63 63 GLY HA3 H 1 3.431 0.030 . 2 . . . . 63 GLY HA3 . 10317 1 735 . 1 1 63 63 GLY C C 13 169.060 0.300 . 1 . . . . 63 GLY C . 10317 1 736 . 1 1 63 63 GLY CA C 13 44.774 0.300 . 1 . . . . 63 GLY CA . 10317 1 737 . 1 1 63 63 GLY N N 15 105.622 0.300 . 1 . . . . 63 GLY N . 10317 1 738 . 1 1 64 64 SER H H 1 8.005 0.030 . 1 . . . . 64 SER H . 10317 1 739 . 1 1 64 64 SER HA H 1 5.303 0.030 . 1 . . . . 64 SER HA . 10317 1 740 . 1 1 64 64 SER HB2 H 1 3.546 0.030 . 2 . . . . 64 SER HB2 . 10317 1 741 . 1 1 64 64 SER HB3 H 1 3.173 0.030 . 2 . . . . 64 SER HB3 . 10317 1 742 . 1 1 64 64 SER C C 13 173.715 0.300 . 1 . . . . 64 SER C . 10317 1 743 . 1 1 64 64 SER CA C 13 55.906 0.300 . 1 . . . . 64 SER CA . 10317 1 744 . 1 1 64 64 SER CB C 13 66.636 0.300 . 1 . . . . 64 SER CB . 10317 1 745 . 1 1 64 64 SER N N 15 110.335 0.300 . 1 . . . . 64 SER N . 10317 1 746 . 1 1 65 65 ILE H H 1 8.787 0.030 . 1 . . . . 65 ILE H . 10317 1 747 . 1 1 65 65 ILE HA H 1 4.029 0.030 . 1 . . . . 65 ILE HA . 10317 1 748 . 1 1 65 65 ILE HB H 1 1.439 0.030 . 1 . . . . 65 ILE HB . 10317 1 749 . 1 1 65 65 ILE HD11 H 1 0.181 0.030 . 1 . . . . 65 ILE HD1 . 10317 1 750 . 1 1 65 65 ILE HD12 H 1 0.181 0.030 . 1 . . . . 65 ILE HD1 . 10317 1 751 . 1 1 65 65 ILE HD13 H 1 0.181 0.030 . 1 . . . . 65 ILE HD1 . 10317 1 752 . 1 1 65 65 ILE HG12 H 1 1.258 0.030 . 2 . . . . 65 ILE HG12 . 10317 1 753 . 1 1 65 65 ILE HG13 H 1 0.554 0.030 . 2 . . . . 65 ILE HG13 . 10317 1 754 . 1 1 65 65 ILE HG21 H 1 0.178 0.030 . 1 . . . . 65 ILE HG2 . 10317 1 755 . 1 1 65 65 ILE HG22 H 1 0.178 0.030 . 1 . . . . 65 ILE HG2 . 10317 1 756 . 1 1 65 65 ILE HG23 H 1 0.178 0.030 . 1 . . . . 65 ILE HG2 . 10317 1 757 . 1 1 65 65 ILE C C 13 173.732 0.300 . 1 . . . . 65 ILE C . 10317 1 758 . 1 1 65 65 ILE CA C 13 60.876 0.300 . 1 . . . . 65 ILE CA . 10317 1 759 . 1 1 65 65 ILE CB C 13 42.335 0.300 . 1 . . . . 65 ILE CB . 10317 1 760 . 1 1 65 65 ILE CD1 C 13 13.772 0.300 . 1 . . . . 65 ILE CD1 . 10317 1 761 . 1 1 65 65 ILE CG1 C 13 26.892 0.300 . 1 . . . . 65 ILE CG1 . 10317 1 762 . 1 1 65 65 ILE CG2 C 13 17.354 0.300 . 1 . . . . 65 ILE CG2 . 10317 1 763 . 1 1 65 65 ILE N N 15 122.267 0.300 . 1 . . . . 65 ILE N . 10317 1 764 . 1 1 66 66 LEU H H 1 8.496 0.030 . 1 . . . . 66 LEU H . 10317 1 765 . 1 1 66 66 LEU HA H 1 4.446 0.030 . 1 . . . . 66 LEU HA . 10317 1 766 . 1 1 66 66 LEU HB2 H 1 1.907 0.030 . 2 . . . . 66 LEU HB2 . 10317 1 767 . 1 1 66 66 LEU HB3 H 1 1.436 0.030 . 2 . . . . 66 LEU HB3 . 10317 1 768 . 1 1 66 66 LEU HD11 H 1 0.926 0.030 . 1 . . . . 66 LEU HD1 . 10317 1 769 . 1 1 66 66 LEU HD12 H 1 0.926 0.030 . 1 . . . . 66 LEU HD1 . 10317 1 770 . 1 1 66 66 LEU HD13 H 1 0.926 0.030 . 1 . . . . 66 LEU HD1 . 10317 1 771 . 1 1 66 66 LEU HD21 H 1 0.955 0.030 . 1 . . . . 66 LEU HD2 . 10317 1 772 . 1 1 66 66 LEU HD22 H 1 0.955 0.030 . 1 . . . . 66 LEU HD2 . 10317 1 773 . 1 1 66 66 LEU HD23 H 1 0.955 0.030 . 1 . . . . 66 LEU HD2 . 10317 1 774 . 1 1 66 66 LEU HG H 1 1.645 0.030 . 1 . . . . 66 LEU HG . 10317 1 775 . 1 1 66 66 LEU C C 13 176.526 0.300 . 1 . . . . 66 LEU C . 10317 1 776 . 1 1 66 66 LEU CA C 13 55.433 0.300 . 1 . . . . 66 LEU CA . 10317 1 777 . 1 1 66 66 LEU CB C 13 42.129 0.300 . 1 . . . . 66 LEU CB . 10317 1 778 . 1 1 66 66 LEU CD1 C 13 23.584 0.300 . 2 . . . . 66 LEU CD1 . 10317 1 779 . 1 1 66 66 LEU CD2 C 13 25.827 0.300 . 2 . . . . 66 LEU CD2 . 10317 1 780 . 1 1 66 66 LEU CG C 13 27.545 0.300 . 1 . . . . 66 LEU CG . 10317 1 781 . 1 1 66 66 LEU N N 15 131.399 0.300 . 1 . . . . 66 LEU N . 10317 1 782 . 1 1 67 67 LEU H H 1 8.170 0.030 . 1 . . . . 67 LEU H . 10317 1 783 . 1 1 67 67 LEU HA H 1 4.236 0.030 . 1 . . . . 67 LEU HA . 10317 1 784 . 1 1 67 67 LEU HB2 H 1 1.875 0.030 . 2 . . . . 67 LEU HB2 . 10317 1 785 . 1 1 67 67 LEU HB3 H 1 1.155 0.030 . 2 . . . . 67 LEU HB3 . 10317 1 786 . 1 1 67 67 LEU HD11 H 1 0.770 0.030 . 1 . . . . 67 LEU HD1 . 10317 1 787 . 1 1 67 67 LEU HD12 H 1 0.770 0.030 . 1 . . . . 67 LEU HD1 . 10317 1 788 . 1 1 67 67 LEU HD13 H 1 0.770 0.030 . 1 . . . . 67 LEU HD1 . 10317 1 789 . 1 1 67 67 LEU HD21 H 1 0.413 0.030 . 1 . . . . 67 LEU HD2 . 10317 1 790 . 1 1 67 67 LEU HD22 H 1 0.413 0.030 . 1 . . . . 67 LEU HD2 . 10317 1 791 . 1 1 67 67 LEU HD23 H 1 0.413 0.030 . 1 . . . . 67 LEU HD2 . 10317 1 792 . 1 1 67 67 LEU HG H 1 1.566 0.030 . 1 . . . . 67 LEU HG . 10317 1 793 . 1 1 67 67 LEU CA C 13 58.339 0.300 . 1 . . . . 67 LEU CA . 10317 1 794 . 1 1 67 67 LEU CB C 13 42.967 0.300 . 1 . . . . 67 LEU CB . 10317 1 795 . 1 1 67 67 LEU CD1 C 13 26.897 0.300 . 2 . . . . 67 LEU CD1 . 10317 1 796 . 1 1 67 67 LEU CD2 C 13 22.027 0.300 . 2 . . . . 67 LEU CD2 . 10317 1 797 . 1 1 67 67 LEU CG C 13 26.897 0.300 . 1 . . . . 67 LEU CG . 10317 1 798 . 1 1 67 67 LEU N N 15 128.374 0.300 . 1 . . . . 67 LEU N . 10317 1 799 . 1 1 68 68 PRO HA H 1 4.603 0.030 . 1 . . . . 68 PRO HA . 10317 1 800 . 1 1 68 68 PRO HB2 H 1 1.844 0.030 . 2 . . . . 68 PRO HB2 . 10317 1 801 . 1 1 68 68 PRO HB3 H 1 2.396 0.030 . 2 . . . . 68 PRO HB3 . 10317 1 802 . 1 1 68 68 PRO HD2 H 1 4.265 0.030 . 2 . . . . 68 PRO HD2 . 10317 1 803 . 1 1 68 68 PRO HD3 H 1 3.555 0.030 . 2 . . . . 68 PRO HD3 . 10317 1 804 . 1 1 68 68 PRO HG2 H 1 2.195 0.030 . 1 . . . . 68 PRO HG2 . 10317 1 805 . 1 1 68 68 PRO HG3 H 1 2.195 0.030 . 1 . . . . 68 PRO HG3 . 10317 1 806 . 1 1 68 68 PRO C C 13 177.859 0.300 . 1 . . . . 68 PRO C . 10317 1 807 . 1 1 68 68 PRO CA C 13 66.757 0.300 . 1 . . . . 68 PRO CA . 10317 1 808 . 1 1 68 68 PRO CB C 13 31.212 0.300 . 1 . . . . 68 PRO CB . 10317 1 809 . 1 1 68 68 PRO CD C 13 50.152 0.300 . 1 . . . . 68 PRO CD . 10317 1 810 . 1 1 68 68 PRO CG C 13 29.057 0.300 . 1 . . . . 68 PRO CG . 10317 1 811 . 1 1 69 69 SER H H 1 9.134 0.030 . 1 . . . . 69 SER H . 10317 1 812 . 1 1 69 69 SER HA H 1 4.195 0.030 . 1 . . . . 69 SER HA . 10317 1 813 . 1 1 69 69 SER HB2 H 1 3.915 0.030 . 2 . . . . 69 SER HB2 . 10317 1 814 . 1 1 69 69 SER HB3 H 1 4.344 0.030 . 2 . . . . 69 SER HB3 . 10317 1 815 . 1 1 69 69 SER C C 13 174.580 0.300 . 1 . . . . 69 SER C . 10317 1 816 . 1 1 69 69 SER CA C 13 62.474 0.300 . 1 . . . . 69 SER CA . 10317 1 817 . 1 1 69 69 SER CB C 13 63.106 0.300 . 1 . . . . 69 SER CB . 10317 1 818 . 1 1 69 69 SER N N 15 116.979 0.300 . 1 . . . . 69 SER N . 10317 1 819 . 1 1 70 70 PHE H H 1 8.946 0.030 . 1 . . . . 70 PHE H . 10317 1 820 . 1 1 70 70 PHE HA H 1 4.391 0.030 . 1 . . . . 70 PHE HA . 10317 1 821 . 1 1 70 70 PHE HB2 H 1 3.651 0.030 . 2 . . . . 70 PHE HB2 . 10317 1 822 . 1 1 70 70 PHE HB3 H 1 2.595 0.030 . 2 . . . . 70 PHE HB3 . 10317 1 823 . 1 1 70 70 PHE HD1 H 1 7.293 0.030 . 1 . . . . 70 PHE HD1 . 10317 1 824 . 1 1 70 70 PHE HD2 H 1 7.293 0.030 . 1 . . . . 70 PHE HD2 . 10317 1 825 . 1 1 70 70 PHE HE1 H 1 7.493 0.030 . 1 . . . . 70 PHE HE1 . 10317 1 826 . 1 1 70 70 PHE HE2 H 1 7.493 0.030 . 1 . . . . 70 PHE HE2 . 10317 1 827 . 1 1 70 70 PHE HZ H 1 7.416 0.030 . 1 . . . . 70 PHE HZ . 10317 1 828 . 1 1 70 70 PHE C C 13 175.686 0.300 . 1 . . . . 70 PHE C . 10317 1 829 . 1 1 70 70 PHE CA C 13 60.665 0.300 . 1 . . . . 70 PHE CA . 10317 1 830 . 1 1 70 70 PHE CB C 13 39.910 0.300 . 1 . . . . 70 PHE CB . 10317 1 831 . 1 1 70 70 PHE CD1 C 13 131.556 0.300 . 1 . . . . 70 PHE CD1 . 10317 1 832 . 1 1 70 70 PHE CD2 C 13 131.556 0.300 . 1 . . . . 70 PHE CD2 . 10317 1 833 . 1 1 70 70 PHE CE1 C 13 132.226 0.300 . 1 . . . . 70 PHE CE1 . 10317 1 834 . 1 1 70 70 PHE CE2 C 13 132.226 0.300 . 1 . . . . 70 PHE CE2 . 10317 1 835 . 1 1 70 70 PHE CZ C 13 129.810 0.300 . 1 . . . . 70 PHE CZ . 10317 1 836 . 1 1 70 70 PHE N N 15 121.888 0.300 . 1 . . . . 70 PHE N . 10317 1 837 . 1 1 71 71 GLN H H 1 9.264 0.030 . 1 . . . . 71 GLN H . 10317 1 838 . 1 1 71 71 GLN HA H 1 4.651 0.030 . 1 . . . . 71 GLN HA . 10317 1 839 . 1 1 71 71 GLN HB2 H 1 2.074 0.030 . 2 . . . . 71 GLN HB2 . 10317 1 840 . 1 1 71 71 GLN HB3 H 1 2.106 0.030 . 2 . . . . 71 GLN HB3 . 10317 1 841 . 1 1 71 71 GLN HE21 H 1 7.445 0.030 . 2 . . . . 71 GLN HE21 . 10317 1 842 . 1 1 71 71 GLN HE22 H 1 6.769 0.030 . 2 . . . . 71 GLN HE22 . 10317 1 843 . 1 1 71 71 GLN HG2 H 1 2.406 0.030 . 2 . . . . 71 GLN HG2 . 10317 1 844 . 1 1 71 71 GLN HG3 H 1 2.247 0.030 . 2 . . . . 71 GLN HG3 . 10317 1 845 . 1 1 71 71 GLN C C 13 175.407 0.300 . 1 . . . . 71 GLN C . 10317 1 846 . 1 1 71 71 GLN CA C 13 54.607 0.300 . 1 . . . . 71 GLN CA . 10317 1 847 . 1 1 71 71 GLN CB C 13 29.759 0.300 . 1 . . . . 71 GLN CB . 10317 1 848 . 1 1 71 71 GLN CG C 13 33.992 0.300 . 1 . . . . 71 GLN CG . 10317 1 849 . 1 1 71 71 GLN N N 15 119.175 0.300 . 1 . . . . 71 GLN N . 10317 1 850 . 1 1 71 71 GLN NE2 N 15 111.786 0.300 . 1 . . . . 71 GLN NE2 . 10317 1 851 . 1 1 72 72 ILE H H 1 8.494 0.030 . 1 . . . . 72 ILE H . 10317 1 852 . 1 1 72 72 ILE HA H 1 5.340 0.030 . 1 . . . . 72 ILE HA . 10317 1 853 . 1 1 72 72 ILE HB H 1 2.157 0.030 . 1 . . . . 72 ILE HB . 10317 1 854 . 1 1 72 72 ILE HD11 H 1 0.810 0.030 . 1 . . . . 72 ILE HD1 . 10317 1 855 . 1 1 72 72 ILE HD12 H 1 0.810 0.030 . 1 . . . . 72 ILE HD1 . 10317 1 856 . 1 1 72 72 ILE HD13 H 1 0.810 0.030 . 1 . . . . 72 ILE HD1 . 10317 1 857 . 1 1 72 72 ILE HG12 H 1 1.136 0.030 . 2 . . . . 72 ILE HG12 . 10317 1 858 . 1 1 72 72 ILE HG13 H 1 1.654 0.030 . 2 . . . . 72 ILE HG13 . 10317 1 859 . 1 1 72 72 ILE HG21 H 1 0.997 0.030 . 1 . . . . 72 ILE HG2 . 10317 1 860 . 1 1 72 72 ILE HG22 H 1 0.997 0.030 . 1 . . . . 72 ILE HG2 . 10317 1 861 . 1 1 72 72 ILE HG23 H 1 0.997 0.030 . 1 . . . . 72 ILE HG2 . 10317 1 862 . 1 1 72 72 ILE C C 13 175.835 0.300 . 1 . . . . 72 ILE C . 10317 1 863 . 1 1 72 72 ILE CA C 13 58.473 0.300 . 1 . . . . 72 ILE CA . 10317 1 864 . 1 1 72 72 ILE CB C 13 35.841 0.300 . 1 . . . . 72 ILE CB . 10317 1 865 . 1 1 72 72 ILE CD1 C 13 10.937 0.300 . 1 . . . . 72 ILE CD1 . 10317 1 866 . 1 1 72 72 ILE CG1 C 13 26.433 0.300 . 1 . . . . 72 ILE CG1 . 10317 1 867 . 1 1 72 72 ILE CG2 C 13 17.874 0.300 . 1 . . . . 72 ILE CG2 . 10317 1 868 . 1 1 72 72 ILE N N 15 127.432 0.300 . 1 . . . . 72 ILE N . 10317 1 869 . 1 1 73 73 ALA H H 1 9.153 0.030 . 1 . . . . 73 ALA H . 10317 1 870 . 1 1 73 73 ALA HA H 1 4.846 0.030 . 1 . . . . 73 ALA HA . 10317 1 871 . 1 1 73 73 ALA HB1 H 1 1.422 0.030 . 1 . . . . 73 ALA HB . 10317 1 872 . 1 1 73 73 ALA HB2 H 1 1.422 0.030 . 1 . . . . 73 ALA HB . 10317 1 873 . 1 1 73 73 ALA HB3 H 1 1.422 0.030 . 1 . . . . 73 ALA HB . 10317 1 874 . 1 1 73 73 ALA C C 13 175.898 0.300 . 1 . . . . 73 ALA C . 10317 1 875 . 1 1 73 73 ALA CA C 13 51.376 0.300 . 1 . . . . 73 ALA CA . 10317 1 876 . 1 1 73 73 ALA CB C 13 23.759 0.300 . 1 . . . . 73 ALA CB . 10317 1 877 . 1 1 73 73 ALA N N 15 129.872 0.300 . 1 . . . . 73 ALA N . 10317 1 878 . 1 1 74 74 LEU H H 1 8.254 0.030 . 1 . . . . 74 LEU H . 10317 1 879 . 1 1 74 74 LEU HA H 1 4.575 0.030 . 1 . . . . 74 LEU HA . 10317 1 880 . 1 1 74 74 LEU HB2 H 1 1.806 0.030 . 2 . . . . 74 LEU HB2 . 10317 1 881 . 1 1 74 74 LEU HB3 H 1 1.722 0.030 . 2 . . . . 74 LEU HB3 . 10317 1 882 . 1 1 74 74 LEU HD11 H 1 1.015 0.030 . 1 . . . . 74 LEU HD1 . 10317 1 883 . 1 1 74 74 LEU HD12 H 1 1.015 0.030 . 1 . . . . 74 LEU HD1 . 10317 1 884 . 1 1 74 74 LEU HD13 H 1 1.015 0.030 . 1 . . . . 74 LEU HD1 . 10317 1 885 . 1 1 74 74 LEU HD21 H 1 1.024 0.030 . 1 . . . . 74 LEU HD2 . 10317 1 886 . 1 1 74 74 LEU HD22 H 1 1.024 0.030 . 1 . . . . 74 LEU HD2 . 10317 1 887 . 1 1 74 74 LEU HD23 H 1 1.024 0.030 . 1 . . . . 74 LEU HD2 . 10317 1 888 . 1 1 74 74 LEU HG H 1 1.816 0.030 . 1 . . . . 74 LEU HG . 10317 1 889 . 1 1 74 74 LEU C C 13 177.194 0.300 . 1 . . . . 74 LEU C . 10317 1 890 . 1 1 74 74 LEU CA C 13 54.694 0.300 . 1 . . . . 74 LEU CA . 10317 1 891 . 1 1 74 74 LEU CB C 13 42.129 0.300 . 1 . . . . 74 LEU CB . 10317 1 892 . 1 1 74 74 LEU CD1 C 13 25.503 0.300 . 2 . . . . 74 LEU CD1 . 10317 1 893 . 1 1 74 74 LEU CD2 C 13 23.307 0.300 . 2 . . . . 74 LEU CD2 . 10317 1 894 . 1 1 74 74 LEU CG C 13 27.087 0.300 . 1 . . . . 74 LEU CG . 10317 1 895 . 1 1 74 74 LEU N N 15 119.009 0.300 . 1 . . . . 74 LEU N . 10317 1 896 . 1 1 75 75 LEU H H 1 8.296 0.030 . 1 . . . . 75 LEU H . 10317 1 897 . 1 1 75 75 LEU HA H 1 4.561 0.030 . 1 . . . . 75 LEU HA . 10317 1 898 . 1 1 75 75 LEU HB2 H 1 1.906 0.030 . 2 . . . . 75 LEU HB2 . 10317 1 899 . 1 1 75 75 LEU HB3 H 1 1.718 0.030 . 2 . . . . 75 LEU HB3 . 10317 1 900 . 1 1 75 75 LEU HD11 H 1 0.986 0.030 . 1 . . . . 75 LEU HD1 . 10317 1 901 . 1 1 75 75 LEU HD12 H 1 0.986 0.030 . 1 . . . . 75 LEU HD1 . 10317 1 902 . 1 1 75 75 LEU HD13 H 1 0.986 0.030 . 1 . . . . 75 LEU HD1 . 10317 1 903 . 1 1 75 75 LEU HD21 H 1 0.960 0.030 . 1 . . . . 75 LEU HD2 . 10317 1 904 . 1 1 75 75 LEU HD22 H 1 0.960 0.030 . 1 . . . . 75 LEU HD2 . 10317 1 905 . 1 1 75 75 LEU HD23 H 1 0.960 0.030 . 1 . . . . 75 LEU HD2 . 10317 1 906 . 1 1 75 75 LEU HG H 1 1.814 0.030 . 1 . . . . 75 LEU HG . 10317 1 907 . 1 1 75 75 LEU C C 13 178.035 0.300 . 1 . . . . 75 LEU C . 10317 1 908 . 1 1 75 75 LEU CA C 13 54.783 0.300 . 1 . . . . 75 LEU CA . 10317 1 909 . 1 1 75 75 LEU CB C 13 41.629 0.300 . 1 . . . . 75 LEU CB . 10317 1 910 . 1 1 75 75 LEU CD1 C 13 27.777 0.300 . 2 . . . . 75 LEU CD1 . 10317 1 911 . 1 1 75 75 LEU CD2 C 13 22.704 0.300 . 2 . . . . 75 LEU CD2 . 10317 1 912 . 1 1 75 75 LEU CG C 13 27.087 0.300 . 1 . . . . 75 LEU CG . 10317 1 913 . 1 1 75 75 LEU N N 15 117.102 0.300 . 1 . . . . 75 LEU N . 10317 1 914 . 1 1 76 76 THR H H 1 9.306 0.030 . 1 . . . . 76 THR H . 10317 1 915 . 1 1 76 76 THR HA H 1 4.801 0.030 . 1 . . . . 76 THR HA . 10317 1 916 . 1 1 76 76 THR HB H 1 4.607 0.030 . 1 . . . . 76 THR HB . 10317 1 917 . 1 1 76 76 THR HG21 H 1 1.226 0.030 . 1 . . . . 76 THR HG2 . 10317 1 918 . 1 1 76 76 THR HG22 H 1 1.226 0.030 . 1 . . . . 76 THR HG2 . 10317 1 919 . 1 1 76 76 THR HG23 H 1 1.226 0.030 . 1 . . . . 76 THR HG2 . 10317 1 920 . 1 1 76 76 THR C C 13 177.302 0.300 . 1 . . . . 76 THR C . 10317 1 921 . 1 1 76 76 THR CA C 13 59.945 0.300 . 1 . . . . 76 THR CA . 10317 1 922 . 1 1 76 76 THR CB C 13 72.115 0.300 . 1 . . . . 76 THR CB . 10317 1 923 . 1 1 76 76 THR CG2 C 13 21.537 0.300 . 1 . . . . 76 THR CG2 . 10317 1 924 . 1 1 76 76 THR N N 15 112.280 0.300 . 1 . . . . 76 THR N . 10317 1 925 . 1 1 77 77 SER HA H 1 4.165 0.030 . 1 . . . . 77 SER HA . 10317 1 926 . 1 1 77 77 SER HB2 H 1 3.923 0.030 . 1 . . . . 77 SER HB2 . 10317 1 927 . 1 1 77 77 SER HB3 H 1 3.923 0.030 . 1 . . . . 77 SER HB3 . 10317 1 928 . 1 1 77 77 SER C C 13 176.224 0.300 . 1 . . . . 77 SER C . 10317 1 929 . 1 1 77 77 SER CA C 13 61.350 0.300 . 1 . . . . 77 SER CA . 10317 1 930 . 1 1 77 77 SER CB C 13 62.525 0.300 . 1 . . . . 77 SER CB . 10317 1 931 . 1 1 78 78 GLU H H 1 8.122 0.030 . 1 . . . . 78 GLU H . 10317 1 932 . 1 1 78 78 GLU HA H 1 3.925 0.030 . 1 . . . . 78 GLU HA . 10317 1 933 . 1 1 78 78 GLU HB2 H 1 2.003 0.030 . 2 . . . . 78 GLU HB2 . 10317 1 934 . 1 1 78 78 GLU HB3 H 1 1.783 0.030 . 2 . . . . 78 GLU HB3 . 10317 1 935 . 1 1 78 78 GLU HG2 H 1 2.245 0.030 . 1 . . . . 78 GLU HG2 . 10317 1 936 . 1 1 78 78 GLU HG3 H 1 2.245 0.030 . 1 . . . . 78 GLU HG3 . 10317 1 937 . 1 1 78 78 GLU C C 13 176.388 0.300 . 1 . . . . 78 GLU C . 10317 1 938 . 1 1 78 78 GLU CA C 13 57.592 0.300 . 1 . . . . 78 GLU CA . 10317 1 939 . 1 1 78 78 GLU CB C 13 29.272 0.300 . 1 . . . . 78 GLU CB . 10317 1 940 . 1 1 78 78 GLU CG C 13 36.627 0.300 . 1 . . . . 78 GLU CG . 10317 1 941 . 1 1 78 78 GLU N N 15 119.310 0.300 . 1 . . . . 78 GLU N . 10317 1 942 . 1 1 79 79 ASP H H 1 7.680 0.030 . 1 . . . . 79 ASP H . 10317 1 943 . 1 1 79 79 ASP HA H 1 4.524 0.030 . 1 . . . . 79 ASP HA . 10317 1 944 . 1 1 79 79 ASP HB2 H 1 2.944 0.030 . 2 . . . . 79 ASP HB2 . 10317 1 945 . 1 1 79 79 ASP HB3 H 1 2.576 0.030 . 2 . . . . 79 ASP HB3 . 10317 1 946 . 1 1 79 79 ASP C C 13 175.287 0.300 . 1 . . . . 79 ASP C . 10317 1 947 . 1 1 79 79 ASP CA C 13 56.064 0.300 . 1 . . . . 79 ASP CA . 10317 1 948 . 1 1 79 79 ASP CB C 13 42.967 0.300 . 1 . . . . 79 ASP CB . 10317 1 949 . 1 1 79 79 ASP N N 15 117.188 0.300 . 1 . . . . 79 ASP N . 10317 1 950 . 1 1 80 80 HIS H H 1 7.726 0.030 . 1 . . . . 80 HIS H . 10317 1 951 . 1 1 80 80 HIS HA H 1 4.285 0.030 . 1 . . . . 80 HIS HA . 10317 1 952 . 1 1 80 80 HIS HB2 H 1 3.219 0.030 . 2 . . . . 80 HIS HB2 . 10317 1 953 . 1 1 80 80 HIS HB3 H 1 3.092 0.030 . 2 . . . . 80 HIS HB3 . 10317 1 954 . 1 1 80 80 HIS HD2 H 1 7.036 0.030 . 1 . . . . 80 HIS HD2 . 10317 1 955 . 1 1 80 80 HIS HE1 H 1 8.092 0.030 . 1 . . . . 80 HIS HE1 . 10317 1 956 . 1 1 80 80 HIS C C 13 173.829 0.300 . 1 . . . . 80 HIS C . 10317 1 957 . 1 1 80 80 HIS CA C 13 56.468 0.300 . 1 . . . . 80 HIS CA . 10317 1 958 . 1 1 80 80 HIS CB C 13 27.631 0.300 . 1 . . . . 80 HIS CB . 10317 1 959 . 1 1 80 80 HIS CD2 C 13 120.121 0.300 . 1 . . . . 80 HIS CD2 . 10317 1 960 . 1 1 80 80 HIS CE1 C 13 137.220 0.300 . 1 . . . . 80 HIS CE1 . 10317 1 961 . 1 1 80 80 HIS N N 15 114.899 0.300 . 1 . . . . 80 HIS N . 10317 1 962 . 1 1 81 81 ILE H H 1 8.063 0.030 . 1 . . . . 81 ILE H . 10317 1 963 . 1 1 81 81 ILE HA H 1 4.229 0.030 . 1 . . . . 81 ILE HA . 10317 1 964 . 1 1 81 81 ILE HB H 1 1.585 0.030 . 1 . . . . 81 ILE HB . 10317 1 965 . 1 1 81 81 ILE HD11 H 1 0.238 0.030 . 1 . . . . 81 ILE HD1 . 10317 1 966 . 1 1 81 81 ILE HD12 H 1 0.238 0.030 . 1 . . . . 81 ILE HD1 . 10317 1 967 . 1 1 81 81 ILE HD13 H 1 0.238 0.030 . 1 . . . . 81 ILE HD1 . 10317 1 968 . 1 1 81 81 ILE HG12 H 1 1.178 0.030 . 2 . . . . 81 ILE HG12 . 10317 1 969 . 1 1 81 81 ILE HG13 H 1 0.918 0.030 . 2 . . . . 81 ILE HG13 . 10317 1 970 . 1 1 81 81 ILE HG21 H 1 0.879 0.030 . 1 . . . . 81 ILE HG2 . 10317 1 971 . 1 1 81 81 ILE HG22 H 1 0.879 0.030 . 1 . . . . 81 ILE HG2 . 10317 1 972 . 1 1 81 81 ILE HG23 H 1 0.879 0.030 . 1 . . . . 81 ILE HG2 . 10317 1 973 . 1 1 81 81 ILE C C 13 175.098 0.300 . 1 . . . . 81 ILE C . 10317 1 974 . 1 1 81 81 ILE CA C 13 59.524 0.300 . 1 . . . . 81 ILE CA . 10317 1 975 . 1 1 81 81 ILE CB C 13 40.321 0.300 . 1 . . . . 81 ILE CB . 10317 1 976 . 1 1 81 81 ILE CD1 C 13 12.253 0.300 . 1 . . . . 81 ILE CD1 . 10317 1 977 . 1 1 81 81 ILE CG1 C 13 27.382 0.300 . 1 . . . . 81 ILE CG1 . 10317 1 978 . 1 1 81 81 ILE CG2 C 13 18.516 0.300 . 1 . . . . 81 ILE CG2 . 10317 1 979 . 1 1 81 81 ILE N N 15 120.378 0.300 . 1 . . . . 81 ILE N . 10317 1 980 . 1 1 82 82 ASN HA H 1 4.763 0.030 . 1 . . . . 82 ASN HA . 10317 1 981 . 1 1 82 82 ASN HB2 H 1 2.725 0.030 . 2 . . . . 82 ASN HB2 . 10317 1 982 . 1 1 82 82 ASN HB3 H 1 2.757 0.030 . 2 . . . . 82 ASN HB3 . 10317 1 983 . 1 1 82 82 ASN HD21 H 1 6.827 0.030 . 2 . . . . 82 ASN HD21 . 10317 1 984 . 1 1 82 82 ASN HD22 H 1 7.529 0.030 . 2 . . . . 82 ASN HD22 . 10317 1 985 . 1 1 82 82 ASN C C 13 174.396 0.300 . 1 . . . . 82 ASN C . 10317 1 986 . 1 1 82 82 ASN CA C 13 52.254 0.300 . 1 . . . . 82 ASN CA . 10317 1 987 . 1 1 82 82 ASN CB C 13 38.349 0.300 . 1 . . . . 82 ASN CB . 10317 1 988 . 1 1 82 82 ASN ND2 N 15 112.256 0.300 . 1 . . . . 82 ASN ND2 . 10317 1 989 . 1 1 83 83 ARG H H 1 6.996 0.030 . 1 . . . . 83 ARG H . 10317 1 990 . 1 1 83 83 ARG HA H 1 4.085 0.030 . 1 . . . . 83 ARG HA . 10317 1 991 . 1 1 83 83 ARG HB2 H 1 1.290 0.030 . 2 . . . . 83 ARG HB2 . 10317 1 992 . 1 1 83 83 ARG HB3 H 1 1.165 0.030 . 2 . . . . 83 ARG HB3 . 10317 1 993 . 1 1 83 83 ARG HD2 H 1 2.347 0.030 . 2 . . . . 83 ARG HD2 . 10317 1 994 . 1 1 83 83 ARG HD3 H 1 1.998 0.030 . 2 . . . . 83 ARG HD3 . 10317 1 995 . 1 1 83 83 ARG HG2 H 1 0.836 0.030 . 1 . . . . 83 ARG HG2 . 10317 1 996 . 1 1 83 83 ARG HG3 H 1 0.836 0.030 . 1 . . . . 83 ARG HG3 . 10317 1 997 . 1 1 83 83 ARG C C 13 174.593 0.300 . 1 . . . . 83 ARG C . 10317 1 998 . 1 1 83 83 ARG CA C 13 54.879 0.300 . 1 . . . . 83 ARG CA . 10317 1 999 . 1 1 83 83 ARG CB C 13 32.184 0.300 . 1 . . . . 83 ARG CB . 10317 1 1000 . 1 1 83 83 ARG CD C 13 42.149 0.300 . 1 . . . . 83 ARG CD . 10317 1 1001 . 1 1 83 83 ARG CG C 13 26.069 0.300 . 1 . . . . 83 ARG CG . 10317 1 1002 . 1 1 83 83 ARG N N 15 121.463 0.300 . 1 . . . . 83 ARG N . 10317 1 1003 . 1 1 84 84 LYS H H 1 8.109 0.030 . 1 . . . . 84 LYS H . 10317 1 1004 . 1 1 84 84 LYS HA H 1 3.766 0.030 . 1 . . . . 84 LYS HA . 10317 1 1005 . 1 1 84 84 LYS HB2 H 1 1.177 0.030 . 2 . . . . 84 LYS HB2 . 10317 1 1006 . 1 1 84 84 LYS HB3 H 1 0.760 0.030 . 2 . . . . 84 LYS HB3 . 10317 1 1007 . 1 1 84 84 LYS HD2 H 1 1.371 0.030 . 1 . . . . 84 LYS HD2 . 10317 1 1008 . 1 1 84 84 LYS HD3 H 1 1.371 0.030 . 1 . . . . 84 LYS HD3 . 10317 1 1009 . 1 1 84 84 LYS HE2 H 1 2.806 0.030 . 1 . . . . 84 LYS HE2 . 10317 1 1010 . 1 1 84 84 LYS HE3 H 1 2.806 0.030 . 1 . . . . 84 LYS HE3 . 10317 1 1011 . 1 1 84 84 LYS HG2 H 1 0.780 0.030 . 2 . . . . 84 LYS HG2 . 10317 1 1012 . 1 1 84 84 LYS HG3 H 1 1.018 0.030 . 2 . . . . 84 LYS HG3 . 10317 1 1013 . 1 1 84 84 LYS C C 13 176.016 0.300 . 1 . . . . 84 LYS C . 10317 1 1014 . 1 1 84 84 LYS CA C 13 57.346 0.300 . 1 . . . . 84 LYS CA . 10317 1 1015 . 1 1 84 84 LYS CB C 13 32.965 0.300 . 1 . . . . 84 LYS CB . 10317 1 1016 . 1 1 84 84 LYS CD C 13 29.150 0.300 . 1 . . . . 84 LYS CD . 10317 1 1017 . 1 1 84 84 LYS CE C 13 41.987 0.300 . 1 . . . . 84 LYS CE . 10317 1 1018 . 1 1 84 84 LYS CG C 13 24.840 0.300 . 1 . . . . 84 LYS CG . 10317 1 1019 . 1 1 84 84 LYS N N 15 124.530 0.300 . 1 . . . . 84 LYS N . 10317 1 1020 . 1 1 85 85 TYR H H 1 8.335 0.030 . 1 . . . . 85 TYR H . 10317 1 1021 . 1 1 85 85 TYR HA H 1 4.704 0.030 . 1 . . . . 85 TYR HA . 10317 1 1022 . 1 1 85 85 TYR HB2 H 1 3.227 0.030 . 2 . . . . 85 TYR HB2 . 10317 1 1023 . 1 1 85 85 TYR HB3 H 1 3.173 0.030 . 2 . . . . 85 TYR HB3 . 10317 1 1024 . 1 1 85 85 TYR HD1 H 1 6.965 0.030 . 1 . . . . 85 TYR HD1 . 10317 1 1025 . 1 1 85 85 TYR HD2 H 1 6.965 0.030 . 1 . . . . 85 TYR HD2 . 10317 1 1026 . 1 1 85 85 TYR HE1 H 1 6.772 0.030 . 1 . . . . 85 TYR HE1 . 10317 1 1027 . 1 1 85 85 TYR HE2 H 1 6.772 0.030 . 1 . . . . 85 TYR HE2 . 10317 1 1028 . 1 1 85 85 TYR C C 13 173.960 0.300 . 1 . . . . 85 TYR C . 10317 1 1029 . 1 1 85 85 TYR CA C 13 57.171 0.300 . 1 . . . . 85 TYR CA . 10317 1 1030 . 1 1 85 85 TYR CB C 13 34.722 0.300 . 1 . . . . 85 TYR CB . 10317 1 1031 . 1 1 85 85 TYR CD1 C 13 132.860 0.300 . 1 . . . . 85 TYR CD1 . 10317 1 1032 . 1 1 85 85 TYR CD2 C 13 132.860 0.300 . 1 . . . . 85 TYR CD2 . 10317 1 1033 . 1 1 85 85 TYR CE1 C 13 117.894 0.300 . 1 . . . . 85 TYR CE1 . 10317 1 1034 . 1 1 85 85 TYR CE2 C 13 117.894 0.300 . 1 . . . . 85 TYR CE2 . 10317 1 1035 . 1 1 85 85 TYR N N 15 116.808 0.300 . 1 . . . . 85 TYR N . 10317 1 1036 . 1 1 86 86 ALA H H 1 7.117 0.030 . 1 . . . . 86 ALA H . 10317 1 1037 . 1 1 86 86 ALA HA H 1 5.647 0.030 . 1 . . . . 86 ALA HA . 10317 1 1038 . 1 1 86 86 ALA HB1 H 1 1.259 0.030 . 1 . . . . 86 ALA HB . 10317 1 1039 . 1 1 86 86 ALA HB2 H 1 1.259 0.030 . 1 . . . . 86 ALA HB . 10317 1 1040 . 1 1 86 86 ALA HB3 H 1 1.259 0.030 . 1 . . . . 86 ALA HB . 10317 1 1041 . 1 1 86 86 ALA C C 13 176.450 0.300 . 1 . . . . 86 ALA C . 10317 1 1042 . 1 1 86 86 ALA CA C 13 50.041 0.300 . 1 . . . . 86 ALA CA . 10317 1 1043 . 1 1 86 86 ALA CB C 13 23.348 0.300 . 1 . . . . 86 ALA CB . 10317 1 1044 . 1 1 86 86 ALA N N 15 117.646 0.300 . 1 . . . . 86 ALA N . 10317 1 1045 . 1 1 87 87 PHE H H 1 9.171 0.030 . 1 . . . . 87 PHE H . 10317 1 1046 . 1 1 87 87 PHE HA H 1 4.999 0.030 . 1 . . . . 87 PHE HA . 10317 1 1047 . 1 1 87 87 PHE HB2 H 1 3.443 0.030 . 2 . . . . 87 PHE HB2 . 10317 1 1048 . 1 1 87 87 PHE HB3 H 1 3.268 0.030 . 2 . . . . 87 PHE HB3 . 10317 1 1049 . 1 1 87 87 PHE HD1 H 1 7.119 0.030 . 1 . . . . 87 PHE HD1 . 10317 1 1050 . 1 1 87 87 PHE HD2 H 1 7.119 0.030 . 1 . . . . 87 PHE HD2 . 10317 1 1051 . 1 1 87 87 PHE HE1 H 1 7.045 0.030 . 1 . . . . 87 PHE HE1 . 10317 1 1052 . 1 1 87 87 PHE HE2 H 1 7.045 0.030 . 1 . . . . 87 PHE HE2 . 10317 1 1053 . 1 1 87 87 PHE HZ H 1 6.574 0.030 . 1 . . . . 87 PHE HZ . 10317 1 1054 . 1 1 87 87 PHE C C 13 171.661 0.300 . 1 . . . . 87 PHE C . 10317 1 1055 . 1 1 87 87 PHE CA C 13 56.644 0.300 . 1 . . . . 87 PHE CA . 10317 1 1056 . 1 1 87 87 PHE CB C 13 39.992 0.300 . 1 . . . . 87 PHE CB . 10317 1 1057 . 1 1 87 87 PHE CD1 C 13 133.442 0.300 . 1 . . . . 87 PHE CD1 . 10317 1 1058 . 1 1 87 87 PHE CD2 C 13 133.442 0.300 . 1 . . . . 87 PHE CD2 . 10317 1 1059 . 1 1 87 87 PHE CE1 C 13 130.339 0.300 . 1 . . . . 87 PHE CE1 . 10317 1 1060 . 1 1 87 87 PHE CE2 C 13 130.339 0.300 . 1 . . . . 87 PHE CE2 . 10317 1 1061 . 1 1 87 87 PHE CZ C 13 128.770 0.300 . 1 . . . . 87 PHE CZ . 10317 1 1062 . 1 1 87 87 PHE N N 15 115.920 0.300 . 1 . . . . 87 PHE N . 10317 1 1063 . 1 1 88 88 LYS H H 1 9.489 0.030 . 1 . . . . 88 LYS H . 10317 1 1064 . 1 1 88 88 LYS HA H 1 5.710 0.030 . 1 . . . . 88 LYS HA . 10317 1 1065 . 1 1 88 88 LYS HB2 H 1 1.493 0.030 . 2 . . . . 88 LYS HB2 . 10317 1 1066 . 1 1 88 88 LYS HB3 H 1 1.435 0.030 . 2 . . . . 88 LYS HB3 . 10317 1 1067 . 1 1 88 88 LYS HD2 H 1 1.624 0.030 . 2 . . . . 88 LYS HD2 . 10317 1 1068 . 1 1 88 88 LYS HD3 H 1 1.518 0.030 . 2 . . . . 88 LYS HD3 . 10317 1 1069 . 1 1 88 88 LYS HE2 H 1 3.067 0.030 . 2 . . . . 88 LYS HE2 . 10317 1 1070 . 1 1 88 88 LYS HE3 H 1 2.845 0.030 . 2 . . . . 88 LYS HE3 . 10317 1 1071 . 1 1 88 88 LYS HG2 H 1 1.022 0.030 . 2 . . . . 88 LYS HG2 . 10317 1 1072 . 1 1 88 88 LYS HG3 H 1 1.132 0.030 . 2 . . . . 88 LYS HG3 . 10317 1 1073 . 1 1 88 88 LYS C C 13 173.644 0.300 . 1 . . . . 88 LYS C . 10317 1 1074 . 1 1 88 88 LYS CA C 13 53.465 0.300 . 1 . . . . 88 LYS CA . 10317 1 1075 . 1 1 88 88 LYS CB C 13 37.885 0.300 . 1 . . . . 88 LYS CB . 10317 1 1076 . 1 1 88 88 LYS CD C 13 30.859 0.300 . 1 . . . . 88 LYS CD . 10317 1 1077 . 1 1 88 88 LYS CE C 13 42.417 0.300 . 1 . . . . 88 LYS CE . 10317 1 1078 . 1 1 88 88 LYS CG C 13 23.257 0.300 . 1 . . . . 88 LYS CG . 10317 1 1079 . 1 1 88 88 LYS N N 15 115.972 0.300 . 1 . . . . 88 LYS N . 10317 1 1080 . 1 1 89 89 ALA H H 1 8.784 0.030 . 1 . . . . 89 ALA H . 10317 1 1081 . 1 1 89 89 ALA HA H 1 5.595 0.030 . 1 . . . . 89 ALA HA . 10317 1 1082 . 1 1 89 89 ALA HB1 H 1 1.305 0.030 . 1 . . . . 89 ALA HB . 10317 1 1083 . 1 1 89 89 ALA HB2 H 1 1.305 0.030 . 1 . . . . 89 ALA HB . 10317 1 1084 . 1 1 89 89 ALA HB3 H 1 1.305 0.030 . 1 . . . . 89 ALA HB . 10317 1 1085 . 1 1 89 89 ALA C C 13 175.151 0.300 . 1 . . . . 89 ALA C . 10317 1 1086 . 1 1 89 89 ALA CA C 13 50.358 0.300 . 1 . . . . 89 ALA CA . 10317 1 1087 . 1 1 89 89 ALA CB C 13 21.368 0.300 . 1 . . . . 89 ALA CB . 10317 1 1088 . 1 1 89 89 ALA N N 15 122.041 0.300 . 1 . . . . 89 ALA N . 10317 1 1089 . 1 1 90 90 ALA H H 1 9.415 0.030 . 1 . . . . 90 ALA H . 10317 1 1090 . 1 1 90 90 ALA HA H 1 5.265 0.030 . 1 . . . . 90 ALA HA . 10317 1 1091 . 1 1 90 90 ALA HB1 H 1 1.336 0.030 . 1 . . . . 90 ALA HB . 10317 1 1092 . 1 1 90 90 ALA HB2 H 1 1.336 0.030 . 1 . . . . 90 ALA HB . 10317 1 1093 . 1 1 90 90 ALA HB3 H 1 1.336 0.030 . 1 . . . . 90 ALA HB . 10317 1 1094 . 1 1 90 90 ALA C C 13 175.546 0.300 . 1 . . . . 90 ALA C . 10317 1 1095 . 1 1 90 90 ALA CA C 13 50.674 0.300 . 1 . . . . 90 ALA CA . 10317 1 1096 . 1 1 90 90 ALA CB C 13 23.370 0.300 . 1 . . . . 90 ALA CB . 10317 1 1097 . 1 1 90 90 ALA N N 15 126.386 0.300 . 1 . . . . 90 ALA N . 10317 1 1098 . 1 1 91 91 HIS H H 1 8.487 0.030 . 1 . . . . 91 HIS H . 10317 1 1099 . 1 1 91 91 HIS HA H 1 4.453 0.030 . 1 . . . . 91 HIS HA . 10317 1 1100 . 1 1 91 91 HIS HB2 H 1 1.822 0.030 . 2 . . . . 91 HIS HB2 . 10317 1 1101 . 1 1 91 91 HIS HB3 H 1 2.405 0.030 . 2 . . . . 91 HIS HB3 . 10317 1 1102 . 1 1 91 91 HIS HD2 H 1 6.474 0.030 . 1 . . . . 91 HIS HD2 . 10317 1 1103 . 1 1 91 91 HIS HE1 H 1 7.722 0.030 . 1 . . . . 91 HIS HE1 . 10317 1 1104 . 1 1 91 91 HIS C C 13 174.468 0.300 . 1 . . . . 91 HIS C . 10317 1 1105 . 1 1 91 91 HIS CA C 13 55.028 0.300 . 1 . . . . 91 HIS CA . 10317 1 1106 . 1 1 91 91 HIS CB C 13 33.590 0.300 . 1 . . . . 91 HIS CB . 10317 1 1107 . 1 1 91 91 HIS CD2 C 13 119.044 0.300 . 1 . . . . 91 HIS CD2 . 10317 1 1108 . 1 1 91 91 HIS CE1 C 13 138.306 0.300 . 1 . . . . 91 HIS CE1 . 10317 1 1109 . 1 1 91 91 HIS N N 15 124.884 0.300 . 1 . . . . 91 HIS N . 10317 1 1110 . 1 1 92 92 PRO HA H 1 4.233 0.030 . 1 . . . . 92 PRO HA . 10317 1 1111 . 1 1 92 92 PRO HB2 H 1 2.235 0.030 . 2 . . . . 92 PRO HB2 . 10317 1 1112 . 1 1 92 92 PRO HB3 H 1 1.781 0.030 . 2 . . . . 92 PRO HB3 . 10317 1 1113 . 1 1 92 92 PRO HD2 H 1 3.326 0.030 . 2 . . . . 92 PRO HD2 . 10317 1 1114 . 1 1 92 92 PRO HD3 H 1 2.144 0.030 . 2 . . . . 92 PRO HD3 . 10317 1 1115 . 1 1 92 92 PRO HG2 H 1 1.774 0.030 . 2 . . . . 92 PRO HG2 . 10317 1 1116 . 1 1 92 92 PRO HG3 H 1 1.702 0.030 . 2 . . . . 92 PRO HG3 . 10317 1 1117 . 1 1 92 92 PRO CA C 13 64.848 0.300 . 1 . . . . 92 PRO CA . 10317 1 1118 . 1 1 92 92 PRO CB C 13 32.149 0.300 . 1 . . . . 92 PRO CB . 10317 1 1119 . 1 1 92 92 PRO CD C 13 50.745 0.300 . 1 . . . . 92 PRO CD . 10317 1 1120 . 1 1 92 92 PRO CG C 13 27.276 0.300 . 1 . . . . 92 PRO CG . 10317 1 1121 . 1 1 93 93 ASN H H 1 11.022 0.030 . 1 . . . . 93 ASN H . 10317 1 1122 . 1 1 93 93 ASN HA H 1 4.801 0.030 . 1 . . . . 93 ASN HA . 10317 1 1123 . 1 1 93 93 ASN HB2 H 1 2.989 0.030 . 2 . . . . 93 ASN HB2 . 10317 1 1124 . 1 1 93 93 ASN HB3 H 1 2.816 0.030 . 2 . . . . 93 ASN HB3 . 10317 1 1125 . 1 1 93 93 ASN HD21 H 1 7.455 0.030 . 2 . . . . 93 ASN HD21 . 10317 1 1126 . 1 1 93 93 ASN HD22 H 1 6.645 0.030 . 2 . . . . 93 ASN HD22 . 10317 1 1127 . 1 1 93 93 ASN C C 13 175.305 0.300 . 1 . . . . 93 ASN C . 10317 1 1128 . 1 1 93 93 ASN CA C 13 53.237 0.300 . 1 . . . . 93 ASN CA . 10317 1 1129 . 1 1 93 93 ASN CB C 13 39.229 0.300 . 1 . . . . 93 ASN CB . 10317 1 1130 . 1 1 93 93 ASN ND2 N 15 110.316 0.300 . 1 . . . . 93 ASN ND2 . 10317 1 1131 . 1 1 94 94 MET H H 1 8.126 0.030 . 1 . . . . 94 MET H . 10317 1 1132 . 1 1 94 94 MET HA H 1 4.536 0.030 . 1 . . . . 94 MET HA . 10317 1 1133 . 1 1 94 94 MET HB2 H 1 2.184 0.030 . 2 . . . . 94 MET HB2 . 10317 1 1134 . 1 1 94 94 MET HB3 H 1 1.953 0.030 . 2 . . . . 94 MET HB3 . 10317 1 1135 . 1 1 94 94 MET HE1 H 1 1.860 0.030 . 1 . . . . 94 MET HE . 10317 1 1136 . 1 1 94 94 MET HE2 H 1 1.860 0.030 . 1 . . . . 94 MET HE . 10317 1 1137 . 1 1 94 94 MET HE3 H 1 1.860 0.030 . 1 . . . . 94 MET HE . 10317 1 1138 . 1 1 94 94 MET HG2 H 1 2.306 0.030 . 2 . . . . 94 MET HG2 . 10317 1 1139 . 1 1 94 94 MET HG3 H 1 2.257 0.030 . 2 . . . . 94 MET HG3 . 10317 1 1140 . 1 1 94 94 MET C C 13 175.121 0.300 . 1 . . . . 94 MET C . 10317 1 1141 . 1 1 94 94 MET CA C 13 55.853 0.300 . 1 . . . . 94 MET CA . 10317 1 1142 . 1 1 94 94 MET CB C 13 33.363 0.300 . 1 . . . . 94 MET CB . 10317 1 1143 . 1 1 94 94 MET CE C 13 16.987 0.300 . 1 . . . . 94 MET CE . 10317 1 1144 . 1 1 94 94 MET CG C 13 32.266 0.300 . 1 . . . . 94 MET CG . 10317 1 1145 . 1 1 94 94 MET N N 15 116.880 0.300 . 1 . . . . 94 MET N . 10317 1 1146 . 1 1 95 95 ARG H H 1 7.946 0.030 . 1 . . . . 95 ARG H . 10317 1 1147 . 1 1 95 95 ARG HA H 1 4.256 0.030 . 1 . . . . 95 ARG HA . 10317 1 1148 . 1 1 95 95 ARG HB2 H 1 1.715 0.030 . 2 . . . . 95 ARG HB2 . 10317 1 1149 . 1 1 95 95 ARG HB3 H 1 1.683 0.030 . 2 . . . . 95 ARG HB3 . 10317 1 1150 . 1 1 95 95 ARG HD2 H 1 3.078 0.030 . 1 . . . . 95 ARG HD2 . 10317 1 1151 . 1 1 95 95 ARG HD3 H 1 3.078 0.030 . 1 . . . . 95 ARG HD3 . 10317 1 1152 . 1 1 95 95 ARG HG2 H 1 1.484 0.030 . 2 . . . . 95 ARG HG2 . 10317 1 1153 . 1 1 95 95 ARG HG3 H 1 1.334 0.030 . 2 . . . . 95 ARG HG3 . 10317 1 1154 . 1 1 95 95 ARG C C 13 174.394 0.300 . 1 . . . . 95 ARG C . 10317 1 1155 . 1 1 95 95 ARG CA C 13 56.398 0.300 . 1 . . . . 95 ARG CA . 10317 1 1156 . 1 1 95 95 ARG CB C 13 30.581 0.300 . 1 . . . . 95 ARG CB . 10317 1 1157 . 1 1 95 95 ARG CD C 13 43.240 0.300 . 1 . . . . 95 ARG CD . 10317 1 1158 . 1 1 95 95 ARG CG C 13 26.461 0.300 . 1 . . . . 95 ARG CG . 10317 1 1159 . 1 1 95 95 ARG N N 15 120.738 0.300 . 1 . . . . 95 ARG N . 10317 1 1160 . 1 1 96 96 THR H H 1 7.970 0.030 . 1 . . . . 96 THR H . 10317 1 1161 . 1 1 96 96 THR HA H 1 4.832 0.030 . 1 . . . . 96 THR HA . 10317 1 1162 . 1 1 96 96 THR HB H 1 3.645 0.030 . 1 . . . . 96 THR HB . 10317 1 1163 . 1 1 96 96 THR HG21 H 1 0.533 0.030 . 1 . . . . 96 THR HG2 . 10317 1 1164 . 1 1 96 96 THR HG22 H 1 0.533 0.030 . 1 . . . . 96 THR HG2 . 10317 1 1165 . 1 1 96 96 THR HG23 H 1 0.533 0.030 . 1 . . . . 96 THR HG2 . 10317 1 1166 . 1 1 96 96 THR C C 13 173.141 0.300 . 1 . . . . 96 THR C . 10317 1 1167 . 1 1 96 96 THR CA C 13 62.281 0.300 . 1 . . . . 96 THR CA . 10317 1 1168 . 1 1 96 96 THR CB C 13 70.514 0.300 . 1 . . . . 96 THR CB . 10317 1 1169 . 1 1 96 96 THR CG2 C 13 22.485 0.300 . 1 . . . . 96 THR CG2 . 10317 1 1170 . 1 1 96 96 THR N N 15 117.923 0.300 . 1 . . . . 96 THR N . 10317 1 1171 . 1 1 97 97 TYR H H 1 8.847 0.030 . 1 . . . . 97 TYR H . 10317 1 1172 . 1 1 97 97 TYR HA H 1 4.361 0.030 . 1 . . . . 97 TYR HA . 10317 1 1173 . 1 1 97 97 TYR HB2 H 1 2.407 0.030 . 2 . . . . 97 TYR HB2 . 10317 1 1174 . 1 1 97 97 TYR HB3 H 1 2.060 0.030 . 2 . . . . 97 TYR HB3 . 10317 1 1175 . 1 1 97 97 TYR HD1 H 1 6.924 0.030 . 1 . . . . 97 TYR HD1 . 10317 1 1176 . 1 1 97 97 TYR HD2 H 1 6.924 0.030 . 1 . . . . 97 TYR HD2 . 10317 1 1177 . 1 1 97 97 TYR HE1 H 1 6.835 0.030 . 1 . . . . 97 TYR HE1 . 10317 1 1178 . 1 1 97 97 TYR HE2 H 1 6.835 0.030 . 1 . . . . 97 TYR HE2 . 10317 1 1179 . 1 1 97 97 TYR C C 13 173.038 0.300 . 1 . . . . 97 TYR C . 10317 1 1180 . 1 1 97 97 TYR CA C 13 56.538 0.300 . 1 . . . . 97 TYR CA . 10317 1 1181 . 1 1 97 97 TYR CB C 13 42.212 0.300 . 1 . . . . 97 TYR CB . 10317 1 1182 . 1 1 97 97 TYR CD1 C 13 132.966 0.300 . 1 . . . . 97 TYR CD1 . 10317 1 1183 . 1 1 97 97 TYR CD2 C 13 132.966 0.300 . 1 . . . . 97 TYR CD2 . 10317 1 1184 . 1 1 97 97 TYR CE1 C 13 118.270 0.300 . 1 . . . . 97 TYR CE1 . 10317 1 1185 . 1 1 97 97 TYR CE2 C 13 118.270 0.300 . 1 . . . . 97 TYR CE2 . 10317 1 1186 . 1 1 97 97 TYR N N 15 125.790 0.300 . 1 . . . . 97 TYR N . 10317 1 1187 . 1 1 98 98 TYR H H 1 8.613 0.030 . 1 . . . . 98 TYR H . 10317 1 1188 . 1 1 98 98 TYR HA H 1 4.775 0.030 . 1 . . . . 98 TYR HA . 10317 1 1189 . 1 1 98 98 TYR HB2 H 1 2.692 0.030 . 2 . . . . 98 TYR HB2 . 10317 1 1190 . 1 1 98 98 TYR HB3 H 1 2.260 0.030 . 2 . . . . 98 TYR HB3 . 10317 1 1191 . 1 1 98 98 TYR HD1 H 1 6.833 0.030 . 1 . . . . 98 TYR HD1 . 10317 1 1192 . 1 1 98 98 TYR HD2 H 1 6.833 0.030 . 1 . . . . 98 TYR HD2 . 10317 1 1193 . 1 1 98 98 TYR HE1 H 1 6.542 0.030 . 1 . . . . 98 TYR HE1 . 10317 1 1194 . 1 1 98 98 TYR HE2 H 1 6.542 0.030 . 1 . . . . 98 TYR HE2 . 10317 1 1195 . 1 1 98 98 TYR C C 13 173.698 0.300 . 1 . . . . 98 TYR C . 10317 1 1196 . 1 1 98 98 TYR CA C 13 57.241 0.300 . 1 . . . . 98 TYR CA . 10317 1 1197 . 1 1 98 98 TYR CB C 13 41.105 0.300 . 1 . . . . 98 TYR CB . 10317 1 1198 . 1 1 98 98 TYR CD1 C 13 133.354 0.300 . 1 . . . . 98 TYR CD1 . 10317 1 1199 . 1 1 98 98 TYR CD2 C 13 133.354 0.300 . 1 . . . . 98 TYR CD2 . 10317 1 1200 . 1 1 98 98 TYR CE1 C 13 117.106 0.300 . 1 . . . . 98 TYR CE1 . 10317 1 1201 . 1 1 98 98 TYR CE2 C 13 117.106 0.300 . 1 . . . . 98 TYR CE2 . 10317 1 1202 . 1 1 98 98 TYR N N 15 119.648 0.300 . 1 . . . . 98 TYR N . 10317 1 1203 . 1 1 99 99 PHE H H 1 8.634 0.030 . 1 . . . . 99 PHE H . 10317 1 1204 . 1 1 99 99 PHE HA H 1 5.973 0.030 . 1 . . . . 99 PHE HA . 10317 1 1205 . 1 1 99 99 PHE HB2 H 1 2.425 0.030 . 2 . . . . 99 PHE HB2 . 10317 1 1206 . 1 1 99 99 PHE HB3 H 1 0.835 0.030 . 2 . . . . 99 PHE HB3 . 10317 1 1207 . 1 1 99 99 PHE HD1 H 1 6.496 0.030 . 1 . . . . 99 PHE HD1 . 10317 1 1208 . 1 1 99 99 PHE HD2 H 1 6.496 0.030 . 1 . . . . 99 PHE HD2 . 10317 1 1209 . 1 1 99 99 PHE HE1 H 1 6.583 0.030 . 1 . . . . 99 PHE HE1 . 10317 1 1210 . 1 1 99 99 PHE HE2 H 1 6.583 0.030 . 1 . . . . 99 PHE HE2 . 10317 1 1211 . 1 1 99 99 PHE HZ H 1 6.294 0.030 . 1 . . . . 99 PHE HZ . 10317 1 1212 . 1 1 99 99 PHE C C 13 175.378 0.300 . 1 . . . . 99 PHE C . 10317 1 1213 . 1 1 99 99 PHE CA C 13 55.117 0.300 . 1 . . . . 99 PHE CA . 10317 1 1214 . 1 1 99 99 PHE CB C 13 43.757 0.300 . 1 . . . . 99 PHE CB . 10317 1 1215 . 1 1 99 99 PHE CD1 C 13 132.067 0.300 . 1 . . . . 99 PHE CD1 . 10317 1 1216 . 1 1 99 99 PHE CD2 C 13 132.067 0.300 . 1 . . . . 99 PHE CD2 . 10317 1 1217 . 1 1 99 99 PHE CE1 C 13 129.281 0.300 . 1 . . . . 99 PHE CE1 . 10317 1 1218 . 1 1 99 99 PHE CE2 C 13 129.281 0.300 . 1 . . . . 99 PHE CE2 . 10317 1 1219 . 1 1 99 99 PHE CZ C 13 127.306 0.300 . 1 . . . . 99 PHE CZ . 10317 1 1220 . 1 1 99 99 PHE N N 15 119.250 0.300 . 1 . . . . 99 PHE N . 10317 1 1221 . 1 1 100 100 CYS H H 1 8.612 0.030 . 1 . . . . 100 CYS H . 10317 1 1222 . 1 1 100 100 CYS HA H 1 5.545 0.030 . 1 . . . . 100 CYS HA . 10317 1 1223 . 1 1 100 100 CYS HB2 H 1 2.795 0.030 . 2 . . . . 100 CYS HB2 . 10317 1 1224 . 1 1 100 100 CYS HB3 H 1 2.294 0.030 . 2 . . . . 100 CYS HB3 . 10317 1 1225 . 1 1 100 100 CYS C C 13 172.160 0.300 . 1 . . . . 100 CYS C . 10317 1 1226 . 1 1 100 100 CYS CA C 13 57.960 0.300 . 1 . . . . 100 CYS CA . 10317 1 1227 . 1 1 100 100 CYS CB C 13 30.417 0.300 . 1 . . . . 100 CYS CB . 10317 1 1228 . 1 1 100 100 CYS N N 15 112.031 0.300 . 1 . . . . 100 CYS N . 10317 1 1229 . 1 1 101 101 THR H H 1 7.745 0.030 . 1 . . . . 101 THR H . 10317 1 1230 . 1 1 101 101 THR HA H 1 5.262 0.030 . 1 . . . . 101 THR HA . 10317 1 1231 . 1 1 101 101 THR HB H 1 4.802 0.030 . 1 . . . . 101 THR HB . 10317 1 1232 . 1 1 101 101 THR HG21 H 1 1.258 0.030 . 1 . . . . 101 THR HG2 . 10317 1 1233 . 1 1 101 101 THR HG22 H 1 1.258 0.030 . 1 . . . . 101 THR HG2 . 10317 1 1234 . 1 1 101 101 THR HG23 H 1 1.258 0.030 . 1 . . . . 101 THR HG2 . 10317 1 1235 . 1 1 101 101 THR C C 13 174.449 0.300 . 1 . . . . 101 THR C . 10317 1 1236 . 1 1 101 101 THR CA C 13 59.945 0.300 . 1 . . . . 101 THR CA . 10317 1 1237 . 1 1 101 101 THR CB C 13 70.692 0.300 . 1 . . . . 101 THR CB . 10317 1 1238 . 1 1 101 101 THR CG2 C 13 23.225 0.300 . 1 . . . . 101 THR CG2 . 10317 1 1239 . 1 1 101 101 THR N N 15 108.077 0.300 . 1 . . . . 101 THR N . 10317 1 1240 . 1 1 102 102 ASP H H 1 8.989 0.030 . 1 . . . . 102 ASP H . 10317 1 1241 . 1 1 102 102 ASP HA H 1 4.925 0.030 . 1 . . . . 102 ASP HA . 10317 1 1242 . 1 1 102 102 ASP HB2 H 1 2.855 0.030 . 2 . . . . 102 ASP HB2 . 10317 1 1243 . 1 1 102 102 ASP HB3 H 1 2.985 0.030 . 2 . . . . 102 ASP HB3 . 10317 1 1244 . 1 1 102 102 ASP C C 13 177.227 0.300 . 1 . . . . 102 ASP C . 10317 1 1245 . 1 1 102 102 ASP CA C 13 56.837 0.300 . 1 . . . . 102 ASP CA . 10317 1 1246 . 1 1 102 102 ASP CB C 13 42.467 0.300 . 1 . . . . 102 ASP CB . 10317 1 1247 . 1 1 102 102 ASP N N 15 115.794 0.300 . 1 . . . . 102 ASP N . 10317 1 1248 . 1 1 103 103 THR H H 1 7.270 0.030 . 1 . . . . 103 THR H . 10317 1 1249 . 1 1 103 103 THR HA H 1 4.462 0.030 . 1 . . . . 103 THR HA . 10317 1 1250 . 1 1 103 103 THR HB H 1 4.374 0.030 . 1 . . . . 103 THR HB . 10317 1 1251 . 1 1 103 103 THR HG21 H 1 1.192 0.030 . 1 . . . . 103 THR HG2 . 10317 1 1252 . 1 1 103 103 THR HG22 H 1 1.192 0.030 . 1 . . . . 103 THR HG2 . 10317 1 1253 . 1 1 103 103 THR HG23 H 1 1.192 0.030 . 1 . . . . 103 THR HG2 . 10317 1 1254 . 1 1 103 103 THR C C 13 175.275 0.300 . 1 . . . . 103 THR C . 10317 1 1255 . 1 1 103 103 THR CA C 13 58.786 0.300 . 1 . . . . 103 THR CA . 10317 1 1256 . 1 1 103 103 THR CB C 13 73.116 0.300 . 1 . . . . 103 THR CB . 10317 1 1257 . 1 1 103 103 THR CG2 C 13 21.499 0.300 . 1 . . . . 103 THR CG2 . 10317 1 1258 . 1 1 103 103 THR N N 15 104.508 0.300 . 1 . . . . 103 THR N . 10317 1 1259 . 1 1 104 104 GLY H H 1 8.386 0.030 . 1 . . . . 104 GLY H . 10317 1 1260 . 1 1 104 104 GLY HA2 H 1 3.623 0.030 . 2 . . . . 104 GLY HA2 . 10317 1 1261 . 1 1 104 104 GLY HA3 H 1 3.205 0.030 . 2 . . . . 104 GLY HA3 . 10317 1 1262 . 1 1 104 104 GLY C C 13 176.106 0.300 . 1 . . . . 104 GLY C . 10317 1 1263 . 1 1 104 104 GLY CA C 13 47.284 0.300 . 1 . . . . 104 GLY CA . 10317 1 1264 . 1 1 104 104 GLY N N 15 111.895 0.300 . 1 . . . . 104 GLY N . 10317 1 1265 . 1 1 105 105 LYS H H 1 8.225 0.030 . 1 . . . . 105 LYS H . 10317 1 1266 . 1 1 105 105 LYS HA H 1 4.074 0.030 . 1 . . . . 105 LYS HA . 10317 1 1267 . 1 1 105 105 LYS HB2 H 1 1.727 0.030 . 2 . . . . 105 LYS HB2 . 10317 1 1268 . 1 1 105 105 LYS HB3 H 1 1.832 0.030 . 2 . . . . 105 LYS HB3 . 10317 1 1269 . 1 1 105 105 LYS HD2 H 1 1.685 0.030 . 1 . . . . 105 LYS HD2 . 10317 1 1270 . 1 1 105 105 LYS HD3 H 1 1.685 0.030 . 1 . . . . 105 LYS HD3 . 10317 1 1271 . 1 1 105 105 LYS HE2 H 1 2.935 0.030 . 2 . . . . 105 LYS HE2 . 10317 1 1272 . 1 1 105 105 LYS HE3 H 1 2.895 0.030 . 2 . . . . 105 LYS HE3 . 10317 1 1273 . 1 1 105 105 LYS HG2 H 1 1.415 0.030 . 1 . . . . 105 LYS HG2 . 10317 1 1274 . 1 1 105 105 LYS HG3 H 1 1.415 0.030 . 1 . . . . 105 LYS HG3 . 10317 1 1275 . 1 1 105 105 LYS C C 13 178.716 0.300 . 1 . . . . 105 LYS C . 10317 1 1276 . 1 1 105 105 LYS CA C 13 58.523 0.300 . 1 . . . . 105 LYS CA . 10317 1 1277 . 1 1 105 105 LYS CB C 13 31.526 0.300 . 1 . . . . 105 LYS CB . 10317 1 1278 . 1 1 105 105 LYS CD C 13 28.403 0.300 . 1 . . . . 105 LYS CD . 10317 1 1279 . 1 1 105 105 LYS CE C 13 41.965 0.300 . 1 . . . . 105 LYS CE . 10317 1 1280 . 1 1 105 105 LYS CG C 13 24.376 0.300 . 1 . . . . 105 LYS CG . 10317 1 1281 . 1 1 105 105 LYS N N 15 122.594 0.300 . 1 . . . . 105 LYS N . 10317 1 1282 . 1 1 106 106 GLU H H 1 7.266 0.030 . 1 . . . . 106 GLU H . 10317 1 1283 . 1 1 106 106 GLU HA H 1 3.873 0.030 . 1 . . . . 106 GLU HA . 10317 1 1284 . 1 1 106 106 GLU HB2 H 1 2.374 0.030 . 2 . . . . 106 GLU HB2 . 10317 1 1285 . 1 1 106 106 GLU HB3 H 1 2.196 0.030 . 2 . . . . 106 GLU HB3 . 10317 1 1286 . 1 1 106 106 GLU HG2 H 1 2.441 0.030 . 2 . . . . 106 GLU HG2 . 10317 1 1287 . 1 1 106 106 GLU HG3 H 1 2.294 0.030 . 2 . . . . 106 GLU HG3 . 10317 1 1288 . 1 1 106 106 GLU C C 13 178.150 0.300 . 1 . . . . 106 GLU C . 10317 1 1289 . 1 1 106 106 GLU CA C 13 59.418 0.300 . 1 . . . . 106 GLU CA . 10317 1 1290 . 1 1 106 106 GLU CB C 13 31.034 0.300 . 1 . . . . 106 GLU CB . 10317 1 1291 . 1 1 106 106 GLU CG C 13 37.938 0.300 . 1 . . . . 106 GLU CG . 10317 1 1292 . 1 1 106 106 GLU N N 15 115.610 0.300 . 1 . . . . 106 GLU N . 10317 1 1293 . 1 1 107 107 MET H H 1 7.265 0.030 . 1 . . . . 107 MET H . 10317 1 1294 . 1 1 107 107 MET HA H 1 3.775 0.030 . 1 . . . . 107 MET HA . 10317 1 1295 . 1 1 107 107 MET HB2 H 1 2.376 0.030 . 2 . . . . 107 MET HB2 . 10317 1 1296 . 1 1 107 107 MET HB3 H 1 2.192 0.030 . 2 . . . . 107 MET HB3 . 10317 1 1297 . 1 1 107 107 MET HE1 H 1 2.185 0.030 . 1 . . . . 107 MET HE . 10317 1 1298 . 1 1 107 107 MET HE2 H 1 2.185 0.030 . 1 . . . . 107 MET HE . 10317 1 1299 . 1 1 107 107 MET HE3 H 1 2.185 0.030 . 1 . . . . 107 MET HE . 10317 1 1300 . 1 1 107 107 MET HG2 H 1 2.520 0.030 . 2 . . . . 107 MET HG2 . 10317 1 1301 . 1 1 107 107 MET HG3 H 1 2.045 0.030 . 2 . . . . 107 MET HG3 . 10317 1 1302 . 1 1 107 107 MET C C 13 177.222 0.300 . 1 . . . . 107 MET C . 10317 1 1303 . 1 1 107 107 MET CA C 13 60.139 0.300 . 1 . . . . 107 MET CA . 10317 1 1304 . 1 1 107 107 MET CB C 13 31.444 0.300 . 1 . . . . 107 MET CB . 10317 1 1305 . 1 1 107 107 MET CE C 13 18.428 0.300 . 1 . . . . 107 MET CE . 10317 1 1306 . 1 1 107 107 MET CG C 13 32.127 0.300 . 1 . . . . 107 MET CG . 10317 1 1307 . 1 1 107 107 MET N N 15 121.166 0.300 . 1 . . . . 107 MET N . 10317 1 1308 . 1 1 108 108 GLU H H 1 7.934 0.030 . 1 . . . . 108 GLU H . 10317 1 1309 . 1 1 108 108 GLU HA H 1 3.804 0.030 . 1 . . . . 108 GLU HA . 10317 1 1310 . 1 1 108 108 GLU HB2 H 1 2.105 0.030 . 2 . . . . 108 GLU HB2 . 10317 1 1311 . 1 1 108 108 GLU HB3 H 1 2.053 0.030 . 2 . . . . 108 GLU HB3 . 10317 1 1312 . 1 1 108 108 GLU HG2 H 1 2.382 0.030 . 2 . . . . 108 GLU HG2 . 10317 1 1313 . 1 1 108 108 GLU HG3 H 1 2.105 0.030 . 2 . . . . 108 GLU HG3 . 10317 1 1314 . 1 1 108 108 GLU C C 13 179.621 0.300 . 1 . . . . 108 GLU C . 10317 1 1315 . 1 1 108 108 GLU CA C 13 59.400 0.300 . 1 . . . . 108 GLU CA . 10317 1 1316 . 1 1 108 108 GLU CB C 13 29.677 0.300 . 1 . . . . 108 GLU CB . 10317 1 1317 . 1 1 108 108 GLU CG C 13 36.047 0.300 . 1 . . . . 108 GLU CG . 10317 1 1318 . 1 1 108 108 GLU N N 15 118.583 0.300 . 1 . . . . 108 GLU N . 10317 1 1319 . 1 1 109 109 LEU H H 1 7.936 0.030 . 1 . . . . 109 LEU H . 10317 1 1320 . 1 1 109 109 LEU HA H 1 3.906 0.030 . 1 . . . . 109 LEU HA . 10317 1 1321 . 1 1 109 109 LEU HB2 H 1 0.935 0.030 . 2 . . . . 109 LEU HB2 . 10317 1 1322 . 1 1 109 109 LEU HB3 H 1 1.615 0.030 . 2 . . . . 109 LEU HB3 . 10317 1 1323 . 1 1 109 109 LEU HD11 H 1 0.733 0.030 . 1 . . . . 109 LEU HD1 . 10317 1 1324 . 1 1 109 109 LEU HD12 H 1 0.733 0.030 . 1 . . . . 109 LEU HD1 . 10317 1 1325 . 1 1 109 109 LEU HD13 H 1 0.733 0.030 . 1 . . . . 109 LEU HD1 . 10317 1 1326 . 1 1 109 109 LEU HD21 H 1 0.736 0.030 . 1 . . . . 109 LEU HD2 . 10317 1 1327 . 1 1 109 109 LEU HD22 H 1 0.736 0.030 . 1 . . . . 109 LEU HD2 . 10317 1 1328 . 1 1 109 109 LEU HD23 H 1 0.736 0.030 . 1 . . . . 109 LEU HD2 . 10317 1 1329 . 1 1 109 109 LEU HG H 1 1.795 0.030 . 1 . . . . 109 LEU HG . 10317 1 1330 . 1 1 109 109 LEU C C 13 181.141 0.300 . 1 . . . . 109 LEU C . 10317 1 1331 . 1 1 109 109 LEU CA C 13 57.733 0.300 . 1 . . . . 109 LEU CA . 10317 1 1332 . 1 1 109 109 LEU CB C 13 41.311 0.300 . 1 . . . . 109 LEU CB . 10317 1 1333 . 1 1 109 109 LEU CD1 C 13 25.691 0.300 . 2 . . . . 109 LEU CD1 . 10317 1 1334 . 1 1 109 109 LEU CD2 C 13 22.156 0.300 . 2 . . . . 109 LEU CD2 . 10317 1 1335 . 1 1 109 109 LEU CG C 13 26.356 0.300 . 1 . . . . 109 LEU CG . 10317 1 1336 . 1 1 109 109 LEU N N 15 118.039 0.300 . 1 . . . . 109 LEU N . 10317 1 1337 . 1 1 110 110 TRP H H 1 8.473 0.030 . 1 . . . . 110 TRP H . 10317 1 1338 . 1 1 110 110 TRP HA H 1 4.226 0.030 . 1 . . . . 110 TRP HA . 10317 1 1339 . 1 1 110 110 TRP HB2 H 1 2.915 0.030 . 2 . . . . 110 TRP HB2 . 10317 1 1340 . 1 1 110 110 TRP HB3 H 1 3.216 0.030 . 2 . . . . 110 TRP HB3 . 10317 1 1341 . 1 1 110 110 TRP HD1 H 1 7.208 0.030 . 1 . . . . 110 TRP HD1 . 10317 1 1342 . 1 1 110 110 TRP HE1 H 1 9.926 0.030 . 1 . . . . 110 TRP HE1 . 10317 1 1343 . 1 1 110 110 TRP HE3 H 1 7.288 0.030 . 1 . . . . 110 TRP HE3 . 10317 1 1344 . 1 1 110 110 TRP HH2 H 1 6.645 0.030 . 1 . . . . 110 TRP HH2 . 10317 1 1345 . 1 1 110 110 TRP HZ2 H 1 6.875 0.030 . 1 . . . . 110 TRP HZ2 . 10317 1 1346 . 1 1 110 110 TRP HZ3 H 1 6.575 0.030 . 1 . . . . 110 TRP HZ3 . 10317 1 1347 . 1 1 110 110 TRP C C 13 178.389 0.300 . 1 . . . . 110 TRP C . 10317 1 1348 . 1 1 110 110 TRP CA C 13 61.156 0.300 . 1 . . . . 110 TRP CA . 10317 1 1349 . 1 1 110 110 TRP CB C 13 29.307 0.300 . 1 . . . . 110 TRP CB . 10317 1 1350 . 1 1 110 110 TRP CD1 C 13 127.005 0.300 . 1 . . . . 110 TRP CD1 . 10317 1 1351 . 1 1 110 110 TRP CE3 C 13 119.481 0.300 . 1 . . . . 110 TRP CE3 . 10317 1 1352 . 1 1 110 110 TRP CH2 C 13 125.211 0.300 . 1 . . . . 110 TRP CH2 . 10317 1 1353 . 1 1 110 110 TRP CZ2 C 13 115.414 0.300 . 1 . . . . 110 TRP CZ2 . 10317 1 1354 . 1 1 110 110 TRP CZ3 C 13 121.315 0.300 . 1 . . . . 110 TRP CZ3 . 10317 1 1355 . 1 1 110 110 TRP N N 15 119.244 0.300 . 1 . . . . 110 TRP N . 10317 1 1356 . 1 1 110 110 TRP NE1 N 15 127.793 0.300 . 1 . . . . 110 TRP NE1 . 10317 1 1357 . 1 1 111 111 MET H H 1 8.599 0.030 . 1 . . . . 111 MET H . 10317 1 1358 . 1 1 111 111 MET HA H 1 3.371 0.030 . 1 . . . . 111 MET HA . 10317 1 1359 . 1 1 111 111 MET HB2 H 1 1.733 0.030 . 1 . . . . 111 MET HB2 . 10317 1 1360 . 1 1 111 111 MET HB3 H 1 1.733 0.030 . 1 . . . . 111 MET HB3 . 10317 1 1361 . 1 1 111 111 MET HE1 H 1 1.825 0.030 . 1 . . . . 111 MET HE . 10317 1 1362 . 1 1 111 111 MET HE2 H 1 1.825 0.030 . 1 . . . . 111 MET HE . 10317 1 1363 . 1 1 111 111 MET HE3 H 1 1.825 0.030 . 1 . . . . 111 MET HE . 10317 1 1364 . 1 1 111 111 MET HG2 H 1 1.052 0.030 . 2 . . . . 111 MET HG2 . 10317 1 1365 . 1 1 111 111 MET HG3 H 1 1.483 0.030 . 2 . . . . 111 MET HG3 . 10317 1 1366 . 1 1 111 111 MET C C 13 177.612 0.300 . 1 . . . . 111 MET C . 10317 1 1367 . 1 1 111 111 MET CA C 13 60.997 0.300 . 1 . . . . 111 MET CA . 10317 1 1368 . 1 1 111 111 MET CB C 13 32.130 0.300 . 1 . . . . 111 MET CB . 10317 1 1369 . 1 1 111 111 MET CE C 13 16.182 0.300 . 1 . . . . 111 MET CE . 10317 1 1370 . 1 1 111 111 MET CG C 13 32.145 0.300 . 1 . . . . 111 MET CG . 10317 1 1371 . 1 1 111 111 MET N N 15 117.829 0.300 . 1 . . . . 111 MET N . 10317 1 1372 . 1 1 112 112 LYS H H 1 7.722 0.030 . 1 . . . . 112 LYS H . 10317 1 1373 . 1 1 112 112 LYS HA H 1 3.929 0.030 . 1 . . . . 112 LYS HA . 10317 1 1374 . 1 1 112 112 LYS HB2 H 1 1.842 0.030 . 2 . . . . 112 LYS HB2 . 10317 1 1375 . 1 1 112 112 LYS HB3 H 1 1.775 0.030 . 2 . . . . 112 LYS HB3 . 10317 1 1376 . 1 1 112 112 LYS HD2 H 1 1.549 0.030 . 2 . . . . 112 LYS HD2 . 10317 1 1377 . 1 1 112 112 LYS HD3 H 1 1.704 0.030 . 2 . . . . 112 LYS HD3 . 10317 1 1378 . 1 1 112 112 LYS HE2 H 1 2.939 0.030 . 1 . . . . 112 LYS HE2 . 10317 1 1379 . 1 1 112 112 LYS HE3 H 1 2.939 0.030 . 1 . . . . 112 LYS HE3 . 10317 1 1380 . 1 1 112 112 LYS HG2 H 1 1.436 0.030 . 2 . . . . 112 LYS HG2 . 10317 1 1381 . 1 1 112 112 LYS HG3 H 1 1.375 0.030 . 2 . . . . 112 LYS HG3 . 10317 1 1382 . 1 1 112 112 LYS C C 13 177.620 0.300 . 1 . . . . 112 LYS C . 10317 1 1383 . 1 1 112 112 LYS CA C 13 59.225 0.300 . 1 . . . . 112 LYS CA . 10317 1 1384 . 1 1 112 112 LYS CB C 13 32.348 0.300 . 1 . . . . 112 LYS CB . 10317 1 1385 . 1 1 112 112 LYS CD C 13 28.650 0.300 . 1 . . . . 112 LYS CD . 10317 1 1386 . 1 1 112 112 LYS CE C 13 42.217 0.300 . 1 . . . . 112 LYS CE . 10317 1 1387 . 1 1 112 112 LYS CG C 13 25.067 0.300 . 1 . . . . 112 LYS CG . 10317 1 1388 . 1 1 112 112 LYS N N 15 117.480 0.300 . 1 . . . . 112 LYS N . 10317 1 1389 . 1 1 113 113 ALA H H 1 7.286 0.030 . 1 . . . . 113 ALA H . 10317 1 1390 . 1 1 113 113 ALA HA H 1 4.075 0.030 . 1 . . . . 113 ALA HA . 10317 1 1391 . 1 1 113 113 ALA HB1 H 1 1.222 0.030 . 1 . . . . 113 ALA HB . 10317 1 1392 . 1 1 113 113 ALA HB2 H 1 1.222 0.030 . 1 . . . . 113 ALA HB . 10317 1 1393 . 1 1 113 113 ALA HB3 H 1 1.222 0.030 . 1 . . . . 113 ALA HB . 10317 1 1394 . 1 1 113 113 ALA C C 13 180.465 0.300 . 1 . . . . 113 ALA C . 10317 1 1395 . 1 1 113 113 ALA CA C 13 54.624 0.300 . 1 . . . . 113 ALA CA . 10317 1 1396 . 1 1 113 113 ALA CB C 13 17.816 0.300 . 1 . . . . 113 ALA CB . 10317 1 1397 . 1 1 113 113 ALA N N 15 119.183 0.300 . 1 . . . . 113 ALA N . 10317 1 1398 . 1 1 114 114 MET H H 1 8.428 0.030 . 1 . . . . 114 MET H . 10317 1 1399 . 1 1 114 114 MET HA H 1 3.835 0.030 . 1 . . . . 114 MET HA . 10317 1 1400 . 1 1 114 114 MET HB2 H 1 1.745 0.030 . 2 . . . . 114 MET HB2 . 10317 1 1401 . 1 1 114 114 MET HB3 H 1 2.123 0.030 . 2 . . . . 114 MET HB3 . 10317 1 1402 . 1 1 114 114 MET HE1 H 1 0.945 0.030 . 1 . . . . 114 MET HE . 10317 1 1403 . 1 1 114 114 MET HE2 H 1 0.945 0.030 . 1 . . . . 114 MET HE . 10317 1 1404 . 1 1 114 114 MET HE3 H 1 0.945 0.030 . 1 . . . . 114 MET HE . 10317 1 1405 . 1 1 114 114 MET HG2 H 1 2.969 0.030 . 2 . . . . 114 MET HG2 . 10317 1 1406 . 1 1 114 114 MET HG3 H 1 2.265 0.030 . 2 . . . . 114 MET HG3 . 10317 1 1407 . 1 1 114 114 MET C C 13 177.311 0.300 . 1 . . . . 114 MET C . 10317 1 1408 . 1 1 114 114 MET CA C 13 60.454 0.300 . 1 . . . . 114 MET CA . 10317 1 1409 . 1 1 114 114 MET CB C 13 33.075 0.300 . 1 . . . . 114 MET CB . 10317 1 1410 . 1 1 114 114 MET CE C 13 18.647 0.300 . 1 . . . . 114 MET CE . 10317 1 1411 . 1 1 114 114 MET CG C 13 34.040 0.300 . 1 . . . . 114 MET CG . 10317 1 1412 . 1 1 114 114 MET N N 15 115.394 0.300 . 1 . . . . 114 MET N . 10317 1 1413 . 1 1 115 115 LEU H H 1 8.658 0.030 . 1 . . . . 115 LEU H . 10317 1 1414 . 1 1 115 115 LEU HA H 1 3.945 0.030 . 1 . . . . 115 LEU HA . 10317 1 1415 . 1 1 115 115 LEU HB2 H 1 1.785 0.030 . 2 . . . . 115 LEU HB2 . 10317 1 1416 . 1 1 115 115 LEU HB3 H 1 1.675 0.030 . 2 . . . . 115 LEU HB3 . 10317 1 1417 . 1 1 115 115 LEU HD11 H 1 0.919 0.030 . 1 . . . . 115 LEU HD1 . 10317 1 1418 . 1 1 115 115 LEU HD12 H 1 0.919 0.030 . 1 . . . . 115 LEU HD1 . 10317 1 1419 . 1 1 115 115 LEU HD13 H 1 0.919 0.030 . 1 . . . . 115 LEU HD1 . 10317 1 1420 . 1 1 115 115 LEU HD21 H 1 1.003 0.030 . 1 . . . . 115 LEU HD2 . 10317 1 1421 . 1 1 115 115 LEU HD22 H 1 1.003 0.030 . 1 . . . . 115 LEU HD2 . 10317 1 1422 . 1 1 115 115 LEU HD23 H 1 1.003 0.030 . 1 . . . . 115 LEU HD2 . 10317 1 1423 . 1 1 115 115 LEU HG H 1 1.603 0.030 . 1 . . . . 115 LEU HG . 10317 1 1424 . 1 1 115 115 LEU C C 13 178.773 0.300 . 1 . . . . 115 LEU C . 10317 1 1425 . 1 1 115 115 LEU CA C 13 58.593 0.300 . 1 . . . . 115 LEU CA . 10317 1 1426 . 1 1 115 115 LEU CB C 13 42.212 0.300 . 1 . . . . 115 LEU CB . 10317 1 1427 . 1 1 115 115 LEU CD1 C 13 25.033 0.300 . 2 . . . . 115 LEU CD1 . 10317 1 1428 . 1 1 115 115 LEU CD2 C 13 25.033 0.300 . 2 . . . . 115 LEU CD2 . 10317 1 1429 . 1 1 115 115 LEU CG C 13 27.337 0.300 . 1 . . . . 115 LEU CG . 10317 1 1430 . 1 1 115 115 LEU N N 15 121.171 0.300 . 1 . . . . 115 LEU N . 10317 1 1431 . 1 1 116 116 ASP H H 1 7.901 0.030 . 1 . . . . 116 ASP H . 10317 1 1432 . 1 1 116 116 ASP HA H 1 4.332 0.030 . 1 . . . . 116 ASP HA . 10317 1 1433 . 1 1 116 116 ASP HB2 H 1 2.774 0.030 . 2 . . . . 116 ASP HB2 . 10317 1 1434 . 1 1 116 116 ASP HB3 H 1 2.545 0.030 . 2 . . . . 116 ASP HB3 . 10317 1 1435 . 1 1 116 116 ASP C C 13 178.756 0.300 . 1 . . . . 116 ASP C . 10317 1 1436 . 1 1 116 116 ASP CA C 13 57.030 0.300 . 1 . . . . 116 ASP CA . 10317 1 1437 . 1 1 116 116 ASP CB C 13 40.214 0.300 . 1 . . . . 116 ASP CB . 10317 1 1438 . 1 1 116 116 ASP N N 15 117.177 0.300 . 1 . . . . 116 ASP N . 10317 1 1439 . 1 1 117 117 ALA H H 1 7.204 0.030 . 1 . . . . 117 ALA H . 10317 1 1440 . 1 1 117 117 ALA HA H 1 4.271 0.030 . 1 . . . . 117 ALA HA . 10317 1 1441 . 1 1 117 117 ALA HB1 H 1 1.446 0.030 . 1 . . . . 117 ALA HB . 10317 1 1442 . 1 1 117 117 ALA HB2 H 1 1.446 0.030 . 1 . . . . 117 ALA HB . 10317 1 1443 . 1 1 117 117 ALA HB3 H 1 1.446 0.030 . 1 . . . . 117 ALA HB . 10317 1 1444 . 1 1 117 117 ALA C C 13 177.569 0.300 . 1 . . . . 117 ALA C . 10317 1 1445 . 1 1 117 117 ALA CA C 13 53.816 0.300 . 1 . . . . 117 ALA CA . 10317 1 1446 . 1 1 117 117 ALA CB C 13 20.102 0.300 . 1 . . . . 117 ALA CB . 10317 1 1447 . 1 1 117 117 ALA N N 15 120.367 0.300 . 1 . . . . 117 ALA N . 10317 1 1448 . 1 1 118 118 ALA H H 1 8.284 0.030 . 1 . . . . 118 ALA H . 10317 1 1449 . 1 1 118 118 ALA HA H 1 4.225 0.030 . 1 . . . . 118 ALA HA . 10317 1 1450 . 1 1 118 118 ALA HB1 H 1 1.636 0.030 . 1 . . . . 118 ALA HB . 10317 1 1451 . 1 1 118 118 ALA HB2 H 1 1.636 0.030 . 1 . . . . 118 ALA HB . 10317 1 1452 . 1 1 118 118 ALA HB3 H 1 1.636 0.030 . 1 . . . . 118 ALA HB . 10317 1 1453 . 1 1 118 118 ALA C C 13 179.745 0.300 . 1 . . . . 118 ALA C . 10317 1 1454 . 1 1 118 118 ALA CA C 13 53.519 0.300 . 1 . . . . 118 ALA CA . 10317 1 1455 . 1 1 118 118 ALA CB C 13 19.608 0.300 . 1 . . . . 118 ALA CB . 10317 1 1456 . 1 1 118 118 ALA N N 15 118.860 0.300 . 1 . . . . 118 ALA N . 10317 1 1457 . 1 1 119 119 LEU H H 1 7.594 0.030 . 1 . . . . 119 LEU H . 10317 1 1458 . 1 1 119 119 LEU HA H 1 4.285 0.030 . 1 . . . . 119 LEU HA . 10317 1 1459 . 1 1 119 119 LEU HB2 H 1 1.785 0.030 . 2 . . . . 119 LEU HB2 . 10317 1 1460 . 1 1 119 119 LEU HB3 H 1 1.682 0.030 . 2 . . . . 119 LEU HB3 . 10317 1 1461 . 1 1 119 119 LEU HD11 H 1 0.943 0.030 . 1 . . . . 119 LEU HD1 . 10317 1 1462 . 1 1 119 119 LEU HD12 H 1 0.943 0.030 . 1 . . . . 119 LEU HD1 . 10317 1 1463 . 1 1 119 119 LEU HD13 H 1 0.943 0.030 . 1 . . . . 119 LEU HD1 . 10317 1 1464 . 1 1 119 119 LEU HD21 H 1 0.923 0.030 . 1 . . . . 119 LEU HD2 . 10317 1 1465 . 1 1 119 119 LEU HD22 H 1 0.923 0.030 . 1 . . . . 119 LEU HD2 . 10317 1 1466 . 1 1 119 119 LEU HD23 H 1 0.923 0.030 . 1 . . . . 119 LEU HD2 . 10317 1 1467 . 1 1 119 119 LEU HG H 1 1.843 0.030 . 1 . . . . 119 LEU HG . 10317 1 1468 . 1 1 119 119 LEU C C 13 177.380 0.300 . 1 . . . . 119 LEU C . 10317 1 1469 . 1 1 119 119 LEU CA C 13 55.661 0.300 . 1 . . . . 119 LEU CA . 10317 1 1470 . 1 1 119 119 LEU CB C 13 42.417 0.300 . 1 . . . . 119 LEU CB . 10317 1 1471 . 1 1 119 119 LEU CD1 C 13 25.067 0.300 . 2 . . . . 119 LEU CD1 . 10317 1 1472 . 1 1 119 119 LEU CD2 C 13 23.718 0.300 . 2 . . . . 119 LEU CD2 . 10317 1 1473 . 1 1 119 119 LEU CG C 13 26.759 0.300 . 1 . . . . 119 LEU CG . 10317 1 1474 . 1 1 119 119 LEU N N 15 118.000 0.300 . 1 . . . . 119 LEU N . 10317 1 1475 . 1 1 120 120 VAL H H 1 7.897 0.030 . 1 . . . . 120 VAL H . 10317 1 1476 . 1 1 120 120 VAL HA H 1 3.991 0.030 . 1 . . . . 120 VAL HA . 10317 1 1477 . 1 1 120 120 VAL HB H 1 2.195 0.030 . 1 . . . . 120 VAL HB . 10317 1 1478 . 1 1 120 120 VAL HG11 H 1 1.075 0.030 . 1 . . . . 120 VAL HG1 . 10317 1 1479 . 1 1 120 120 VAL HG12 H 1 1.075 0.030 . 1 . . . . 120 VAL HG1 . 10317 1 1480 . 1 1 120 120 VAL HG13 H 1 1.075 0.030 . 1 . . . . 120 VAL HG1 . 10317 1 1481 . 1 1 120 120 VAL HG21 H 1 0.985 0.030 . 1 . . . . 120 VAL HG2 . 10317 1 1482 . 1 1 120 120 VAL HG22 H 1 0.985 0.030 . 1 . . . . 120 VAL HG2 . 10317 1 1483 . 1 1 120 120 VAL HG23 H 1 0.985 0.030 . 1 . . . . 120 VAL HG2 . 10317 1 1484 . 1 1 120 120 VAL C C 13 175.900 0.300 . 1 . . . . 120 VAL C . 10317 1 1485 . 1 1 120 120 VAL CA C 13 63.270 0.300 . 1 . . . . 120 VAL CA . 10317 1 1486 . 1 1 120 120 VAL CB C 13 32.102 0.300 . 1 . . . . 120 VAL CB . 10317 1 1487 . 1 1 120 120 VAL CG1 C 13 21.573 0.300 . 2 . . . . 120 VAL CG1 . 10317 1 1488 . 1 1 120 120 VAL CG2 C 13 21.663 0.300 . 2 . . . . 120 VAL CG2 . 10317 1 1489 . 1 1 120 120 VAL N N 15 123.235 0.300 . 1 . . . . 120 VAL N . 10317 1 1490 . 1 1 121 121 GLN H H 1 8.513 0.030 . 1 . . . . 121 GLN H . 10317 1 1491 . 1 1 121 121 GLN HA H 1 4.497 0.030 . 1 . . . . 121 GLN HA . 10317 1 1492 . 1 1 121 121 GLN HB2 H 1 2.145 0.030 . 2 . . . . 121 GLN HB2 . 10317 1 1493 . 1 1 121 121 GLN HB3 H 1 1.986 0.030 . 2 . . . . 121 GLN HB3 . 10317 1 1494 . 1 1 121 121 GLN HE21 H 1 6.892 0.030 . 2 . . . . 121 GLN HE21 . 10317 1 1495 . 1 1 121 121 GLN HE22 H 1 7.578 0.030 . 2 . . . . 121 GLN HE22 . 10317 1 1496 . 1 1 121 121 GLN HG2 H 1 2.403 0.030 . 1 . . . . 121 GLN HG2 . 10317 1 1497 . 1 1 121 121 GLN HG3 H 1 2.403 0.030 . 1 . . . . 121 GLN HG3 . 10317 1 1498 . 1 1 121 121 GLN C C 13 176.178 0.300 . 1 . . . . 121 GLN C . 10317 1 1499 . 1 1 121 121 GLN CA C 13 55.450 0.300 . 1 . . . . 121 GLN CA . 10317 1 1500 . 1 1 121 121 GLN CB C 13 29.759 0.300 . 1 . . . . 121 GLN CB . 10317 1 1501 . 1 1 121 121 GLN CG C 13 33.828 0.300 . 1 . . . . 121 GLN CG . 10317 1 1502 . 1 1 121 121 GLN N N 15 124.569 0.300 . 1 . . . . 121 GLN N . 10317 1 1503 . 1 1 121 121 GLN NE2 N 15 112.766 0.300 . 1 . . . . 121 GLN NE2 . 10317 1 1504 . 1 1 122 122 THR H H 1 8.278 0.030 . 1 . . . . 122 THR H . 10317 1 1505 . 1 1 122 122 THR HA H 1 4.427 0.030 . 1 . . . . 122 THR HA . 10317 1 1506 . 1 1 122 122 THR HB H 1 4.276 0.030 . 1 . . . . 122 THR HB . 10317 1 1507 . 1 1 122 122 THR HG21 H 1 1.211 0.030 . 1 . . . . 122 THR HG2 . 10317 1 1508 . 1 1 122 122 THR HG22 H 1 1.211 0.030 . 1 . . . . 122 THR HG2 . 10317 1 1509 . 1 1 122 122 THR HG23 H 1 1.211 0.030 . 1 . . . . 122 THR HG2 . 10317 1 1510 . 1 1 122 122 THR C C 13 174.475 0.300 . 1 . . . . 122 THR C . 10317 1 1511 . 1 1 122 122 THR CA C 13 61.596 0.300 . 1 . . . . 122 THR CA . 10317 1 1512 . 1 1 122 122 THR CB C 13 69.870 0.300 . 1 . . . . 122 THR CB . 10317 1 1513 . 1 1 122 122 THR CG2 C 13 21.417 0.300 . 1 . . . . 122 THR CG2 . 10317 1 1514 . 1 1 122 122 THR N N 15 115.584 0.300 . 1 . . . . 122 THR N . 10317 1 1515 . 1 1 123 123 SER H H 1 8.395 0.030 . 1 . . . . 123 SER H . 10317 1 1516 . 1 1 123 123 SER HA H 1 4.545 0.030 . 1 . . . . 123 SER HA . 10317 1 1517 . 1 1 123 123 SER HB2 H 1 3.896 0.030 . 1 . . . . 123 SER HB2 . 10317 1 1518 . 1 1 123 123 SER HB3 H 1 3.896 0.030 . 1 . . . . 123 SER HB3 . 10317 1 1519 . 1 1 123 123 SER C C 13 174.468 0.300 . 1 . . . . 123 SER C . 10317 1 1520 . 1 1 123 123 SER CA C 13 58.259 0.300 . 1 . . . . 123 SER CA . 10317 1 1521 . 1 1 123 123 SER CB C 13 64.239 0.300 . 1 . . . . 123 SER CB . 10317 1 1522 . 1 1 123 123 SER N N 15 117.890 0.300 . 1 . . . . 123 SER N . 10317 1 1523 . 1 1 124 124 GLY H H 1 8.295 0.030 . 1 . . . . 124 GLY H . 10317 1 1524 . 1 1 124 124 GLY HA2 H 1 4.165 0.030 . 2 . . . . 124 GLY HA2 . 10317 1 1525 . 1 1 124 124 GLY HA3 H 1 4.108 0.030 . 2 . . . . 124 GLY HA3 . 10317 1 1526 . 1 1 124 124 GLY CA C 13 44.595 0.300 . 1 . . . . 124 GLY CA . 10317 1 1527 . 1 1 124 124 GLY N N 15 110.732 0.300 . 1 . . . . 124 GLY N . 10317 1 1528 . 1 1 125 125 PRO HA H 1 4.486 0.030 . 1 . . . . 125 PRO HA . 10317 1 1529 . 1 1 125 125 PRO HB2 H 1 2.316 0.030 . 2 . . . . 125 PRO HB2 . 10317 1 1530 . 1 1 125 125 PRO HB3 H 1 1.975 0.030 . 2 . . . . 125 PRO HB3 . 10317 1 1531 . 1 1 125 125 PRO HD2 H 1 3.627 0.030 . 1 . . . . 125 PRO HD2 . 10317 1 1532 . 1 1 125 125 PRO HD3 H 1 3.627 0.030 . 1 . . . . 125 PRO HD3 . 10317 1 1533 . 1 1 125 125 PRO HG2 H 1 2.018 0.030 . 1 . . . . 125 PRO HG2 . 10317 1 1534 . 1 1 125 125 PRO HG3 H 1 2.018 0.030 . 1 . . . . 125 PRO HG3 . 10317 1 1535 . 1 1 125 125 PRO C C 13 177.405 0.300 . 1 . . . . 125 PRO C . 10317 1 1536 . 1 1 125 125 PRO CA C 13 63.246 0.300 . 1 . . . . 125 PRO CA . 10317 1 1537 . 1 1 125 125 PRO CB C 13 32.184 0.300 . 1 . . . . 125 PRO CB . 10317 1 1538 . 1 1 125 125 PRO CD C 13 49.785 0.300 . 1 . . . . 125 PRO CD . 10317 1 1539 . 1 1 125 125 PRO CG C 13 27.087 0.300 . 1 . . . . 125 PRO CG . 10317 1 1540 . 1 1 126 126 SER H H 1 8.548 0.030 . 1 . . . . 126 SER H . 10317 1 1541 . 1 1 126 126 SER C C 13 174.710 0.300 . 1 . . . . 126 SER C . 10317 1 1542 . 1 1 126 126 SER CA C 13 58.435 0.300 . 1 . . . . 126 SER CA . 10317 1 1543 . 1 1 126 126 SER CB C 13 63.993 0.300 . 1 . . . . 126 SER CB . 10317 1 1544 . 1 1 126 126 SER N N 15 116.501 0.300 . 1 . . . . 126 SER N . 10317 1 stop_ save_