data_11106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11106 _Entry.Title ; The solution structure of the FN3 domain of human Midline 2 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 N. Tochio . . . 11106 2 S. Koshiba . . . 11106 3 M. Inoue . . . 11106 4 T. Kigawa . . . 11106 5 S. Yokoyama . . . 11106 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 539 11106 '15N chemical shifts' 127 11106 '1H chemical shifts' 822 11106 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 . . 2011-02-18 2010-02-19 original author . 11106 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMK 'BMRB Entry Tracking System' 11106 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11106 _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 'The solution structure of the FN3 domain of human Midline 2 protein' _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 N. Tochio . . . 11106 1 2 S. Koshiba . . . 11106 1 3 M. Inoue . . . 11106 1 4 T. Kigawa . . . 11106 1 5 S. Yokoyama . . . 11106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11106 _Assembly.ID 1 _Assembly.Name 'midline 2 isoform 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11106 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 yes PDB 2dmk . . . . . . 11106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEGLDYLTAPNPPS IREELCTASHDTITVHWISD DEFSISSYELQYTIFTGQAN FISLYNSVDSWMIVPNIKQN HYTVHGLQSGTRYIFIVKAI NQAGSRNSEPTRLKTNSQPF KSGPSSG ; _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 127 _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 2DMK . "The Solution Structure Of The Fn3 Domain Of Human Midline 2 Protein" . . . . . 100.00 127 100.00 100.00 3.01e-87 . . . . 11106 1 2 no EMBL CAB56170 . "midline 2 protein [Mus musculus]" . . . . . 92.13 685 98.29 98.29 2.05e-74 . . . . 11106 1 3 no GB AAF07340 . "RING finger protein [Mus musculus]" . . . . . 92.13 685 98.29 98.29 2.05e-74 . . . . 11106 1 4 no GB AAF07341 . "RING finger protein [Homo sapiens]" . . . . . 92.13 685 98.29 98.29 3.06e-74 . . . . 11106 1 5 no GB AAH17707 . "Midline 2 [Homo sapiens]" . . . . . 92.13 685 98.29 98.29 3.06e-74 . . . . 11106 1 6 no GB AAI40362 . "Midline 2, partial [synthetic construct]" . . . . . 92.13 685 98.29 98.29 2.05e-74 . . . . 11106 1 7 no GB AAI46505 . "Midline 2 [synthetic construct]" . . . . . 92.13 685 98.29 98.29 2.05e-74 . . . . 11106 1 8 no REF NP_035975 . "probable E3 ubiquitin-protein ligase MID2 [Mus musculus]" . . . . . 92.13 685 98.29 98.29 2.05e-74 . . . . 11106 1 9 no REF NP_438112 . "probable E3 ubiquitin-protein ligase MID2 isoform 2 [Homo sapiens]" . . . . . 92.13 705 98.29 98.29 4.04e-74 . . . . 11106 1 10 no REF XP_001091577 . "PREDICTED: midline-2-like [Macaca mulatta]" . . . . . 92.13 572 98.29 98.29 1.96e-75 . . . . 11106 1 11 no REF XP_001144794 . "PREDICTED: probable E3 ubiquitin-protein ligase MID2 isoform X2 [Pan troglodytes]" . . . . . 92.13 705 98.29 98.29 4.04e-74 . . . . 11106 1 12 no REF XP_001491041 . "PREDICTED: probable E3 ubiquitin-protein ligase MID2 isoformX1 [Equus caballus]" . . . . . 92.13 685 98.29 98.29 2.67e-74 . . . . 11106 1 13 no SP Q9QUS6 . "RecName: Full=Probable E3 ubiquitin-protein ligase MID2; AltName: Full=Midline defect 2; AltName: Full=Midline-2; AltName: Full" . . . . . 92.13 705 98.29 98.29 2.50e-74 . . . . 11106 1 14 no TPG DAA13074 . "TPA: midline 2-like [Bos taurus]" . . . . . 92.13 489 98.29 98.29 5.64e-76 . . . . 11106 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11106 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 . 11106 1 2 . SER . 11106 1 3 . SER . 11106 1 4 . GLY . 11106 1 5 . SER . 11106 1 6 . SER . 11106 1 7 . GLY . 11106 1 8 . GLU . 11106 1 9 . GLY . 11106 1 10 . LEU . 11106 1 11 . ASP . 11106 1 12 . TYR . 11106 1 13 . LEU . 11106 1 14 . THR . 11106 1 15 . ALA . 11106 1 16 . PRO . 11106 1 17 . ASN . 11106 1 18 . PRO . 11106 1 19 . PRO . 11106 1 20 . SER . 11106 1 21 . ILE . 11106 1 22 . ARG . 11106 1 23 . GLU . 11106 1 24 . GLU . 11106 1 25 . LEU . 11106 1 26 . CYS . 11106 1 27 . THR . 11106 1 28 . ALA . 11106 1 29 . SER . 11106 1 30 . HIS . 11106 1 31 . ASP . 11106 1 32 . THR . 11106 1 33 . ILE . 11106 1 34 . THR . 11106 1 35 . VAL . 11106 1 36 . HIS . 11106 1 37 . TRP . 11106 1 38 . ILE . 11106 1 39 . SER . 11106 1 40 . ASP . 11106 1 41 . ASP . 11106 1 42 . GLU . 11106 1 43 . PHE . 11106 1 44 . SER . 11106 1 45 . ILE . 11106 1 46 . SER . 11106 1 47 . SER . 11106 1 48 . TYR . 11106 1 49 . GLU . 11106 1 50 . LEU . 11106 1 51 . GLN . 11106 1 52 . TYR . 11106 1 53 . THR . 11106 1 54 . ILE . 11106 1 55 . PHE . 11106 1 56 . THR . 11106 1 57 . GLY . 11106 1 58 . GLN . 11106 1 59 . ALA . 11106 1 60 . ASN . 11106 1 61 . PHE . 11106 1 62 . ILE . 11106 1 63 . SER . 11106 1 64 . LEU . 11106 1 65 . TYR . 11106 1 66 . ASN . 11106 1 67 . SER . 11106 1 68 . VAL . 11106 1 69 . ASP . 11106 1 70 . SER . 11106 1 71 . TRP . 11106 1 72 . MET . 11106 1 73 . ILE . 11106 1 74 . VAL . 11106 1 75 . PRO . 11106 1 76 . ASN . 11106 1 77 . ILE . 11106 1 78 . LYS . 11106 1 79 . GLN . 11106 1 80 . ASN . 11106 1 81 . HIS . 11106 1 82 . TYR . 11106 1 83 . THR . 11106 1 84 . VAL . 11106 1 85 . HIS . 11106 1 86 . GLY . 11106 1 87 . LEU . 11106 1 88 . GLN . 11106 1 89 . SER . 11106 1 90 . GLY . 11106 1 91 . THR . 11106 1 92 . ARG . 11106 1 93 . TYR . 11106 1 94 . ILE . 11106 1 95 . PHE . 11106 1 96 . ILE . 11106 1 97 . VAL . 11106 1 98 . LYS . 11106 1 99 . ALA . 11106 1 100 . ILE . 11106 1 101 . ASN . 11106 1 102 . GLN . 11106 1 103 . ALA . 11106 1 104 . GLY . 11106 1 105 . SER . 11106 1 106 . ARG . 11106 1 107 . ASN . 11106 1 108 . SER . 11106 1 109 . GLU . 11106 1 110 . PRO . 11106 1 111 . THR . 11106 1 112 . ARG . 11106 1 113 . LEU . 11106 1 114 . LYS . 11106 1 115 . THR . 11106 1 116 . ASN . 11106 1 117 . SER . 11106 1 118 . GLN . 11106 1 119 . PRO . 11106 1 120 . PHE . 11106 1 121 . LYS . 11106 1 122 . SER . 11106 1 123 . GLY . 11106 1 124 . PRO . 11106 1 125 . SER . 11106 1 126 . SER . 11106 1 127 . GLY . 11106 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 11106 1 . SER 2 2 11106 1 . SER 3 3 11106 1 . GLY 4 4 11106 1 . SER 5 5 11106 1 . SER 6 6 11106 1 . GLY 7 7 11106 1 . GLU 8 8 11106 1 . GLY 9 9 11106 1 . LEU 10 10 11106 1 . ASP 11 11 11106 1 . TYR 12 12 11106 1 . LEU 13 13 11106 1 . THR 14 14 11106 1 . ALA 15 15 11106 1 . PRO 16 16 11106 1 . ASN 17 17 11106 1 . PRO 18 18 11106 1 . PRO 19 19 11106 1 . SER 20 20 11106 1 . ILE 21 21 11106 1 . ARG 22 22 11106 1 . GLU 23 23 11106 1 . GLU 24 24 11106 1 . LEU 25 25 11106 1 . CYS 26 26 11106 1 . THR 27 27 11106 1 . ALA 28 28 11106 1 . SER 29 29 11106 1 . HIS 30 30 11106 1 . ASP 31 31 11106 1 . THR 32 32 11106 1 . ILE 33 33 11106 1 . THR 34 34 11106 1 . VAL 35 35 11106 1 . HIS 36 36 11106 1 . TRP 37 37 11106 1 . ILE 38 38 11106 1 . SER 39 39 11106 1 . ASP 40 40 11106 1 . ASP 41 41 11106 1 . GLU 42 42 11106 1 . PHE 43 43 11106 1 . SER 44 44 11106 1 . ILE 45 45 11106 1 . SER 46 46 11106 1 . SER 47 47 11106 1 . TYR 48 48 11106 1 . GLU 49 49 11106 1 . LEU 50 50 11106 1 . GLN 51 51 11106 1 . TYR 52 52 11106 1 . THR 53 53 11106 1 . ILE 54 54 11106 1 . PHE 55 55 11106 1 . THR 56 56 11106 1 . GLY 57 57 11106 1 . GLN 58 58 11106 1 . ALA 59 59 11106 1 . ASN 60 60 11106 1 . PHE 61 61 11106 1 . ILE 62 62 11106 1 . SER 63 63 11106 1 . LEU 64 64 11106 1 . TYR 65 65 11106 1 . ASN 66 66 11106 1 . SER 67 67 11106 1 . VAL 68 68 11106 1 . ASP 69 69 11106 1 . SER 70 70 11106 1 . TRP 71 71 11106 1 . MET 72 72 11106 1 . ILE 73 73 11106 1 . VAL 74 74 11106 1 . PRO 75 75 11106 1 . ASN 76 76 11106 1 . ILE 77 77 11106 1 . LYS 78 78 11106 1 . GLN 79 79 11106 1 . ASN 80 80 11106 1 . HIS 81 81 11106 1 . TYR 82 82 11106 1 . THR 83 83 11106 1 . VAL 84 84 11106 1 . HIS 85 85 11106 1 . GLY 86 86 11106 1 . LEU 87 87 11106 1 . GLN 88 88 11106 1 . SER 89 89 11106 1 . GLY 90 90 11106 1 . THR 91 91 11106 1 . ARG 92 92 11106 1 . TYR 93 93 11106 1 . ILE 94 94 11106 1 . PHE 95 95 11106 1 . ILE 96 96 11106 1 . VAL 97 97 11106 1 . LYS 98 98 11106 1 . ALA 99 99 11106 1 . ILE 100 100 11106 1 . ASN 101 101 11106 1 . GLN 102 102 11106 1 . ALA 103 103 11106 1 . GLY 104 104 11106 1 . SER 105 105 11106 1 . ARG 106 106 11106 1 . ASN 107 107 11106 1 . SER 108 108 11106 1 . GLU 109 109 11106 1 . PRO 110 110 11106 1 . THR 111 111 11106 1 . ARG 112 112 11106 1 . LEU 113 113 11106 1 . LYS 114 114 11106 1 . THR 115 115 11106 1 . ASN 116 116 11106 1 . SER 117 117 11106 1 . GLN 118 118 11106 1 . PRO 119 119 11106 1 . PHE 120 120 11106 1 . LYS 121 121 11106 1 . SER 122 122 11106 1 . GLY 123 123 11106 1 . PRO 124 124 11106 1 . SER 125 125 11106 1 . SER 126 126 11106 1 . GLY 127 127 11106 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 11106 _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 . . . . . . . . . . . . . . . . . . . . . 11106 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 11106 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050302-86 . . . . . . 11106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11106 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM fn3 domain [U-15N, 13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O ; _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 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11106 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11106 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11106 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11106 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11106 1 6 H2O . . . . . . solvent 90 . . % . . . . 11106 1 7 D2O . . . . . . solvent 10 . . % . . . . 11106 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 11106 _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 11106 1 pH 7.0 0.05 pH 11106 1 pressure 1 0.001 atm 11106 1 temperature 296 0.1 K 11106 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11106 _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 . . 11106 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11106 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11106 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11106 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11106 2 stop_ save_ save_NMNMRView _Software.Sf_category software _Software.Sf_framecode NMNMRView _Software.Entry_ID 11106 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11106 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11106 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11106 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11106 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11106 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11106 _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.' . . 11106 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11106 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 11106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11106 _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 . 700 . . . 11106 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 11106 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11106 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11106 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 11106 _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 . . . . . . . . . 11106 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11106 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11106 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 11106 _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 11106 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11106 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11106 1 2 $NMRPipe . . 11106 1 3 $NMNMRView . . 11106 1 4 $Kujira . . 11106 1 5 $CYANA . . 11106 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 5 5 SER HA H 1 4.533 0.030 . 1 . . . . 5 SER HA . 11106 1 2 . 1 1 5 5 SER HB2 H 1 3.872 0.030 . 2 . . . . 5 SER HB2 . 11106 1 3 . 1 1 5 5 SER C C 13 174.863 0.300 . 1 . . . . 5 SER C . 11106 1 4 . 1 1 5 5 SER CA C 13 58.340 0.300 . 1 . . . . 5 SER CA . 11106 1 5 . 1 1 5 5 SER CB C 13 63.898 0.300 . 1 . . . . 5 SER CB . 11106 1 6 . 1 1 6 6 SER H H 1 8.505 0.030 . 1 . . . . 6 SER H . 11106 1 7 . 1 1 6 6 SER HA H 1 4.465 0.030 . 1 . . . . 6 SER HA . 11106 1 8 . 1 1 6 6 SER HB2 H 1 3.891 0.030 . 2 . . . . 6 SER HB2 . 11106 1 9 . 1 1 6 6 SER C C 13 175.005 0.300 . 1 . . . . 6 SER C . 11106 1 10 . 1 1 6 6 SER CA C 13 58.690 0.300 . 1 . . . . 6 SER CA . 11106 1 11 . 1 1 6 6 SER CB C 13 63.773 0.300 . 1 . . . . 6 SER CB . 11106 1 12 . 1 1 6 6 SER N N 15 117.919 0.300 . 1 . . . . 6 SER N . 11106 1 13 . 1 1 7 7 GLY H H 1 8.400 0.030 . 1 . . . . 7 GLY H . 11106 1 14 . 1 1 7 7 GLY HA2 H 1 3.950 0.030 . 2 . . . . 7 GLY HA2 . 11106 1 15 . 1 1 7 7 GLY C C 13 174.134 0.300 . 1 . . . . 7 GLY C . 11106 1 16 . 1 1 7 7 GLY CA C 13 45.424 0.300 . 1 . . . . 7 GLY CA . 11106 1 17 . 1 1 7 7 GLY N N 15 110.754 0.300 . 1 . . . . 7 GLY N . 11106 1 18 . 1 1 8 8 GLU H H 1 8.295 0.030 . 1 . . . . 8 GLU H . 11106 1 19 . 1 1 8 8 GLU HA H 1 4.300 0.030 . 1 . . . . 8 GLU HA . 11106 1 20 . 1 1 8 8 GLU HB2 H 1 2.058 0.030 . 2 . . . . 8 GLU HB2 . 11106 1 21 . 1 1 8 8 GLU HB3 H 1 1.919 0.030 . 2 . . . . 8 GLU HB3 . 11106 1 22 . 1 1 8 8 GLU HG2 H 1 2.226 0.030 . 2 . . . . 8 GLU HG2 . 11106 1 23 . 1 1 8 8 GLU C C 13 176.990 0.300 . 1 . . . . 8 GLU C . 11106 1 24 . 1 1 8 8 GLU CA C 13 56.651 0.300 . 1 . . . . 8 GLU CA . 11106 1 25 . 1 1 8 8 GLU CB C 13 30.332 0.300 . 1 . . . . 8 GLU CB . 11106 1 26 . 1 1 8 8 GLU CG C 13 36.253 0.300 . 1 . . . . 8 GLU CG . 11106 1 27 . 1 1 8 8 GLU N N 15 120.440 0.300 . 1 . . . . 8 GLU N . 11106 1 28 . 1 1 9 9 GLY H H 1 8.499 0.030 . 1 . . . . 9 GLY H . 11106 1 29 . 1 1 9 9 GLY HA2 H 1 3.947 0.030 . 1 . . . . 9 GLY HA2 . 11106 1 30 . 1 1 9 9 GLY HA3 H 1 3.947 0.030 . 1 . . . . 9 GLY HA3 . 11106 1 31 . 1 1 9 9 GLY C C 13 174.323 0.300 . 1 . . . . 9 GLY C . 11106 1 32 . 1 1 9 9 GLY CA C 13 45.518 0.300 . 1 . . . . 9 GLY CA . 11106 1 33 . 1 1 9 9 GLY N N 15 109.889 0.300 . 1 . . . . 9 GLY N . 11106 1 34 . 1 1 10 10 LEU H H 1 8.057 0.030 . 1 . . . . 10 LEU H . 11106 1 35 . 1 1 10 10 LEU HA H 1 4.321 0.030 . 1 . . . . 10 LEU HA . 11106 1 36 . 1 1 10 10 LEU HB2 H 1 1.560 0.030 . 2 . . . . 10 LEU HB2 . 11106 1 37 . 1 1 10 10 LEU HB3 H 1 1.446 0.030 . 2 . . . . 10 LEU HB3 . 11106 1 38 . 1 1 10 10 LEU HD11 H 1 0.868 0.030 . 1 . . . . 10 LEU HD1 . 11106 1 39 . 1 1 10 10 LEU HD12 H 1 0.868 0.030 . 1 . . . . 10 LEU HD1 . 11106 1 40 . 1 1 10 10 LEU HD13 H 1 0.868 0.030 . 1 . . . . 10 LEU HD1 . 11106 1 41 . 1 1 10 10 LEU HD21 H 1 0.828 0.030 . 1 . . . . 10 LEU HD2 . 11106 1 42 . 1 1 10 10 LEU HD22 H 1 0.828 0.030 . 1 . . . . 10 LEU HD2 . 11106 1 43 . 1 1 10 10 LEU HD23 H 1 0.828 0.030 . 1 . . . . 10 LEU HD2 . 11106 1 44 . 1 1 10 10 LEU HG H 1 1.532 0.030 . 1 . . . . 10 LEU HG . 11106 1 45 . 1 1 10 10 LEU C C 13 177.196 0.300 . 1 . . . . 10 LEU C . 11106 1 46 . 1 1 10 10 LEU CA C 13 55.123 0.300 . 1 . . . . 10 LEU CA . 11106 1 47 . 1 1 10 10 LEU CB C 13 42.308 0.300 . 1 . . . . 10 LEU CB . 11106 1 48 . 1 1 10 10 LEU CD1 C 13 25.105 0.300 . 2 . . . . 10 LEU CD1 . 11106 1 49 . 1 1 10 10 LEU CD2 C 13 23.324 0.300 . 2 . . . . 10 LEU CD2 . 11106 1 50 . 1 1 10 10 LEU CG C 13 26.884 0.300 . 1 . . . . 10 LEU CG . 11106 1 51 . 1 1 10 10 LEU N N 15 121.136 0.300 . 1 . . . . 10 LEU N . 11106 1 52 . 1 1 11 11 ASP H H 1 8.324 0.030 . 1 . . . . 11 ASP H . 11106 1 53 . 1 1 11 11 ASP HA H 1 4.492 0.030 . 1 . . . . 11 ASP HA . 11106 1 54 . 1 1 11 11 ASP HB2 H 1 2.584 0.030 . 2 . . . . 11 ASP HB2 . 11106 1 55 . 1 1 11 11 ASP HB3 H 1 2.507 0.030 . 2 . . . . 11 ASP HB3 . 11106 1 56 . 1 1 11 11 ASP C C 13 175.810 0.300 . 1 . . . . 11 ASP C . 11106 1 57 . 1 1 11 11 ASP CA C 13 54.655 0.300 . 1 . . . . 11 ASP CA . 11106 1 58 . 1 1 11 11 ASP CB C 13 40.898 0.300 . 1 . . . . 11 ASP CB . 11106 1 59 . 1 1 11 11 ASP N N 15 120.154 0.300 . 1 . . . . 11 ASP N . 11106 1 60 . 1 1 12 12 TYR H H 1 7.833 0.030 . 1 . . . . 12 TYR H . 11106 1 61 . 1 1 12 12 TYR HA H 1 4.541 0.030 . 1 . . . . 12 TYR HA . 11106 1 62 . 1 1 12 12 TYR HB2 H 1 3.038 0.030 . 2 . . . . 12 TYR HB2 . 11106 1 63 . 1 1 12 12 TYR HB3 H 1 2.932 0.030 . 2 . . . . 12 TYR HB3 . 11106 1 64 . 1 1 12 12 TYR HD1 H 1 7.085 0.030 . 1 . . . . 12 TYR HD1 . 11106 1 65 . 1 1 12 12 TYR HD2 H 1 7.085 0.030 . 1 . . . . 12 TYR HD2 . 11106 1 66 . 1 1 12 12 TYR HE1 H 1 6.820 0.030 . 1 . . . . 12 TYR HE1 . 11106 1 67 . 1 1 12 12 TYR HE2 H 1 6.820 0.030 . 1 . . . . 12 TYR HE2 . 11106 1 68 . 1 1 12 12 TYR C C 13 175.158 0.300 . 1 . . . . 12 TYR C . 11106 1 69 . 1 1 12 12 TYR CA C 13 57.518 0.300 . 1 . . . . 12 TYR CA . 11106 1 70 . 1 1 12 12 TYR CB C 13 38.543 0.300 . 1 . . . . 12 TYR CB . 11106 1 71 . 1 1 12 12 TYR CD1 C 13 133.228 0.300 . 1 . . . . 12 TYR CD1 . 11106 1 72 . 1 1 12 12 TYR CD2 C 13 133.228 0.300 . 1 . . . . 12 TYR CD2 . 11106 1 73 . 1 1 12 12 TYR CE1 C 13 118.421 0.300 . 1 . . . . 12 TYR CE1 . 11106 1 74 . 1 1 12 12 TYR CE2 C 13 118.421 0.300 . 1 . . . . 12 TYR CE2 . 11106 1 75 . 1 1 12 12 TYR N N 15 118.796 0.300 . 1 . . . . 12 TYR N . 11106 1 76 . 1 1 13 13 LEU H H 1 7.903 0.030 . 1 . . . . 13 LEU H . 11106 1 77 . 1 1 13 13 LEU HA H 1 4.325 0.030 . 1 . . . . 13 LEU HA . 11106 1 78 . 1 1 13 13 LEU HB2 H 1 1.526 0.030 . 1 . . . . 13 LEU HB2 . 11106 1 79 . 1 1 13 13 LEU HB3 H 1 1.526 0.030 . 1 . . . . 13 LEU HB3 . 11106 1 80 . 1 1 13 13 LEU HD11 H 1 0.909 0.030 . 1 . . . . 13 LEU HD1 . 11106 1 81 . 1 1 13 13 LEU HD12 H 1 0.909 0.030 . 1 . . . . 13 LEU HD1 . 11106 1 82 . 1 1 13 13 LEU HD13 H 1 0.909 0.030 . 1 . . . . 13 LEU HD1 . 11106 1 83 . 1 1 13 13 LEU HD21 H 1 0.824 0.030 . 1 . . . . 13 LEU HD2 . 11106 1 84 . 1 1 13 13 LEU HD22 H 1 0.824 0.030 . 1 . . . . 13 LEU HD2 . 11106 1 85 . 1 1 13 13 LEU HD23 H 1 0.824 0.030 . 1 . . . . 13 LEU HD2 . 11106 1 86 . 1 1 13 13 LEU HG H 1 1.461 0.030 . 1 . . . . 13 LEU HG . 11106 1 87 . 1 1 13 13 LEU C C 13 176.329 0.300 . 1 . . . . 13 LEU C . 11106 1 88 . 1 1 13 13 LEU CA C 13 55.134 0.300 . 1 . . . . 13 LEU CA . 11106 1 89 . 1 1 13 13 LEU CB C 13 43.006 0.300 . 1 . . . . 13 LEU CB . 11106 1 90 . 1 1 13 13 LEU CD1 C 13 24.823 0.300 . 2 . . . . 13 LEU CD1 . 11106 1 91 . 1 1 13 13 LEU CD2 C 13 24.401 0.300 . 2 . . . . 13 LEU CD2 . 11106 1 92 . 1 1 13 13 LEU CG C 13 26.736 0.300 . 1 . . . . 13 LEU CG . 11106 1 93 . 1 1 13 13 LEU N N 15 123.092 0.300 . 1 . . . . 13 LEU N . 11106 1 94 . 1 1 14 14 THR H H 1 7.775 0.030 . 1 . . . . 14 THR H . 11106 1 95 . 1 1 14 14 THR HA H 1 4.346 0.030 . 1 . . . . 14 THR HA . 11106 1 96 . 1 1 14 14 THR HB H 1 4.072 0.030 . 1 . . . . 14 THR HB . 11106 1 97 . 1 1 14 14 THR HG21 H 1 1.164 0.030 . 1 . . . . 14 THR HG2 . 11106 1 98 . 1 1 14 14 THR HG22 H 1 1.164 0.030 . 1 . . . . 14 THR HG2 . 11106 1 99 . 1 1 14 14 THR HG23 H 1 1.164 0.030 . 1 . . . . 14 THR HG2 . 11106 1 100 . 1 1 14 14 THR C C 13 173.436 0.300 . 1 . . . . 14 THR C . 11106 1 101 . 1 1 14 14 THR CA C 13 60.389 0.300 . 1 . . . . 14 THR CA . 11106 1 102 . 1 1 14 14 THR CB C 13 70.704 0.300 . 1 . . . . 14 THR CB . 11106 1 103 . 1 1 14 14 THR CG2 C 13 21.326 0.300 . 1 . . . . 14 THR CG2 . 11106 1 104 . 1 1 14 14 THR N N 15 115.296 0.300 . 1 . . . . 14 THR N . 11106 1 105 . 1 1 15 15 ALA H H 1 8.320 0.030 . 1 . . . . 15 ALA H . 11106 1 106 . 1 1 15 15 ALA HA H 1 4.267 0.030 . 1 . . . . 15 ALA HA . 11106 1 107 . 1 1 15 15 ALA HB1 H 1 1.187 0.030 . 1 . . . . 15 ALA HB . 11106 1 108 . 1 1 15 15 ALA HB2 H 1 1.187 0.030 . 1 . . . . 15 ALA HB . 11106 1 109 . 1 1 15 15 ALA HB3 H 1 1.187 0.030 . 1 . . . . 15 ALA HB . 11106 1 110 . 1 1 15 15 ALA C C 13 173.952 0.300 . 1 . . . . 15 ALA C . 11106 1 111 . 1 1 15 15 ALA CA C 13 51.073 0.300 . 1 . . . . 15 ALA CA . 11106 1 112 . 1 1 15 15 ALA CB C 13 16.528 0.300 . 1 . . . . 15 ALA CB . 11106 1 113 . 1 1 15 15 ALA N N 15 126.129 0.300 . 1 . . . . 15 ALA N . 11106 1 114 . 1 1 16 16 PRO HA H 1 4.262 0.030 . 1 . . . . 16 PRO HA . 11106 1 115 . 1 1 16 16 PRO HB2 H 1 2.142 0.030 . 2 . . . . 16 PRO HB2 . 11106 1 116 . 1 1 16 16 PRO HB3 H 1 1.662 0.030 . 2 . . . . 16 PRO HB3 . 11106 1 117 . 1 1 16 16 PRO HD2 H 1 3.613 0.030 . 2 . . . . 16 PRO HD2 . 11106 1 118 . 1 1 16 16 PRO HD3 H 1 2.821 0.030 . 2 . . . . 16 PRO HD3 . 11106 1 119 . 1 1 16 16 PRO HG2 H 1 1.633 0.030 . 2 . . . . 16 PRO HG2 . 11106 1 120 . 1 1 16 16 PRO HG3 H 1 1.559 0.030 . 2 . . . . 16 PRO HG3 . 11106 1 121 . 1 1 16 16 PRO C C 13 175.745 0.300 . 1 . . . . 16 PRO C . 11106 1 122 . 1 1 16 16 PRO CA C 13 62.494 0.300 . 1 . . . . 16 PRO CA . 11106 1 123 . 1 1 16 16 PRO CB C 13 32.664 0.300 . 1 . . . . 16 PRO CB . 11106 1 124 . 1 1 16 16 PRO CD C 13 50.094 0.300 . 1 . . . . 16 PRO CD . 11106 1 125 . 1 1 16 16 PRO CG C 13 27.580 0.300 . 1 . . . . 16 PRO CG . 11106 1 126 . 1 1 17 17 ASN H H 1 8.951 0.030 . 1 . . . . 17 ASN H . 11106 1 127 . 1 1 17 17 ASN HA H 1 4.801 0.030 . 1 . . . . 17 ASN HA . 11106 1 128 . 1 1 17 17 ASN HB2 H 1 2.781 0.030 . 2 . . . . 17 ASN HB2 . 11106 1 129 . 1 1 17 17 ASN HB3 H 1 2.662 0.030 . 2 . . . . 17 ASN HB3 . 11106 1 130 . 1 1 17 17 ASN HD21 H 1 6.987 0.030 . 2 . . . . 17 ASN HD21 . 11106 1 131 . 1 1 17 17 ASN HD22 H 1 8.422 0.030 . 2 . . . . 17 ASN HD22 . 11106 1 132 . 1 1 17 17 ASN C C 13 173.588 0.300 . 1 . . . . 17 ASN C . 11106 1 133 . 1 1 17 17 ASN CA C 13 51.562 0.300 . 1 . . . . 17 ASN CA . 11106 1 134 . 1 1 17 17 ASN CB C 13 36.755 0.300 . 1 . . . . 17 ASN CB . 11106 1 135 . 1 1 17 17 ASN N N 15 119.392 0.300 . 1 . . . . 17 ASN N . 11106 1 136 . 1 1 17 17 ASN ND2 N 15 115.350 0.300 . 1 . . . . 17 ASN ND2 . 11106 1 137 . 1 1 18 18 PRO HA H 1 4.246 0.030 . 1 . . . . 18 PRO HA . 11106 1 138 . 1 1 18 18 PRO HB2 H 1 1.881 0.030 . 2 . . . . 18 PRO HB2 . 11106 1 139 . 1 1 18 18 PRO HB3 H 1 2.342 0.030 . 2 . . . . 18 PRO HB3 . 11106 1 140 . 1 1 18 18 PRO HD2 H 1 3.667 0.030 . 2 . . . . 18 PRO HD2 . 11106 1 141 . 1 1 18 18 PRO HG2 H 1 1.958 0.030 . 2 . . . . 18 PRO HG2 . 11106 1 142 . 1 1 18 18 PRO HG3 H 1 2.281 0.030 . 2 . . . . 18 PRO HG3 . 11106 1 143 . 1 1 18 18 PRO CA C 13 61.314 0.300 . 1 . . . . 18 PRO CA . 11106 1 144 . 1 1 18 18 PRO CB C 13 30.932 0.300 . 1 . . . . 18 PRO CB . 11106 1 145 . 1 1 18 18 PRO CD C 13 49.900 0.300 . 1 . . . . 18 PRO CD . 11106 1 146 . 1 1 18 18 PRO CG C 13 28.223 0.300 . 1 . . . . 18 PRO CG . 11106 1 147 . 1 1 19 19 PRO HA H 1 4.944 0.030 . 1 . . . . 19 PRO HA . 11106 1 148 . 1 1 19 19 PRO HB2 H 1 2.269 0.030 . 2 . . . . 19 PRO HB2 . 11106 1 149 . 1 1 19 19 PRO HB3 H 1 1.504 0.030 . 2 . . . . 19 PRO HB3 . 11106 1 150 . 1 1 19 19 PRO HD2 H 1 3.418 0.030 . 2 . . . . 19 PRO HD2 . 11106 1 151 . 1 1 19 19 PRO HD3 H 1 3.973 0.030 . 2 . . . . 19 PRO HD3 . 11106 1 152 . 1 1 19 19 PRO HG2 H 1 1.922 0.030 . 2 . . . . 19 PRO HG2 . 11106 1 153 . 1 1 19 19 PRO HG3 H 1 1.849 0.030 . 2 . . . . 19 PRO HG3 . 11106 1 154 . 1 1 19 19 PRO C C 13 175.051 0.300 . 1 . . . . 19 PRO C . 11106 1 155 . 1 1 19 19 PRO CA C 13 62.272 0.300 . 1 . . . . 19 PRO CA . 11106 1 156 . 1 1 19 19 PRO CB C 13 32.439 0.300 . 1 . . . . 19 PRO CB . 11106 1 157 . 1 1 19 19 PRO CD C 13 50.149 0.300 . 1 . . . . 19 PRO CD . 11106 1 158 . 1 1 19 19 PRO CG C 13 28.526 0.300 . 1 . . . . 19 PRO CG . 11106 1 159 . 1 1 20 20 SER H H 1 8.594 0.030 . 1 . . . . 20 SER H . 11106 1 160 . 1 1 20 20 SER HA H 1 4.815 0.030 . 1 . . . . 20 SER HA . 11106 1 161 . 1 1 20 20 SER HB2 H 1 3.807 0.030 . 2 . . . . 20 SER HB2 . 11106 1 162 . 1 1 20 20 SER HB3 H 1 3.749 0.030 . 2 . . . . 20 SER HB3 . 11106 1 163 . 1 1 20 20 SER C C 13 174.668 0.300 . 1 . . . . 20 SER C . 11106 1 164 . 1 1 20 20 SER CA C 13 57.345 0.300 . 1 . . . . 20 SER CA . 11106 1 165 . 1 1 20 20 SER CB C 13 64.759 0.300 . 1 . . . . 20 SER CB . 11106 1 166 . 1 1 20 20 SER N N 15 113.352 0.300 . 1 . . . . 20 SER N . 11106 1 167 . 1 1 21 21 ILE H H 1 9.003 0.030 . 1 . . . . 21 ILE H . 11106 1 168 . 1 1 21 21 ILE HA H 1 4.310 0.030 . 1 . . . . 21 ILE HA . 11106 1 169 . 1 1 21 21 ILE HB H 1 2.124 0.030 . 1 . . . . 21 ILE HB . 11106 1 170 . 1 1 21 21 ILE HD11 H 1 0.886 0.030 . 1 . . . . 21 ILE HD1 . 11106 1 171 . 1 1 21 21 ILE HD12 H 1 0.886 0.030 . 1 . . . . 21 ILE HD1 . 11106 1 172 . 1 1 21 21 ILE HD13 H 1 0.886 0.030 . 1 . . . . 21 ILE HD1 . 11106 1 173 . 1 1 21 21 ILE HG12 H 1 1.770 0.030 . 2 . . . . 21 ILE HG12 . 11106 1 174 . 1 1 21 21 ILE HG13 H 1 0.888 0.030 . 2 . . . . 21 ILE HG13 . 11106 1 175 . 1 1 21 21 ILE HG21 H 1 0.913 0.030 . 1 . . . . 21 ILE HG2 . 11106 1 176 . 1 1 21 21 ILE HG22 H 1 0.913 0.030 . 1 . . . . 21 ILE HG2 . 11106 1 177 . 1 1 21 21 ILE HG23 H 1 0.913 0.030 . 1 . . . . 21 ILE HG2 . 11106 1 178 . 1 1 21 21 ILE C C 13 176.258 0.300 . 1 . . . . 21 ILE C . 11106 1 179 . 1 1 21 21 ILE CA C 13 62.833 0.300 . 1 . . . . 21 ILE CA . 11106 1 180 . 1 1 21 21 ILE CB C 13 37.090 0.300 . 1 . . . . 21 ILE CB . 11106 1 181 . 1 1 21 21 ILE CD1 C 13 13.746 0.300 . 1 . . . . 21 ILE CD1 . 11106 1 182 . 1 1 21 21 ILE CG1 C 13 30.101 0.300 . 1 . . . . 21 ILE CG1 . 11106 1 183 . 1 1 21 21 ILE CG2 C 13 17.714 0.300 . 1 . . . . 21 ILE CG2 . 11106 1 184 . 1 1 21 21 ILE N N 15 127.536 0.300 . 1 . . . . 21 ILE N . 11106 1 185 . 1 1 22 22 ARG H H 1 8.400 0.030 . 1 . . . . 22 ARG H . 11106 1 186 . 1 1 22 22 ARG HA H 1 4.707 0.030 . 1 . . . . 22 ARG HA . 11106 1 187 . 1 1 22 22 ARG HB2 H 1 1.581 0.030 . 2 . . . . 22 ARG HB2 . 11106 1 188 . 1 1 22 22 ARG HB3 H 1 1.782 0.030 . 2 . . . . 22 ARG HB3 . 11106 1 189 . 1 1 22 22 ARG HD2 H 1 3.144 0.030 . 2 . . . . 22 ARG HD2 . 11106 1 190 . 1 1 22 22 ARG HD3 H 1 3.041 0.030 . 2 . . . . 22 ARG HD3 . 11106 1 191 . 1 1 22 22 ARG HG2 H 1 1.656 0.030 . 1 . . . . 22 ARG HG2 . 11106 1 192 . 1 1 22 22 ARG HG3 H 1 1.656 0.030 . 1 . . . . 22 ARG HG3 . 11106 1 193 . 1 1 22 22 ARG C C 13 176.568 0.300 . 1 . . . . 22 ARG C . 11106 1 194 . 1 1 22 22 ARG CA C 13 52.939 0.300 . 1 . . . . 22 ARG CA . 11106 1 195 . 1 1 22 22 ARG CB C 13 28.667 0.300 . 1 . . . . 22 ARG CB . 11106 1 196 . 1 1 22 22 ARG CD C 13 42.785 0.300 . 1 . . . . 22 ARG CD . 11106 1 197 . 1 1 22 22 ARG CG C 13 25.409 0.300 . 1 . . . . 22 ARG CG . 11106 1 198 . 1 1 22 22 ARG N N 15 128.753 0.300 . 1 . . . . 22 ARG N . 11106 1 199 . 1 1 23 23 GLU H H 1 8.950 0.030 . 1 . . . . 23 GLU H . 11106 1 200 . 1 1 23 23 GLU HA H 1 4.076 0.030 . 1 . . . . 23 GLU HA . 11106 1 201 . 1 1 23 23 GLU HB2 H 1 2.100 0.030 . 1 . . . . 23 GLU HB2 . 11106 1 202 . 1 1 23 23 GLU HB3 H 1 2.100 0.030 . 1 . . . . 23 GLU HB3 . 11106 1 203 . 1 1 23 23 GLU HG2 H 1 2.335 0.030 . 2 . . . . 23 GLU HG2 . 11106 1 204 . 1 1 23 23 GLU HG3 H 1 2.259 0.030 . 2 . . . . 23 GLU HG3 . 11106 1 205 . 1 1 23 23 GLU C C 13 178.313 0.300 . 1 . . . . 23 GLU C . 11106 1 206 . 1 1 23 23 GLU CA C 13 61.280 0.300 . 1 . . . . 23 GLU CA . 11106 1 207 . 1 1 23 23 GLU CB C 13 29.808 0.300 . 1 . . . . 23 GLU CB . 11106 1 208 . 1 1 23 23 GLU CG C 13 36.806 0.300 . 1 . . . . 23 GLU CG . 11106 1 209 . 1 1 23 23 GLU N N 15 127.446 0.300 . 1 . . . . 23 GLU N . 11106 1 210 . 1 1 24 24 GLU H H 1 10.121 0.030 . 1 . . . . 24 GLU H . 11106 1 211 . 1 1 24 24 GLU HA H 1 4.273 0.030 . 1 . . . . 24 GLU HA . 11106 1 212 . 1 1 24 24 GLU HB2 H 1 2.085 0.030 . 2 . . . . 24 GLU HB2 . 11106 1 213 . 1 1 24 24 GLU HB3 H 1 2.027 0.030 . 2 . . . . 24 GLU HB3 . 11106 1 214 . 1 1 24 24 GLU HG2 H 1 2.405 0.030 . 2 . . . . 24 GLU HG2 . 11106 1 215 . 1 1 24 24 GLU HG3 H 1 2.099 0.030 . 2 . . . . 24 GLU HG3 . 11106 1 216 . 1 1 24 24 GLU C C 13 176.833 0.300 . 1 . . . . 24 GLU C . 11106 1 217 . 1 1 24 24 GLU CA C 13 58.436 0.300 . 1 . . . . 24 GLU CA . 11106 1 218 . 1 1 24 24 GLU CB C 13 27.875 0.300 . 1 . . . . 24 GLU CB . 11106 1 219 . 1 1 24 24 GLU CG C 13 35.711 0.300 . 1 . . . . 24 GLU CG . 11106 1 220 . 1 1 24 24 GLU N N 15 118.349 0.300 . 1 . . . . 24 GLU N . 11106 1 221 . 1 1 25 25 LEU H H 1 7.533 0.030 . 1 . . . . 25 LEU H . 11106 1 222 . 1 1 25 25 LEU HA H 1 4.268 0.030 . 1 . . . . 25 LEU HA . 11106 1 223 . 1 1 25 25 LEU HB2 H 1 0.889 0.030 . 2 . . . . 25 LEU HB2 . 11106 1 224 . 1 1 25 25 LEU HB3 H 1 1.436 0.030 . 2 . . . . 25 LEU HB3 . 11106 1 225 . 1 1 25 25 LEU HD11 H 1 0.584 0.030 . 1 . . . . 25 LEU HD1 . 11106 1 226 . 1 1 25 25 LEU HD12 H 1 0.584 0.030 . 1 . . . . 25 LEU HD1 . 11106 1 227 . 1 1 25 25 LEU HD13 H 1 0.584 0.030 . 1 . . . . 25 LEU HD1 . 11106 1 228 . 1 1 25 25 LEU HD21 H 1 0.591 0.030 . 1 . . . . 25 LEU HD2 . 11106 1 229 . 1 1 25 25 LEU HD22 H 1 0.591 0.030 . 1 . . . . 25 LEU HD2 . 11106 1 230 . 1 1 25 25 LEU HD23 H 1 0.591 0.030 . 1 . . . . 25 LEU HD2 . 11106 1 231 . 1 1 25 25 LEU HG H 1 1.297 0.030 . 1 . . . . 25 LEU HG . 11106 1 232 . 1 1 25 25 LEU C C 13 177.093 0.300 . 1 . . . . 25 LEU C . 11106 1 233 . 1 1 25 25 LEU CA C 13 54.097 0.300 . 1 . . . . 25 LEU CA . 11106 1 234 . 1 1 25 25 LEU CB C 13 42.698 0.300 . 1 . . . . 25 LEU CB . 11106 1 235 . 1 1 25 25 LEU CD1 C 13 24.966 0.300 . 2 . . . . 25 LEU CD1 . 11106 1 236 . 1 1 25 25 LEU CD2 C 13 21.889 0.300 . 2 . . . . 25 LEU CD2 . 11106 1 237 . 1 1 25 25 LEU CG C 13 27.062 0.300 . 1 . . . . 25 LEU CG . 11106 1 238 . 1 1 25 25 LEU N N 15 118.799 0.300 . 1 . . . . 25 LEU N . 11106 1 239 . 1 1 26 26 CYS H H 1 7.216 0.030 . 1 . . . . 26 CYS H . 11106 1 240 . 1 1 26 26 CYS HA H 1 4.688 0.030 . 1 . . . . 26 CYS HA . 11106 1 241 . 1 1 26 26 CYS HB2 H 1 3.235 0.030 . 2 . . . . 26 CYS HB2 . 11106 1 242 . 1 1 26 26 CYS HB3 H 1 2.759 0.030 . 2 . . . . 26 CYS HB3 . 11106 1 243 . 1 1 26 26 CYS C C 13 174.619 0.300 . 1 . . . . 26 CYS C . 11106 1 244 . 1 1 26 26 CYS CA C 13 60.435 0.300 . 1 . . . . 26 CYS CA . 11106 1 245 . 1 1 26 26 CYS CB C 13 29.069 0.300 . 1 . . . . 26 CYS CB . 11106 1 246 . 1 1 26 26 CYS N N 15 117.033 0.300 . 1 . . . . 26 CYS N . 11106 1 247 . 1 1 27 27 THR H H 1 8.333 0.030 . 1 . . . . 27 THR H . 11106 1 248 . 1 1 27 27 THR HA H 1 4.738 0.030 . 1 . . . . 27 THR HA . 11106 1 249 . 1 1 27 27 THR HB H 1 4.204 0.030 . 1 . . . . 27 THR HB . 11106 1 250 . 1 1 27 27 THR HG21 H 1 1.098 0.030 . 1 . . . . 27 THR HG2 . 11106 1 251 . 1 1 27 27 THR HG22 H 1 1.098 0.030 . 1 . . . . 27 THR HG2 . 11106 1 252 . 1 1 27 27 THR HG23 H 1 1.098 0.030 . 1 . . . . 27 THR HG2 . 11106 1 253 . 1 1 27 27 THR C C 13 172.326 0.300 . 1 . . . . 27 THR C . 11106 1 254 . 1 1 27 27 THR CA C 13 60.263 0.300 . 1 . . . . 27 THR CA . 11106 1 255 . 1 1 27 27 THR CB C 13 71.986 0.300 . 1 . . . . 27 THR CB . 11106 1 256 . 1 1 27 27 THR CG2 C 13 21.546 0.300 . 1 . . . . 27 THR CG2 . 11106 1 257 . 1 1 27 27 THR N N 15 113.793 0.300 . 1 . . . . 27 THR N . 11106 1 258 . 1 1 28 28 ALA H H 1 8.506 0.030 . 1 . . . . 28 ALA H . 11106 1 259 . 1 1 28 28 ALA HA H 1 5.165 0.030 . 1 . . . . 28 ALA HA . 11106 1 260 . 1 1 28 28 ALA HB1 H 1 1.566 0.030 . 1 . . . . 28 ALA HB . 11106 1 261 . 1 1 28 28 ALA HB2 H 1 1.566 0.030 . 1 . . . . 28 ALA HB . 11106 1 262 . 1 1 28 28 ALA HB3 H 1 1.566 0.030 . 1 . . . . 28 ALA HB . 11106 1 263 . 1 1 28 28 ALA C C 13 176.933 0.300 . 1 . . . . 28 ALA C . 11106 1 264 . 1 1 28 28 ALA CA C 13 51.686 0.300 . 1 . . . . 28 ALA CA . 11106 1 265 . 1 1 28 28 ALA CB C 13 24.445 0.300 . 1 . . . . 28 ALA CB . 11106 1 266 . 1 1 28 28 ALA N N 15 122.653 0.300 . 1 . . . . 28 ALA N . 11106 1 267 . 1 1 29 29 SER H H 1 8.696 0.030 . 1 . . . . 29 SER H . 11106 1 268 . 1 1 29 29 SER HA H 1 5.009 0.030 . 1 . . . . 29 SER HA . 11106 1 269 . 1 1 29 29 SER HB2 H 1 4.330 0.030 . 2 . . . . 29 SER HB2 . 11106 1 270 . 1 1 29 29 SER HB3 H 1 3.880 0.030 . 2 . . . . 29 SER HB3 . 11106 1 271 . 1 1 29 29 SER C C 13 174.723 0.300 . 1 . . . . 29 SER C . 11106 1 272 . 1 1 29 29 SER CA C 13 56.329 0.300 . 1 . . . . 29 SER CA . 11106 1 273 . 1 1 29 29 SER CB C 13 64.899 0.300 . 1 . . . . 29 SER CB . 11106 1 274 . 1 1 29 29 SER N N 15 117.582 0.300 . 1 . . . . 29 SER N . 11106 1 275 . 1 1 30 30 HIS H H 1 8.624 0.030 . 1 . . . . 30 HIS H . 11106 1 276 . 1 1 30 30 HIS HA H 1 4.971 0.030 . 1 . . . . 30 HIS HA . 11106 1 277 . 1 1 30 30 HIS HB2 H 1 3.041 0.030 . 2 . . . . 30 HIS HB2 . 11106 1 278 . 1 1 30 30 HIS HB3 H 1 2.769 0.030 . 2 . . . . 30 HIS HB3 . 11106 1 279 . 1 1 30 30 HIS HD2 H 1 6.979 0.030 . 1 . . . . 30 HIS HD2 . 11106 1 280 . 1 1 30 30 HIS HE1 H 1 7.770 0.030 . 1 . . . . 30 HIS HE1 . 11106 1 281 . 1 1 30 30 HIS C C 13 175.170 0.300 . 1 . . . . 30 HIS C . 11106 1 282 . 1 1 30 30 HIS CA C 13 58.009 0.300 . 1 . . . . 30 HIS CA . 11106 1 283 . 1 1 30 30 HIS CB C 13 30.193 0.300 . 1 . . . . 30 HIS CB . 11106 1 284 . 1 1 30 30 HIS CD2 C 13 118.167 0.300 . 1 . . . . 30 HIS CD2 . 11106 1 285 . 1 1 30 30 HIS CE1 C 13 139.999 0.300 . 1 . . . . 30 HIS CE1 . 11106 1 286 . 1 1 30 30 HIS N N 15 119.078 0.300 . 1 . . . . 30 HIS N . 11106 1 287 . 1 1 31 31 ASP H H 1 7.318 0.030 . 1 . . . . 31 ASP H . 11106 1 288 . 1 1 31 31 ASP HA H 1 4.457 0.030 . 1 . . . . 31 ASP HA . 11106 1 289 . 1 1 31 31 ASP HB2 H 1 2.983 0.030 . 2 . . . . 31 ASP HB2 . 11106 1 290 . 1 1 31 31 ASP HB3 H 1 2.251 0.030 . 2 . . . . 31 ASP HB3 . 11106 1 291 . 1 1 31 31 ASP C C 13 175.291 0.300 . 1 . . . . 31 ASP C . 11106 1 292 . 1 1 31 31 ASP CA C 13 52.674 0.300 . 1 . . . . 31 ASP CA . 11106 1 293 . 1 1 31 31 ASP CB C 13 41.672 0.300 . 1 . . . . 31 ASP CB . 11106 1 294 . 1 1 31 31 ASP N N 15 115.312 0.300 . 1 . . . . 31 ASP N . 11106 1 295 . 1 1 32 32 THR H H 1 6.979 0.030 . 1 . . . . 32 THR H . 11106 1 296 . 1 1 32 32 THR HA H 1 5.310 0.030 . 1 . . . . 32 THR HA . 11106 1 297 . 1 1 32 32 THR HB H 1 3.648 0.030 . 1 . . . . 32 THR HB . 11106 1 298 . 1 1 32 32 THR HG21 H 1 0.828 0.030 . 1 . . . . 32 THR HG2 . 11106 1 299 . 1 1 32 32 THR HG22 H 1 0.828 0.030 . 1 . . . . 32 THR HG2 . 11106 1 300 . 1 1 32 32 THR HG23 H 1 0.828 0.030 . 1 . . . . 32 THR HG2 . 11106 1 301 . 1 1 32 32 THR C C 13 173.101 0.300 . 1 . . . . 32 THR C . 11106 1 302 . 1 1 32 32 THR CA C 13 59.542 0.300 . 1 . . . . 32 THR CA . 11106 1 303 . 1 1 32 32 THR CB C 13 73.630 0.300 . 1 . . . . 32 THR CB . 11106 1 304 . 1 1 32 32 THR CG2 C 13 21.240 0.300 . 1 . . . . 32 THR CG2 . 11106 1 305 . 1 1 32 32 THR N N 15 111.025 0.300 . 1 . . . . 32 THR N . 11106 1 306 . 1 1 33 33 ILE H H 1 7.815 0.030 . 1 . . . . 33 ILE H . 11106 1 307 . 1 1 33 33 ILE HA H 1 4.529 0.030 . 1 . . . . 33 ILE HA . 11106 1 308 . 1 1 33 33 ILE HB H 1 1.066 0.030 . 1 . . . . 33 ILE HB . 11106 1 309 . 1 1 33 33 ILE HD11 H 1 0.732 0.030 . 1 . . . . 33 ILE HD1 . 11106 1 310 . 1 1 33 33 ILE HD12 H 1 0.732 0.030 . 1 . . . . 33 ILE HD1 . 11106 1 311 . 1 1 33 33 ILE HD13 H 1 0.732 0.030 . 1 . . . . 33 ILE HD1 . 11106 1 312 . 1 1 33 33 ILE HG12 H 1 1.439 0.030 . 2 . . . . 33 ILE HG12 . 11106 1 313 . 1 1 33 33 ILE HG13 H 1 0.911 0.030 . 2 . . . . 33 ILE HG13 . 11106 1 314 . 1 1 33 33 ILE HG21 H 1 0.469 0.030 . 1 . . . . 33 ILE HG2 . 11106 1 315 . 1 1 33 33 ILE HG22 H 1 0.469 0.030 . 1 . . . . 33 ILE HG2 . 11106 1 316 . 1 1 33 33 ILE HG23 H 1 0.469 0.030 . 1 . . . . 33 ILE HG2 . 11106 1 317 . 1 1 33 33 ILE C C 13 174.636 0.300 . 1 . . . . 33 ILE C . 11106 1 318 . 1 1 33 33 ILE CA C 13 61.452 0.300 . 1 . . . . 33 ILE CA . 11106 1 319 . 1 1 33 33 ILE CB C 13 43.426 0.300 . 1 . . . . 33 ILE CB . 11106 1 320 . 1 1 33 33 ILE CD1 C 13 14.240 0.300 . 1 . . . . 33 ILE CD1 . 11106 1 321 . 1 1 33 33 ILE CG1 C 13 29.372 0.300 . 1 . . . . 33 ILE CG1 . 11106 1 322 . 1 1 33 33 ILE CG2 C 13 18.057 0.300 . 1 . . . . 33 ILE CG2 . 11106 1 323 . 1 1 33 33 ILE N N 15 120.584 0.300 . 1 . . . . 33 ILE N . 11106 1 324 . 1 1 34 34 THR H H 1 9.031 0.030 . 1 . . . . 34 THR H . 11106 1 325 . 1 1 34 34 THR HA H 1 4.829 0.030 . 1 . . . . 34 THR HA . 11106 1 326 . 1 1 34 34 THR HB H 1 4.104 0.030 . 1 . . . . 34 THR HB . 11106 1 327 . 1 1 34 34 THR HG21 H 1 0.895 0.030 . 1 . . . . 34 THR HG2 . 11106 1 328 . 1 1 34 34 THR HG22 H 1 0.895 0.030 . 1 . . . . 34 THR HG2 . 11106 1 329 . 1 1 34 34 THR HG23 H 1 0.895 0.030 . 1 . . . . 34 THR HG2 . 11106 1 330 . 1 1 34 34 THR C C 13 172.580 0.300 . 1 . . . . 34 THR C . 11106 1 331 . 1 1 34 34 THR CA C 13 62.282 0.300 . 1 . . . . 34 THR CA . 11106 1 332 . 1 1 34 34 THR CB C 13 69.100 0.300 . 1 . . . . 34 THR CB . 11106 1 333 . 1 1 34 34 THR CG2 C 13 21.106 0.300 . 1 . . . . 34 THR CG2 . 11106 1 334 . 1 1 34 34 THR N N 15 125.003 0.300 . 1 . . . . 34 THR N . 11106 1 335 . 1 1 35 35 VAL H H 1 8.494 0.030 . 1 . . . . 35 VAL H . 11106 1 336 . 1 1 35 35 VAL HA H 1 4.450 0.030 . 1 . . . . 35 VAL HA . 11106 1 337 . 1 1 35 35 VAL HB H 1 1.890 0.030 . 1 . . . . 35 VAL HB . 11106 1 338 . 1 1 35 35 VAL HG11 H 1 0.878 0.030 . 1 . . . . 35 VAL HG1 . 11106 1 339 . 1 1 35 35 VAL HG12 H 1 0.878 0.030 . 1 . . . . 35 VAL HG1 . 11106 1 340 . 1 1 35 35 VAL HG13 H 1 0.878 0.030 . 1 . . . . 35 VAL HG1 . 11106 1 341 . 1 1 35 35 VAL HG21 H 1 0.209 0.030 . 1 . . . . 35 VAL HG2 . 11106 1 342 . 1 1 35 35 VAL HG22 H 1 0.209 0.030 . 1 . . . . 35 VAL HG2 . 11106 1 343 . 1 1 35 35 VAL HG23 H 1 0.209 0.030 . 1 . . . . 35 VAL HG2 . 11106 1 344 . 1 1 35 35 VAL C C 13 174.044 0.300 . 1 . . . . 35 VAL C . 11106 1 345 . 1 1 35 35 VAL CA C 13 60.204 0.300 . 1 . . . . 35 VAL CA . 11106 1 346 . 1 1 35 35 VAL CB C 13 33.905 0.300 . 1 . . . . 35 VAL CB . 11106 1 347 . 1 1 35 35 VAL CG1 C 13 22.327 0.300 . 2 . . . . 35 VAL CG1 . 11106 1 348 . 1 1 35 35 VAL CG2 C 13 21.665 0.300 . 2 . . . . 35 VAL CG2 . 11106 1 349 . 1 1 35 35 VAL N N 15 126.765 0.300 . 1 . . . . 35 VAL N . 11106 1 350 . 1 1 36 36 HIS H H 1 7.184 0.030 . 1 . . . . 36 HIS H . 11106 1 351 . 1 1 36 36 HIS HA H 1 4.766 0.030 . 1 . . . . 36 HIS HA . 11106 1 352 . 1 1 36 36 HIS HB2 H 1 2.938 0.030 . 2 . . . . 36 HIS HB2 . 11106 1 353 . 1 1 36 36 HIS HB3 H 1 2.631 0.030 . 2 . . . . 36 HIS HB3 . 11106 1 354 . 1 1 36 36 HIS HD2 H 1 6.529 0.030 . 1 . . . . 36 HIS HD2 . 11106 1 355 . 1 1 36 36 HIS HE1 H 1 7.190 0.030 . 1 . . . . 36 HIS HE1 . 11106 1 356 . 1 1 36 36 HIS C C 13 175.009 0.300 . 1 . . . . 36 HIS C . 11106 1 357 . 1 1 36 36 HIS CA C 13 55.341 0.300 . 1 . . . . 36 HIS CA . 11106 1 358 . 1 1 36 36 HIS CB C 13 36.313 0.300 . 1 . . . . 36 HIS CB . 11106 1 359 . 1 1 36 36 HIS CD2 C 13 118.803 0.300 . 1 . . . . 36 HIS CD2 . 11106 1 360 . 1 1 36 36 HIS CE1 C 13 136.699 0.300 . 1 . . . . 36 HIS CE1 . 11106 1 361 . 1 1 36 36 HIS N N 15 124.774 0.300 . 1 . . . . 36 HIS N . 11106 1 362 . 1 1 37 37 TRP H H 1 8.243 0.030 . 1 . . . . 37 TRP H . 11106 1 363 . 1 1 37 37 TRP HA H 1 5.544 0.030 . 1 . . . . 37 TRP HA . 11106 1 364 . 1 1 37 37 TRP HB2 H 1 3.060 0.030 . 2 . . . . 37 TRP HB2 . 11106 1 365 . 1 1 37 37 TRP HB3 H 1 2.734 0.030 . 2 . . . . 37 TRP HB3 . 11106 1 366 . 1 1 37 37 TRP HD1 H 1 6.254 0.030 . 1 . . . . 37 TRP HD1 . 11106 1 367 . 1 1 37 37 TRP HE1 H 1 5.768 0.030 . 1 . . . . 37 TRP HE1 . 11106 1 368 . 1 1 37 37 TRP HE3 H 1 6.809 0.030 . 1 . . . . 37 TRP HE3 . 11106 1 369 . 1 1 37 37 TRP HH2 H 1 6.658 0.030 . 1 . . . . 37 TRP HH2 . 11106 1 370 . 1 1 37 37 TRP HZ2 H 1 7.011 0.030 . 1 . . . . 37 TRP HZ2 . 11106 1 371 . 1 1 37 37 TRP HZ3 H 1 6.594 0.030 . 1 . . . . 37 TRP HZ3 . 11106 1 372 . 1 1 37 37 TRP C C 13 173.231 0.300 . 1 . . . . 37 TRP C . 11106 1 373 . 1 1 37 37 TRP CA C 13 55.963 0.300 . 1 . . . . 37 TRP CA . 11106 1 374 . 1 1 37 37 TRP CB C 13 32.400 0.300 . 1 . . . . 37 TRP CB . 11106 1 375 . 1 1 37 37 TRP CD1 C 13 124.586 0.300 . 1 . . . . 37 TRP CD1 . 11106 1 376 . 1 1 37 37 TRP CE3 C 13 119.827 0.300 . 1 . . . . 37 TRP CE3 . 11106 1 377 . 1 1 37 37 TRP CH2 C 13 122.629 0.300 . 1 . . . . 37 TRP CH2 . 11106 1 378 . 1 1 37 37 TRP CZ2 C 13 115.013 0.300 . 1 . . . . 37 TRP CZ2 . 11106 1 379 . 1 1 37 37 TRP CZ3 C 13 121.378 0.300 . 1 . . . . 37 TRP CZ3 . 11106 1 380 . 1 1 37 37 TRP N N 15 119.137 0.300 . 1 . . . . 37 TRP N . 11106 1 381 . 1 1 37 37 TRP NE1 N 15 124.908 0.300 . 1 . . . . 37 TRP NE1 . 11106 1 382 . 1 1 38 38 ILE H H 1 8.838 0.030 . 1 . . . . 38 ILE H . 11106 1 383 . 1 1 38 38 ILE HA H 1 4.824 0.030 . 1 . . . . 38 ILE HA . 11106 1 384 . 1 1 38 38 ILE HB H 1 1.782 0.030 . 1 . . . . 38 ILE HB . 11106 1 385 . 1 1 38 38 ILE HD11 H 1 0.901 0.030 . 1 . . . . 38 ILE HD1 . 11106 1 386 . 1 1 38 38 ILE HD12 H 1 0.901 0.030 . 1 . . . . 38 ILE HD1 . 11106 1 387 . 1 1 38 38 ILE HD13 H 1 0.901 0.030 . 1 . . . . 38 ILE HD1 . 11106 1 388 . 1 1 38 38 ILE HG12 H 1 1.552 0.030 . 2 . . . . 38 ILE HG12 . 11106 1 389 . 1 1 38 38 ILE HG13 H 1 1.166 0.030 . 2 . . . . 38 ILE HG13 . 11106 1 390 . 1 1 38 38 ILE HG21 H 1 0.931 0.030 . 1 . . . . 38 ILE HG2 . 11106 1 391 . 1 1 38 38 ILE HG22 H 1 0.931 0.030 . 1 . . . . 38 ILE HG2 . 11106 1 392 . 1 1 38 38 ILE HG23 H 1 0.931 0.030 . 1 . . . . 38 ILE HG2 . 11106 1 393 . 1 1 38 38 ILE C C 13 174.727 0.300 . 1 . . . . 38 ILE C . 11106 1 394 . 1 1 38 38 ILE CA C 13 59.429 0.300 . 1 . . . . 38 ILE CA . 11106 1 395 . 1 1 38 38 ILE CB C 13 42.523 0.300 . 1 . . . . 38 ILE CB . 11106 1 396 . 1 1 38 38 ILE CD1 C 13 13.689 0.300 . 1 . . . . 38 ILE CD1 . 11106 1 397 . 1 1 38 38 ILE CG1 C 13 27.843 0.300 . 1 . . . . 38 ILE CG1 . 11106 1 398 . 1 1 38 38 ILE CG2 C 13 17.222 0.300 . 1 . . . . 38 ILE CG2 . 11106 1 399 . 1 1 38 38 ILE N N 15 115.817 0.300 . 1 . . . . 38 ILE N . 11106 1 400 . 1 1 39 39 SER H H 1 8.672 0.030 . 1 . . . . 39 SER H . 11106 1 401 . 1 1 39 39 SER HA H 1 4.968 0.030 . 1 . . . . 39 SER HA . 11106 1 402 . 1 1 39 39 SER HB2 H 1 4.019 0.030 . 2 . . . . 39 SER HB2 . 11106 1 403 . 1 1 39 39 SER HB3 H 1 3.658 0.030 . 2 . . . . 39 SER HB3 . 11106 1 404 . 1 1 39 39 SER C C 13 173.877 0.300 . 1 . . . . 39 SER C . 11106 1 405 . 1 1 39 39 SER CA C 13 57.698 0.300 . 1 . . . . 39 SER CA . 11106 1 406 . 1 1 39 39 SER CB C 13 65.383 0.300 . 1 . . . . 39 SER CB . 11106 1 407 . 1 1 39 39 SER N N 15 121.131 0.300 . 1 . . . . 39 SER N . 11106 1 408 . 1 1 40 40 ASP H H 1 8.866 0.030 . 1 . . . . 40 ASP H . 11106 1 409 . 1 1 40 40 ASP HA H 1 4.548 0.030 . 1 . . . . 40 ASP HA . 11106 1 410 . 1 1 40 40 ASP HB2 H 1 2.725 0.030 . 1 . . . . 40 ASP HB2 . 11106 1 411 . 1 1 40 40 ASP HB3 H 1 2.725 0.030 . 1 . . . . 40 ASP HB3 . 11106 1 412 . 1 1 40 40 ASP C C 13 176.216 0.300 . 1 . . . . 40 ASP C . 11106 1 413 . 1 1 40 40 ASP CA C 13 55.147 0.300 . 1 . . . . 40 ASP CA . 11106 1 414 . 1 1 40 40 ASP CB C 13 40.666 0.300 . 1 . . . . 40 ASP CB . 11106 1 415 . 1 1 40 40 ASP N N 15 124.188 0.300 . 1 . . . . 40 ASP N . 11106 1 416 . 1 1 41 41 ASP H H 1 8.776 0.030 . 1 . . . . 41 ASP H . 11106 1 417 . 1 1 41 41 ASP HA H 1 4.632 0.030 . 1 . . . . 41 ASP HA . 11106 1 418 . 1 1 41 41 ASP HB2 H 1 2.602 0.030 . 2 . . . . 41 ASP HB2 . 11106 1 419 . 1 1 41 41 ASP HB3 H 1 2.503 0.030 . 2 . . . . 41 ASP HB3 . 11106 1 420 . 1 1 41 41 ASP C C 13 176.554 0.300 . 1 . . . . 41 ASP C . 11106 1 421 . 1 1 41 41 ASP CA C 13 53.018 0.300 . 1 . . . . 41 ASP CA . 11106 1 422 . 1 1 41 41 ASP CB C 13 39.556 0.300 . 1 . . . . 41 ASP CB . 11106 1 423 . 1 1 41 41 ASP N N 15 120.156 0.300 . 1 . . . . 41 ASP N . 11106 1 424 . 1 1 42 42 GLU H H 1 7.932 0.030 . 1 . . . . 42 GLU H . 11106 1 425 . 1 1 42 42 GLU HA H 1 3.887 0.030 . 1 . . . . 42 GLU HA . 11106 1 426 . 1 1 42 42 GLU HB2 H 1 2.031 0.030 . 2 . . . . 42 GLU HB2 . 11106 1 427 . 1 1 42 42 GLU HB3 H 1 1.909 0.030 . 2 . . . . 42 GLU HB3 . 11106 1 428 . 1 1 42 42 GLU HG2 H 1 2.137 0.030 . 2 . . . . 42 GLU HG2 . 11106 1 429 . 1 1 42 42 GLU HG3 H 1 2.016 0.030 . 2 . . . . 42 GLU HG3 . 11106 1 430 . 1 1 42 42 GLU C C 13 177.222 0.300 . 1 . . . . 42 GLU C . 11106 1 431 . 1 1 42 42 GLU CA C 13 59.271 0.300 . 1 . . . . 42 GLU CA . 11106 1 432 . 1 1 42 42 GLU CB C 13 30.037 0.300 . 1 . . . . 42 GLU CB . 11106 1 433 . 1 1 42 42 GLU CG C 13 35.916 0.300 . 1 . . . . 42 GLU CG . 11106 1 434 . 1 1 42 42 GLU N N 15 120.124 0.300 . 1 . . . . 42 GLU N . 11106 1 435 . 1 1 43 43 PHE H H 1 7.944 0.030 . 1 . . . . 43 PHE H . 11106 1 436 . 1 1 43 43 PHE HA H 1 4.577 0.030 . 1 . . . . 43 PHE HA . 11106 1 437 . 1 1 43 43 PHE HB2 H 1 3.210 0.030 . 2 . . . . 43 PHE HB2 . 11106 1 438 . 1 1 43 43 PHE HB3 H 1 3.098 0.030 . 2 . . . . 43 PHE HB3 . 11106 1 439 . 1 1 43 43 PHE HD1 H 1 7.302 0.030 . 1 . . . . 43 PHE HD1 . 11106 1 440 . 1 1 43 43 PHE HD2 H 1 7.302 0.030 . 1 . . . . 43 PHE HD2 . 11106 1 441 . 1 1 43 43 PHE HE1 H 1 7.372 0.030 . 1 . . . . 43 PHE HE1 . 11106 1 442 . 1 1 43 43 PHE HE2 H 1 7.372 0.030 . 1 . . . . 43 PHE HE2 . 11106 1 443 . 1 1 43 43 PHE C C 13 176.219 0.300 . 1 . . . . 43 PHE C . 11106 1 444 . 1 1 43 43 PHE CA C 13 58.589 0.300 . 1 . . . . 43 PHE CA . 11106 1 445 . 1 1 43 43 PHE CB C 13 38.605 0.300 . 1 . . . . 43 PHE CB . 11106 1 446 . 1 1 43 43 PHE CD1 C 13 131.694 0.300 . 1 . . . . 43 PHE CD1 . 11106 1 447 . 1 1 43 43 PHE CD2 C 13 131.694 0.300 . 1 . . . . 43 PHE CD2 . 11106 1 448 . 1 1 43 43 PHE CE1 C 13 131.658 0.300 . 1 . . . . 43 PHE CE1 . 11106 1 449 . 1 1 43 43 PHE CE2 C 13 131.658 0.300 . 1 . . . . 43 PHE CE2 . 11106 1 450 . 1 1 43 43 PHE N N 15 116.277 0.300 . 1 . . . . 43 PHE N . 11106 1 451 . 1 1 44 44 SER H H 1 7.989 0.030 . 1 . . . . 44 SER H . 11106 1 452 . 1 1 44 44 SER HA H 1 4.405 0.030 . 1 . . . . 44 SER HA . 11106 1 453 . 1 1 44 44 SER HB2 H 1 3.885 0.030 . 2 . . . . 44 SER HB2 . 11106 1 454 . 1 1 44 44 SER HB3 H 1 3.768 0.030 . 2 . . . . 44 SER HB3 . 11106 1 455 . 1 1 44 44 SER C C 13 173.740 0.300 . 1 . . . . 44 SER C . 11106 1 456 . 1 1 44 44 SER CA C 13 58.197 0.300 . 1 . . . . 44 SER CA . 11106 1 457 . 1 1 44 44 SER CB C 13 63.992 0.300 . 1 . . . . 44 SER CB . 11106 1 458 . 1 1 44 44 SER N N 15 114.452 0.300 . 1 . . . . 44 SER N . 11106 1 459 . 1 1 45 45 ILE H H 1 7.566 0.030 . 1 . . . . 45 ILE H . 11106 1 460 . 1 1 45 45 ILE HA H 1 3.928 0.030 . 1 . . . . 45 ILE HA . 11106 1 461 . 1 1 45 45 ILE HB H 1 1.810 0.030 . 1 . . . . 45 ILE HB . 11106 1 462 . 1 1 45 45 ILE HD11 H 1 0.753 0.030 . 1 . . . . 45 ILE HD1 . 11106 1 463 . 1 1 45 45 ILE HD12 H 1 0.753 0.030 . 1 . . . . 45 ILE HD1 . 11106 1 464 . 1 1 45 45 ILE HD13 H 1 0.753 0.030 . 1 . . . . 45 ILE HD1 . 11106 1 465 . 1 1 45 45 ILE HG12 H 1 1.452 0.030 . 2 . . . . 45 ILE HG12 . 11106 1 466 . 1 1 45 45 ILE HG13 H 1 1.084 0.030 . 2 . . . . 45 ILE HG13 . 11106 1 467 . 1 1 45 45 ILE HG21 H 1 0.340 0.030 . 1 . . . . 45 ILE HG2 . 11106 1 468 . 1 1 45 45 ILE HG22 H 1 0.340 0.030 . 1 . . . . 45 ILE HG2 . 11106 1 469 . 1 1 45 45 ILE HG23 H 1 0.340 0.030 . 1 . . . . 45 ILE HG2 . 11106 1 470 . 1 1 45 45 ILE C C 13 176.230 0.300 . 1 . . . . 45 ILE C . 11106 1 471 . 1 1 45 45 ILE CA C 13 60.758 0.300 . 1 . . . . 45 ILE CA . 11106 1 472 . 1 1 45 45 ILE CB C 13 38.795 0.300 . 1 . . . . 45 ILE CB . 11106 1 473 . 1 1 45 45 ILE CD1 C 13 12.629 0.300 . 1 . . . . 45 ILE CD1 . 11106 1 474 . 1 1 45 45 ILE CG1 C 13 27.849 0.300 . 1 . . . . 45 ILE CG1 . 11106 1 475 . 1 1 45 45 ILE CG2 C 13 17.763 0.300 . 1 . . . . 45 ILE CG2 . 11106 1 476 . 1 1 45 45 ILE N N 15 122.799 0.300 . 1 . . . . 45 ILE N . 11106 1 477 . 1 1 46 46 SER H H 1 9.122 0.030 . 1 . . . . 46 SER H . 11106 1 478 . 1 1 46 46 SER HA H 1 4.523 0.030 . 1 . . . . 46 SER HA . 11106 1 479 . 1 1 46 46 SER HB2 H 1 3.812 0.030 . 1 . . . . 46 SER HB2 . 11106 1 480 . 1 1 46 46 SER HB3 H 1 3.812 0.030 . 1 . . . . 46 SER HB3 . 11106 1 481 . 1 1 46 46 SER C C 13 174.732 0.300 . 1 . . . . 46 SER C . 11106 1 482 . 1 1 46 46 SER CA C 13 59.919 0.300 . 1 . . . . 46 SER CA . 11106 1 483 . 1 1 46 46 SER CB C 13 63.777 0.300 . 1 . . . . 46 SER CB . 11106 1 484 . 1 1 46 46 SER N N 15 122.707 0.300 . 1 . . . . 46 SER N . 11106 1 485 . 1 1 47 47 SER H H 1 7.815 0.030 . 1 . . . . 47 SER H . 11106 1 486 . 1 1 47 47 SER HA H 1 4.402 0.030 . 1 . . . . 47 SER HA . 11106 1 487 . 1 1 47 47 SER HB2 H 1 4.010 0.030 . 2 . . . . 47 SER HB2 . 11106 1 488 . 1 1 47 47 SER HB3 H 1 3.653 0.030 . 2 . . . . 47 SER HB3 . 11106 1 489 . 1 1 47 47 SER C C 13 169.830 0.300 . 1 . . . . 47 SER C . 11106 1 490 . 1 1 47 47 SER CA C 13 58.445 0.300 . 1 . . . . 47 SER CA . 11106 1 491 . 1 1 47 47 SER CB C 13 64.925 0.300 . 1 . . . . 47 SER CB . 11106 1 492 . 1 1 47 47 SER N N 15 113.266 0.300 . 1 . . . . 47 SER N . 11106 1 493 . 1 1 48 48 TYR H H 1 9.168 0.030 . 1 . . . . 48 TYR H . 11106 1 494 . 1 1 48 48 TYR HA H 1 5.727 0.030 . 1 . . . . 48 TYR HA . 11106 1 495 . 1 1 48 48 TYR HB2 H 1 2.751 0.030 . 2 . . . . 48 TYR HB2 . 11106 1 496 . 1 1 48 48 TYR HB3 H 1 2.594 0.030 . 2 . . . . 48 TYR HB3 . 11106 1 497 . 1 1 48 48 TYR HD1 H 1 7.088 0.030 . 1 . . . . 48 TYR HD1 . 11106 1 498 . 1 1 48 48 TYR HD2 H 1 7.088 0.030 . 1 . . . . 48 TYR HD2 . 11106 1 499 . 1 1 48 48 TYR HE1 H 1 6.745 0.030 . 1 . . . . 48 TYR HE1 . 11106 1 500 . 1 1 48 48 TYR HE2 H 1 6.745 0.030 . 1 . . . . 48 TYR HE2 . 11106 1 501 . 1 1 48 48 TYR C C 13 175.076 0.300 . 1 . . . . 48 TYR C . 11106 1 502 . 1 1 48 48 TYR CA C 13 55.930 0.300 . 1 . . . . 48 TYR CA . 11106 1 503 . 1 1 48 48 TYR CB C 13 42.148 0.300 . 1 . . . . 48 TYR CB . 11106 1 504 . 1 1 48 48 TYR CE1 C 13 117.606 0.300 . 1 . . . . 48 TYR CE1 . 11106 1 505 . 1 1 48 48 TYR CE2 C 13 117.606 0.300 . 1 . . . . 48 TYR CE2 . 11106 1 506 . 1 1 48 48 TYR N N 15 114.064 0.300 . 1 . . . . 48 TYR N . 11106 1 507 . 1 1 49 49 GLU H H 1 8.895 0.030 . 1 . . . . 49 GLU H . 11106 1 508 . 1 1 49 49 GLU HA H 1 5.167 0.030 . 1 . . . . 49 GLU HA . 11106 1 509 . 1 1 49 49 GLU HB2 H 1 1.907 0.030 . 2 . . . . 49 GLU HB2 . 11106 1 510 . 1 1 49 49 GLU HB3 H 1 1.730 0.030 . 2 . . . . 49 GLU HB3 . 11106 1 511 . 1 1 49 49 GLU HG2 H 1 2.030 0.030 . 2 . . . . 49 GLU HG2 . 11106 1 512 . 1 1 49 49 GLU HG3 H 1 1.866 0.030 . 2 . . . . 49 GLU HG3 . 11106 1 513 . 1 1 49 49 GLU C C 13 174.431 0.300 . 1 . . . . 49 GLU C . 11106 1 514 . 1 1 49 49 GLU CA C 13 54.107 0.300 . 1 . . . . 49 GLU CA . 11106 1 515 . 1 1 49 49 GLU CB C 13 34.225 0.300 . 1 . . . . 49 GLU CB . 11106 1 516 . 1 1 49 49 GLU CG C 13 37.823 0.300 . 1 . . . . 49 GLU CG . 11106 1 517 . 1 1 49 49 GLU N N 15 119.030 0.300 . 1 . . . . 49 GLU N . 11106 1 518 . 1 1 50 50 LEU H H 1 8.626 0.030 . 1 . . . . 50 LEU H . 11106 1 519 . 1 1 50 50 LEU HA H 1 4.878 0.030 . 1 . . . . 50 LEU HA . 11106 1 520 . 1 1 50 50 LEU HB2 H 1 1.719 0.030 . 2 . . . . 50 LEU HB2 . 11106 1 521 . 1 1 50 50 LEU HB3 H 1 0.975 0.030 . 2 . . . . 50 LEU HB3 . 11106 1 522 . 1 1 50 50 LEU HD11 H 1 0.908 0.030 . 1 . . . . 50 LEU HD1 . 11106 1 523 . 1 1 50 50 LEU HD12 H 1 0.908 0.030 . 1 . . . . 50 LEU HD1 . 11106 1 524 . 1 1 50 50 LEU HD13 H 1 0.908 0.030 . 1 . . . . 50 LEU HD1 . 11106 1 525 . 1 1 50 50 LEU HD21 H 1 0.929 0.030 . 1 . . . . 50 LEU HD2 . 11106 1 526 . 1 1 50 50 LEU HD22 H 1 0.929 0.030 . 1 . . . . 50 LEU HD2 . 11106 1 527 . 1 1 50 50 LEU HD23 H 1 0.929 0.030 . 1 . . . . 50 LEU HD2 . 11106 1 528 . 1 1 50 50 LEU HG H 1 1.656 0.030 . 1 . . . . 50 LEU HG . 11106 1 529 . 1 1 50 50 LEU C C 13 174.396 0.300 . 1 . . . . 50 LEU C . 11106 1 530 . 1 1 50 50 LEU CA C 13 53.307 0.300 . 1 . . . . 50 LEU CA . 11106 1 531 . 1 1 50 50 LEU CB C 13 46.055 0.300 . 1 . . . . 50 LEU CB . 11106 1 532 . 1 1 50 50 LEU CD1 C 13 24.469 0.300 . 2 . . . . 50 LEU CD1 . 11106 1 533 . 1 1 50 50 LEU CD2 C 13 27.043 0.300 . 2 . . . . 50 LEU CD2 . 11106 1 534 . 1 1 50 50 LEU CG C 13 27.507 0.300 . 1 . . . . 50 LEU CG . 11106 1 535 . 1 1 50 50 LEU N N 15 127.507 0.300 . 1 . . . . 50 LEU N . 11106 1 536 . 1 1 51 51 GLN H H 1 9.208 0.030 . 1 . . . . 51 GLN H . 11106 1 537 . 1 1 51 51 GLN HA H 1 5.931 0.030 . 1 . . . . 51 GLN HA . 11106 1 538 . 1 1 51 51 GLN HB2 H 1 2.013 0.030 . 2 . . . . 51 GLN HB2 . 11106 1 539 . 1 1 51 51 GLN HB3 H 1 1.949 0.030 . 2 . . . . 51 GLN HB3 . 11106 1 540 . 1 1 51 51 GLN HE21 H 1 6.286 0.030 . 2 . . . . 51 GLN HE21 . 11106 1 541 . 1 1 51 51 GLN HE22 H 1 6.222 0.030 . 2 . . . . 51 GLN HE22 . 11106 1 542 . 1 1 51 51 GLN HG2 H 1 2.108 0.030 . 1 . . . . 51 GLN HG2 . 11106 1 543 . 1 1 51 51 GLN HG3 H 1 2.108 0.030 . 1 . . . . 51 GLN HG3 . 11106 1 544 . 1 1 51 51 GLN C C 13 175.185 0.300 . 1 . . . . 51 GLN C . 11106 1 545 . 1 1 51 51 GLN CA C 13 53.347 0.300 . 1 . . . . 51 GLN CA . 11106 1 546 . 1 1 51 51 GLN CB C 13 31.749 0.300 . 1 . . . . 51 GLN CB . 11106 1 547 . 1 1 51 51 GLN CG C 13 33.596 0.300 . 1 . . . . 51 GLN CG . 11106 1 548 . 1 1 51 51 GLN N N 15 124.654 0.300 . 1 . . . . 51 GLN N . 11106 1 549 . 1 1 51 51 GLN NE2 N 15 107.738 0.300 . 1 . . . . 51 GLN NE2 . 11106 1 550 . 1 1 52 52 TYR H H 1 9.351 0.030 . 1 . . . . 52 TYR H . 11106 1 551 . 1 1 52 52 TYR HA H 1 6.108 0.030 . 1 . . . . 52 TYR HA . 11106 1 552 . 1 1 52 52 TYR HB2 H 1 2.731 0.030 . 2 . . . . 52 TYR HB2 . 11106 1 553 . 1 1 52 52 TYR HB3 H 1 1.860 0.030 . 2 . . . . 52 TYR HB3 . 11106 1 554 . 1 1 52 52 TYR HD1 H 1 6.556 0.030 . 1 . . . . 52 TYR HD1 . 11106 1 555 . 1 1 52 52 TYR HD2 H 1 6.556 0.030 . 1 . . . . 52 TYR HD2 . 11106 1 556 . 1 1 52 52 TYR HE1 H 1 6.508 0.030 . 1 . . . . 52 TYR HE1 . 11106 1 557 . 1 1 52 52 TYR HE2 H 1 6.508 0.030 . 1 . . . . 52 TYR HE2 . 11106 1 558 . 1 1 52 52 TYR C C 13 173.492 0.300 . 1 . . . . 52 TYR C . 11106 1 559 . 1 1 52 52 TYR CA C 13 56.186 0.300 . 1 . . . . 52 TYR CA . 11106 1 560 . 1 1 52 52 TYR CB C 13 42.494 0.300 . 1 . . . . 52 TYR CB . 11106 1 561 . 1 1 52 52 TYR CD1 C 13 132.810 0.300 . 1 . . . . 52 TYR CD1 . 11106 1 562 . 1 1 52 52 TYR CD2 C 13 132.810 0.300 . 1 . . . . 52 TYR CD2 . 11106 1 563 . 1 1 52 52 TYR CE1 C 13 118.230 0.300 . 1 . . . . 52 TYR CE1 . 11106 1 564 . 1 1 52 52 TYR CE2 C 13 118.230 0.300 . 1 . . . . 52 TYR CE2 . 11106 1 565 . 1 1 52 52 TYR N N 15 119.191 0.300 . 1 . . . . 52 TYR N . 11106 1 566 . 1 1 53 53 THR H H 1 7.964 0.030 . 1 . . . . 53 THR H . 11106 1 567 . 1 1 53 53 THR HA H 1 4.436 0.030 . 1 . . . . 53 THR HA . 11106 1 568 . 1 1 53 53 THR HB H 1 2.967 0.030 . 1 . . . . 53 THR HB . 11106 1 569 . 1 1 53 53 THR HG21 H 1 -0.243 0.030 . 1 . . . . 53 THR HG2 . 11106 1 570 . 1 1 53 53 THR HG22 H 1 -0.243 0.030 . 1 . . . . 53 THR HG2 . 11106 1 571 . 1 1 53 53 THR HG23 H 1 -0.243 0.030 . 1 . . . . 53 THR HG2 . 11106 1 572 . 1 1 53 53 THR C C 13 172.201 0.300 . 1 . . . . 53 THR C . 11106 1 573 . 1 1 53 53 THR CA C 13 59.746 0.300 . 1 . . . . 53 THR CA . 11106 1 574 . 1 1 53 53 THR CB C 13 69.570 0.300 . 1 . . . . 53 THR CB . 11106 1 575 . 1 1 53 53 THR CG2 C 13 17.290 0.300 . 1 . . . . 53 THR CG2 . 11106 1 576 . 1 1 53 53 THR N N 15 112.496 0.300 . 1 . . . . 53 THR N . 11106 1 577 . 1 1 54 54 ILE H H 1 7.687 0.030 . 1 . . . . 54 ILE H . 11106 1 578 . 1 1 54 54 ILE HA H 1 3.655 0.030 . 1 . . . . 54 ILE HA . 11106 1 579 . 1 1 54 54 ILE HB H 1 1.527 0.030 . 1 . . . . 54 ILE HB . 11106 1 580 . 1 1 54 54 ILE HD11 H 1 0.792 0.030 . 1 . . . . 54 ILE HD1 . 11106 1 581 . 1 1 54 54 ILE HD12 H 1 0.792 0.030 . 1 . . . . 54 ILE HD1 . 11106 1 582 . 1 1 54 54 ILE HD13 H 1 0.792 0.030 . 1 . . . . 54 ILE HD1 . 11106 1 583 . 1 1 54 54 ILE HG12 H 1 1.399 0.030 . 2 . . . . 54 ILE HG12 . 11106 1 584 . 1 1 54 54 ILE HG13 H 1 0.562 0.030 . 2 . . . . 54 ILE HG13 . 11106 1 585 . 1 1 54 54 ILE HG21 H 1 0.659 0.030 . 1 . . . . 54 ILE HG2 . 11106 1 586 . 1 1 54 54 ILE HG22 H 1 0.659 0.030 . 1 . . . . 54 ILE HG2 . 11106 1 587 . 1 1 54 54 ILE HG23 H 1 0.659 0.030 . 1 . . . . 54 ILE HG2 . 11106 1 588 . 1 1 54 54 ILE C C 13 175.133 0.300 . 1 . . . . 54 ILE C . 11106 1 589 . 1 1 54 54 ILE CA C 13 62.799 0.300 . 1 . . . . 54 ILE CA . 11106 1 590 . 1 1 54 54 ILE CB C 13 39.176 0.300 . 1 . . . . 54 ILE CB . 11106 1 591 . 1 1 54 54 ILE CD1 C 13 13.882 0.300 . 1 . . . . 54 ILE CD1 . 11106 1 592 . 1 1 54 54 ILE CG1 C 13 29.622 0.300 . 1 . . . . 54 ILE CG1 . 11106 1 593 . 1 1 54 54 ILE CG2 C 13 16.523 0.300 . 1 . . . . 54 ILE CG2 . 11106 1 594 . 1 1 54 54 ILE N N 15 125.329 0.300 . 1 . . . . 54 ILE N . 11106 1 595 . 1 1 55 55 PHE H H 1 8.703 0.030 . 1 . . . . 55 PHE H . 11106 1 596 . 1 1 55 55 PHE HA H 1 4.574 0.030 . 1 . . . . 55 PHE HA . 11106 1 597 . 1 1 55 55 PHE HB2 H 1 2.516 0.030 . 2 . . . . 55 PHE HB2 . 11106 1 598 . 1 1 55 55 PHE HB3 H 1 2.708 0.030 . 2 . . . . 55 PHE HB3 . 11106 1 599 . 1 1 55 55 PHE HD1 H 1 6.998 0.030 . 1 . . . . 55 PHE HD1 . 11106 1 600 . 1 1 55 55 PHE HD2 H 1 6.998 0.030 . 1 . . . . 55 PHE HD2 . 11106 1 601 . 1 1 55 55 PHE HE1 H 1 7.339 0.030 . 1 . . . . 55 PHE HE1 . 11106 1 602 . 1 1 55 55 PHE HE2 H 1 7.339 0.030 . 1 . . . . 55 PHE HE2 . 11106 1 603 . 1 1 55 55 PHE HZ H 1 7.338 0.030 . 1 . . . . 55 PHE HZ . 11106 1 604 . 1 1 55 55 PHE C C 13 174.537 0.300 . 1 . . . . 55 PHE C . 11106 1 605 . 1 1 55 55 PHE CA C 13 56.969 0.300 . 1 . . . . 55 PHE CA . 11106 1 606 . 1 1 55 55 PHE CB C 13 39.867 0.300 . 1 . . . . 55 PHE CB . 11106 1 607 . 1 1 55 55 PHE CD1 C 13 131.622 0.300 . 1 . . . . 55 PHE CD1 . 11106 1 608 . 1 1 55 55 PHE CD2 C 13 131.622 0.300 . 1 . . . . 55 PHE CD2 . 11106 1 609 . 1 1 55 55 PHE CE1 C 13 131.622 0.300 . 1 . . . . 55 PHE CE1 . 11106 1 610 . 1 1 55 55 PHE CE2 C 13 131.622 0.300 . 1 . . . . 55 PHE CE2 . 11106 1 611 . 1 1 55 55 PHE CZ C 13 130.498 0.300 . 1 . . . . 55 PHE CZ . 11106 1 612 . 1 1 55 55 PHE N N 15 128.016 0.300 . 1 . . . . 55 PHE N . 11106 1 613 . 1 1 56 56 THR H H 1 8.069 0.030 . 1 . . . . 56 THR H . 11106 1 614 . 1 1 56 56 THR HA H 1 4.179 0.030 . 1 . . . . 56 THR HA . 11106 1 615 . 1 1 56 56 THR HB H 1 4.290 0.030 . 1 . . . . 56 THR HB . 11106 1 616 . 1 1 56 56 THR HG21 H 1 1.025 0.030 . 1 . . . . 56 THR HG2 . 11106 1 617 . 1 1 56 56 THR HG22 H 1 1.025 0.030 . 1 . . . . 56 THR HG2 . 11106 1 618 . 1 1 56 56 THR HG23 H 1 1.025 0.030 . 1 . . . . 56 THR HG2 . 11106 1 619 . 1 1 56 56 THR C C 13 174.743 0.300 . 1 . . . . 56 THR C . 11106 1 620 . 1 1 56 56 THR CA C 13 60.969 0.300 . 1 . . . . 56 THR CA . 11106 1 621 . 1 1 56 56 THR CB C 13 69.361 0.300 . 1 . . . . 56 THR CB . 11106 1 622 . 1 1 56 56 THR CG2 C 13 21.478 0.300 . 1 . . . . 56 THR CG2 . 11106 1 623 . 1 1 56 56 THR N N 15 118.032 0.300 . 1 . . . . 56 THR N . 11106 1 624 . 1 1 57 57 GLY H H 1 6.065 0.030 . 1 . . . . 57 GLY H . 11106 1 625 . 1 1 57 57 GLY HA2 H 1 4.051 0.030 . 2 . . . . 57 GLY HA2 . 11106 1 626 . 1 1 57 57 GLY HA3 H 1 3.318 0.030 . 2 . . . . 57 GLY HA3 . 11106 1 627 . 1 1 57 57 GLY C C 13 174.099 0.300 . 1 . . . . 57 GLY C . 11106 1 628 . 1 1 57 57 GLY CA C 13 45.212 0.300 . 1 . . . . 57 GLY CA . 11106 1 629 . 1 1 57 57 GLY N N 15 107.298 0.300 . 1 . . . . 57 GLY N . 11106 1 630 . 1 1 58 58 GLN H H 1 7.337 0.030 . 1 . . . . 58 GLN H . 11106 1 631 . 1 1 58 58 GLN HA H 1 4.169 0.030 . 1 . . . . 58 GLN HA . 11106 1 632 . 1 1 58 58 GLN HB2 H 1 2.090 0.030 . 2 . . . . 58 GLN HB2 . 11106 1 633 . 1 1 58 58 GLN HB3 H 1 1.959 0.030 . 2 . . . . 58 GLN HB3 . 11106 1 634 . 1 1 58 58 GLN HE21 H 1 6.833 0.030 . 2 . . . . 58 GLN HE21 . 11106 1 635 . 1 1 58 58 GLN HE22 H 1 7.541 0.030 . 2 . . . . 58 GLN HE22 . 11106 1 636 . 1 1 58 58 GLN HG2 H 1 2.392 0.030 . 2 . . . . 58 GLN HG2 . 11106 1 637 . 1 1 58 58 GLN HG3 H 1 2.346 0.030 . 2 . . . . 58 GLN HG3 . 11106 1 638 . 1 1 58 58 GLN C C 13 176.241 0.300 . 1 . . . . 58 GLN C . 11106 1 639 . 1 1 58 58 GLN CA C 13 56.968 0.300 . 1 . . . . 58 GLN CA . 11106 1 640 . 1 1 58 58 GLN CB C 13 29.003 0.300 . 1 . . . . 58 GLN CB . 11106 1 641 . 1 1 58 58 GLN CG C 13 33.639 0.300 . 1 . . . . 58 GLN CG . 11106 1 642 . 1 1 58 58 GLN NE2 N 15 112.350 0.300 . 1 . . . . 58 GLN NE2 . 11106 1 643 . 1 1 59 59 ALA H H 1 8.312 0.030 . 1 . . . . 59 ALA H . 11106 1 644 . 1 1 59 59 ALA HA H 1 4.292 0.030 . 1 . . . . 59 ALA HA . 11106 1 645 . 1 1 59 59 ALA HB1 H 1 1.329 0.030 . 1 . . . . 59 ALA HB . 11106 1 646 . 1 1 59 59 ALA HB2 H 1 1.329 0.030 . 1 . . . . 59 ALA HB . 11106 1 647 . 1 1 59 59 ALA HB3 H 1 1.329 0.030 . 1 . . . . 59 ALA HB . 11106 1 648 . 1 1 59 59 ALA C C 13 177.547 0.300 . 1 . . . . 59 ALA C . 11106 1 649 . 1 1 59 59 ALA CA C 13 52.969 0.300 . 1 . . . . 59 ALA CA . 11106 1 650 . 1 1 59 59 ALA CB C 13 19.448 0.300 . 1 . . . . 59 ALA CB . 11106 1 651 . 1 1 59 59 ALA N N 15 123.256 0.300 . 1 . . . . 59 ALA N . 11106 1 652 . 1 1 60 60 ASN H H 1 8.134 0.030 . 1 . . . . 60 ASN H . 11106 1 653 . 1 1 60 60 ASN HA H 1 4.717 0.030 . 1 . . . . 60 ASN HA . 11106 1 654 . 1 1 60 60 ASN HB2 H 1 2.821 0.030 . 2 . . . . 60 ASN HB2 . 11106 1 655 . 1 1 60 60 ASN HB3 H 1 2.773 0.030 . 2 . . . . 60 ASN HB3 . 11106 1 656 . 1 1 60 60 ASN C C 13 175.249 0.300 . 1 . . . . 60 ASN C . 11106 1 657 . 1 1 60 60 ASN CA C 13 52.850 0.300 . 1 . . . . 60 ASN CA . 11106 1 658 . 1 1 60 60 ASN CB C 13 38.813 0.300 . 1 . . . . 60 ASN CB . 11106 1 659 . 1 1 60 60 ASN N N 15 116.040 0.300 . 1 . . . . 60 ASN N . 11106 1 660 . 1 1 61 61 PHE H H 1 8.269 0.030 . 1 . . . . 61 PHE H . 11106 1 661 . 1 1 61 61 PHE HA H 1 4.370 0.030 . 1 . . . . 61 PHE HA . 11106 1 662 . 1 1 61 61 PHE HB2 H 1 3.202 0.030 . 2 . . . . 61 PHE HB2 . 11106 1 663 . 1 1 61 61 PHE HB3 H 1 3.134 0.030 . 2 . . . . 61 PHE HB3 . 11106 1 664 . 1 1 61 61 PHE HD1 H 1 7.242 0.030 . 1 . . . . 61 PHE HD1 . 11106 1 665 . 1 1 61 61 PHE HD2 H 1 7.242 0.030 . 1 . . . . 61 PHE HD2 . 11106 1 666 . 1 1 61 61 PHE HE1 H 1 7.281 0.030 . 1 . . . . 61 PHE HE1 . 11106 1 667 . 1 1 61 61 PHE HE2 H 1 7.281 0.030 . 1 . . . . 61 PHE HE2 . 11106 1 668 . 1 1 61 61 PHE HZ H 1 7.125 0.030 . 1 . . . . 61 PHE HZ . 11106 1 669 . 1 1 61 61 PHE C C 13 175.876 0.300 . 1 . . . . 61 PHE C . 11106 1 670 . 1 1 61 61 PHE CA C 13 60.241 0.300 . 1 . . . . 61 PHE CA . 11106 1 671 . 1 1 61 61 PHE CB C 13 39.285 0.300 . 1 . . . . 61 PHE CB . 11106 1 672 . 1 1 61 61 PHE CD1 C 13 131.837 0.300 . 1 . . . . 61 PHE CD1 . 11106 1 673 . 1 1 61 61 PHE CD2 C 13 131.837 0.300 . 1 . . . . 61 PHE CD2 . 11106 1 674 . 1 1 61 61 PHE CE1 C 13 131.222 0.300 . 1 . . . . 61 PHE CE1 . 11106 1 675 . 1 1 61 61 PHE CE2 C 13 131.222 0.300 . 1 . . . . 61 PHE CE2 . 11106 1 676 . 1 1 61 61 PHE CZ C 13 129.710 0.300 . 1 . . . . 61 PHE CZ . 11106 1 677 . 1 1 61 61 PHE N N 15 120.852 0.300 . 1 . . . . 61 PHE N . 11106 1 678 . 1 1 62 62 ILE H H 1 8.101 0.030 . 1 . . . . 62 ILE H . 11106 1 679 . 1 1 62 62 ILE HA H 1 3.841 0.030 . 1 . . . . 62 ILE HA . 11106 1 680 . 1 1 62 62 ILE HB H 1 1.890 0.030 . 1 . . . . 62 ILE HB . 11106 1 681 . 1 1 62 62 ILE HD11 H 1 0.883 0.030 . 1 . . . . 62 ILE HD1 . 11106 1 682 . 1 1 62 62 ILE HD12 H 1 0.883 0.030 . 1 . . . . 62 ILE HD1 . 11106 1 683 . 1 1 62 62 ILE HD13 H 1 0.883 0.030 . 1 . . . . 62 ILE HD1 . 11106 1 684 . 1 1 62 62 ILE HG12 H 1 1.544 0.030 . 2 . . . . 62 ILE HG12 . 11106 1 685 . 1 1 62 62 ILE HG13 H 1 1.270 0.030 . 2 . . . . 62 ILE HG13 . 11106 1 686 . 1 1 62 62 ILE HG21 H 1 0.902 0.030 . 1 . . . . 62 ILE HG2 . 11106 1 687 . 1 1 62 62 ILE HG22 H 1 0.902 0.030 . 1 . . . . 62 ILE HG2 . 11106 1 688 . 1 1 62 62 ILE HG23 H 1 0.902 0.030 . 1 . . . . 62 ILE HG2 . 11106 1 689 . 1 1 62 62 ILE C C 13 177.161 0.300 . 1 . . . . 62 ILE C . 11106 1 690 . 1 1 62 62 ILE CA C 13 62.898 0.300 . 1 . . . . 62 ILE CA . 11106 1 691 . 1 1 62 62 ILE CB C 13 37.835 0.300 . 1 . . . . 62 ILE CB . 11106 1 692 . 1 1 62 62 ILE CD1 C 13 12.680 0.300 . 1 . . . . 62 ILE CD1 . 11106 1 693 . 1 1 62 62 ILE CG1 C 13 28.184 0.300 . 1 . . . . 62 ILE CG1 . 11106 1 694 . 1 1 62 62 ILE CG2 C 13 17.514 0.300 . 1 . . . . 62 ILE CG2 . 11106 1 695 . 1 1 62 62 ILE N N 15 119.810 0.300 . 1 . . . . 62 ILE N . 11106 1 696 . 1 1 63 63 SER H H 1 7.929 0.030 . 1 . . . . 63 SER H . 11106 1 697 . 1 1 63 63 SER HA H 1 4.321 0.030 . 1 . . . . 63 SER HA . 11106 1 698 . 1 1 63 63 SER HB2 H 1 3.866 0.030 . 2 . . . . 63 SER HB2 . 11106 1 699 . 1 1 63 63 SER C C 13 175.995 0.300 . 1 . . . . 63 SER C . 11106 1 700 . 1 1 63 63 SER CA C 13 59.702 0.300 . 1 . . . . 63 SER CA . 11106 1 701 . 1 1 63 63 SER CB C 13 63.290 0.300 . 1 . . . . 63 SER CB . 11106 1 702 . 1 1 63 63 SER N N 15 116.269 0.300 . 1 . . . . 63 SER N . 11106 1 703 . 1 1 64 64 LEU H H 1 7.966 0.030 . 1 . . . . 64 LEU H . 11106 1 704 . 1 1 64 64 LEU HA H 1 4.129 0.030 . 1 . . . . 64 LEU HA . 11106 1 705 . 1 1 64 64 LEU HB2 H 1 1.500 0.030 . 2 . . . . 64 LEU HB2 . 11106 1 706 . 1 1 64 64 LEU HB3 H 1 1.441 0.030 . 2 . . . . 64 LEU HB3 . 11106 1 707 . 1 1 64 64 LEU HD11 H 1 0.756 0.030 . 1 . . . . 64 LEU HD1 . 11106 1 708 . 1 1 64 64 LEU HD12 H 1 0.756 0.030 . 1 . . . . 64 LEU HD1 . 11106 1 709 . 1 1 64 64 LEU HD13 H 1 0.756 0.030 . 1 . . . . 64 LEU HD1 . 11106 1 710 . 1 1 64 64 LEU HD21 H 1 0.729 0.030 . 1 . . . . 64 LEU HD2 . 11106 1 711 . 1 1 64 64 LEU HD22 H 1 0.729 0.030 . 1 . . . . 64 LEU HD2 . 11106 1 712 . 1 1 64 64 LEU HD23 H 1 0.729 0.030 . 1 . . . . 64 LEU HD2 . 11106 1 713 . 1 1 64 64 LEU HG H 1 1.477 0.030 . 1 . . . . 64 LEU HG . 11106 1 714 . 1 1 64 64 LEU C C 13 178.752 0.300 . 1 . . . . 64 LEU C . 11106 1 715 . 1 1 64 64 LEU CA C 13 56.807 0.300 . 1 . . . . 64 LEU CA . 11106 1 716 . 1 1 64 64 LEU CB C 13 42.371 0.300 . 1 . . . . 64 LEU CB . 11106 1 717 . 1 1 64 64 LEU CD1 C 13 24.541 0.300 . 2 . . . . 64 LEU CD1 . 11106 1 718 . 1 1 64 64 LEU CD2 C 13 24.197 0.300 . 2 . . . . 64 LEU CD2 . 11106 1 719 . 1 1 64 64 LEU CG C 13 26.815 0.300 . 1 . . . . 64 LEU CG . 11106 1 720 . 1 1 64 64 LEU N N 15 123.099 0.300 . 1 . . . . 64 LEU N . 11106 1 721 . 1 1 65 65 TYR H H 1 8.310 0.030 . 1 . . . . 65 TYR H . 11106 1 722 . 1 1 65 65 TYR HA H 1 4.243 0.030 . 1 . . . . 65 TYR HA . 11106 1 723 . 1 1 65 65 TYR HB2 H 1 2.897 0.030 . 2 . . . . 65 TYR HB2 . 11106 1 724 . 1 1 65 65 TYR HB3 H 1 2.630 0.030 . 2 . . . . 65 TYR HB3 . 11106 1 725 . 1 1 65 65 TYR HD1 H 1 6.873 0.030 . 1 . . . . 65 TYR HD1 . 11106 1 726 . 1 1 65 65 TYR HD2 H 1 6.873 0.030 . 1 . . . . 65 TYR HD2 . 11106 1 727 . 1 1 65 65 TYR HE1 H 1 6.648 0.030 . 1 . . . . 65 TYR HE1 . 11106 1 728 . 1 1 65 65 TYR HE2 H 1 6.648 0.030 . 1 . . . . 65 TYR HE2 . 11106 1 729 . 1 1 65 65 TYR C C 13 176.170 0.300 . 1 . . . . 65 TYR C . 11106 1 730 . 1 1 65 65 TYR CA C 13 59.466 0.300 . 1 . . . . 65 TYR CA . 11106 1 731 . 1 1 65 65 TYR CB C 13 37.899 0.300 . 1 . . . . 65 TYR CB . 11106 1 732 . 1 1 65 65 TYR CD1 C 13 132.819 0.300 . 1 . . . . 65 TYR CD1 . 11106 1 733 . 1 1 65 65 TYR CD2 C 13 132.819 0.300 . 1 . . . . 65 TYR CD2 . 11106 1 734 . 1 1 65 65 TYR CE1 C 13 118.104 0.300 . 1 . . . . 65 TYR CE1 . 11106 1 735 . 1 1 65 65 TYR CE2 C 13 118.104 0.300 . 1 . . . . 65 TYR CE2 . 11106 1 736 . 1 1 65 65 TYR N N 15 119.348 0.300 . 1 . . . . 65 TYR N . 11106 1 737 . 1 1 66 66 ASN H H 1 7.816 0.030 . 1 . . . . 66 ASN H . 11106 1 738 . 1 1 66 66 ASN HA H 1 4.616 0.030 . 1 . . . . 66 ASN HA . 11106 1 739 . 1 1 66 66 ASN HB2 H 1 2.857 0.030 . 2 . . . . 66 ASN HB2 . 11106 1 740 . 1 1 66 66 ASN HB3 H 1 2.757 0.030 . 2 . . . . 66 ASN HB3 . 11106 1 741 . 1 1 66 66 ASN HD21 H 1 6.904 0.030 . 2 . . . . 66 ASN HD21 . 11106 1 742 . 1 1 66 66 ASN HD22 H 1 7.557 0.030 . 2 . . . . 66 ASN HD22 . 11106 1 743 . 1 1 66 66 ASN C C 13 175.317 0.300 . 1 . . . . 66 ASN C . 11106 1 744 . 1 1 66 66 ASN CA C 13 53.682 0.300 . 1 . . . . 66 ASN CA . 11106 1 745 . 1 1 66 66 ASN CB C 13 38.920 0.300 . 1 . . . . 66 ASN CB . 11106 1 746 . 1 1 66 66 ASN N N 15 116.557 0.300 . 1 . . . . 66 ASN N . 11106 1 747 . 1 1 66 66 ASN ND2 N 15 112.516 0.300 . 1 . . . . 66 ASN ND2 . 11106 1 748 . 1 1 67 67 SER H H 1 7.832 0.030 . 1 . . . . 67 SER H . 11106 1 749 . 1 1 67 67 SER HA H 1 4.609 0.030 . 1 . . . . 67 SER HA . 11106 1 750 . 1 1 67 67 SER HB2 H 1 3.968 0.030 . 1 . . . . 67 SER HB2 . 11106 1 751 . 1 1 67 67 SER HB3 H 1 3.968 0.030 . 1 . . . . 67 SER HB3 . 11106 1 752 . 1 1 67 67 SER C C 13 175.169 0.300 . 1 . . . . 67 SER C . 11106 1 753 . 1 1 67 67 SER CA C 13 57.372 0.300 . 1 . . . . 67 SER CA . 11106 1 754 . 1 1 67 67 SER CB C 13 63.452 0.300 . 1 . . . . 67 SER CB . 11106 1 755 . 1 1 67 67 SER N N 15 115.617 0.300 . 1 . . . . 67 SER N . 11106 1 756 . 1 1 68 68 VAL H H 1 7.888 0.030 . 1 . . . . 68 VAL H . 11106 1 757 . 1 1 68 68 VAL HA H 1 3.693 0.030 . 1 . . . . 68 VAL HA . 11106 1 758 . 1 1 68 68 VAL HB H 1 1.928 0.030 . 1 . . . . 68 VAL HB . 11106 1 759 . 1 1 68 68 VAL HG11 H 1 0.725 0.030 . 1 . . . . 68 VAL HG1 . 11106 1 760 . 1 1 68 68 VAL HG12 H 1 0.725 0.030 . 1 . . . . 68 VAL HG1 . 11106 1 761 . 1 1 68 68 VAL HG13 H 1 0.725 0.030 . 1 . . . . 68 VAL HG1 . 11106 1 762 . 1 1 68 68 VAL HG21 H 1 0.704 0.030 . 1 . . . . 68 VAL HG2 . 11106 1 763 . 1 1 68 68 VAL HG22 H 1 0.704 0.030 . 1 . . . . 68 VAL HG2 . 11106 1 764 . 1 1 68 68 VAL HG23 H 1 0.704 0.030 . 1 . . . . 68 VAL HG2 . 11106 1 765 . 1 1 68 68 VAL C C 13 176.694 0.300 . 1 . . . . 68 VAL C . 11106 1 766 . 1 1 68 68 VAL CA C 13 63.829 0.300 . 1 . . . . 68 VAL CA . 11106 1 767 . 1 1 68 68 VAL CB C 13 31.974 0.300 . 1 . . . . 68 VAL CB . 11106 1 768 . 1 1 68 68 VAL CG1 C 13 20.483 0.300 . 2 . . . . 68 VAL CG1 . 11106 1 769 . 1 1 68 68 VAL CG2 C 13 20.648 0.300 . 2 . . . . 68 VAL CG2 . 11106 1 770 . 1 1 68 68 VAL N N 15 121.634 0.300 . 1 . . . . 68 VAL N . 11106 1 771 . 1 1 69 69 ASP H H 1 8.275 0.030 . 1 . . . . 69 ASP H . 11106 1 772 . 1 1 69 69 ASP HA H 1 4.549 0.030 . 1 . . . . 69 ASP HA . 11106 1 773 . 1 1 69 69 ASP HB2 H 1 2.665 0.030 . 2 . . . . 69 ASP HB2 . 11106 1 774 . 1 1 69 69 ASP HB3 H 1 2.592 0.030 . 2 . . . . 69 ASP HB3 . 11106 1 775 . 1 1 69 69 ASP C C 13 176.737 0.300 . 1 . . . . 69 ASP C . 11106 1 776 . 1 1 69 69 ASP CA C 13 55.542 0.300 . 1 . . . . 69 ASP CA . 11106 1 777 . 1 1 69 69 ASP CB C 13 40.788 0.300 . 1 . . . . 69 ASP CB . 11106 1 778 . 1 1 69 69 ASP N N 15 120.157 0.300 . 1 . . . . 69 ASP N . 11106 1 779 . 1 1 70 70 SER H H 1 8.131 0.030 . 1 . . . . 70 SER H . 11106 1 780 . 1 1 70 70 SER HA H 1 4.495 0.030 . 1 . . . . 70 SER HA . 11106 1 781 . 1 1 70 70 SER HB2 H 1 3.890 0.030 . 2 . . . . 70 SER HB2 . 11106 1 782 . 1 1 70 70 SER HB3 H 1 3.805 0.030 . 2 . . . . 70 SER HB3 . 11106 1 783 . 1 1 70 70 SER C C 13 174.369 0.300 . 1 . . . . 70 SER C . 11106 1 784 . 1 1 70 70 SER CA C 13 58.894 0.300 . 1 . . . . 70 SER CA . 11106 1 785 . 1 1 70 70 SER CB C 13 63.707 0.300 . 1 . . . . 70 SER CB . 11106 1 786 . 1 1 70 70 SER N N 15 113.634 0.300 . 1 . . . . 70 SER N . 11106 1 787 . 1 1 71 71 TRP H H 1 8.041 0.030 . 1 . . . . 71 TRP H . 11106 1 788 . 1 1 71 71 TRP HA H 1 4.434 0.030 . 1 . . . . 71 TRP HA . 11106 1 789 . 1 1 71 71 TRP HB2 H 1 2.970 0.030 . 1 . . . . 71 TRP HB2 . 11106 1 790 . 1 1 71 71 TRP HB3 H 1 2.970 0.030 . 1 . . . . 71 TRP HB3 . 11106 1 791 . 1 1 71 71 TRP HD1 H 1 7.331 0.030 . 1 . . . . 71 TRP HD1 . 11106 1 792 . 1 1 71 71 TRP HE1 H 1 9.880 0.030 . 1 . . . . 71 TRP HE1 . 11106 1 793 . 1 1 71 71 TRP HE3 H 1 7.209 0.030 . 1 . . . . 71 TRP HE3 . 11106 1 794 . 1 1 71 71 TRP HH2 H 1 6.888 0.030 . 1 . . . . 71 TRP HH2 . 11106 1 795 . 1 1 71 71 TRP HZ2 H 1 7.078 0.030 . 1 . . . . 71 TRP HZ2 . 11106 1 796 . 1 1 71 71 TRP HZ3 H 1 6.830 0.030 . 1 . . . . 71 TRP HZ3 . 11106 1 797 . 1 1 71 71 TRP C C 13 175.651 0.300 . 1 . . . . 71 TRP C . 11106 1 798 . 1 1 71 71 TRP CA C 13 57.154 0.300 . 1 . . . . 71 TRP CA . 11106 1 799 . 1 1 71 71 TRP CB C 13 29.356 0.300 . 1 . . . . 71 TRP CB . 11106 1 800 . 1 1 71 71 TRP CD1 C 13 127.697 0.300 . 1 . . . . 71 TRP CD1 . 11106 1 801 . 1 1 71 71 TRP CE3 C 13 120.204 0.300 . 1 . . . . 71 TRP CE3 . 11106 1 802 . 1 1 71 71 TRP CH2 C 13 123.970 0.300 . 1 . . . . 71 TRP CH2 . 11106 1 803 . 1 1 71 71 TRP CZ2 C 13 113.889 0.300 . 1 . . . . 71 TRP CZ2 . 11106 1 804 . 1 1 71 71 TRP CZ3 C 13 121.333 0.300 . 1 . . . . 71 TRP CZ3 . 11106 1 805 . 1 1 71 71 TRP N N 15 123.914 0.300 . 1 . . . . 71 TRP N . 11106 1 806 . 1 1 71 71 TRP NE1 N 15 129.753 0.300 . 1 . . . . 71 TRP NE1 . 11106 1 807 . 1 1 72 72 MET H H 1 8.858 0.030 . 1 . . . . 72 MET H . 11106 1 808 . 1 1 72 72 MET HA H 1 4.506 0.030 . 1 . . . . 72 MET HA . 11106 1 809 . 1 1 72 72 MET HB2 H 1 1.289 0.030 . 2 . . . . 72 MET HB2 . 11106 1 810 . 1 1 72 72 MET HB3 H 1 0.771 0.030 . 2 . . . . 72 MET HB3 . 11106 1 811 . 1 1 72 72 MET HE1 H 1 2.071 0.030 . 1 . . . . 72 MET HE . 11106 1 812 . 1 1 72 72 MET HE2 H 1 2.071 0.030 . 1 . . . . 72 MET HE . 11106 1 813 . 1 1 72 72 MET HE3 H 1 2.071 0.030 . 1 . . . . 72 MET HE . 11106 1 814 . 1 1 72 72 MET HG2 H 1 2.458 0.030 . 2 . . . . 72 MET HG2 . 11106 1 815 . 1 1 72 72 MET HG3 H 1 2.322 0.030 . 2 . . . . 72 MET HG3 . 11106 1 816 . 1 1 72 72 MET C C 13 175.035 0.300 . 1 . . . . 72 MET C . 11106 1 817 . 1 1 72 72 MET CA C 13 54.553 0.300 . 1 . . . . 72 MET CA . 11106 1 818 . 1 1 72 72 MET CB C 13 31.887 0.300 . 1 . . . . 72 MET CB . 11106 1 819 . 1 1 72 72 MET CE C 13 17.307 0.300 . 1 . . . . 72 MET CE . 11106 1 820 . 1 1 72 72 MET CG C 13 32.830 0.300 . 1 . . . . 72 MET CG . 11106 1 821 . 1 1 72 72 MET N N 15 122.794 0.300 . 1 . . . . 72 MET N . 11106 1 822 . 1 1 73 73 ILE H H 1 8.164 0.030 . 1 . . . . 73 ILE H . 11106 1 823 . 1 1 73 73 ILE HA H 1 5.014 0.030 . 1 . . . . 73 ILE HA . 11106 1 824 . 1 1 73 73 ILE HB H 1 1.697 0.030 . 1 . . . . 73 ILE HB . 11106 1 825 . 1 1 73 73 ILE HD11 H 1 0.732 0.030 . 1 . . . . 73 ILE HD1 . 11106 1 826 . 1 1 73 73 ILE HD12 H 1 0.732 0.030 . 1 . . . . 73 ILE HD1 . 11106 1 827 . 1 1 73 73 ILE HD13 H 1 0.732 0.030 . 1 . . . . 73 ILE HD1 . 11106 1 828 . 1 1 73 73 ILE HG12 H 1 1.412 0.030 . 2 . . . . 73 ILE HG12 . 11106 1 829 . 1 1 73 73 ILE HG13 H 1 1.008 0.030 . 2 . . . . 73 ILE HG13 . 11106 1 830 . 1 1 73 73 ILE HG21 H 1 0.689 0.030 . 1 . . . . 73 ILE HG2 . 11106 1 831 . 1 1 73 73 ILE HG22 H 1 0.689 0.030 . 1 . . . . 73 ILE HG2 . 11106 1 832 . 1 1 73 73 ILE HG23 H 1 0.689 0.030 . 1 . . . . 73 ILE HG2 . 11106 1 833 . 1 1 73 73 ILE C C 13 176.391 0.300 . 1 . . . . 73 ILE C . 11106 1 834 . 1 1 73 73 ILE CA C 13 59.781 0.300 . 1 . . . . 73 ILE CA . 11106 1 835 . 1 1 73 73 ILE CB C 13 40.763 0.300 . 1 . . . . 73 ILE CB . 11106 1 836 . 1 1 73 73 ILE CD1 C 13 12.800 0.300 . 1 . . . . 73 ILE CD1 . 11106 1 837 . 1 1 73 73 ILE CG1 C 13 27.549 0.300 . 1 . . . . 73 ILE CG1 . 11106 1 838 . 1 1 73 73 ILE CG2 C 13 17.578 0.300 . 1 . . . . 73 ILE CG2 . 11106 1 839 . 1 1 73 73 ILE N N 15 120.485 0.300 . 1 . . . . 73 ILE N . 11106 1 840 . 1 1 74 74 VAL H H 1 9.476 0.030 . 1 . . . . 74 VAL H . 11106 1 841 . 1 1 74 74 VAL HA H 1 4.578 0.030 . 1 . . . . 74 VAL HA . 11106 1 842 . 1 1 74 74 VAL HB H 1 2.011 0.030 . 1 . . . . 74 VAL HB . 11106 1 843 . 1 1 74 74 VAL HG11 H 1 0.580 0.030 . 1 . . . . 74 VAL HG1 . 11106 1 844 . 1 1 74 74 VAL HG12 H 1 0.580 0.030 . 1 . . . . 74 VAL HG1 . 11106 1 845 . 1 1 74 74 VAL HG13 H 1 0.580 0.030 . 1 . . . . 74 VAL HG1 . 11106 1 846 . 1 1 74 74 VAL HG21 H 1 1.059 0.030 . 1 . . . . 74 VAL HG2 . 11106 1 847 . 1 1 74 74 VAL HG22 H 1 1.059 0.030 . 1 . . . . 74 VAL HG2 . 11106 1 848 . 1 1 74 74 VAL HG23 H 1 1.059 0.030 . 1 . . . . 74 VAL HG2 . 11106 1 849 . 1 1 74 74 VAL C C 13 173.547 0.300 . 1 . . . . 74 VAL C . 11106 1 850 . 1 1 74 74 VAL CA C 13 59.264 0.300 . 1 . . . . 74 VAL CA . 11106 1 851 . 1 1 74 74 VAL CB C 13 33.399 0.300 . 1 . . . . 74 VAL CB . 11106 1 852 . 1 1 74 74 VAL CG1 C 13 20.336 0.300 . 2 . . . . 74 VAL CG1 . 11106 1 853 . 1 1 74 74 VAL CG2 C 13 19.758 0.300 . 2 . . . . 74 VAL CG2 . 11106 1 854 . 1 1 74 74 VAL N N 15 129.449 0.300 . 1 . . . . 74 VAL N . 11106 1 855 . 1 1 75 75 PRO HA H 1 4.834 0.030 . 1 . . . . 75 PRO HA . 11106 1 856 . 1 1 75 75 PRO HB2 H 1 1.974 0.030 . 2 . . . . 75 PRO HB2 . 11106 1 857 . 1 1 75 75 PRO HB3 H 1 2.118 0.030 . 2 . . . . 75 PRO HB3 . 11106 1 858 . 1 1 75 75 PRO HD2 H 1 3.835 0.030 . 2 . . . . 75 PRO HD2 . 11106 1 859 . 1 1 75 75 PRO HD3 H 1 3.684 0.030 . 2 . . . . 75 PRO HD3 . 11106 1 860 . 1 1 75 75 PRO HG2 H 1 2.039 0.030 . 2 . . . . 75 PRO HG2 . 11106 1 861 . 1 1 75 75 PRO HG3 H 1 1.912 0.030 . 2 . . . . 75 PRO HG3 . 11106 1 862 . 1 1 75 75 PRO C C 13 175.775 0.300 . 1 . . . . 75 PRO C . 11106 1 863 . 1 1 75 75 PRO CA C 13 61.781 0.300 . 1 . . . . 75 PRO CA . 11106 1 864 . 1 1 75 75 PRO CB C 13 33.635 0.300 . 1 . . . . 75 PRO CB . 11106 1 865 . 1 1 75 75 PRO CD C 13 50.355 0.300 . 1 . . . . 75 PRO CD . 11106 1 866 . 1 1 75 75 PRO CG C 13 25.814 0.300 . 1 . . . . 75 PRO CG . 11106 1 867 . 1 1 76 76 ASN H H 1 8.837 0.030 . 1 . . . . 76 ASN H . 11106 1 868 . 1 1 76 76 ASN HA H 1 4.254 0.030 . 1 . . . . 76 ASN HA . 11106 1 869 . 1 1 76 76 ASN HB2 H 1 3.126 0.030 . 2 . . . . 76 ASN HB2 . 11106 1 870 . 1 1 76 76 ASN HB3 H 1 2.690 0.030 . 2 . . . . 76 ASN HB3 . 11106 1 871 . 1 1 76 76 ASN HD21 H 1 6.921 0.030 . 2 . . . . 76 ASN HD21 . 11106 1 872 . 1 1 76 76 ASN HD22 H 1 7.672 0.030 . 2 . . . . 76 ASN HD22 . 11106 1 873 . 1 1 76 76 ASN C C 13 173.977 0.300 . 1 . . . . 76 ASN C . 11106 1 874 . 1 1 76 76 ASN CA C 13 54.131 0.300 . 1 . . . . 76 ASN CA . 11106 1 875 . 1 1 76 76 ASN CB C 13 37.551 0.300 . 1 . . . . 76 ASN CB . 11106 1 876 . 1 1 76 76 ASN N N 15 113.024 0.300 . 1 . . . . 76 ASN N . 11106 1 877 . 1 1 76 76 ASN ND2 N 15 113.016 0.300 . 1 . . . . 76 ASN ND2 . 11106 1 878 . 1 1 77 77 ILE H H 1 8.888 0.030 . 1 . . . . 77 ILE H . 11106 1 879 . 1 1 77 77 ILE HA H 1 4.103 0.030 . 1 . . . . 77 ILE HA . 11106 1 880 . 1 1 77 77 ILE HB H 1 1.893 0.030 . 1 . . . . 77 ILE HB . 11106 1 881 . 1 1 77 77 ILE HD11 H 1 0.473 0.030 . 1 . . . . 77 ILE HD1 . 11106 1 882 . 1 1 77 77 ILE HD12 H 1 0.473 0.030 . 1 . . . . 77 ILE HD1 . 11106 1 883 . 1 1 77 77 ILE HD13 H 1 0.473 0.030 . 1 . . . . 77 ILE HD1 . 11106 1 884 . 1 1 77 77 ILE HG12 H 1 1.490 0.030 . 2 . . . . 77 ILE HG12 . 11106 1 885 . 1 1 77 77 ILE HG13 H 1 0.628 0.030 . 2 . . . . 77 ILE HG13 . 11106 1 886 . 1 1 77 77 ILE HG21 H 1 1.382 0.030 . 1 . . . . 77 ILE HG2 . 11106 1 887 . 1 1 77 77 ILE HG22 H 1 1.382 0.030 . 1 . . . . 77 ILE HG2 . 11106 1 888 . 1 1 77 77 ILE HG23 H 1 1.382 0.030 . 1 . . . . 77 ILE HG2 . 11106 1 889 . 1 1 77 77 ILE C C 13 177.205 0.300 . 1 . . . . 77 ILE C . 11106 1 890 . 1 1 77 77 ILE CA C 13 62.855 0.300 . 1 . . . . 77 ILE CA . 11106 1 891 . 1 1 77 77 ILE CB C 13 39.297 0.300 . 1 . . . . 77 ILE CB . 11106 1 892 . 1 1 77 77 ILE CD1 C 13 15.834 0.300 . 1 . . . . 77 ILE CD1 . 11106 1 893 . 1 1 77 77 ILE CG1 C 13 27.474 0.300 . 1 . . . . 77 ILE CG1 . 11106 1 894 . 1 1 77 77 ILE CG2 C 13 18.392 0.300 . 1 . . . . 77 ILE CG2 . 11106 1 895 . 1 1 77 77 ILE N N 15 120.479 0.300 . 1 . . . . 77 ILE N . 11106 1 896 . 1 1 78 78 LYS H H 1 8.953 0.030 . 1 . . . . 78 LYS H . 11106 1 897 . 1 1 78 78 LYS HA H 1 4.941 0.030 . 1 . . . . 78 LYS HA . 11106 1 898 . 1 1 78 78 LYS HB2 H 1 2.142 0.030 . 2 . . . . 78 LYS HB2 . 11106 1 899 . 1 1 78 78 LYS HB3 H 1 1.721 0.030 . 2 . . . . 78 LYS HB3 . 11106 1 900 . 1 1 78 78 LYS HD2 H 1 1.743 0.030 . 1 . . . . 78 LYS HD2 . 11106 1 901 . 1 1 78 78 LYS HD3 H 1 1.743 0.030 . 1 . . . . 78 LYS HD3 . 11106 1 902 . 1 1 78 78 LYS HE2 H 1 3.043 0.030 . 1 . . . . 78 LYS HE2 . 11106 1 903 . 1 1 78 78 LYS HE3 H 1 3.043 0.030 . 1 . . . . 78 LYS HE3 . 11106 1 904 . 1 1 78 78 LYS HG2 H 1 1.498 0.030 . 1 . . . . 78 LYS HG2 . 11106 1 905 . 1 1 78 78 LYS HG3 H 1 1.498 0.030 . 1 . . . . 78 LYS HG3 . 11106 1 906 . 1 1 78 78 LYS C C 13 176.227 0.300 . 1 . . . . 78 LYS C . 11106 1 907 . 1 1 78 78 LYS CA C 13 55.208 0.300 . 1 . . . . 78 LYS CA . 11106 1 908 . 1 1 78 78 LYS CB C 13 32.328 0.300 . 1 . . . . 78 LYS CB . 11106 1 909 . 1 1 78 78 LYS CD C 13 28.719 0.300 . 1 . . . . 78 LYS CD . 11106 1 910 . 1 1 78 78 LYS CE C 13 42.318 0.300 . 1 . . . . 78 LYS CE . 11106 1 911 . 1 1 78 78 LYS CG C 13 24.833 0.300 . 1 . . . . 78 LYS CG . 11106 1 912 . 1 1 78 78 LYS N N 15 127.785 0.300 . 1 . . . . 78 LYS N . 11106 1 913 . 1 1 79 79 GLN H H 1 7.350 0.030 . 1 . . . . 79 GLN H . 11106 1 914 . 1 1 79 79 GLN HA H 1 4.661 0.030 . 1 . . . . 79 GLN HA . 11106 1 915 . 1 1 79 79 GLN HB2 H 1 2.122 0.030 . 2 . . . . 79 GLN HB2 . 11106 1 916 . 1 1 79 79 GLN HB3 H 1 1.757 0.030 . 2 . . . . 79 GLN HB3 . 11106 1 917 . 1 1 79 79 GLN HE21 H 1 6.836 0.030 . 2 . . . . 79 GLN HE21 . 11106 1 918 . 1 1 79 79 GLN HE22 H 1 7.448 0.030 . 2 . . . . 79 GLN HE22 . 11106 1 919 . 1 1 79 79 GLN HG2 H 1 2.256 0.030 . 1 . . . . 79 GLN HG2 . 11106 1 920 . 1 1 79 79 GLN HG3 H 1 2.256 0.030 . 1 . . . . 79 GLN HG3 . 11106 1 921 . 1 1 79 79 GLN C C 13 172.552 0.300 . 1 . . . . 79 GLN C . 11106 1 922 . 1 1 79 79 GLN CA C 13 54.493 0.300 . 1 . . . . 79 GLN CA . 11106 1 923 . 1 1 79 79 GLN CB C 13 30.709 0.300 . 1 . . . . 79 GLN CB . 11106 1 924 . 1 1 79 79 GLN CG C 13 33.179 0.300 . 1 . . . . 79 GLN CG . 11106 1 925 . 1 1 79 79 GLN N N 15 116.381 0.300 . 1 . . . . 79 GLN N . 11106 1 926 . 1 1 79 79 GLN NE2 N 15 112.320 0.300 . 1 . . . . 79 GLN NE2 . 11106 1 927 . 1 1 80 80 ASN H H 1 7.772 0.030 . 1 . . . . 80 ASN H . 11106 1 928 . 1 1 80 80 ASN HA H 1 3.664 0.030 . 1 . . . . 80 ASN HA . 11106 1 929 . 1 1 80 80 ASN HB2 H 1 2.613 0.030 . 1 . . . . 80 ASN HB2 . 11106 1 930 . 1 1 80 80 ASN HB3 H 1 2.613 0.030 . 1 . . . . 80 ASN HB3 . 11106 1 931 . 1 1 80 80 ASN HD21 H 1 7.209 0.030 . 2 . . . . 80 ASN HD21 . 11106 1 932 . 1 1 80 80 ASN HD22 H 1 6.830 0.030 . 2 . . . . 80 ASN HD22 . 11106 1 933 . 1 1 80 80 ASN C C 13 171.898 0.300 . 1 . . . . 80 ASN C . 11106 1 934 . 1 1 80 80 ASN CA C 13 51.749 0.300 . 1 . . . . 80 ASN CA . 11106 1 935 . 1 1 80 80 ASN CB C 13 36.674 0.300 . 1 . . . . 80 ASN CB . 11106 1 936 . 1 1 80 80 ASN N N 15 114.533 0.300 . 1 . . . . 80 ASN N . 11106 1 937 . 1 1 80 80 ASN ND2 N 15 110.860 0.300 . 1 . . . . 80 ASN ND2 . 11106 1 938 . 1 1 81 81 HIS H H 1 6.136 0.030 . 1 . . . . 81 HIS H . 11106 1 939 . 1 1 81 81 HIS HA H 1 4.275 0.030 . 1 . . . . 81 HIS HA . 11106 1 940 . 1 1 81 81 HIS HB2 H 1 2.272 0.030 . 2 . . . . 81 HIS HB2 . 11106 1 941 . 1 1 81 81 HIS HB3 H 1 1.671 0.030 . 2 . . . . 81 HIS HB3 . 11106 1 942 . 1 1 81 81 HIS HD2 H 1 6.540 0.030 . 1 . . . . 81 HIS HD2 . 11106 1 943 . 1 1 81 81 HIS HE1 H 1 7.750 0.030 . 1 . . . . 81 HIS HE1 . 11106 1 944 . 1 1 81 81 HIS C C 13 173.636 0.300 . 1 . . . . 81 HIS C . 11106 1 945 . 1 1 81 81 HIS CA C 13 53.965 0.300 . 1 . . . . 81 HIS CA . 11106 1 946 . 1 1 81 81 HIS CB C 13 31.089 0.300 . 1 . . . . 81 HIS CB . 11106 1 947 . 1 1 81 81 HIS CD2 C 13 121.214 0.300 . 1 . . . . 81 HIS CD2 . 11106 1 948 . 1 1 81 81 HIS CE1 C 13 137.714 0.300 . 1 . . . . 81 HIS CE1 . 11106 1 949 . 1 1 81 81 HIS N N 15 110.303 0.300 . 1 . . . . 81 HIS N . 11106 1 950 . 1 1 82 82 TYR H H 1 8.468 0.030 . 1 . . . . 82 TYR H . 11106 1 951 . 1 1 82 82 TYR HA H 1 4.205 0.030 . 1 . . . . 82 TYR HA . 11106 1 952 . 1 1 82 82 TYR HB2 H 1 3.363 0.030 . 2 . . . . 82 TYR HB2 . 11106 1 953 . 1 1 82 82 TYR HB3 H 1 2.638 0.030 . 2 . . . . 82 TYR HB3 . 11106 1 954 . 1 1 82 82 TYR HD1 H 1 6.960 0.030 . 1 . . . . 82 TYR HD1 . 11106 1 955 . 1 1 82 82 TYR HD2 H 1 6.960 0.030 . 1 . . . . 82 TYR HD2 . 11106 1 956 . 1 1 82 82 TYR HE1 H 1 6.868 0.030 . 1 . . . . 82 TYR HE1 . 11106 1 957 . 1 1 82 82 TYR HE2 H 1 6.868 0.030 . 1 . . . . 82 TYR HE2 . 11106 1 958 . 1 1 82 82 TYR C C 13 173.184 0.300 . 1 . . . . 82 TYR C . 11106 1 959 . 1 1 82 82 TYR CA C 13 59.806 0.300 . 1 . . . . 82 TYR CA . 11106 1 960 . 1 1 82 82 TYR CB C 13 43.176 0.300 . 1 . . . . 82 TYR CB . 11106 1 961 . 1 1 82 82 TYR CD1 C 13 133.100 0.300 . 1 . . . . 82 TYR CD1 . 11106 1 962 . 1 1 82 82 TYR CD2 C 13 133.100 0.300 . 1 . . . . 82 TYR CD2 . 11106 1 963 . 1 1 82 82 TYR CE1 C 13 118.794 0.300 . 1 . . . . 82 TYR CE1 . 11106 1 964 . 1 1 82 82 TYR CE2 C 13 118.794 0.300 . 1 . . . . 82 TYR CE2 . 11106 1 965 . 1 1 82 82 TYR N N 15 117.602 0.300 . 1 . . . . 82 TYR N . 11106 1 966 . 1 1 83 83 THR H H 1 7.465 0.030 . 1 . . . . 83 THR H . 11106 1 967 . 1 1 83 83 THR HA H 1 4.747 0.030 . 1 . . . . 83 THR HA . 11106 1 968 . 1 1 83 83 THR HB H 1 3.543 0.030 . 1 . . . . 83 THR HB . 11106 1 969 . 1 1 83 83 THR HG21 H 1 0.530 0.030 . 1 . . . . 83 THR HG2 . 11106 1 970 . 1 1 83 83 THR HG22 H 1 0.530 0.030 . 1 . . . . 83 THR HG2 . 11106 1 971 . 1 1 83 83 THR HG23 H 1 0.530 0.030 . 1 . . . . 83 THR HG2 . 11106 1 972 . 1 1 83 83 THR C C 13 171.596 0.300 . 1 . . . . 83 THR C . 11106 1 973 . 1 1 83 83 THR CA C 13 62.046 0.300 . 1 . . . . 83 THR CA . 11106 1 974 . 1 1 83 83 THR CB C 13 69.561 0.300 . 1 . . . . 83 THR CB . 11106 1 975 . 1 1 83 83 THR CG2 C 13 21.390 0.300 . 1 . . . . 83 THR CG2 . 11106 1 976 . 1 1 83 83 THR N N 15 124.428 0.300 . 1 . . . . 83 THR N . 11106 1 977 . 1 1 84 84 VAL H H 1 8.860 0.030 . 1 . . . . 84 VAL H . 11106 1 978 . 1 1 84 84 VAL HA H 1 4.139 0.030 . 1 . . . . 84 VAL HA . 11106 1 979 . 1 1 84 84 VAL HB H 1 1.870 0.030 . 1 . . . . 84 VAL HB . 11106 1 980 . 1 1 84 84 VAL HG11 H 1 0.707 0.030 . 1 . . . . 84 VAL HG1 . 11106 1 981 . 1 1 84 84 VAL HG12 H 1 0.707 0.030 . 1 . . . . 84 VAL HG1 . 11106 1 982 . 1 1 84 84 VAL HG13 H 1 0.707 0.030 . 1 . . . . 84 VAL HG1 . 11106 1 983 . 1 1 84 84 VAL HG21 H 1 0.838 0.030 . 1 . . . . 84 VAL HG2 . 11106 1 984 . 1 1 84 84 VAL HG22 H 1 0.838 0.030 . 1 . . . . 84 VAL HG2 . 11106 1 985 . 1 1 84 84 VAL HG23 H 1 0.838 0.030 . 1 . . . . 84 VAL HG2 . 11106 1 986 . 1 1 84 84 VAL C C 13 174.383 0.300 . 1 . . . . 84 VAL C . 11106 1 987 . 1 1 84 84 VAL CA C 13 61.457 0.300 . 1 . . . . 84 VAL CA . 11106 1 988 . 1 1 84 84 VAL CB C 13 32.542 0.300 . 1 . . . . 84 VAL CB . 11106 1 989 . 1 1 84 84 VAL CG1 C 13 22.660 0.300 . 2 . . . . 84 VAL CG1 . 11106 1 990 . 1 1 84 84 VAL CG2 C 13 21.813 0.300 . 2 . . . . 84 VAL CG2 . 11106 1 991 . 1 1 84 84 VAL N N 15 126.747 0.300 . 1 . . . . 84 VAL N . 11106 1 992 . 1 1 85 85 HIS H H 1 8.289 0.030 . 1 . . . . 85 HIS H . 11106 1 993 . 1 1 85 85 HIS HA H 1 4.970 0.030 . 1 . . . . 85 HIS HA . 11106 1 994 . 1 1 85 85 HIS HB2 H 1 3.132 0.030 . 2 . . . . 85 HIS HB2 . 11106 1 995 . 1 1 85 85 HIS HB3 H 1 2.956 0.030 . 2 . . . . 85 HIS HB3 . 11106 1 996 . 1 1 85 85 HIS HD2 H 1 6.966 0.030 . 1 . . . . 85 HIS HD2 . 11106 1 997 . 1 1 85 85 HIS HE1 H 1 7.866 0.030 . 1 . . . . 85 HIS HE1 . 11106 1 998 . 1 1 85 85 HIS C C 13 175.412 0.300 . 1 . . . . 85 HIS C . 11106 1 999 . 1 1 85 85 HIS CA C 13 54.906 0.300 . 1 . . . . 85 HIS CA . 11106 1 1000 . 1 1 85 85 HIS CB C 13 32.655 0.300 . 1 . . . . 85 HIS CB . 11106 1 1001 . 1 1 85 85 HIS CD2 C 13 121.097 0.300 . 1 . . . . 85 HIS CD2 . 11106 1 1002 . 1 1 85 85 HIS CE1 C 13 137.615 0.300 . 1 . . . . 85 HIS CE1 . 11106 1 1003 . 1 1 85 85 HIS N N 15 122.664 0.300 . 1 . . . . 85 HIS N . 11106 1 1004 . 1 1 86 86 GLY H H 1 8.681 0.030 . 1 . . . . 86 GLY H . 11106 1 1005 . 1 1 86 86 GLY HA2 H 1 3.942 0.030 . 1 . . . . 86 GLY HA2 . 11106 1 1006 . 1 1 86 86 GLY HA3 H 1 3.942 0.030 . 1 . . . . 86 GLY HA3 . 11106 1 1007 . 1 1 86 86 GLY C C 13 175.527 0.300 . 1 . . . . 86 GLY C . 11106 1 1008 . 1 1 86 86 GLY CA C 13 46.537 0.300 . 1 . . . . 86 GLY CA . 11106 1 1009 . 1 1 86 86 GLY N N 15 107.632 0.300 . 1 . . . . 86 GLY N . 11106 1 1010 . 1 1 87 87 LEU H H 1 8.130 0.030 . 1 . . . . 87 LEU H . 11106 1 1011 . 1 1 87 87 LEU HA H 1 4.318 0.030 . 1 . . . . 87 LEU HA . 11106 1 1012 . 1 1 87 87 LEU HB2 H 1 1.376 0.030 . 2 . . . . 87 LEU HB2 . 11106 1 1013 . 1 1 87 87 LEU HB3 H 1 0.971 0.030 . 2 . . . . 87 LEU HB3 . 11106 1 1014 . 1 1 87 87 LEU HD11 H 1 0.065 0.030 . 1 . . . . 87 LEU HD1 . 11106 1 1015 . 1 1 87 87 LEU HD12 H 1 0.065 0.030 . 1 . . . . 87 LEU HD1 . 11106 1 1016 . 1 1 87 87 LEU HD13 H 1 0.065 0.030 . 1 . . . . 87 LEU HD1 . 11106 1 1017 . 1 1 87 87 LEU HD21 H 1 0.175 0.030 . 1 . . . . 87 LEU HD2 . 11106 1 1018 . 1 1 87 87 LEU HD22 H 1 0.175 0.030 . 1 . . . . 87 LEU HD2 . 11106 1 1019 . 1 1 87 87 LEU HD23 H 1 0.175 0.030 . 1 . . . . 87 LEU HD2 . 11106 1 1020 . 1 1 87 87 LEU HG H 1 1.035 0.030 . 1 . . . . 87 LEU HG . 11106 1 1021 . 1 1 87 87 LEU C C 13 176.258 0.300 . 1 . . . . 87 LEU C . 11106 1 1022 . 1 1 87 87 LEU CA C 13 53.599 0.300 . 1 . . . . 87 LEU CA . 11106 1 1023 . 1 1 87 87 LEU CB C 13 41.755 0.300 . 1 . . . . 87 LEU CB . 11106 1 1024 . 1 1 87 87 LEU CD1 C 13 25.548 0.300 . 2 . . . . 87 LEU CD1 . 11106 1 1025 . 1 1 87 87 LEU CD2 C 13 20.019 0.300 . 2 . . . . 87 LEU CD2 . 11106 1 1026 . 1 1 87 87 LEU CG C 13 26.061 0.300 . 1 . . . . 87 LEU CG . 11106 1 1027 . 1 1 87 87 LEU N N 15 119.362 0.300 . 1 . . . . 87 LEU N . 11106 1 1028 . 1 1 88 88 GLN H H 1 8.157 0.030 . 1 . . . . 88 GLN H . 11106 1 1029 . 1 1 88 88 GLN HA H 1 4.494 0.030 . 1 . . . . 88 GLN HA . 11106 1 1030 . 1 1 88 88 GLN HB2 H 1 2.204 0.030 . 2 . . . . 88 GLN HB2 . 11106 1 1031 . 1 1 88 88 GLN HB3 H 1 2.044 0.030 . 2 . . . . 88 GLN HB3 . 11106 1 1032 . 1 1 88 88 GLN HE21 H 1 7.588 0.030 . 2 . . . . 88 GLN HE21 . 11106 1 1033 . 1 1 88 88 GLN HE22 H 1 6.920 0.030 . 2 . . . . 88 GLN HE22 . 11106 1 1034 . 1 1 88 88 GLN HG2 H 1 2.533 0.030 . 1 . . . . 88 GLN HG2 . 11106 1 1035 . 1 1 88 88 GLN HG3 H 1 2.533 0.030 . 1 . . . . 88 GLN HG3 . 11106 1 1036 . 1 1 88 88 GLN C C 13 176.694 0.300 . 1 . . . . 88 GLN C . 11106 1 1037 . 1 1 88 88 GLN CA C 13 54.948 0.300 . 1 . . . . 88 GLN CA . 11106 1 1038 . 1 1 88 88 GLN CB C 13 30.737 0.300 . 1 . . . . 88 GLN CB . 11106 1 1039 . 1 1 88 88 GLN CG C 13 34.254 0.300 . 1 . . . . 88 GLN CG . 11106 1 1040 . 1 1 88 88 GLN N N 15 118.678 0.300 . 1 . . . . 88 GLN N . 11106 1 1041 . 1 1 88 88 GLN NE2 N 15 112.678 0.300 . 1 . . . . 88 GLN NE2 . 11106 1 1042 . 1 1 89 89 SER H H 1 8.719 0.030 . 1 . . . . 89 SER H . 11106 1 1043 . 1 1 89 89 SER HA H 1 5.164 0.030 . 1 . . . . 89 SER HA . 11106 1 1044 . 1 1 89 89 SER HB2 H 1 4.243 0.030 . 2 . . . . 89 SER HB2 . 11106 1 1045 . 1 1 89 89 SER HB3 H 1 4.165 0.030 . 2 . . . . 89 SER HB3 . 11106 1 1046 . 1 1 89 89 SER C C 13 176.822 0.300 . 1 . . . . 89 SER C . 11106 1 1047 . 1 1 89 89 SER CA C 13 59.130 0.300 . 1 . . . . 89 SER CA . 11106 1 1048 . 1 1 89 89 SER CB C 13 64.510 0.300 . 1 . . . . 89 SER CB . 11106 1 1049 . 1 1 89 89 SER N N 15 119.852 0.300 . 1 . . . . 89 SER N . 11106 1 1050 . 1 1 90 90 GLY H H 1 7.900 0.030 . 1 . . . . 90 GLY H . 11106 1 1051 . 1 1 90 90 GLY HA2 H 1 3.839 0.030 . 2 . . . . 90 GLY HA2 . 11106 1 1052 . 1 1 90 90 GLY HA3 H 1 3.747 0.030 . 2 . . . . 90 GLY HA3 . 11106 1 1053 . 1 1 90 90 GLY C C 13 174.499 0.300 . 1 . . . . 90 GLY C . 11106 1 1054 . 1 1 90 90 GLY CA C 13 47.684 0.300 . 1 . . . . 90 GLY CA . 11106 1 1055 . 1 1 90 90 GLY N N 15 115.862 0.300 . 1 . . . . 90 GLY N . 11106 1 1056 . 1 1 91 91 THR H H 1 8.293 0.030 . 1 . . . . 91 THR H . 11106 1 1057 . 1 1 91 91 THR HA H 1 4.409 0.030 . 1 . . . . 91 THR HA . 11106 1 1058 . 1 1 91 91 THR HB H 1 3.826 0.030 . 1 . . . . 91 THR HB . 11106 1 1059 . 1 1 91 91 THR HG21 H 1 0.830 0.030 . 1 . . . . 91 THR HG2 . 11106 1 1060 . 1 1 91 91 THR HG22 H 1 0.830 0.030 . 1 . . . . 91 THR HG2 . 11106 1 1061 . 1 1 91 91 THR HG23 H 1 0.830 0.030 . 1 . . . . 91 THR HG2 . 11106 1 1062 . 1 1 91 91 THR C C 13 171.275 0.300 . 1 . . . . 91 THR C . 11106 1 1063 . 1 1 91 91 THR CA C 13 63.395 0.300 . 1 . . . . 91 THR CA . 11106 1 1064 . 1 1 91 91 THR CB C 13 72.053 0.300 . 1 . . . . 91 THR CB . 11106 1 1065 . 1 1 91 91 THR CG2 C 13 20.931 0.300 . 1 . . . . 91 THR CG2 . 11106 1 1066 . 1 1 91 91 THR N N 15 115.901 0.300 . 1 . . . . 91 THR N . 11106 1 1067 . 1 1 92 92 ARG H H 1 8.491 0.030 . 1 . . . . 92 ARG H . 11106 1 1068 . 1 1 92 92 ARG HA H 1 4.871 0.030 . 1 . . . . 92 ARG HA . 11106 1 1069 . 1 1 92 92 ARG HB2 H 1 2.063 0.030 . 2 . . . . 92 ARG HB2 . 11106 1 1070 . 1 1 92 92 ARG HB3 H 1 1.755 0.030 . 2 . . . . 92 ARG HB3 . 11106 1 1071 . 1 1 92 92 ARG HD2 H 1 3.207 0.030 . 2 . . . . 92 ARG HD2 . 11106 1 1072 . 1 1 92 92 ARG HD3 H 1 3.089 0.030 . 2 . . . . 92 ARG HD3 . 11106 1 1073 . 1 1 92 92 ARG HG2 H 1 1.612 0.030 . 2 . . . . 92 ARG HG2 . 11106 1 1074 . 1 1 92 92 ARG HG3 H 1 1.807 0.030 . 2 . . . . 92 ARG HG3 . 11106 1 1075 . 1 1 92 92 ARG C C 13 174.099 0.300 . 1 . . . . 92 ARG C . 11106 1 1076 . 1 1 92 92 ARG CA C 13 55.722 0.300 . 1 . . . . 92 ARG CA . 11106 1 1077 . 1 1 92 92 ARG CB C 13 32.049 0.300 . 1 . . . . 92 ARG CB . 11106 1 1078 . 1 1 92 92 ARG CD C 13 43.991 0.300 . 1 . . . . 92 ARG CD . 11106 1 1079 . 1 1 92 92 ARG CG C 13 27.528 0.300 . 1 . . . . 92 ARG CG . 11106 1 1080 . 1 1 92 92 ARG N N 15 125.281 0.300 . 1 . . . . 92 ARG N . 11106 1 1081 . 1 1 93 93 TYR H H 1 9.262 0.030 . 1 . . . . 93 TYR H . 11106 1 1082 . 1 1 93 93 TYR HA H 1 4.955 0.030 . 1 . . . . 93 TYR HA . 11106 1 1083 . 1 1 93 93 TYR HB2 H 1 2.616 0.030 . 2 . . . . 93 TYR HB2 . 11106 1 1084 . 1 1 93 93 TYR HB3 H 1 2.426 0.030 . 2 . . . . 93 TYR HB3 . 11106 1 1085 . 1 1 93 93 TYR HD1 H 1 6.853 0.030 . 1 . . . . 93 TYR HD1 . 11106 1 1086 . 1 1 93 93 TYR HD2 H 1 6.853 0.030 . 1 . . . . 93 TYR HD2 . 11106 1 1087 . 1 1 93 93 TYR HE1 H 1 6.790 0.030 . 1 . . . . 93 TYR HE1 . 11106 1 1088 . 1 1 93 93 TYR HE2 H 1 6.790 0.030 . 1 . . . . 93 TYR HE2 . 11106 1 1089 . 1 1 93 93 TYR C C 13 174.073 0.300 . 1 . . . . 93 TYR C . 11106 1 1090 . 1 1 93 93 TYR CA C 13 57.606 0.300 . 1 . . . . 93 TYR CA . 11106 1 1091 . 1 1 93 93 TYR CB C 13 44.600 0.300 . 1 . . . . 93 TYR CB . 11106 1 1092 . 1 1 93 93 TYR CE1 C 13 118.576 0.300 . 1 . . . . 93 TYR CE1 . 11106 1 1093 . 1 1 93 93 TYR CE2 C 13 118.576 0.300 . 1 . . . . 93 TYR CE2 . 11106 1 1094 . 1 1 93 93 TYR N N 15 122.600 0.300 . 1 . . . . 93 TYR N . 11106 1 1095 . 1 1 94 94 ILE H H 1 8.880 0.030 . 1 . . . . 94 ILE H . 11106 1 1096 . 1 1 94 94 ILE HA H 1 4.956 0.030 . 1 . . . . 94 ILE HA . 11106 1 1097 . 1 1 94 94 ILE HB H 1 1.454 0.030 . 1 . . . . 94 ILE HB . 11106 1 1098 . 1 1 94 94 ILE HD11 H 1 0.740 0.030 . 1 . . . . 94 ILE HD1 . 11106 1 1099 . 1 1 94 94 ILE HD12 H 1 0.740 0.030 . 1 . . . . 94 ILE HD1 . 11106 1 1100 . 1 1 94 94 ILE HD13 H 1 0.740 0.030 . 1 . . . . 94 ILE HD1 . 11106 1 1101 . 1 1 94 94 ILE HG12 H 1 1.037 0.030 . 2 . . . . 94 ILE HG12 . 11106 1 1102 . 1 1 94 94 ILE HG13 H 1 1.428 0.030 . 2 . . . . 94 ILE HG13 . 11106 1 1103 . 1 1 94 94 ILE HG21 H 1 0.923 0.030 . 1 . . . . 94 ILE HG2 . 11106 1 1104 . 1 1 94 94 ILE HG22 H 1 0.923 0.030 . 1 . . . . 94 ILE HG2 . 11106 1 1105 . 1 1 94 94 ILE HG23 H 1 0.923 0.030 . 1 . . . . 94 ILE HG2 . 11106 1 1106 . 1 1 94 94 ILE C C 13 173.222 0.300 . 1 . . . . 94 ILE C . 11106 1 1107 . 1 1 94 94 ILE CA C 13 59.273 0.300 . 1 . . . . 94 ILE CA . 11106 1 1108 . 1 1 94 94 ILE CB C 13 40.997 0.300 . 1 . . . . 94 ILE CB . 11106 1 1109 . 1 1 94 94 ILE CD1 C 13 14.092 0.300 . 1 . . . . 94 ILE CD1 . 11106 1 1110 . 1 1 94 94 ILE CG1 C 13 28.492 0.300 . 1 . . . . 94 ILE CG1 . 11106 1 1111 . 1 1 94 94 ILE CG2 C 13 17.693 0.300 . 1 . . . . 94 ILE CG2 . 11106 1 1112 . 1 1 94 94 ILE N N 15 119.737 0.300 . 1 . . . . 94 ILE N . 11106 1 1113 . 1 1 95 95 PHE H H 1 8.880 0.030 . 1 . . . . 95 PHE H . 11106 1 1114 . 1 1 95 95 PHE HA H 1 5.647 0.030 . 1 . . . . 95 PHE HA . 11106 1 1115 . 1 1 95 95 PHE HB2 H 1 2.889 0.030 . 2 . . . . 95 PHE HB2 . 11106 1 1116 . 1 1 95 95 PHE HB3 H 1 2.756 0.030 . 2 . . . . 95 PHE HB3 . 11106 1 1117 . 1 1 95 95 PHE HD1 H 1 7.160 0.030 . 1 . . . . 95 PHE HD1 . 11106 1 1118 . 1 1 95 95 PHE HD2 H 1 7.160 0.030 . 1 . . . . 95 PHE HD2 . 11106 1 1119 . 1 1 95 95 PHE HE1 H 1 6.845 0.030 . 1 . . . . 95 PHE HE1 . 11106 1 1120 . 1 1 95 95 PHE HE2 H 1 6.845 0.030 . 1 . . . . 95 PHE HE2 . 11106 1 1121 . 1 1 95 95 PHE HZ H 1 6.403 0.030 . 1 . . . . 95 PHE HZ . 11106 1 1122 . 1 1 95 95 PHE C C 13 175.204 0.300 . 1 . . . . 95 PHE C . 11106 1 1123 . 1 1 95 95 PHE CA C 13 57.139 0.300 . 1 . . . . 95 PHE CA . 11106 1 1124 . 1 1 95 95 PHE CB C 13 43.823 0.300 . 1 . . . . 95 PHE CB . 11106 1 1125 . 1 1 95 95 PHE CD1 C 13 132.001 0.300 . 1 . . . . 95 PHE CD1 . 11106 1 1126 . 1 1 95 95 PHE CD2 C 13 132.001 0.300 . 1 . . . . 95 PHE CD2 . 11106 1 1127 . 1 1 95 95 PHE CE1 C 13 131.323 0.300 . 1 . . . . 95 PHE CE1 . 11106 1 1128 . 1 1 95 95 PHE CE2 C 13 131.323 0.300 . 1 . . . . 95 PHE CE2 . 11106 1 1129 . 1 1 95 95 PHE CZ C 13 127.634 0.300 . 1 . . . . 95 PHE CZ . 11106 1 1130 . 1 1 95 95 PHE N N 15 121.905 0.300 . 1 . . . . 95 PHE N . 11106 1 1131 . 1 1 96 96 ILE H H 1 9.283 0.030 . 1 . . . . 96 ILE H . 11106 1 1132 . 1 1 96 96 ILE HA H 1 3.899 0.030 . 1 . . . . 96 ILE HA . 11106 1 1133 . 1 1 96 96 ILE HB H 1 1.431 0.030 . 1 . . . . 96 ILE HB . 11106 1 1134 . 1 1 96 96 ILE HD11 H 1 0.654 0.030 . 1 . . . . 96 ILE HD1 . 11106 1 1135 . 1 1 96 96 ILE HD12 H 1 0.654 0.030 . 1 . . . . 96 ILE HD1 . 11106 1 1136 . 1 1 96 96 ILE HD13 H 1 0.654 0.030 . 1 . . . . 96 ILE HD1 . 11106 1 1137 . 1 1 96 96 ILE HG12 H 1 0.786 0.030 . 2 . . . . 96 ILE HG12 . 11106 1 1138 . 1 1 96 96 ILE HG13 H 1 1.592 0.030 . 2 . . . . 96 ILE HG13 . 11106 1 1139 . 1 1 96 96 ILE HG21 H 1 0.688 0.030 . 1 . . . . 96 ILE HG2 . 11106 1 1140 . 1 1 96 96 ILE HG22 H 1 0.688 0.030 . 1 . . . . 96 ILE HG2 . 11106 1 1141 . 1 1 96 96 ILE HG23 H 1 0.688 0.030 . 1 . . . . 96 ILE HG2 . 11106 1 1142 . 1 1 96 96 ILE C C 13 174.259 0.300 . 1 . . . . 96 ILE C . 11106 1 1143 . 1 1 96 96 ILE CA C 13 61.295 0.300 . 1 . . . . 96 ILE CA . 11106 1 1144 . 1 1 96 96 ILE CB C 13 43.598 0.300 . 1 . . . . 96 ILE CB . 11106 1 1145 . 1 1 96 96 ILE CD1 C 13 14.678 0.300 . 1 . . . . 96 ILE CD1 . 11106 1 1146 . 1 1 96 96 ILE CG1 C 13 28.712 0.300 . 1 . . . . 96 ILE CG1 . 11106 1 1147 . 1 1 96 96 ILE CG2 C 13 17.159 0.300 . 1 . . . . 96 ILE CG2 . 11106 1 1148 . 1 1 96 96 ILE N N 15 119.403 0.300 . 1 . . . . 96 ILE N . 11106 1 1149 . 1 1 97 97 VAL H H 1 8.348 0.030 . 1 . . . . 97 VAL H . 11106 1 1150 . 1 1 97 97 VAL HA H 1 4.468 0.030 . 1 . . . . 97 VAL HA . 11106 1 1151 . 1 1 97 97 VAL HB H 1 1.026 0.030 . 1 . . . . 97 VAL HB . 11106 1 1152 . 1 1 97 97 VAL HG11 H 1 -0.335 0.030 . 1 . . . . 97 VAL HG1 . 11106 1 1153 . 1 1 97 97 VAL HG12 H 1 -0.335 0.030 . 1 . . . . 97 VAL HG1 . 11106 1 1154 . 1 1 97 97 VAL HG13 H 1 -0.335 0.030 . 1 . . . . 97 VAL HG1 . 11106 1 1155 . 1 1 97 97 VAL HG21 H 1 -0.205 0.030 . 1 . . . . 97 VAL HG2 . 11106 1 1156 . 1 1 97 97 VAL HG22 H 1 -0.205 0.030 . 1 . . . . 97 VAL HG2 . 11106 1 1157 . 1 1 97 97 VAL HG23 H 1 -0.205 0.030 . 1 . . . . 97 VAL HG2 . 11106 1 1158 . 1 1 97 97 VAL C C 13 172.710 0.300 . 1 . . . . 97 VAL C . 11106 1 1159 . 1 1 97 97 VAL CA C 13 60.021 0.300 . 1 . . . . 97 VAL CA . 11106 1 1160 . 1 1 97 97 VAL CB C 13 33.952 0.300 . 1 . . . . 97 VAL CB . 11106 1 1161 . 1 1 97 97 VAL CG1 C 13 19.313 0.300 . 2 . . . . 97 VAL CG1 . 11106 1 1162 . 1 1 97 97 VAL CG2 C 13 20.750 0.300 . 2 . . . . 97 VAL CG2 . 11106 1 1163 . 1 1 97 97 VAL N N 15 125.946 0.300 . 1 . . . . 97 VAL N . 11106 1 1164 . 1 1 98 98 LYS H H 1 9.252 0.030 . 1 . . . . 98 LYS H . 11106 1 1165 . 1 1 98 98 LYS HA H 1 5.061 0.030 . 1 . . . . 98 LYS HA . 11106 1 1166 . 1 1 98 98 LYS HB2 H 1 1.676 0.030 . 1 . . . . 98 LYS HB2 . 11106 1 1167 . 1 1 98 98 LYS HB3 H 1 1.676 0.030 . 1 . . . . 98 LYS HB3 . 11106 1 1168 . 1 1 98 98 LYS HD2 H 1 1.547 0.030 . 2 . . . . 98 LYS HD2 . 11106 1 1169 . 1 1 98 98 LYS HD3 H 1 1.389 0.030 . 2 . . . . 98 LYS HD3 . 11106 1 1170 . 1 1 98 98 LYS HE2 H 1 2.757 0.030 . 2 . . . . 98 LYS HE2 . 11106 1 1171 . 1 1 98 98 LYS HE3 H 1 2.702 0.030 . 2 . . . . 98 LYS HE3 . 11106 1 1172 . 1 1 98 98 LYS HG2 H 1 1.034 0.030 . 2 . . . . 98 LYS HG2 . 11106 1 1173 . 1 1 98 98 LYS HG3 H 1 1.194 0.030 . 2 . . . . 98 LYS HG3 . 11106 1 1174 . 1 1 98 98 LYS C C 13 175.600 0.300 . 1 . . . . 98 LYS C . 11106 1 1175 . 1 1 98 98 LYS CA C 13 54.276 0.300 . 1 . . . . 98 LYS CA . 11106 1 1176 . 1 1 98 98 LYS CB C 13 35.613 0.300 . 1 . . . . 98 LYS CB . 11106 1 1177 . 1 1 98 98 LYS CD C 13 29.460 0.300 . 1 . . . . 98 LYS CD . 11106 1 1178 . 1 1 98 98 LYS CE C 13 41.233 0.300 . 1 . . . . 98 LYS CE . 11106 1 1179 . 1 1 98 98 LYS CG C 13 24.153 0.300 . 1 . . . . 98 LYS CG . 11106 1 1180 . 1 1 98 98 LYS N N 15 130.286 0.300 . 1 . . . . 98 LYS N . 11106 1 1181 . 1 1 99 99 ALA H H 1 8.871 0.030 . 1 . . . . 99 ALA H . 11106 1 1182 . 1 1 99 99 ALA HA H 1 4.727 0.030 . 1 . . . . 99 ALA HA . 11106 1 1183 . 1 1 99 99 ALA HB1 H 1 1.398 0.030 . 1 . . . . 99 ALA HB . 11106 1 1184 . 1 1 99 99 ALA HB2 H 1 1.398 0.030 . 1 . . . . 99 ALA HB . 11106 1 1185 . 1 1 99 99 ALA HB3 H 1 1.398 0.030 . 1 . . . . 99 ALA HB . 11106 1 1186 . 1 1 99 99 ALA C C 13 176.198 0.300 . 1 . . . . 99 ALA C . 11106 1 1187 . 1 1 99 99 ALA CA C 13 51.067 0.300 . 1 . . . . 99 ALA CA . 11106 1 1188 . 1 1 99 99 ALA CB C 13 21.958 0.300 . 1 . . . . 99 ALA CB . 11106 1 1189 . 1 1 99 99 ALA N N 15 128.342 0.300 . 1 . . . . 99 ALA N . 11106 1 1190 . 1 1 100 100 ILE H H 1 8.320 0.030 . 1 . . . . 100 ILE H . 11106 1 1191 . 1 1 100 100 ILE HA H 1 4.450 0.030 . 1 . . . . 100 ILE HA . 11106 1 1192 . 1 1 100 100 ILE HB H 1 1.644 0.030 . 1 . . . . 100 ILE HB . 11106 1 1193 . 1 1 100 100 ILE HD11 H 1 0.643 0.030 . 1 . . . . 100 ILE HD1 . 11106 1 1194 . 1 1 100 100 ILE HD12 H 1 0.643 0.030 . 1 . . . . 100 ILE HD1 . 11106 1 1195 . 1 1 100 100 ILE HD13 H 1 0.643 0.030 . 1 . . . . 100 ILE HD1 . 11106 1 1196 . 1 1 100 100 ILE HG12 H 1 1.242 0.030 . 2 . . . . 100 ILE HG12 . 11106 1 1197 . 1 1 100 100 ILE HG13 H 1 0.781 0.030 . 2 . . . . 100 ILE HG13 . 11106 1 1198 . 1 1 100 100 ILE HG21 H 1 0.723 0.030 . 1 . . . . 100 ILE HG2 . 11106 1 1199 . 1 1 100 100 ILE HG22 H 1 0.723 0.030 . 1 . . . . 100 ILE HG2 . 11106 1 1200 . 1 1 100 100 ILE HG23 H 1 0.723 0.030 . 1 . . . . 100 ILE HG2 . 11106 1 1201 . 1 1 100 100 ILE C C 13 175.775 0.300 . 1 . . . . 100 ILE C . 11106 1 1202 . 1 1 100 100 ILE CA C 13 61.378 0.300 . 1 . . . . 100 ILE CA . 11106 1 1203 . 1 1 100 100 ILE CB C 13 41.028 0.300 . 1 . . . . 100 ILE CB . 11106 1 1204 . 1 1 100 100 ILE CD1 C 13 14.794 0.300 . 1 . . . . 100 ILE CD1 . 11106 1 1205 . 1 1 100 100 ILE CG1 C 13 28.308 0.300 . 1 . . . . 100 ILE CG1 . 11106 1 1206 . 1 1 100 100 ILE CG2 C 13 18.057 0.300 . 1 . . . . 100 ILE CG2 . 11106 1 1207 . 1 1 100 100 ILE N N 15 121.479 0.300 . 1 . . . . 100 ILE N . 11106 1 1208 . 1 1 101 101 ASN H H 1 8.965 0.030 . 1 . . . . 101 ASN H . 11106 1 1209 . 1 1 101 101 ASN HA H 1 4.776 0.030 . 1 . . . . 101 ASN HA . 11106 1 1210 . 1 1 101 101 ASN HB2 H 1 3.196 0.030 . 2 . . . . 101 ASN HB2 . 11106 1 1211 . 1 1 101 101 ASN HB3 H 1 3.400 0.030 . 2 . . . . 101 ASN HB3 . 11106 1 1212 . 1 1 101 101 ASN HD21 H 1 7.440 0.030 . 2 . . . . 101 ASN HD21 . 11106 1 1213 . 1 1 101 101 ASN HD22 H 1 7.343 0.030 . 2 . . . . 101 ASN HD22 . 11106 1 1214 . 1 1 101 101 ASN C C 13 175.583 0.300 . 1 . . . . 101 ASN C . 11106 1 1215 . 1 1 101 101 ASN CA C 13 51.994 0.300 . 1 . . . . 101 ASN CA . 11106 1 1216 . 1 1 101 101 ASN CB C 13 39.999 0.300 . 1 . . . . 101 ASN CB . 11106 1 1217 . 1 1 101 101 ASN N N 15 123.719 0.300 . 1 . . . . 101 ASN N . 11106 1 1218 . 1 1 101 101 ASN ND2 N 15 108.779 0.300 . 1 . . . . 101 ASN ND2 . 11106 1 1219 . 1 1 102 102 GLN H H 1 8.585 0.030 . 1 . . . . 102 GLN H . 11106 1 1220 . 1 1 102 102 GLN HA H 1 3.992 0.030 . 1 . . . . 102 GLN HA . 11106 1 1221 . 1 1 102 102 GLN HB2 H 1 2.010 0.030 . 1 . . . . 102 GLN HB2 . 11106 1 1222 . 1 1 102 102 GLN HB3 H 1 2.010 0.030 . 1 . . . . 102 GLN HB3 . 11106 1 1223 . 1 1 102 102 GLN HG2 H 1 2.387 0.030 . 2 . . . . 102 GLN HG2 . 11106 1 1224 . 1 1 102 102 GLN C C 13 176.258 0.300 . 1 . . . . 102 GLN C . 11106 1 1225 . 1 1 102 102 GLN CA C 13 58.579 0.300 . 1 . . . . 102 GLN CA . 11106 1 1226 . 1 1 102 102 GLN CB C 13 28.609 0.300 . 1 . . . . 102 GLN CB . 11106 1 1227 . 1 1 102 102 GLN CG C 13 34.061 0.300 . 1 . . . . 102 GLN CG . 11106 1 1228 . 1 1 102 102 GLN N N 15 114.907 0.300 . 1 . . . . 102 GLN N . 11106 1 1229 . 1 1 103 103 ALA H H 1 8.081 0.030 . 1 . . . . 103 ALA H . 11106 1 1230 . 1 1 103 103 ALA HA H 1 4.372 0.030 . 1 . . . . 103 ALA HA . 11106 1 1231 . 1 1 103 103 ALA HB1 H 1 1.174 0.030 . 1 . . . . 103 ALA HB . 11106 1 1232 . 1 1 103 103 ALA HB2 H 1 1.174 0.030 . 1 . . . . 103 ALA HB . 11106 1 1233 . 1 1 103 103 ALA HB3 H 1 1.174 0.030 . 1 . . . . 103 ALA HB . 11106 1 1234 . 1 1 103 103 ALA C C 13 177.696 0.300 . 1 . . . . 103 ALA C . 11106 1 1235 . 1 1 103 103 ALA CA C 13 52.266 0.300 . 1 . . . . 103 ALA CA . 11106 1 1236 . 1 1 103 103 ALA CB C 13 19.707 0.300 . 1 . . . . 103 ALA CB . 11106 1 1237 . 1 1 103 103 ALA N N 15 119.957 0.300 . 1 . . . . 103 ALA N . 11106 1 1238 . 1 1 104 104 GLY H H 1 7.758 0.030 . 1 . . . . 104 GLY H . 11106 1 1239 . 1 1 104 104 GLY HA2 H 1 4.361 0.030 . 2 . . . . 104 GLY HA2 . 11106 1 1240 . 1 1 104 104 GLY HA3 H 1 3.885 0.030 . 2 . . . . 104 GLY HA3 . 11106 1 1241 . 1 1 104 104 GLY C C 13 169.698 0.300 . 1 . . . . 104 GLY C . 11106 1 1242 . 1 1 104 104 GLY CA C 13 45.555 0.300 . 1 . . . . 104 GLY CA . 11106 1 1243 . 1 1 104 104 GLY N N 15 106.237 0.300 . 1 . . . . 104 GLY N . 11106 1 1244 . 1 1 105 105 SER H H 1 8.295 0.030 . 1 . . . . 105 SER H . 11106 1 1245 . 1 1 105 105 SER HA H 1 5.618 0.030 . 1 . . . . 105 SER HA . 11106 1 1246 . 1 1 105 105 SER HB2 H 1 3.724 0.030 . 2 . . . . 105 SER HB2 . 11106 1 1247 . 1 1 105 105 SER HB3 H 1 3.569 0.030 . 2 . . . . 105 SER HB3 . 11106 1 1248 . 1 1 105 105 SER C C 13 173.430 0.300 . 1 . . . . 105 SER C . 11106 1 1249 . 1 1 105 105 SER CA C 13 56.150 0.300 . 1 . . . . 105 SER CA . 11106 1 1250 . 1 1 105 105 SER CB C 13 67.316 0.300 . 1 . . . . 105 SER CB . 11106 1 1251 . 1 1 105 105 SER N N 15 111.805 0.300 . 1 . . . . 105 SER N . 11106 1 1252 . 1 1 106 106 ARG H H 1 8.649 0.030 . 1 . . . . 106 ARG H . 11106 1 1253 . 1 1 106 106 ARG HA H 1 4.487 0.030 . 1 . . . . 106 ARG HA . 11106 1 1254 . 1 1 106 106 ARG HB2 H 1 1.580 0.030 . 2 . . . . 106 ARG HB2 . 11106 1 1255 . 1 1 106 106 ARG HB3 H 1 1.515 0.030 . 2 . . . . 106 ARG HB3 . 11106 1 1256 . 1 1 106 106 ARG HD2 H 1 3.463 0.030 . 2 . . . . 106 ARG HD2 . 11106 1 1257 . 1 1 106 106 ARG HD3 H 1 3.313 0.030 . 2 . . . . 106 ARG HD3 . 11106 1 1258 . 1 1 106 106 ARG HG2 H 1 1.619 0.030 . 2 . . . . 106 ARG HG2 . 11106 1 1259 . 1 1 106 106 ARG HG3 H 1 1.467 0.030 . 2 . . . . 106 ARG HG3 . 11106 1 1260 . 1 1 106 106 ARG C C 13 174.321 0.300 . 1 . . . . 106 ARG C . 11106 1 1261 . 1 1 106 106 ARG CA C 13 54.705 0.300 . 1 . . . . 106 ARG CA . 11106 1 1262 . 1 1 106 106 ARG CB C 13 35.639 0.300 . 1 . . . . 106 ARG CB . 11106 1 1263 . 1 1 106 106 ARG CD C 13 42.728 0.300 . 1 . . . . 106 ARG CD . 11106 1 1264 . 1 1 106 106 ARG CG C 13 27.705 0.300 . 1 . . . . 106 ARG CG . 11106 1 1265 . 1 1 106 106 ARG N N 15 120.178 0.300 . 1 . . . . 106 ARG N . 11106 1 1266 . 1 1 107 107 ASN H H 1 8.705 0.030 . 1 . . . . 107 ASN H . 11106 1 1267 . 1 1 107 107 ASN HA H 1 5.240 0.030 . 1 . . . . 107 ASN HA . 11106 1 1268 . 1 1 107 107 ASN HB2 H 1 2.731 0.030 . 2 . . . . 107 ASN HB2 . 11106 1 1269 . 1 1 107 107 ASN HB3 H 1 2.660 0.030 . 2 . . . . 107 ASN HB3 . 11106 1 1270 . 1 1 107 107 ASN HD21 H 1 7.292 0.030 . 2 . . . . 107 ASN HD21 . 11106 1 1271 . 1 1 107 107 ASN HD22 H 1 6.634 0.030 . 2 . . . . 107 ASN HD22 . 11106 1 1272 . 1 1 107 107 ASN C C 13 176.258 0.300 . 1 . . . . 107 ASN C . 11106 1 1273 . 1 1 107 107 ASN CA C 13 52.398 0.300 . 1 . . . . 107 ASN CA . 11106 1 1274 . 1 1 107 107 ASN CB C 13 40.049 0.300 . 1 . . . . 107 ASN CB . 11106 1 1275 . 1 1 107 107 ASN N N 15 124.558 0.300 . 1 . . . . 107 ASN N . 11106 1 1276 . 1 1 107 107 ASN ND2 N 15 109.361 0.300 . 1 . . . . 107 ASN ND2 . 11106 1 1277 . 1 1 108 108 SER H H 1 9.028 0.030 . 1 . . . . 108 SER H . 11106 1 1278 . 1 1 108 108 SER HA H 1 4.580 0.030 . 1 . . . . 108 SER HA . 11106 1 1279 . 1 1 108 108 SER HB2 H 1 3.748 0.030 . 2 . . . . 108 SER HB2 . 11106 1 1280 . 1 1 108 108 SER HB3 H 1 4.488 0.030 . 2 . . . . 108 SER HB3 . 11106 1 1281 . 1 1 108 108 SER C C 13 174.376 0.300 . 1 . . . . 108 SER C . 11106 1 1282 . 1 1 108 108 SER CA C 13 58.253 0.300 . 1 . . . . 108 SER CA . 11106 1 1283 . 1 1 108 108 SER CB C 13 66.861 0.300 . 1 . . . . 108 SER CB . 11106 1 1284 . 1 1 108 108 SER N N 15 116.361 0.300 . 1 . . . . 108 SER N . 11106 1 1285 . 1 1 109 109 GLU H H 1 8.735 0.030 . 1 . . . . 109 GLU H . 11106 1 1286 . 1 1 109 109 GLU HA H 1 4.577 0.030 . 1 . . . . 109 GLU HA . 11106 1 1287 . 1 1 109 109 GLU HB2 H 1 1.932 0.030 . 2 . . . . 109 GLU HB2 . 11106 1 1288 . 1 1 109 109 GLU HB3 H 1 2.178 0.030 . 2 . . . . 109 GLU HB3 . 11106 1 1289 . 1 1 109 109 GLU HG2 H 1 2.525 0.030 . 2 . . . . 109 GLU HG2 . 11106 1 1290 . 1 1 109 109 GLU HG3 H 1 2.444 0.030 . 2 . . . . 109 GLU HG3 . 11106 1 1291 . 1 1 109 109 GLU C C 13 176.707 0.300 . 1 . . . . 109 GLU C . 11106 1 1292 . 1 1 109 109 GLU CA C 13 55.490 0.300 . 1 . . . . 109 GLU CA . 11106 1 1293 . 1 1 109 109 GLU CB C 13 29.008 0.300 . 1 . . . . 109 GLU CB . 11106 1 1294 . 1 1 109 109 GLU CG C 13 36.189 0.300 . 1 . . . . 109 GLU CG . 11106 1 1295 . 1 1 109 109 GLU N N 15 119.215 0.300 . 1 . . . . 109 GLU N . 11106 1 1296 . 1 1 110 110 PRO HA H 1 5.143 0.030 . 1 . . . . 110 PRO HA . 11106 1 1297 . 1 1 110 110 PRO HB2 H 1 1.986 0.030 . 2 . . . . 110 PRO HB2 . 11106 1 1298 . 1 1 110 110 PRO HB3 H 1 1.773 0.030 . 2 . . . . 110 PRO HB3 . 11106 1 1299 . 1 1 110 110 PRO HD2 H 1 3.775 0.030 . 1 . . . . 110 PRO HD2 . 11106 1 1300 . 1 1 110 110 PRO HD3 H 1 3.775 0.030 . 1 . . . . 110 PRO HD3 . 11106 1 1301 . 1 1 110 110 PRO HG2 H 1 1.757 0.030 . 2 . . . . 110 PRO HG2 . 11106 1 1302 . 1 1 110 110 PRO HG3 H 1 2.045 0.030 . 2 . . . . 110 PRO HG3 . 11106 1 1303 . 1 1 110 110 PRO C C 13 177.438 0.300 . 1 . . . . 110 PRO C . 11106 1 1304 . 1 1 110 110 PRO CA C 13 62.548 0.300 . 1 . . . . 110 PRO CA . 11106 1 1305 . 1 1 110 110 PRO CB C 13 32.489 0.300 . 1 . . . . 110 PRO CB . 11106 1 1306 . 1 1 110 110 PRO CD C 13 50.424 0.300 . 1 . . . . 110 PRO CD . 11106 1 1307 . 1 1 110 110 PRO CG C 13 27.483 0.300 . 1 . . . . 110 PRO CG . 11106 1 1308 . 1 1 111 111 THR H H 1 9.105 0.030 . 1 . . . . 111 THR H . 11106 1 1309 . 1 1 111 111 THR HA H 1 4.685 0.030 . 1 . . . . 111 THR HA . 11106 1 1310 . 1 1 111 111 THR HB H 1 3.861 0.030 . 1 . . . . 111 THR HB . 11106 1 1311 . 1 1 111 111 THR HG21 H 1 1.247 0.030 . 1 . . . . 111 THR HG2 . 11106 1 1312 . 1 1 111 111 THR HG22 H 1 1.247 0.030 . 1 . . . . 111 THR HG2 . 11106 1 1313 . 1 1 111 111 THR HG23 H 1 1.247 0.030 . 1 . . . . 111 THR HG2 . 11106 1 1314 . 1 1 111 111 THR C C 13 172.720 0.300 . 1 . . . . 111 THR C . 11106 1 1315 . 1 1 111 111 THR CA C 13 62.555 0.300 . 1 . . . . 111 THR CA . 11106 1 1316 . 1 1 111 111 THR CB C 13 72.103 0.300 . 1 . . . . 111 THR CB . 11106 1 1317 . 1 1 111 111 THR CG2 C 13 21.122 0.300 . 1 . . . . 111 THR CG2 . 11106 1 1318 . 1 1 111 111 THR N N 15 119.068 0.300 . 1 . . . . 111 THR N . 11106 1 1319 . 1 1 112 112 ARG H H 1 8.783 0.030 . 1 . . . . 112 ARG H . 11106 1 1320 . 1 1 112 112 ARG HA H 1 5.416 0.030 . 1 . . . . 112 ARG HA . 11106 1 1321 . 1 1 112 112 ARG HB2 H 1 1.615 0.030 . 1 . . . . 112 ARG HB2 . 11106 1 1322 . 1 1 112 112 ARG HB3 H 1 1.615 0.030 . 1 . . . . 112 ARG HB3 . 11106 1 1323 . 1 1 112 112 ARG HD2 H 1 2.566 0.030 . 2 . . . . 112 ARG HD2 . 11106 1 1324 . 1 1 112 112 ARG HD3 H 1 2.466 0.030 . 2 . . . . 112 ARG HD3 . 11106 1 1325 . 1 1 112 112 ARG HG2 H 1 1.350 0.030 . 2 . . . . 112 ARG HG2 . 11106 1 1326 . 1 1 112 112 ARG HG3 H 1 1.070 0.030 . 2 . . . . 112 ARG HG3 . 11106 1 1327 . 1 1 112 112 ARG C C 13 175.228 0.300 . 1 . . . . 112 ARG C . 11106 1 1328 . 1 1 112 112 ARG CA C 13 55.042 0.300 . 1 . . . . 112 ARG CA . 11106 1 1329 . 1 1 112 112 ARG CB C 13 31.212 0.300 . 1 . . . . 112 ARG CB . 11106 1 1330 . 1 1 112 112 ARG CD C 13 43.375 0.300 . 1 . . . . 112 ARG CD . 11106 1 1331 . 1 1 112 112 ARG CG C 13 26.921 0.300 . 1 . . . . 112 ARG CG . 11106 1 1332 . 1 1 112 112 ARG N N 15 127.658 0.300 . 1 . . . . 112 ARG N . 11106 1 1333 . 1 1 113 113 LEU H H 1 9.136 0.030 . 1 . . . . 113 LEU H . 11106 1 1334 . 1 1 113 113 LEU HA H 1 4.881 0.030 . 1 . . . . 113 LEU HA . 11106 1 1335 . 1 1 113 113 LEU HB2 H 1 1.718 0.030 . 2 . . . . 113 LEU HB2 . 11106 1 1336 . 1 1 113 113 LEU HB3 H 1 1.626 0.030 . 2 . . . . 113 LEU HB3 . 11106 1 1337 . 1 1 113 113 LEU HD11 H 1 0.617 0.030 . 1 . . . . 113 LEU HD1 . 11106 1 1338 . 1 1 113 113 LEU HD12 H 1 0.617 0.030 . 1 . . . . 113 LEU HD1 . 11106 1 1339 . 1 1 113 113 LEU HD13 H 1 0.617 0.030 . 1 . . . . 113 LEU HD1 . 11106 1 1340 . 1 1 113 113 LEU HD21 H 1 1.001 0.030 . 1 . . . . 113 LEU HD2 . 11106 1 1341 . 1 1 113 113 LEU HD22 H 1 1.001 0.030 . 1 . . . . 113 LEU HD2 . 11106 1 1342 . 1 1 113 113 LEU HD23 H 1 1.001 0.030 . 1 . . . . 113 LEU HD2 . 11106 1 1343 . 1 1 113 113 LEU HG H 1 1.580 0.030 . 1 . . . . 113 LEU HG . 11106 1 1344 . 1 1 113 113 LEU C C 13 174.636 0.300 . 1 . . . . 113 LEU C . 11106 1 1345 . 1 1 113 113 LEU CA C 13 53.935 0.300 . 1 . . . . 113 LEU CA . 11106 1 1346 . 1 1 113 113 LEU CB C 13 47.052 0.300 . 1 . . . . 113 LEU CB . 11106 1 1347 . 1 1 113 113 LEU CD1 C 13 26.507 0.300 . 2 . . . . 113 LEU CD1 . 11106 1 1348 . 1 1 113 113 LEU CD2 C 13 23.190 0.300 . 2 . . . . 113 LEU CD2 . 11106 1 1349 . 1 1 113 113 LEU CG C 13 27.510 0.300 . 1 . . . . 113 LEU CG . 11106 1 1350 . 1 1 113 113 LEU N N 15 125.405 0.300 . 1 . . . . 113 LEU N . 11106 1 1351 . 1 1 114 114 LYS H H 1 8.429 0.030 . 1 . . . . 114 LYS H . 11106 1 1352 . 1 1 114 114 LYS HA H 1 5.669 0.030 . 1 . . . . 114 LYS HA . 11106 1 1353 . 1 1 114 114 LYS HB2 H 1 1.705 0.030 . 2 . . . . 114 LYS HB2 . 11106 1 1354 . 1 1 114 114 LYS HB3 H 1 1.641 0.030 . 2 . . . . 114 LYS HB3 . 11106 1 1355 . 1 1 114 114 LYS HD2 H 1 1.566 0.030 . 1 . . . . 114 LYS HD2 . 11106 1 1356 . 1 1 114 114 LYS HD3 H 1 1.566 0.030 . 1 . . . . 114 LYS HD3 . 11106 1 1357 . 1 1 114 114 LYS HE2 H 1 2.882 0.030 . 1 . . . . 114 LYS HE2 . 11106 1 1358 . 1 1 114 114 LYS HE3 H 1 2.882 0.030 . 1 . . . . 114 LYS HE3 . 11106 1 1359 . 1 1 114 114 LYS HG2 H 1 1.069 0.030 . 2 . . . . 114 LYS HG2 . 11106 1 1360 . 1 1 114 114 LYS HG3 H 1 1.650 0.030 . 2 . . . . 114 LYS HG3 . 11106 1 1361 . 1 1 114 114 LYS C C 13 176.859 0.300 . 1 . . . . 114 LYS C . 11106 1 1362 . 1 1 114 114 LYS CA C 13 54.609 0.300 . 1 . . . . 114 LYS CA . 11106 1 1363 . 1 1 114 114 LYS CB C 13 36.745 0.300 . 1 . . . . 114 LYS CB . 11106 1 1364 . 1 1 114 114 LYS CD C 13 29.552 0.300 . 1 . . . . 114 LYS CD . 11106 1 1365 . 1 1 114 114 LYS CE C 13 42.006 0.300 . 1 . . . . 114 LYS CE . 11106 1 1366 . 1 1 114 114 LYS CG C 13 23.644 0.300 . 1 . . . . 114 LYS CG . 11106 1 1367 . 1 1 114 114 LYS N N 15 120.204 0.300 . 1 . . . . 114 LYS N . 11106 1 1368 . 1 1 115 115 THR H H 1 8.850 0.030 . 1 . . . . 115 THR H . 11106 1 1369 . 1 1 115 115 THR HA H 1 4.429 0.030 . 1 . . . . 115 THR HA . 11106 1 1370 . 1 1 115 115 THR HB H 1 4.758 0.030 . 1 . . . . 115 THR HB . 11106 1 1371 . 1 1 115 115 THR HG21 H 1 1.127 0.030 . 1 . . . . 115 THR HG2 . 11106 1 1372 . 1 1 115 115 THR HG22 H 1 1.127 0.030 . 1 . . . . 115 THR HG2 . 11106 1 1373 . 1 1 115 115 THR HG23 H 1 1.127 0.030 . 1 . . . . 115 THR HG2 . 11106 1 1374 . 1 1 115 115 THR C C 13 176.079 0.300 . 1 . . . . 115 THR C . 11106 1 1375 . 1 1 115 115 THR CA C 13 60.379 0.300 . 1 . . . . 115 THR CA . 11106 1 1376 . 1 1 115 115 THR CB C 13 70.473 0.300 . 1 . . . . 115 THR CB . 11106 1 1377 . 1 1 115 115 THR CG2 C 13 24.198 0.300 . 1 . . . . 115 THR CG2 . 11106 1 1378 . 1 1 115 115 THR N N 15 114.206 0.300 . 1 . . . . 115 THR N . 11106 1 1379 . 1 1 116 116 ASN H H 1 7.796 0.030 . 1 . . . . 116 ASN H . 11106 1 1380 . 1 1 116 116 ASN HA H 1 4.708 0.030 . 1 . . . . 116 ASN HA . 11106 1 1381 . 1 1 116 116 ASN HB2 H 1 2.287 0.030 . 2 . . . . 116 ASN HB2 . 11106 1 1382 . 1 1 116 116 ASN HB3 H 1 3.095 0.030 . 2 . . . . 116 ASN HB3 . 11106 1 1383 . 1 1 116 116 ASN HD21 H 1 6.962 0.030 . 2 . . . . 116 ASN HD21 . 11106 1 1384 . 1 1 116 116 ASN HD22 H 1 7.745 0.030 . 2 . . . . 116 ASN HD22 . 11106 1 1385 . 1 1 116 116 ASN C C 13 176.520 0.300 . 1 . . . . 116 ASN C . 11106 1 1386 . 1 1 116 116 ASN CA C 13 52.449 0.300 . 1 . . . . 116 ASN CA . 11106 1 1387 . 1 1 116 116 ASN CB C 13 38.820 0.300 . 1 . . . . 116 ASN CB . 11106 1 1388 . 1 1 116 116 ASN N N 15 118.558 0.300 . 1 . . . . 116 ASN N . 11106 1 1389 . 1 1 116 116 ASN ND2 N 15 112.097 0.300 . 1 . . . . 116 ASN ND2 . 11106 1 1390 . 1 1 117 117 SER H H 1 8.668 0.030 . 1 . . . . 117 SER H . 11106 1 1391 . 1 1 117 117 SER HA H 1 4.371 0.030 . 1 . . . . 117 SER HA . 11106 1 1392 . 1 1 117 117 SER HB2 H 1 3.855 0.030 . 2 . . . . 117 SER HB2 . 11106 1 1393 . 1 1 117 117 SER HB3 H 1 3.943 0.030 . 2 . . . . 117 SER HB3 . 11106 1 1394 . 1 1 117 117 SER C C 13 173.632 0.300 . 1 . . . . 117 SER C . 11106 1 1395 . 1 1 117 117 SER CA C 13 59.430 0.300 . 1 . . . . 117 SER CA . 11106 1 1396 . 1 1 117 117 SER CB C 13 63.968 0.300 . 1 . . . . 117 SER CB . 11106 1 1397 . 1 1 117 117 SER N N 15 115.442 0.300 . 1 . . . . 117 SER N . 11106 1 1398 . 1 1 118 118 GLN H H 1 8.533 0.030 . 1 . . . . 118 GLN H . 11106 1 1399 . 1 1 118 118 GLN HA H 1 4.457 0.030 . 1 . . . . 118 GLN HA . 11106 1 1400 . 1 1 118 118 GLN HB2 H 1 1.976 0.030 . 2 . . . . 118 GLN HB2 . 11106 1 1401 . 1 1 118 118 GLN HB3 H 1 1.898 0.030 . 2 . . . . 118 GLN HB3 . 11106 1 1402 . 1 1 118 118 GLN HE21 H 1 6.850 0.030 . 2 . . . . 118 GLN HE21 . 11106 1 1403 . 1 1 118 118 GLN HE22 H 1 7.451 0.030 . 2 . . . . 118 GLN HE22 . 11106 1 1404 . 1 1 118 118 GLN HG2 H 1 2.247 0.030 . 1 . . . . 118 GLN HG2 . 11106 1 1405 . 1 1 118 118 GLN HG3 H 1 2.247 0.030 . 1 . . . . 118 GLN HG3 . 11106 1 1406 . 1 1 118 118 GLN C C 13 173.906 0.300 . 1 . . . . 118 GLN C . 11106 1 1407 . 1 1 118 118 GLN CA C 13 53.875 0.300 . 1 . . . . 118 GLN CA . 11106 1 1408 . 1 1 118 118 GLN CB C 13 29.316 0.300 . 1 . . . . 118 GLN CB . 11106 1 1409 . 1 1 118 118 GLN CG C 13 33.190 0.300 . 1 . . . . 118 GLN CG . 11106 1 1410 . 1 1 118 118 GLN N N 15 121.475 0.300 . 1 . . . . 118 GLN N . 11106 1 1411 . 1 1 118 118 GLN NE2 N 15 112.036 0.300 . 1 . . . . 118 GLN NE2 . 11106 1 1412 . 1 1 119 119 PRO HA H 1 4.264 0.030 . 1 . . . . 119 PRO HA . 11106 1 1413 . 1 1 119 119 PRO HB2 H 1 1.961 0.030 . 2 . . . . 119 PRO HB2 . 11106 1 1414 . 1 1 119 119 PRO HB3 H 1 1.689 0.030 . 2 . . . . 119 PRO HB3 . 11106 1 1415 . 1 1 119 119 PRO HD2 H 1 3.488 0.030 . 2 . . . . 119 PRO HD2 . 11106 1 1416 . 1 1 119 119 PRO HD3 H 1 3.353 0.030 . 2 . . . . 119 PRO HD3 . 11106 1 1417 . 1 1 119 119 PRO HG2 H 1 1.752 0.030 . 2 . . . . 119 PRO HG2 . 11106 1 1418 . 1 1 119 119 PRO HG3 H 1 1.639 0.030 . 2 . . . . 119 PRO HG3 . 11106 1 1419 . 1 1 119 119 PRO C C 13 176.305 0.300 . 1 . . . . 119 PRO C . 11106 1 1420 . 1 1 119 119 PRO CA C 13 62.957 0.300 . 1 . . . . 119 PRO CA . 11106 1 1421 . 1 1 119 119 PRO CB C 13 31.873 0.300 . 1 . . . . 119 PRO CB . 11106 1 1422 . 1 1 119 119 PRO CD C 13 50.625 0.300 . 1 . . . . 119 PRO CD . 11106 1 1423 . 1 1 119 119 PRO CG C 13 27.111 0.300 . 1 . . . . 119 PRO CG . 11106 1 1424 . 1 1 120 120 PHE H H 1 8.231 0.030 . 1 . . . . 120 PHE H . 11106 1 1425 . 1 1 120 120 PHE HA H 1 4.552 0.030 . 1 . . . . 120 PHE HA . 11106 1 1426 . 1 1 120 120 PHE HB2 H 1 3.076 0.030 . 1 . . . . 120 PHE HB2 . 11106 1 1427 . 1 1 120 120 PHE HB3 H 1 3.076 0.030 . 1 . . . . 120 PHE HB3 . 11106 1 1428 . 1 1 120 120 PHE HD1 H 1 7.249 0.030 . 1 . . . . 120 PHE HD1 . 11106 1 1429 . 1 1 120 120 PHE HD2 H 1 7.249 0.030 . 1 . . . . 120 PHE HD2 . 11106 1 1430 . 1 1 120 120 PHE C C 13 175.491 0.300 . 1 . . . . 120 PHE C . 11106 1 1431 . 1 1 120 120 PHE CA C 13 57.758 0.300 . 1 . . . . 120 PHE CA . 11106 1 1432 . 1 1 120 120 PHE CB C 13 39.470 0.300 . 1 . . . . 120 PHE CB . 11106 1 1433 . 1 1 120 120 PHE CD1 C 13 131.804 0.300 . 1 . . . . 120 PHE CD1 . 11106 1 1434 . 1 1 120 120 PHE CD2 C 13 131.804 0.300 . 1 . . . . 120 PHE CD2 . 11106 1 1435 . 1 1 120 120 PHE N N 15 120.663 0.300 . 1 . . . . 120 PHE N . 11106 1 1436 . 1 1 121 121 LYS H H 1 8.197 0.030 . 1 . . . . 121 LYS H . 11106 1 1437 . 1 1 121 121 LYS HA H 1 4.313 0.030 . 1 . . . . 121 LYS HA . 11106 1 1438 . 1 1 121 121 LYS HB2 H 1 1.769 0.030 . 2 . . . . 121 LYS HB2 . 11106 1 1439 . 1 1 121 121 LYS HB3 H 1 1.666 0.030 . 2 . . . . 121 LYS HB3 . 11106 1 1440 . 1 1 121 121 LYS HD2 H 1 1.644 0.030 . 1 . . . . 121 LYS HD2 . 11106 1 1441 . 1 1 121 121 LYS HD3 H 1 1.644 0.030 . 1 . . . . 121 LYS HD3 . 11106 1 1442 . 1 1 121 121 LYS HE2 H 1 2.959 0.030 . 1 . . . . 121 LYS HE2 . 11106 1 1443 . 1 1 121 121 LYS HE3 H 1 2.959 0.030 . 1 . . . . 121 LYS HE3 . 11106 1 1444 . 1 1 121 121 LYS HG2 H 1 1.343 0.030 . 1 . . . . 121 LYS HG2 . 11106 1 1445 . 1 1 121 121 LYS HG3 H 1 1.343 0.030 . 1 . . . . 121 LYS HG3 . 11106 1 1446 . 1 1 121 121 LYS C C 13 175.820 0.300 . 1 . . . . 121 LYS C . 11106 1 1447 . 1 1 121 121 LYS CA C 13 55.936 0.300 . 1 . . . . 121 LYS CA . 11106 1 1448 . 1 1 121 121 LYS CB C 13 33.359 0.300 . 1 . . . . 121 LYS CB . 11106 1 1449 . 1 1 121 121 LYS CD C 13 29.142 0.300 . 1 . . . . 121 LYS CD . 11106 1 1450 . 1 1 121 121 LYS CE C 13 42.143 0.300 . 1 . . . . 121 LYS CE . 11106 1 1451 . 1 1 121 121 LYS CG C 13 24.558 0.300 . 1 . . . . 121 LYS CG . 11106 1 1452 . 1 1 121 121 LYS N N 15 123.876 0.300 . 1 . . . . 121 LYS N . 11106 1 1453 . 1 1 122 122 SER H H 1 8.292 0.030 . 1 . . . . 122 SER H . 11106 1 1454 . 1 1 122 122 SER HA H 1 4.435 0.030 . 1 . . . . 122 SER HA . 11106 1 1455 . 1 1 122 122 SER HB2 H 1 3.843 0.030 . 2 . . . . 122 SER HB2 . 11106 1 1456 . 1 1 122 122 SER C C 13 174.441 0.300 . 1 . . . . 122 SER C . 11106 1 1457 . 1 1 122 122 SER CA C 13 58.228 0.300 . 1 . . . . 122 SER CA . 11106 1 1458 . 1 1 122 122 SER CB C 13 64.047 0.300 . 1 . . . . 122 SER CB . 11106 1 1459 . 1 1 122 122 SER N N 15 117.794 0.300 . 1 . . . . 122 SER N . 11106 1 1460 . 1 1 123 123 GLY H H 1 8.273 0.030 . 1 . . . . 123 GLY H . 11106 1 1461 . 1 1 123 123 GLY HA2 H 1 4.126 0.030 . 1 . . . . 123 GLY HA2 . 11106 1 1462 . 1 1 123 123 GLY HA3 H 1 4.126 0.030 . 1 . . . . 123 GLY HA3 . 11106 1 1463 . 1 1 123 123 GLY C C 13 171.766 0.300 . 1 . . . . 123 GLY C . 11106 1 1464 . 1 1 123 123 GLY CA C 13 44.676 0.300 . 1 . . . . 123 GLY CA . 11106 1 1465 . 1 1 123 123 GLY N N 15 110.733 0.300 . 1 . . . . 123 GLY N . 11106 1 1466 . 1 1 124 124 PRO HA H 1 4.469 0.030 . 1 . . . . 124 PRO HA . 11106 1 1467 . 1 1 124 124 PRO HB2 H 1 2.297 0.030 . 2 . . . . 124 PRO HB2 . 11106 1 1468 . 1 1 124 124 PRO HB3 H 1 1.976 0.030 . 2 . . . . 124 PRO HB3 . 11106 1 1469 . 1 1 124 124 PRO HD2 H 1 3.628 0.030 . 1 . . . . 124 PRO HD2 . 11106 1 1470 . 1 1 124 124 PRO HD3 H 1 3.628 0.030 . 1 . . . . 124 PRO HD3 . 11106 1 1471 . 1 1 124 124 PRO HG2 H 1 2.014 0.030 . 2 . . . . 124 PRO HG2 . 11106 1 1472 . 1 1 124 124 PRO C C 13 177.457 0.300 . 1 . . . . 124 PRO C . 11106 1 1473 . 1 1 124 124 PRO CA C 13 63.275 0.300 . 1 . . . . 124 PRO CA . 11106 1 1474 . 1 1 124 124 PRO CB C 13 32.164 0.300 . 1 . . . . 124 PRO CB . 11106 1 1475 . 1 1 124 124 PRO CD C 13 49.795 0.300 . 1 . . . . 124 PRO CD . 11106 1 1476 . 1 1 124 124 PRO CG C 13 27.149 0.300 . 1 . . . . 124 PRO CG . 11106 1 1477 . 1 1 125 125 SER H H 1 8.528 0.030 . 1 . . . . 125 SER H . 11106 1 1478 . 1 1 125 125 SER HA H 1 4.504 0.030 . 1 . . . . 125 SER HA . 11106 1 1479 . 1 1 125 125 SER HB2 H 1 3.901 0.030 . 2 . . . . 125 SER HB2 . 11106 1 1480 . 1 1 125 125 SER C C 13 174.655 0.300 . 1 . . . . 125 SER C . 11106 1 1481 . 1 1 125 125 SER CA C 13 59.756 0.300 . 1 . . . . 125 SER CA . 11106 1 1482 . 1 1 125 125 SER CB C 13 63.783 0.300 . 1 . . . . 125 SER CB . 11106 1 1483 . 1 1 125 125 SER N N 15 116.381 0.300 . 1 . . . . 125 SER N . 11106 1 1484 . 1 1 126 126 SER H H 1 8.311 0.030 . 1 . . . . 126 SER H . 11106 1 1485 . 1 1 126 126 SER C C 13 173.891 0.300 . 1 . . . . 126 SER C . 11106 1 1486 . 1 1 126 126 SER CA C 13 58.287 0.300 . 1 . . . . 126 SER CA . 11106 1 1487 . 1 1 126 126 SER CB C 13 64.277 0.300 . 1 . . . . 126 SER CB . 11106 1 1488 . 1 1 126 126 SER N N 15 117.776 0.300 . 1 . . . . 126 SER N . 11106 1 stop_ save_