data_11112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11112 _Entry.Title ; The solution structure of the fourth fibronectin type III domain of human Neogenin ; _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 . . . 11112 2 S. Koshiba . . . 11112 3 M. Inoue . . . 11112 4 T. Kigawa . . . 11112 5 S. Yokoyama . . . 11112 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)' . 11112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 511 11112 '15N chemical shifts' 115 11112 '1H chemical shifts' 790 11112 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 . 11112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5I 'BMRB Entry Tracking System' 11112 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11112 _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 fourth fibronectin type III domain of human Neogenin ; _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 . . . 11112 1 2 S. Koshiba . . . 11112 1 3 M. Inoue . . . 11112 1 4 T. Kigawa . . . 11112 1 5 S. Yokoyama . . . 11112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11112 _Assembly.ID 1 _Assembly.Name Neogenin _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 . . . 11112 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 1x5i . . . . . . 11112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11112 _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 ; GSSGSSGPATDWLSAETFES DLDETRVPEVPSSLHVRPLV TSIVVSWTPPENQNIVVRGY AIGYGIGSPHAQTIKVDYKQ RYYTIENLDPSSHYVITLKA FNNVGEGIPLYESAVTRPHT SGPSSG ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1X5I . "The Solution Structure Of The Fourth Fibronectin Type Iii Domain Of Human Neogenin" . . . . . 100.00 126 100.00 100.00 5.36e-84 . . . . 11112 1 2 no PDB 4PLN . "Crystal Structure Of Chicken Netrin-1 (ln-le3) Complexed With Mouse Neogenin (fn4-5)" . . . . . 77.78 205 100.00 100.00 1.45e-62 . . . . 11112 1 3 no DBJ BAD92649 . "neogenin homolog 1 variant [Homo sapiens]" . . . . . 91.27 1130 99.13 100.00 7.85e-70 . . . . 11112 1 4 no DBJ BAI46643 . "neogenin homolog 1 [synthetic construct]" . . . . . 91.27 1454 99.13 100.00 3.07e-69 . . . . 11112 1 5 no EMBL CAA70727 . "neogenin protein [Mus musculus]" . . . . . 91.27 1493 99.13 100.00 2.35e-69 . . . . 11112 1 6 no GB AAB17263 . "neogenin [Homo sapiens]" . . . . . 91.27 1461 99.13 100.00 3.24e-69 . . . . 11112 1 7 no GB AAB41100 . "neogenin, partial [Rattus norvegicus]" . . . . . 91.27 1377 98.26 100.00 4.20e-69 . . . . 11112 1 8 no GB AAC51287 . "neogenin [Homo sapiens]" . . . . . 91.27 1461 99.13 100.00 3.40e-69 . . . . 11112 1 9 no GB AAH54540 . "Neogenin [Mus musculus]" . . . . . 91.27 1465 99.13 100.00 2.58e-69 . . . . 11112 1 10 no GB AAI17162 . "Neogenin homolog 1 (chicken) [Homo sapiens]" . . . . . 91.27 1461 99.13 100.00 3.40e-69 . . . . 11112 1 11 no REF NP_001036217 . "neogenin isoform 2 precursor [Mus musculus]" . . . . . 91.27 1465 99.13 100.00 2.58e-69 . . . . 11112 1 12 no REF NP_001166094 . "neogenin isoform 2 precursor [Homo sapiens]" . . . . . 91.27 1408 99.13 100.00 2.54e-69 . . . . 11112 1 13 no REF NP_001166095 . "neogenin isoform 3 precursor [Homo sapiens]" . . . . . 91.27 1450 99.13 100.00 3.93e-69 . . . . 11112 1 14 no REF NP_001248429 . "neogenin precursor [Macaca mulatta]" . . . . . 91.27 1450 99.13 100.00 2.81e-69 . . . . 11112 1 15 no REF NP_002490 . "neogenin isoform 1 precursor [Homo sapiens]" . . . . . 91.27 1461 99.13 100.00 3.40e-69 . . . . 11112 1 16 no SP P97603 . "RecName: Full=Neogenin; Flags: Precursor" . . . . . 91.27 1377 98.26 100.00 4.20e-69 . . . . 11112 1 17 no SP P97798 . "RecName: Full=Neogenin; Flags: Precursor" . . . . . 91.27 1493 99.13 100.00 2.35e-69 . . . . 11112 1 18 no SP Q92859 . "RecName: Full=Neogenin; AltName: Full=Immunoglobulin superfamily DCC subclass member 2; Flags: Precursor" . . . . . 91.27 1461 99.13 100.00 3.40e-69 . . . . 11112 1 19 no TPG DAA25834 . "TPA: neogenin-like [Bos taurus]" . . . . . 91.27 1460 99.13 100.00 2.43e-69 . . . . 11112 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11112 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 . 11112 1 2 . SER . 11112 1 3 . SER . 11112 1 4 . GLY . 11112 1 5 . SER . 11112 1 6 . SER . 11112 1 7 . GLY . 11112 1 8 . PRO . 11112 1 9 . ALA . 11112 1 10 . THR . 11112 1 11 . ASP . 11112 1 12 . TRP . 11112 1 13 . LEU . 11112 1 14 . SER . 11112 1 15 . ALA . 11112 1 16 . GLU . 11112 1 17 . THR . 11112 1 18 . PHE . 11112 1 19 . GLU . 11112 1 20 . SER . 11112 1 21 . ASP . 11112 1 22 . LEU . 11112 1 23 . ASP . 11112 1 24 . GLU . 11112 1 25 . THR . 11112 1 26 . ARG . 11112 1 27 . VAL . 11112 1 28 . PRO . 11112 1 29 . GLU . 11112 1 30 . VAL . 11112 1 31 . PRO . 11112 1 32 . SER . 11112 1 33 . SER . 11112 1 34 . LEU . 11112 1 35 . HIS . 11112 1 36 . VAL . 11112 1 37 . ARG . 11112 1 38 . PRO . 11112 1 39 . LEU . 11112 1 40 . VAL . 11112 1 41 . THR . 11112 1 42 . SER . 11112 1 43 . ILE . 11112 1 44 . VAL . 11112 1 45 . VAL . 11112 1 46 . SER . 11112 1 47 . TRP . 11112 1 48 . THR . 11112 1 49 . PRO . 11112 1 50 . PRO . 11112 1 51 . GLU . 11112 1 52 . ASN . 11112 1 53 . GLN . 11112 1 54 . ASN . 11112 1 55 . ILE . 11112 1 56 . VAL . 11112 1 57 . VAL . 11112 1 58 . ARG . 11112 1 59 . GLY . 11112 1 60 . TYR . 11112 1 61 . ALA . 11112 1 62 . ILE . 11112 1 63 . GLY . 11112 1 64 . TYR . 11112 1 65 . GLY . 11112 1 66 . ILE . 11112 1 67 . GLY . 11112 1 68 . SER . 11112 1 69 . PRO . 11112 1 70 . HIS . 11112 1 71 . ALA . 11112 1 72 . GLN . 11112 1 73 . THR . 11112 1 74 . ILE . 11112 1 75 . LYS . 11112 1 76 . VAL . 11112 1 77 . ASP . 11112 1 78 . TYR . 11112 1 79 . LYS . 11112 1 80 . GLN . 11112 1 81 . ARG . 11112 1 82 . TYR . 11112 1 83 . TYR . 11112 1 84 . THR . 11112 1 85 . ILE . 11112 1 86 . GLU . 11112 1 87 . ASN . 11112 1 88 . LEU . 11112 1 89 . ASP . 11112 1 90 . PRO . 11112 1 91 . SER . 11112 1 92 . SER . 11112 1 93 . HIS . 11112 1 94 . TYR . 11112 1 95 . VAL . 11112 1 96 . ILE . 11112 1 97 . THR . 11112 1 98 . LEU . 11112 1 99 . LYS . 11112 1 100 . ALA . 11112 1 101 . PHE . 11112 1 102 . ASN . 11112 1 103 . ASN . 11112 1 104 . VAL . 11112 1 105 . GLY . 11112 1 106 . GLU . 11112 1 107 . GLY . 11112 1 108 . ILE . 11112 1 109 . PRO . 11112 1 110 . LEU . 11112 1 111 . TYR . 11112 1 112 . GLU . 11112 1 113 . SER . 11112 1 114 . ALA . 11112 1 115 . VAL . 11112 1 116 . THR . 11112 1 117 . ARG . 11112 1 118 . PRO . 11112 1 119 . HIS . 11112 1 120 . THR . 11112 1 121 . SER . 11112 1 122 . GLY . 11112 1 123 . PRO . 11112 1 124 . SER . 11112 1 125 . SER . 11112 1 126 . GLY . 11112 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 11112 1 . SER 2 2 11112 1 . SER 3 3 11112 1 . GLY 4 4 11112 1 . SER 5 5 11112 1 . SER 6 6 11112 1 . GLY 7 7 11112 1 . PRO 8 8 11112 1 . ALA 9 9 11112 1 . THR 10 10 11112 1 . ASP 11 11 11112 1 . TRP 12 12 11112 1 . LEU 13 13 11112 1 . SER 14 14 11112 1 . ALA 15 15 11112 1 . GLU 16 16 11112 1 . THR 17 17 11112 1 . PHE 18 18 11112 1 . GLU 19 19 11112 1 . SER 20 20 11112 1 . ASP 21 21 11112 1 . LEU 22 22 11112 1 . ASP 23 23 11112 1 . GLU 24 24 11112 1 . THR 25 25 11112 1 . ARG 26 26 11112 1 . VAL 27 27 11112 1 . PRO 28 28 11112 1 . GLU 29 29 11112 1 . VAL 30 30 11112 1 . PRO 31 31 11112 1 . SER 32 32 11112 1 . SER 33 33 11112 1 . LEU 34 34 11112 1 . HIS 35 35 11112 1 . VAL 36 36 11112 1 . ARG 37 37 11112 1 . PRO 38 38 11112 1 . LEU 39 39 11112 1 . VAL 40 40 11112 1 . THR 41 41 11112 1 . SER 42 42 11112 1 . ILE 43 43 11112 1 . VAL 44 44 11112 1 . VAL 45 45 11112 1 . SER 46 46 11112 1 . TRP 47 47 11112 1 . THR 48 48 11112 1 . PRO 49 49 11112 1 . PRO 50 50 11112 1 . GLU 51 51 11112 1 . ASN 52 52 11112 1 . GLN 53 53 11112 1 . ASN 54 54 11112 1 . ILE 55 55 11112 1 . VAL 56 56 11112 1 . VAL 57 57 11112 1 . ARG 58 58 11112 1 . GLY 59 59 11112 1 . TYR 60 60 11112 1 . ALA 61 61 11112 1 . ILE 62 62 11112 1 . GLY 63 63 11112 1 . TYR 64 64 11112 1 . GLY 65 65 11112 1 . ILE 66 66 11112 1 . GLY 67 67 11112 1 . SER 68 68 11112 1 . PRO 69 69 11112 1 . HIS 70 70 11112 1 . ALA 71 71 11112 1 . GLN 72 72 11112 1 . THR 73 73 11112 1 . ILE 74 74 11112 1 . LYS 75 75 11112 1 . VAL 76 76 11112 1 . ASP 77 77 11112 1 . TYR 78 78 11112 1 . LYS 79 79 11112 1 . GLN 80 80 11112 1 . ARG 81 81 11112 1 . TYR 82 82 11112 1 . TYR 83 83 11112 1 . THR 84 84 11112 1 . ILE 85 85 11112 1 . GLU 86 86 11112 1 . ASN 87 87 11112 1 . LEU 88 88 11112 1 . ASP 89 89 11112 1 . PRO 90 90 11112 1 . SER 91 91 11112 1 . SER 92 92 11112 1 . HIS 93 93 11112 1 . TYR 94 94 11112 1 . VAL 95 95 11112 1 . ILE 96 96 11112 1 . THR 97 97 11112 1 . LEU 98 98 11112 1 . LYS 99 99 11112 1 . ALA 100 100 11112 1 . PHE 101 101 11112 1 . ASN 102 102 11112 1 . ASN 103 103 11112 1 . VAL 104 104 11112 1 . GLY 105 105 11112 1 . GLU 106 106 11112 1 . GLY 107 107 11112 1 . ILE 108 108 11112 1 . PRO 109 109 11112 1 . LEU 110 110 11112 1 . TYR 111 111 11112 1 . GLU 112 112 11112 1 . SER 113 113 11112 1 . ALA 114 114 11112 1 . VAL 115 115 11112 1 . THR 116 116 11112 1 . ARG 117 117 11112 1 . PRO 118 118 11112 1 . HIS 119 119 11112 1 . THR 120 120 11112 1 . SER 121 121 11112 1 . GLY 122 122 11112 1 . PRO 123 123 11112 1 . SER 124 124 11112 1 . SER 125 125 11112 1 . GLY 126 126 11112 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 11112 _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 . . . . . . . . . . . . . . . . . . . . . 11112 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 11112 _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 . . . . . . . . . . . . . . . . P041213-05 . . . . . . 11112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11112 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.5mM 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 1.5 . . mM . . . . 11112 1 2 'd-Tris HCl' [U-2H] . . . . . buffer 20 . . mM . . . . 11112 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11112 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11112 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11112 1 6 H2O . . . . . . solvent 90 . . % . . . . 11112 1 7 D2O . . . . . . solvent 10 . . % . . . . 11112 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 11112 _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 11112 1 pH 7.0 0.05 pH 11112 1 pressure 1 0.001 atm 11112 1 temperature 298 0.1 K 11112 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11112 _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 . . 11112 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11112 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11112 _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.' . . 11112 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11112 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11112 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11112 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11112 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11112 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11112 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11112 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11112 _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.' . . 11112 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11112 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 11112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11112 _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 . 900 . . . 11112 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 11112 _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 . . . . . . . . . . . . . . . . 11112 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11112 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 11112 _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 . . . . . . . . . 11112 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11112 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11112 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 11112 _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 11112 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11112 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 . . 11112 1 2 $NMRPipe . . 11112 1 3 $NMRVIEW . . 11112 1 4 $KUJIRA . . 11112 1 5 $CYANA . . 11112 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 8 8 PRO HA H 1 4.405 0.030 . 1 . . . . 8 PRO HA . 11112 1 2 . 1 1 8 8 PRO HB2 H 1 2.257 0.030 . 2 . . . . 8 PRO HB2 . 11112 1 3 . 1 1 8 8 PRO HB3 H 1 1.929 0.030 . 2 . . . . 8 PRO HB3 . 11112 1 4 . 1 1 8 8 PRO HD2 H 1 3.639 0.030 . 2 . . . . 8 PRO HD2 . 11112 1 5 . 1 1 8 8 PRO HG2 H 1 2.008 0.030 . 2 . . . . 8 PRO HG2 . 11112 1 6 . 1 1 8 8 PRO C C 13 176.955 0.300 . 1 . . . . 8 PRO C . 11112 1 7 . 1 1 8 8 PRO CA C 13 63.148 0.300 . 1 . . . . 8 PRO CA . 11112 1 8 . 1 1 8 8 PRO CB C 13 32.232 0.300 . 1 . . . . 8 PRO CB . 11112 1 9 . 1 1 8 8 PRO CD C 13 49.758 0.300 . 1 . . . . 8 PRO CD . 11112 1 10 . 1 1 8 8 PRO CG C 13 27.212 0.300 . 1 . . . . 8 PRO CG . 11112 1 11 . 1 1 9 9 ALA H H 1 8.437 0.030 . 1 . . . . 9 ALA H . 11112 1 12 . 1 1 9 9 ALA HA H 1 4.302 0.030 . 1 . . . . 9 ALA HA . 11112 1 13 . 1 1 9 9 ALA HB1 H 1 1.392 0.030 . 1 . . . . 9 ALA HB . 11112 1 14 . 1 1 9 9 ALA HB2 H 1 1.392 0.030 . 1 . . . . 9 ALA HB . 11112 1 15 . 1 1 9 9 ALA HB3 H 1 1.392 0.030 . 1 . . . . 9 ALA HB . 11112 1 16 . 1 1 9 9 ALA C C 13 178.179 0.300 . 1 . . . . 9 ALA C . 11112 1 17 . 1 1 9 9 ALA CA C 13 52.624 0.300 . 1 . . . . 9 ALA CA . 11112 1 18 . 1 1 9 9 ALA CB C 13 19.073 0.300 . 1 . . . . 9 ALA CB . 11112 1 19 . 1 1 9 9 ALA N N 15 124.155 0.300 . 1 . . . . 9 ALA N . 11112 1 20 . 1 1 10 10 THR H H 1 8.062 0.030 . 1 . . . . 10 THR H . 11112 1 21 . 1 1 10 10 THR HA H 1 4.216 0.030 . 1 . . . . 10 THR HA . 11112 1 22 . 1 1 10 10 THR HB H 1 4.084 0.030 . 1 . . . . 10 THR HB . 11112 1 23 . 1 1 10 10 THR HG21 H 1 1.061 0.030 . 1 . . . . 10 THR HG2 . 11112 1 24 . 1 1 10 10 THR HG22 H 1 1.061 0.030 . 1 . . . . 10 THR HG2 . 11112 1 25 . 1 1 10 10 THR HG23 H 1 1.061 0.030 . 1 . . . . 10 THR HG2 . 11112 1 26 . 1 1 10 10 THR C C 13 174.489 0.300 . 1 . . . . 10 THR C . 11112 1 27 . 1 1 10 10 THR CA C 13 61.837 0.300 . 1 . . . . 10 THR CA . 11112 1 28 . 1 1 10 10 THR CB C 13 69.712 0.300 . 1 . . . . 10 THR CB . 11112 1 29 . 1 1 10 10 THR CG2 C 13 21.458 0.300 . 1 . . . . 10 THR CG2 . 11112 1 30 . 1 1 10 10 THR N N 15 112.535 0.300 . 1 . . . . 10 THR N . 11112 1 31 . 1 1 11 11 ASP H H 1 8.261 0.030 . 1 . . . . 11 ASP H . 11112 1 32 . 1 1 11 11 ASP HA H 1 4.599 0.030 . 1 . . . . 11 ASP HA . 11112 1 33 . 1 1 11 11 ASP HB2 H 1 2.647 0.030 . 2 . . . . 11 ASP HB2 . 11112 1 34 . 1 1 11 11 ASP C C 13 176.187 0.300 . 1 . . . . 11 ASP C . 11112 1 35 . 1 1 11 11 ASP CA C 13 54.429 0.300 . 1 . . . . 11 ASP CA . 11112 1 36 . 1 1 11 11 ASP CB C 13 40.920 0.300 . 1 . . . . 11 ASP CB . 11112 1 37 . 1 1 11 11 ASP N N 15 122.444 0.300 . 1 . . . . 11 ASP N . 11112 1 38 . 1 1 12 12 TRP H H 1 8.005 0.030 . 1 . . . . 12 TRP H . 11112 1 39 . 1 1 12 12 TRP HA H 1 4.611 0.030 . 1 . . . . 12 TRP HA . 11112 1 40 . 1 1 12 12 TRP HB2 H 1 3.298 0.030 . 1 . . . . 12 TRP HB2 . 11112 1 41 . 1 1 12 12 TRP HB3 H 1 3.298 0.030 . 1 . . . . 12 TRP HB3 . 11112 1 42 . 1 1 12 12 TRP HD1 H 1 7.271 0.030 . 1 . . . . 12 TRP HD1 . 11112 1 43 . 1 1 12 12 TRP HE1 H 1 10.133 0.030 . 1 . . . . 12 TRP HE1 . 11112 1 44 . 1 1 12 12 TRP HE3 H 1 7.616 0.030 . 1 . . . . 12 TRP HE3 . 11112 1 45 . 1 1 12 12 TRP HH2 H 1 7.231 0.030 . 1 . . . . 12 TRP HH2 . 11112 1 46 . 1 1 12 12 TRP HZ2 H 1 7.475 0.030 . 1 . . . . 12 TRP HZ2 . 11112 1 47 . 1 1 12 12 TRP HZ3 H 1 7.152 0.030 . 1 . . . . 12 TRP HZ3 . 11112 1 48 . 1 1 12 12 TRP C C 13 176.369 0.300 . 1 . . . . 12 TRP C . 11112 1 49 . 1 1 12 12 TRP CA C 13 57.519 0.300 . 1 . . . . 12 TRP CA . 11112 1 50 . 1 1 12 12 TRP CB C 13 29.255 0.300 . 1 . . . . 12 TRP CB . 11112 1 51 . 1 1 12 12 TRP CD1 C 13 127.274 0.300 . 1 . . . . 12 TRP CD1 . 11112 1 52 . 1 1 12 12 TRP CE3 C 13 120.940 0.300 . 1 . . . . 12 TRP CE3 . 11112 1 53 . 1 1 12 12 TRP CH2 C 13 124.632 0.300 . 1 . . . . 12 TRP CH2 . 11112 1 54 . 1 1 12 12 TRP CZ2 C 13 114.582 0.300 . 1 . . . . 12 TRP CZ2 . 11112 1 55 . 1 1 12 12 TRP CZ3 C 13 122.115 0.300 . 1 . . . . 12 TRP CZ3 . 11112 1 56 . 1 1 12 12 TRP N N 15 121.186 0.300 . 1 . . . . 12 TRP N . 11112 1 57 . 1 1 12 12 TRP NE1 N 15 129.457 0.300 . 1 . . . . 12 TRP NE1 . 11112 1 58 . 1 1 13 13 LEU H H 1 7.846 0.030 . 1 . . . . 13 LEU H . 11112 1 59 . 1 1 13 13 LEU HA H 1 4.209 0.030 . 1 . . . . 13 LEU HA . 11112 1 60 . 1 1 13 13 LEU HB2 H 1 1.476 0.030 . 1 . . . . 13 LEU HB2 . 11112 1 61 . 1 1 13 13 LEU HB3 H 1 1.476 0.030 . 1 . . . . 13 LEU HB3 . 11112 1 62 . 1 1 13 13 LEU HD11 H 1 0.832 0.030 . 1 . . . . 13 LEU HD1 . 11112 1 63 . 1 1 13 13 LEU HD12 H 1 0.832 0.030 . 1 . . . . 13 LEU HD1 . 11112 1 64 . 1 1 13 13 LEU HD13 H 1 0.832 0.030 . 1 . . . . 13 LEU HD1 . 11112 1 65 . 1 1 13 13 LEU HD21 H 1 0.740 0.030 . 1 . . . . 13 LEU HD2 . 11112 1 66 . 1 1 13 13 LEU HD22 H 1 0.740 0.030 . 1 . . . . 13 LEU HD2 . 11112 1 67 . 1 1 13 13 LEU HD23 H 1 0.740 0.030 . 1 . . . . 13 LEU HD2 . 11112 1 68 . 1 1 13 13 LEU HG H 1 1.308 0.030 . 1 . . . . 13 LEU HG . 11112 1 69 . 1 1 13 13 LEU C C 13 177.420 0.300 . 1 . . . . 13 LEU C . 11112 1 70 . 1 1 13 13 LEU CA C 13 55.544 0.300 . 1 . . . . 13 LEU CA . 11112 1 71 . 1 1 13 13 LEU CB C 13 42.295 0.300 . 1 . . . . 13 LEU CB . 11112 1 72 . 1 1 13 13 LEU CD1 C 13 24.940 0.300 . 2 . . . . 13 LEU CD1 . 11112 1 73 . 1 1 13 13 LEU CD2 C 13 23.582 0.300 . 2 . . . . 13 LEU CD2 . 11112 1 74 . 1 1 13 13 LEU CG C 13 26.790 0.300 . 1 . . . . 13 LEU CG . 11112 1 75 . 1 1 13 13 LEU N N 15 123.128 0.300 . 1 . . . . 13 LEU N . 11112 1 76 . 1 1 14 14 SER H H 1 8.042 0.030 . 1 . . . . 14 SER H . 11112 1 77 . 1 1 14 14 SER HA H 1 4.356 0.030 . 1 . . . . 14 SER HA . 11112 1 78 . 1 1 14 14 SER HB2 H 1 3.871 0.030 . 2 . . . . 14 SER HB2 . 11112 1 79 . 1 1 14 14 SER C C 13 174.357 0.300 . 1 . . . . 14 SER C . 11112 1 80 . 1 1 14 14 SER CA C 13 58.448 0.300 . 1 . . . . 14 SER CA . 11112 1 81 . 1 1 14 14 SER CB C 13 63.867 0.300 . 1 . . . . 14 SER CB . 11112 1 82 . 1 1 14 14 SER N N 15 115.844 0.300 . 1 . . . . 14 SER N . 11112 1 83 . 1 1 15 15 ALA H H 1 8.200 0.030 . 1 . . . . 15 ALA H . 11112 1 84 . 1 1 15 15 ALA HA H 1 4.332 0.030 . 1 . . . . 15 ALA HA . 11112 1 85 . 1 1 15 15 ALA HB1 H 1 1.419 0.030 . 1 . . . . 15 ALA HB . 11112 1 86 . 1 1 15 15 ALA HB2 H 1 1.419 0.030 . 1 . . . . 15 ALA HB . 11112 1 87 . 1 1 15 15 ALA HB3 H 1 1.419 0.030 . 1 . . . . 15 ALA HB . 11112 1 88 . 1 1 15 15 ALA C C 13 177.735 0.300 . 1 . . . . 15 ALA C . 11112 1 89 . 1 1 15 15 ALA CA C 13 52.670 0.300 . 1 . . . . 15 ALA CA . 11112 1 90 . 1 1 15 15 ALA CB C 13 19.424 0.300 . 1 . . . . 15 ALA CB . 11112 1 91 . 1 1 15 15 ALA N N 15 125.660 0.300 . 1 . . . . 15 ALA N . 11112 1 92 . 1 1 16 16 GLU H H 1 8.220 0.030 . 1 . . . . 16 GLU H . 11112 1 93 . 1 1 16 16 GLU HA H 1 4.279 0.030 . 1 . . . . 16 GLU HA . 11112 1 94 . 1 1 16 16 GLU HB2 H 1 1.947 0.030 . 1 . . . . 16 GLU HB2 . 11112 1 95 . 1 1 16 16 GLU HB3 H 1 1.947 0.030 . 1 . . . . 16 GLU HB3 . 11112 1 96 . 1 1 16 16 GLU HG2 H 1 2.216 0.030 . 1 . . . . 16 GLU HG2 . 11112 1 97 . 1 1 16 16 GLU HG3 H 1 2.216 0.030 . 1 . . . . 16 GLU HG3 . 11112 1 98 . 1 1 16 16 GLU C C 13 176.531 0.300 . 1 . . . . 16 GLU C . 11112 1 99 . 1 1 16 16 GLU CA C 13 56.767 0.300 . 1 . . . . 16 GLU CA . 11112 1 100 . 1 1 16 16 GLU CB C 13 30.340 0.300 . 1 . . . . 16 GLU CB . 11112 1 101 . 1 1 16 16 GLU CG C 13 36.365 0.300 . 1 . . . . 16 GLU CG . 11112 1 102 . 1 1 16 16 GLU N N 15 119.636 0.300 . 1 . . . . 16 GLU N . 11112 1 103 . 1 1 17 17 THR H H 1 8.118 0.030 . 1 . . . . 17 THR H . 11112 1 104 . 1 1 17 17 THR HA H 1 4.347 0.030 . 1 . . . . 17 THR HA . 11112 1 105 . 1 1 17 17 THR HB H 1 4.132 0.030 . 1 . . . . 17 THR HB . 11112 1 106 . 1 1 17 17 THR HG21 H 1 1.146 0.030 . 1 . . . . 17 THR HG2 . 11112 1 107 . 1 1 17 17 THR HG22 H 1 1.146 0.030 . 1 . . . . 17 THR HG2 . 11112 1 108 . 1 1 17 17 THR HG23 H 1 1.146 0.030 . 1 . . . . 17 THR HG2 . 11112 1 109 . 1 1 17 17 THR C C 13 173.994 0.300 . 1 . . . . 17 THR C . 11112 1 110 . 1 1 17 17 THR CA C 13 61.599 0.300 . 1 . . . . 17 THR CA . 11112 1 111 . 1 1 17 17 THR CB C 13 70.045 0.300 . 1 . . . . 17 THR CB . 11112 1 112 . 1 1 17 17 THR CG2 C 13 21.390 0.300 . 1 . . . . 17 THR CG2 . 11112 1 113 . 1 1 17 17 THR N N 15 115.453 0.300 . 1 . . . . 17 THR N . 11112 1 114 . 1 1 18 18 PHE H H 1 8.339 0.030 . 1 . . . . 18 PHE H . 11112 1 115 . 1 1 18 18 PHE HA H 1 4.655 0.030 . 1 . . . . 18 PHE HA . 11112 1 116 . 1 1 18 18 PHE HB2 H 1 3.129 0.030 . 2 . . . . 18 PHE HB2 . 11112 1 117 . 1 1 18 18 PHE HB3 H 1 2.959 0.030 . 2 . . . . 18 PHE HB3 . 11112 1 118 . 1 1 18 18 PHE HD1 H 1 7.184 0.030 . 1 . . . . 18 PHE HD1 . 11112 1 119 . 1 1 18 18 PHE HD2 H 1 7.184 0.030 . 1 . . . . 18 PHE HD2 . 11112 1 120 . 1 1 18 18 PHE HE1 H 1 7.152 0.030 . 1 . . . . 18 PHE HE1 . 11112 1 121 . 1 1 18 18 PHE HE2 H 1 7.152 0.030 . 1 . . . . 18 PHE HE2 . 11112 1 122 . 1 1 18 18 PHE HZ H 1 7.019 0.030 . 1 . . . . 18 PHE HZ . 11112 1 123 . 1 1 18 18 PHE C C 13 175.530 0.300 . 1 . . . . 18 PHE C . 11112 1 124 . 1 1 18 18 PHE CA C 13 57.627 0.300 . 1 . . . . 18 PHE CA . 11112 1 125 . 1 1 18 18 PHE CB C 13 40.089 0.300 . 1 . . . . 18 PHE CB . 11112 1 126 . 1 1 18 18 PHE CD1 C 13 131.859 0.300 . 1 . . . . 18 PHE CD1 . 11112 1 127 . 1 1 18 18 PHE CD2 C 13 131.859 0.300 . 1 . . . . 18 PHE CD2 . 11112 1 128 . 1 1 18 18 PHE CE1 C 13 131.240 0.300 . 1 . . . . 18 PHE CE1 . 11112 1 129 . 1 1 18 18 PHE CE2 C 13 131.240 0.300 . 1 . . . . 18 PHE CE2 . 11112 1 130 . 1 1 18 18 PHE CZ C 13 129.786 0.300 . 1 . . . . 18 PHE CZ . 11112 1 131 . 1 1 18 18 PHE N N 15 122.923 0.300 . 1 . . . . 18 PHE N . 11112 1 132 . 1 1 19 19 GLU H H 1 8.505 0.030 . 1 . . . . 19 GLU H . 11112 1 133 . 1 1 19 19 GLU HA H 1 4.256 0.030 . 1 . . . . 19 GLU HA . 11112 1 134 . 1 1 19 19 GLU HB2 H 1 1.919 0.030 . 2 . . . . 19 GLU HB2 . 11112 1 135 . 1 1 19 19 GLU HB3 H 1 2.069 0.030 . 2 . . . . 19 GLU HB3 . 11112 1 136 . 1 1 19 19 GLU HG2 H 1 2.237 0.030 . 2 . . . . 19 GLU HG2 . 11112 1 137 . 1 1 19 19 GLU C C 13 176.653 0.300 . 1 . . . . 19 GLU C . 11112 1 138 . 1 1 19 19 GLU CA C 13 56.820 0.300 . 1 . . . . 19 GLU CA . 11112 1 139 . 1 1 19 19 GLU CB C 13 30.285 0.300 . 1 . . . . 19 GLU CB . 11112 1 140 . 1 1 19 19 GLU CG C 13 36.360 0.300 . 1 . . . . 19 GLU CG . 11112 1 141 . 1 1 19 19 GLU N N 15 122.497 0.300 . 1 . . . . 19 GLU N . 11112 1 142 . 1 1 20 20 SER H H 1 8.311 0.030 . 1 . . . . 20 SER H . 11112 1 143 . 1 1 20 20 SER HA H 1 4.403 0.030 . 1 . . . . 20 SER HA . 11112 1 144 . 1 1 20 20 SER HB2 H 1 3.790 0.030 . 2 . . . . 20 SER HB2 . 11112 1 145 . 1 1 20 20 SER C C 13 174.105 0.300 . 1 . . . . 20 SER C . 11112 1 146 . 1 1 20 20 SER CA C 13 59.050 0.300 . 1 . . . . 20 SER CA . 11112 1 147 . 1 1 20 20 SER CB C 13 64.004 0.300 . 1 . . . . 20 SER CB . 11112 1 148 . 1 1 20 20 SER N N 15 116.179 0.300 . 1 . . . . 20 SER N . 11112 1 149 . 1 1 21 21 ASP H H 1 8.395 0.030 . 1 . . . . 21 ASP H . 11112 1 150 . 1 1 21 21 ASP HA H 1 4.655 0.030 . 1 . . . . 21 ASP HA . 11112 1 151 . 1 1 21 21 ASP HB2 H 1 2.717 0.030 . 2 . . . . 21 ASP HB2 . 11112 1 152 . 1 1 21 21 ASP HB3 H 1 2.627 0.030 . 2 . . . . 21 ASP HB3 . 11112 1 153 . 1 1 21 21 ASP C C 13 175.995 0.300 . 1 . . . . 21 ASP C . 11112 1 154 . 1 1 21 21 ASP CA C 13 54.370 0.300 . 1 . . . . 21 ASP CA . 11112 1 155 . 1 1 21 21 ASP CB C 13 40.954 0.300 . 1 . . . . 21 ASP CB . 11112 1 156 . 1 1 21 21 ASP N N 15 121.124 0.300 . 1 . . . . 21 ASP N . 11112 1 157 . 1 1 22 22 LEU H H 1 7.764 0.030 . 1 . . . . 22 LEU H . 11112 1 158 . 1 1 22 22 LEU HA H 1 4.436 0.030 . 1 . . . . 22 LEU HA . 11112 1 159 . 1 1 22 22 LEU HB2 H 1 1.584 0.030 . 2 . . . . 22 LEU HB2 . 11112 1 160 . 1 1 22 22 LEU HB3 H 1 1.271 0.030 . 2 . . . . 22 LEU HB3 . 11112 1 161 . 1 1 22 22 LEU HD11 H 1 0.848 0.030 . 1 . . . . 22 LEU HD1 . 11112 1 162 . 1 1 22 22 LEU HD12 H 1 0.848 0.030 . 1 . . . . 22 LEU HD1 . 11112 1 163 . 1 1 22 22 LEU HD13 H 1 0.848 0.030 . 1 . . . . 22 LEU HD1 . 11112 1 164 . 1 1 22 22 LEU HD21 H 1 0.831 0.030 . 1 . . . . 22 LEU HD2 . 11112 1 165 . 1 1 22 22 LEU HD22 H 1 0.831 0.030 . 1 . . . . 22 LEU HD2 . 11112 1 166 . 1 1 22 22 LEU HD23 H 1 0.831 0.030 . 1 . . . . 22 LEU HD2 . 11112 1 167 . 1 1 22 22 LEU HG H 1 1.598 0.030 . 1 . . . . 22 LEU HG . 11112 1 168 . 1 1 22 22 LEU C C 13 176.126 0.300 . 1 . . . . 22 LEU C . 11112 1 169 . 1 1 22 22 LEU CA C 13 54.678 0.300 . 1 . . . . 22 LEU CA . 11112 1 170 . 1 1 22 22 LEU CB C 13 43.153 0.300 . 1 . . . . 22 LEU CB . 11112 1 171 . 1 1 22 22 LEU CD1 C 13 25.668 0.300 . 2 . . . . 22 LEU CD1 . 11112 1 172 . 1 1 22 22 LEU CD2 C 13 23.134 0.300 . 2 . . . . 22 LEU CD2 . 11112 1 173 . 1 1 22 22 LEU CG C 13 27.093 0.300 . 1 . . . . 22 LEU CG . 11112 1 174 . 1 1 22 22 LEU N N 15 120.816 0.300 . 1 . . . . 22 LEU N . 11112 1 175 . 1 1 23 23 ASP H H 1 8.494 0.030 . 1 . . . . 23 ASP H . 11112 1 176 . 1 1 23 23 ASP HA H 1 4.584 0.030 . 1 . . . . 23 ASP HA . 11112 1 177 . 1 1 23 23 ASP HB2 H 1 2.559 0.030 . 2 . . . . 23 ASP HB2 . 11112 1 178 . 1 1 23 23 ASP HB3 H 1 2.849 0.030 . 2 . . . . 23 ASP HB3 . 11112 1 179 . 1 1 23 23 ASP C C 13 175.490 0.300 . 1 . . . . 23 ASP C . 11112 1 180 . 1 1 23 23 ASP CA C 13 54.241 0.300 . 1 . . . . 23 ASP CA . 11112 1 181 . 1 1 23 23 ASP CB C 13 42.631 0.300 . 1 . . . . 23 ASP CB . 11112 1 182 . 1 1 23 23 ASP N N 15 121.183 0.300 . 1 . . . . 23 ASP N . 11112 1 183 . 1 1 24 24 GLU H H 1 9.084 0.030 . 1 . . . . 24 GLU H . 11112 1 184 . 1 1 24 24 GLU HA H 1 4.565 0.030 . 1 . . . . 24 GLU HA . 11112 1 185 . 1 1 24 24 GLU HB2 H 1 1.422 0.030 . 2 . . . . 24 GLU HB2 . 11112 1 186 . 1 1 24 24 GLU HB3 H 1 2.211 0.030 . 2 . . . . 24 GLU HB3 . 11112 1 187 . 1 1 24 24 GLU HG2 H 1 2.756 0.030 . 2 . . . . 24 GLU HG2 . 11112 1 188 . 1 1 24 24 GLU HG3 H 1 2.114 0.030 . 2 . . . . 24 GLU HG3 . 11112 1 189 . 1 1 24 24 GLU C C 13 175.398 0.300 . 1 . . . . 24 GLU C . 11112 1 190 . 1 1 24 24 GLU CA C 13 54.653 0.300 . 1 . . . . 24 GLU CA . 11112 1 191 . 1 1 24 24 GLU CB C 13 31.473 0.300 . 1 . . . . 24 GLU CB . 11112 1 192 . 1 1 24 24 GLU CG C 13 39.673 0.300 . 1 . . . . 24 GLU CG . 11112 1 193 . 1 1 24 24 GLU N N 15 130.568 0.300 . 1 . . . . 24 GLU N . 11112 1 194 . 1 1 25 25 THR H H 1 8.737 0.030 . 1 . . . . 25 THR H . 11112 1 195 . 1 1 25 25 THR HA H 1 4.435 0.030 . 1 . . . . 25 THR HA . 11112 1 196 . 1 1 25 25 THR HB H 1 4.374 0.030 . 1 . . . . 25 THR HB . 11112 1 197 . 1 1 25 25 THR HG21 H 1 1.246 0.030 . 1 . . . . 25 THR HG2 . 11112 1 198 . 1 1 25 25 THR HG22 H 1 1.246 0.030 . 1 . . . . 25 THR HG2 . 11112 1 199 . 1 1 25 25 THR HG23 H 1 1.246 0.030 . 1 . . . . 25 THR HG2 . 11112 1 200 . 1 1 25 25 THR C C 13 174.206 0.300 . 1 . . . . 25 THR C . 11112 1 201 . 1 1 25 25 THR CA C 13 61.911 0.300 . 1 . . . . 25 THR CA . 11112 1 202 . 1 1 25 25 THR CB C 13 70.221 0.300 . 1 . . . . 25 THR CB . 11112 1 203 . 1 1 25 25 THR CG2 C 13 21.576 0.300 . 1 . . . . 25 THR CG2 . 11112 1 204 . 1 1 25 25 THR N N 15 108.881 0.300 . 1 . . . . 25 THR N . 11112 1 205 . 1 1 26 26 ARG H H 1 7.347 0.030 . 1 . . . . 26 ARG H . 11112 1 206 . 1 1 26 26 ARG HA H 1 4.724 0.030 . 1 . . . . 26 ARG HA . 11112 1 207 . 1 1 26 26 ARG HB2 H 1 1.918 0.030 . 2 . . . . 26 ARG HB2 . 11112 1 208 . 1 1 26 26 ARG HB3 H 1 1.690 0.030 . 2 . . . . 26 ARG HB3 . 11112 1 209 . 1 1 26 26 ARG HD2 H 1 3.069 0.030 . 1 . . . . 26 ARG HD2 . 11112 1 210 . 1 1 26 26 ARG HD3 H 1 3.069 0.030 . 1 . . . . 26 ARG HD3 . 11112 1 211 . 1 1 26 26 ARG HE H 1 7.234 0.030 . 1 . . . . 26 ARG HE . 11112 1 212 . 1 1 26 26 ARG HG2 H 1 1.541 0.030 . 2 . . . . 26 ARG HG2 . 11112 1 213 . 1 1 26 26 ARG HG3 H 1 1.419 0.030 . 2 . . . . 26 ARG HG3 . 11112 1 214 . 1 1 26 26 ARG C C 13 173.973 0.300 . 1 . . . . 26 ARG C . 11112 1 215 . 1 1 26 26 ARG CA C 13 53.138 0.300 . 1 . . . . 26 ARG CA . 11112 1 216 . 1 1 26 26 ARG CB C 13 33.246 0.300 . 1 . . . . 26 ARG CB . 11112 1 217 . 1 1 26 26 ARG CD C 13 43.589 0.300 . 1 . . . . 26 ARG CD . 11112 1 218 . 1 1 26 26 ARG CG C 13 24.840 0.300 . 1 . . . . 26 ARG CG . 11112 1 219 . 1 1 26 26 ARG N N 15 118.819 0.300 . 1 . . . . 26 ARG N . 11112 1 220 . 1 1 26 26 ARG NE N 15 85.485 0.300 . 1 . . . . 26 ARG NE . 11112 1 221 . 1 1 27 27 VAL H H 1 7.935 0.030 . 1 . . . . 27 VAL H . 11112 1 222 . 1 1 27 27 VAL HA H 1 4.342 0.030 . 1 . . . . 27 VAL HA . 11112 1 223 . 1 1 27 27 VAL HB H 1 1.852 0.030 . 1 . . . . 27 VAL HB . 11112 1 224 . 1 1 27 27 VAL HG11 H 1 0.761 0.030 . 1 . . . . 27 VAL HG1 . 11112 1 225 . 1 1 27 27 VAL HG12 H 1 0.761 0.030 . 1 . . . . 27 VAL HG1 . 11112 1 226 . 1 1 27 27 VAL HG13 H 1 0.761 0.030 . 1 . . . . 27 VAL HG1 . 11112 1 227 . 1 1 27 27 VAL HG21 H 1 0.884 0.030 . 1 . . . . 27 VAL HG2 . 11112 1 228 . 1 1 27 27 VAL HG22 H 1 0.884 0.030 . 1 . . . . 27 VAL HG2 . 11112 1 229 . 1 1 27 27 VAL HG23 H 1 0.884 0.030 . 1 . . . . 27 VAL HG2 . 11112 1 230 . 1 1 27 27 VAL C C 13 172.363 0.300 . 1 . . . . 27 VAL C . 11112 1 231 . 1 1 27 27 VAL CA C 13 60.177 0.300 . 1 . . . . 27 VAL CA . 11112 1 232 . 1 1 27 27 VAL CB C 13 29.683 0.300 . 1 . . . . 27 VAL CB . 11112 1 233 . 1 1 27 27 VAL CG1 C 13 21.414 0.300 . 2 . . . . 27 VAL CG1 . 11112 1 234 . 1 1 27 27 VAL CG2 C 13 17.585 0.300 . 2 . . . . 27 VAL CG2 . 11112 1 235 . 1 1 27 27 VAL N N 15 112.328 0.300 . 1 . . . . 27 VAL N . 11112 1 236 . 1 1 28 28 PRO HA H 1 4.373 0.030 . 1 . . . . 28 PRO HA . 11112 1 237 . 1 1 28 28 PRO HB2 H 1 1.791 0.030 . 2 . . . . 28 PRO HB2 . 11112 1 238 . 1 1 28 28 PRO HB3 H 1 2.126 0.030 . 2 . . . . 28 PRO HB3 . 11112 1 239 . 1 1 28 28 PRO HD2 H 1 3.730 0.030 . 2 . . . . 28 PRO HD2 . 11112 1 240 . 1 1 28 28 PRO HD3 H 1 3.218 0.030 . 2 . . . . 28 PRO HD3 . 11112 1 241 . 1 1 28 28 PRO HG2 H 1 1.389 0.030 . 2 . . . . 28 PRO HG2 . 11112 1 242 . 1 1 28 28 PRO HG3 H 1 1.924 0.030 . 2 . . . . 28 PRO HG3 . 11112 1 243 . 1 1 28 28 PRO C C 13 175.662 0.300 . 1 . . . . 28 PRO C . 11112 1 244 . 1 1 28 28 PRO CA C 13 61.881 0.300 . 1 . . . . 28 PRO CA . 11112 1 245 . 1 1 28 28 PRO CB C 13 32.784 0.300 . 1 . . . . 28 PRO CB . 11112 1 246 . 1 1 28 28 PRO CD C 13 49.998 0.300 . 1 . . . . 28 PRO CD . 11112 1 247 . 1 1 28 28 PRO CG C 13 27.552 0.300 . 1 . . . . 28 PRO CG . 11112 1 248 . 1 1 29 29 GLU H H 1 7.898 0.030 . 1 . . . . 29 GLU H . 11112 1 249 . 1 1 29 29 GLU HA H 1 4.301 0.030 . 1 . . . . 29 GLU HA . 11112 1 250 . 1 1 29 29 GLU HB2 H 1 2.441 0.030 . 2 . . . . 29 GLU HB2 . 11112 1 251 . 1 1 29 29 GLU HB3 H 1 1.998 0.030 . 2 . . . . 29 GLU HB3 . 11112 1 252 . 1 1 29 29 GLU HG2 H 1 2.342 0.030 . 2 . . . . 29 GLU HG2 . 11112 1 253 . 1 1 29 29 GLU HG3 H 1 2.445 0.030 . 2 . . . . 29 GLU HG3 . 11112 1 254 . 1 1 29 29 GLU C C 13 174.843 0.300 . 1 . . . . 29 GLU C . 11112 1 255 . 1 1 29 29 GLU CA C 13 55.559 0.300 . 1 . . . . 29 GLU CA . 11112 1 256 . 1 1 29 29 GLU CB C 13 31.490 0.300 . 1 . . . . 29 GLU CB . 11112 1 257 . 1 1 29 29 GLU CG C 13 37.675 0.300 . 1 . . . . 29 GLU CG . 11112 1 258 . 1 1 29 29 GLU N N 15 116.508 0.300 . 1 . . . . 29 GLU N . 11112 1 259 . 1 1 30 30 VAL H H 1 7.718 0.030 . 1 . . . . 30 VAL H . 11112 1 260 . 1 1 30 30 VAL HA H 1 4.637 0.030 . 1 . . . . 30 VAL HA . 11112 1 261 . 1 1 30 30 VAL HB H 1 2.085 0.030 . 1 . . . . 30 VAL HB . 11112 1 262 . 1 1 30 30 VAL HG11 H 1 1.018 0.030 . 1 . . . . 30 VAL HG1 . 11112 1 263 . 1 1 30 30 VAL HG12 H 1 1.018 0.030 . 1 . . . . 30 VAL HG1 . 11112 1 264 . 1 1 30 30 VAL HG13 H 1 1.018 0.030 . 1 . . . . 30 VAL HG1 . 11112 1 265 . 1 1 30 30 VAL HG21 H 1 1.132 0.030 . 1 . . . . 30 VAL HG2 . 11112 1 266 . 1 1 30 30 VAL HG22 H 1 1.132 0.030 . 1 . . . . 30 VAL HG2 . 11112 1 267 . 1 1 30 30 VAL HG23 H 1 1.132 0.030 . 1 . . . . 30 VAL HG2 . 11112 1 268 . 1 1 30 30 VAL C C 13 173.739 0.300 . 1 . . . . 30 VAL C . 11112 1 269 . 1 1 30 30 VAL CA C 13 59.454 0.300 . 1 . . . . 30 VAL CA . 11112 1 270 . 1 1 30 30 VAL CB C 13 33.567 0.300 . 1 . . . . 30 VAL CB . 11112 1 271 . 1 1 30 30 VAL CG1 C 13 20.484 0.300 . 2 . . . . 30 VAL CG1 . 11112 1 272 . 1 1 30 30 VAL CG2 C 13 20.682 0.300 . 2 . . . . 30 VAL CG2 . 11112 1 273 . 1 1 30 30 VAL N N 15 117.198 0.300 . 1 . . . . 30 VAL N . 11112 1 274 . 1 1 31 31 PRO HA H 1 4.210 0.030 . 1 . . . . 31 PRO HA . 11112 1 275 . 1 1 31 31 PRO HB2 H 1 2.757 0.030 . 2 . . . . 31 PRO HB2 . 11112 1 276 . 1 1 31 31 PRO HB3 H 1 1.902 0.030 . 2 . . . . 31 PRO HB3 . 11112 1 277 . 1 1 31 31 PRO HD2 H 1 3.587 0.030 . 2 . . . . 31 PRO HD2 . 11112 1 278 . 1 1 31 31 PRO HD3 H 1 4.598 0.030 . 2 . . . . 31 PRO HD3 . 11112 1 279 . 1 1 31 31 PRO HG2 H 1 1.727 0.030 . 2 . . . . 31 PRO HG2 . 11112 1 280 . 1 1 31 31 PRO HG3 H 1 1.970 0.030 . 2 . . . . 31 PRO HG3 . 11112 1 281 . 1 1 31 31 PRO C C 13 174.490 0.300 . 1 . . . . 31 PRO C . 11112 1 282 . 1 1 31 31 PRO CA C 13 63.600 0.300 . 1 . . . . 31 PRO CA . 11112 1 283 . 1 1 31 31 PRO CB C 13 31.409 0.300 . 1 . . . . 31 PRO CB . 11112 1 284 . 1 1 31 31 PRO CD C 13 50.794 0.300 . 1 . . . . 31 PRO CD . 11112 1 285 . 1 1 31 31 PRO CG C 13 28.970 0.300 . 1 . . . . 31 PRO CG . 11112 1 286 . 1 1 32 32 SER H H 1 7.102 0.030 . 1 . . . . 32 SER H . 11112 1 287 . 1 1 32 32 SER HA H 1 4.307 0.030 . 1 . . . . 32 SER HA . 11112 1 288 . 1 1 32 32 SER HB2 H 1 3.911 0.030 . 2 . . . . 32 SER HB2 . 11112 1 289 . 1 1 32 32 SER HB3 H 1 4.144 0.030 . 2 . . . . 32 SER HB3 . 11112 1 290 . 1 1 32 32 SER C C 13 174.408 0.300 . 1 . . . . 32 SER C . 11112 1 291 . 1 1 32 32 SER CA C 13 61.008 0.300 . 1 . . . . 32 SER CA . 11112 1 292 . 1 1 32 32 SER CB C 13 64.218 0.300 . 1 . . . . 32 SER CB . 11112 1 293 . 1 1 32 32 SER N N 15 113.158 0.300 . 1 . . . . 32 SER N . 11112 1 294 . 1 1 33 33 SER H H 1 7.422 0.030 . 1 . . . . 33 SER H . 11112 1 295 . 1 1 33 33 SER HA H 1 4.413 0.030 . 1 . . . . 33 SER HA . 11112 1 296 . 1 1 33 33 SER HB2 H 1 3.686 0.030 . 2 . . . . 33 SER HB2 . 11112 1 297 . 1 1 33 33 SER HB3 H 1 4.035 0.030 . 2 . . . . 33 SER HB3 . 11112 1 298 . 1 1 33 33 SER C C 13 170.617 0.300 . 1 . . . . 33 SER C . 11112 1 299 . 1 1 33 33 SER CA C 13 58.657 0.300 . 1 . . . . 33 SER CA . 11112 1 300 . 1 1 33 33 SER CB C 13 65.582 0.300 . 1 . . . . 33 SER CB . 11112 1 301 . 1 1 33 33 SER N N 15 111.846 0.300 . 1 . . . . 33 SER N . 11112 1 302 . 1 1 34 34 LEU H H 1 7.915 0.030 . 1 . . . . 34 LEU H . 11112 1 303 . 1 1 34 34 LEU HA H 1 5.056 0.030 . 1 . . . . 34 LEU HA . 11112 1 304 . 1 1 34 34 LEU HB2 H 1 1.718 0.030 . 2 . . . . 34 LEU HB2 . 11112 1 305 . 1 1 34 34 LEU HB3 H 1 1.466 0.030 . 2 . . . . 34 LEU HB3 . 11112 1 306 . 1 1 34 34 LEU HD11 H 1 0.950 0.030 . 1 . . . . 34 LEU HD1 . 11112 1 307 . 1 1 34 34 LEU HD12 H 1 0.950 0.030 . 1 . . . . 34 LEU HD1 . 11112 1 308 . 1 1 34 34 LEU HD13 H 1 0.950 0.030 . 1 . . . . 34 LEU HD1 . 11112 1 309 . 1 1 34 34 LEU HD21 H 1 0.615 0.030 . 1 . . . . 34 LEU HD2 . 11112 1 310 . 1 1 34 34 LEU HD22 H 1 0.615 0.030 . 1 . . . . 34 LEU HD2 . 11112 1 311 . 1 1 34 34 LEU HD23 H 1 0.615 0.030 . 1 . . . . 34 LEU HD2 . 11112 1 312 . 1 1 34 34 LEU HG H 1 1.256 0.030 . 1 . . . . 34 LEU HG . 11112 1 313 . 1 1 34 34 LEU C C 13 173.589 0.300 . 1 . . . . 34 LEU C . 11112 1 314 . 1 1 34 34 LEU CA C 13 54.943 0.300 . 1 . . . . 34 LEU CA . 11112 1 315 . 1 1 34 34 LEU CB C 13 45.489 0.300 . 1 . . . . 34 LEU CB . 11112 1 316 . 1 1 34 34 LEU CD1 C 13 24.090 0.300 . 2 . . . . 34 LEU CD1 . 11112 1 317 . 1 1 34 34 LEU CD2 C 13 27.097 0.300 . 2 . . . . 34 LEU CD2 . 11112 1 318 . 1 1 34 34 LEU CG C 13 28.436 0.300 . 1 . . . . 34 LEU CG . 11112 1 319 . 1 1 34 34 LEU N N 15 118.328 0.300 . 1 . . . . 34 LEU N . 11112 1 320 . 1 1 35 35 HIS H H 1 9.603 0.030 . 1 . . . . 35 HIS H . 11112 1 321 . 1 1 35 35 HIS HA H 1 5.020 0.030 . 1 . . . . 35 HIS HA . 11112 1 322 . 1 1 35 35 HIS HB2 H 1 3.042 0.030 . 2 . . . . 35 HIS HB2 . 11112 1 323 . 1 1 35 35 HIS HB3 H 1 3.009 0.030 . 2 . . . . 35 HIS HB3 . 11112 1 324 . 1 1 35 35 HIS HD2 H 1 6.997 0.030 . 1 . . . . 35 HIS HD2 . 11112 1 325 . 1 1 35 35 HIS HE1 H 1 7.821 0.030 . 1 . . . . 35 HIS HE1 . 11112 1 326 . 1 1 35 35 HIS C C 13 174.013 0.300 . 1 . . . . 35 HIS C . 11112 1 327 . 1 1 35 35 HIS CA C 13 55.065 0.300 . 1 . . . . 35 HIS CA . 11112 1 328 . 1 1 35 35 HIS CB C 13 33.019 0.300 . 1 . . . . 35 HIS CB . 11112 1 329 . 1 1 35 35 HIS CD2 C 13 120.094 0.300 . 1 . . . . 35 HIS CD2 . 11112 1 330 . 1 1 35 35 HIS CE1 C 13 137.816 0.300 . 1 . . . . 35 HIS CE1 . 11112 1 331 . 1 1 35 35 HIS N N 15 126.493 0.300 . 1 . . . . 35 HIS N . 11112 1 332 . 1 1 36 36 VAL H H 1 8.518 0.030 . 1 . . . . 36 VAL H . 11112 1 333 . 1 1 36 36 VAL HA H 1 5.229 0.030 . 1 . . . . 36 VAL HA . 11112 1 334 . 1 1 36 36 VAL HB H 1 1.709 0.030 . 1 . . . . 36 VAL HB . 11112 1 335 . 1 1 36 36 VAL HG11 H 1 0.749 0.030 . 1 . . . . 36 VAL HG1 . 11112 1 336 . 1 1 36 36 VAL HG12 H 1 0.749 0.030 . 1 . . . . 36 VAL HG1 . 11112 1 337 . 1 1 36 36 VAL HG13 H 1 0.749 0.030 . 1 . . . . 36 VAL HG1 . 11112 1 338 . 1 1 36 36 VAL HG21 H 1 0.820 0.030 . 1 . . . . 36 VAL HG2 . 11112 1 339 . 1 1 36 36 VAL HG22 H 1 0.820 0.030 . 1 . . . . 36 VAL HG2 . 11112 1 340 . 1 1 36 36 VAL HG23 H 1 0.820 0.030 . 1 . . . . 36 VAL HG2 . 11112 1 341 . 1 1 36 36 VAL C C 13 174.146 0.300 . 1 . . . . 36 VAL C . 11112 1 342 . 1 1 36 36 VAL CA C 13 58.787 0.300 . 1 . . . . 36 VAL CA . 11112 1 343 . 1 1 36 36 VAL CB C 13 35.184 0.300 . 1 . . . . 36 VAL CB . 11112 1 344 . 1 1 36 36 VAL CG1 C 13 22.807 0.300 . 2 . . . . 36 VAL CG1 . 11112 1 345 . 1 1 36 36 VAL CG2 C 13 19.917 0.300 . 2 . . . . 36 VAL CG2 . 11112 1 346 . 1 1 36 36 VAL N N 15 116.171 0.300 . 1 . . . . 36 VAL N . 11112 1 347 . 1 1 37 37 ARG H H 1 8.738 0.030 . 1 . . . . 37 ARG H . 11112 1 348 . 1 1 37 37 ARG HA H 1 4.996 0.030 . 1 . . . . 37 ARG HA . 11112 1 349 . 1 1 37 37 ARG HB2 H 1 1.921 0.030 . 2 . . . . 37 ARG HB2 . 11112 1 350 . 1 1 37 37 ARG HB3 H 1 1.660 0.030 . 2 . . . . 37 ARG HB3 . 11112 1 351 . 1 1 37 37 ARG HD2 H 1 3.214 0.030 . 2 . . . . 37 ARG HD2 . 11112 1 352 . 1 1 37 37 ARG HD3 H 1 3.129 0.030 . 2 . . . . 37 ARG HD3 . 11112 1 353 . 1 1 37 37 ARG HG2 H 1 1.605 0.030 . 2 . . . . 37 ARG HG2 . 11112 1 354 . 1 1 37 37 ARG HG3 H 1 1.393 0.030 . 2 . . . . 37 ARG HG3 . 11112 1 355 . 1 1 37 37 ARG C C 13 173.253 0.300 . 1 . . . . 37 ARG C . 11112 1 356 . 1 1 37 37 ARG CA C 13 52.293 0.300 . 1 . . . . 37 ARG CA . 11112 1 357 . 1 1 37 37 ARG CB C 13 33.121 0.300 . 1 . . . . 37 ARG CB . 11112 1 358 . 1 1 37 37 ARG CD C 13 43.804 0.300 . 1 . . . . 37 ARG CD . 11112 1 359 . 1 1 37 37 ARG CG C 13 27.258 0.300 . 1 . . . . 37 ARG CG . 11112 1 360 . 1 1 37 37 ARG N N 15 124.170 0.300 . 1 . . . . 37 ARG N . 11112 1 361 . 1 1 38 38 PRO HA H 1 4.596 0.030 . 1 . . . . 38 PRO HA . 11112 1 362 . 1 1 38 38 PRO HB2 H 1 2.252 0.030 . 2 . . . . 38 PRO HB2 . 11112 1 363 . 1 1 38 38 PRO HB3 H 1 1.780 0.030 . 2 . . . . 38 PRO HB3 . 11112 1 364 . 1 1 38 38 PRO HD2 H 1 4.043 0.030 . 2 . . . . 38 PRO HD2 . 11112 1 365 . 1 1 38 38 PRO HD3 H 1 3.563 0.030 . 2 . . . . 38 PRO HD3 . 11112 1 366 . 1 1 38 38 PRO HG2 H 1 2.407 0.030 . 2 . . . . 38 PRO HG2 . 11112 1 367 . 1 1 38 38 PRO HG3 H 1 2.130 0.030 . 2 . . . . 38 PRO HG3 . 11112 1 368 . 1 1 38 38 PRO C C 13 175.783 0.300 . 1 . . . . 38 PRO C . 11112 1 369 . 1 1 38 38 PRO CA C 13 62.826 0.300 . 1 . . . . 38 PRO CA . 11112 1 370 . 1 1 38 38 PRO CB C 13 33.286 0.300 . 1 . . . . 38 PRO CB . 11112 1 371 . 1 1 38 38 PRO CD C 13 51.036 0.300 . 1 . . . . 38 PRO CD . 11112 1 372 . 1 1 38 38 PRO CG C 13 27.127 0.300 . 1 . . . . 38 PRO CG . 11112 1 373 . 1 1 39 39 LEU H H 1 8.598 0.030 . 1 . . . . 39 LEU H . 11112 1 374 . 1 1 39 39 LEU HA H 1 4.676 0.030 . 1 . . . . 39 LEU HA . 11112 1 375 . 1 1 39 39 LEU HB2 H 1 1.860 0.030 . 2 . . . . 39 LEU HB2 . 11112 1 376 . 1 1 39 39 LEU HB3 H 1 1.684 0.030 . 2 . . . . 39 LEU HB3 . 11112 1 377 . 1 1 39 39 LEU HD11 H 1 0.826 0.030 . 1 . . . . 39 LEU HD1 . 11112 1 378 . 1 1 39 39 LEU HD12 H 1 0.826 0.030 . 1 . . . . 39 LEU HD1 . 11112 1 379 . 1 1 39 39 LEU HD13 H 1 0.826 0.030 . 1 . . . . 39 LEU HD1 . 11112 1 380 . 1 1 39 39 LEU HD21 H 1 0.793 0.030 . 1 . . . . 39 LEU HD2 . 11112 1 381 . 1 1 39 39 LEU HD22 H 1 0.793 0.030 . 1 . . . . 39 LEU HD2 . 11112 1 382 . 1 1 39 39 LEU HD23 H 1 0.793 0.030 . 1 . . . . 39 LEU HD2 . 11112 1 383 . 1 1 39 39 LEU HG H 1 1.524 0.030 . 1 . . . . 39 LEU HG . 11112 1 384 . 1 1 39 39 LEU C C 13 175.443 0.300 . 1 . . . . 39 LEU C . 11112 1 385 . 1 1 39 39 LEU CA C 13 54.355 0.300 . 1 . . . . 39 LEU CA . 11112 1 386 . 1 1 39 39 LEU CB C 13 39.924 0.300 . 1 . . . . 39 LEU CB . 11112 1 387 . 1 1 39 39 LEU CD1 C 13 24.064 0.300 . 2 . . . . 39 LEU CD1 . 11112 1 388 . 1 1 39 39 LEU CD2 C 13 24.972 0.300 . 2 . . . . 39 LEU CD2 . 11112 1 389 . 1 1 39 39 LEU CG C 13 27.995 0.300 . 1 . . . . 39 LEU CG . 11112 1 390 . 1 1 39 39 LEU N N 15 126.238 0.300 . 1 . . . . 39 LEU N . 11112 1 391 . 1 1 40 40 VAL H H 1 7.764 0.030 . 1 . . . . 40 VAL H . 11112 1 392 . 1 1 40 40 VAL HA H 1 4.276 0.030 . 1 . . . . 40 VAL HA . 11112 1 393 . 1 1 40 40 VAL HB H 1 2.014 0.030 . 1 . . . . 40 VAL HB . 11112 1 394 . 1 1 40 40 VAL HG11 H 1 0.911 0.030 . 1 . . . . 40 VAL HG1 . 11112 1 395 . 1 1 40 40 VAL HG12 H 1 0.911 0.030 . 1 . . . . 40 VAL HG1 . 11112 1 396 . 1 1 40 40 VAL HG13 H 1 0.911 0.030 . 1 . . . . 40 VAL HG1 . 11112 1 397 . 1 1 40 40 VAL HG21 H 1 0.930 0.030 . 1 . . . . 40 VAL HG2 . 11112 1 398 . 1 1 40 40 VAL HG22 H 1 0.930 0.030 . 1 . . . . 40 VAL HG2 . 11112 1 399 . 1 1 40 40 VAL HG23 H 1 0.930 0.030 . 1 . . . . 40 VAL HG2 . 11112 1 400 . 1 1 40 40 VAL C C 13 173.983 0.300 . 1 . . . . 40 VAL C . 11112 1 401 . 1 1 40 40 VAL CA C 13 65.534 0.300 . 1 . . . . 40 VAL CA . 11112 1 402 . 1 1 40 40 VAL CB C 13 32.654 0.300 . 1 . . . . 40 VAL CB . 11112 1 403 . 1 1 40 40 VAL CG1 C 13 21.085 0.300 . 2 . . . . 40 VAL CG1 . 11112 1 404 . 1 1 40 40 VAL CG2 C 13 21.873 0.300 . 2 . . . . 40 VAL CG2 . 11112 1 405 . 1 1 40 40 VAL N N 15 122.133 0.300 . 1 . . . . 40 VAL N . 11112 1 406 . 1 1 41 41 THR H H 1 7.704 0.030 . 1 . . . . 41 THR H . 11112 1 407 . 1 1 41 41 THR HA H 1 4.396 0.030 . 1 . . . . 41 THR HA . 11112 1 408 . 1 1 41 41 THR HB H 1 4.840 0.030 . 1 . . . . 41 THR HB . 11112 1 409 . 1 1 41 41 THR HG21 H 1 1.170 0.030 . 1 . . . . 41 THR HG2 . 11112 1 410 . 1 1 41 41 THR HG22 H 1 1.170 0.030 . 1 . . . . 41 THR HG2 . 11112 1 411 . 1 1 41 41 THR HG23 H 1 1.170 0.030 . 1 . . . . 41 THR HG2 . 11112 1 412 . 1 1 41 41 THR C C 13 173.828 0.300 . 1 . . . . 41 THR C . 11112 1 413 . 1 1 41 41 THR CA C 13 58.866 0.300 . 1 . . . . 41 THR CA . 11112 1 414 . 1 1 41 41 THR CB C 13 69.740 0.300 . 1 . . . . 41 THR CB . 11112 1 415 . 1 1 41 41 THR CG2 C 13 21.530 0.300 . 1 . . . . 41 THR CG2 . 11112 1 416 . 1 1 41 41 THR N N 15 101.375 0.300 . 1 . . . . 41 THR N . 11112 1 417 . 1 1 42 42 SER H H 1 7.104 0.030 . 1 . . . . 42 SER H . 11112 1 418 . 1 1 42 42 SER HA H 1 5.298 0.030 . 1 . . . . 42 SER HA . 11112 1 419 . 1 1 42 42 SER HB2 H 1 3.779 0.030 . 2 . . . . 42 SER HB2 . 11112 1 420 . 1 1 42 42 SER HB3 H 1 3.492 0.030 . 2 . . . . 42 SER HB3 . 11112 1 421 . 1 1 42 42 SER C C 13 172.740 0.300 . 1 . . . . 42 SER C . 11112 1 422 . 1 1 42 42 SER CA C 13 55.602 0.300 . 1 . . . . 42 SER CA . 11112 1 423 . 1 1 42 42 SER CB C 13 66.741 0.300 . 1 . . . . 42 SER CB . 11112 1 424 . 1 1 42 42 SER N N 15 112.462 0.300 . 1 . . . . 42 SER N . 11112 1 425 . 1 1 43 43 ILE H H 1 8.265 0.030 . 1 . . . . 43 ILE H . 11112 1 426 . 1 1 43 43 ILE HA H 1 4.337 0.030 . 1 . . . . 43 ILE HA . 11112 1 427 . 1 1 43 43 ILE HB H 1 1.064 0.030 . 1 . . . . 43 ILE HB . 11112 1 428 . 1 1 43 43 ILE HD11 H 1 0.393 0.030 . 1 . . . . 43 ILE HD1 . 11112 1 429 . 1 1 43 43 ILE HD12 H 1 0.393 0.030 . 1 . . . . 43 ILE HD1 . 11112 1 430 . 1 1 43 43 ILE HD13 H 1 0.393 0.030 . 1 . . . . 43 ILE HD1 . 11112 1 431 . 1 1 43 43 ILE HG12 H 1 1.235 0.030 . 2 . . . . 43 ILE HG12 . 11112 1 432 . 1 1 43 43 ILE HG13 H 1 0.448 0.030 . 2 . . . . 43 ILE HG13 . 11112 1 433 . 1 1 43 43 ILE HG21 H 1 0.467 0.030 . 1 . . . . 43 ILE HG2 . 11112 1 434 . 1 1 43 43 ILE HG22 H 1 0.467 0.030 . 1 . . . . 43 ILE HG2 . 11112 1 435 . 1 1 43 43 ILE HG23 H 1 0.467 0.030 . 1 . . . . 43 ILE HG2 . 11112 1 436 . 1 1 43 43 ILE C C 13 173.903 0.300 . 1 . . . . 43 ILE C . 11112 1 437 . 1 1 43 43 ILE CA C 13 60.745 0.300 . 1 . . . . 43 ILE CA . 11112 1 438 . 1 1 43 43 ILE CB C 13 44.046 0.300 . 1 . . . . 43 ILE CB . 11112 1 439 . 1 1 43 43 ILE CD1 C 13 15.096 0.300 . 1 . . . . 43 ILE CD1 . 11112 1 440 . 1 1 43 43 ILE CG1 C 13 28.822 0.300 . 1 . . . . 43 ILE CG1 . 11112 1 441 . 1 1 43 43 ILE CG2 C 13 17.811 0.300 . 1 . . . . 43 ILE CG2 . 11112 1 442 . 1 1 43 43 ILE N N 15 117.707 0.300 . 1 . . . . 43 ILE N . 11112 1 443 . 1 1 44 44 VAL H H 1 8.554 0.030 . 1 . . . . 44 VAL H . 11112 1 444 . 1 1 44 44 VAL HA H 1 4.382 0.030 . 1 . . . . 44 VAL HA . 11112 1 445 . 1 1 44 44 VAL HB H 1 2.014 0.030 . 1 . . . . 44 VAL HB . 11112 1 446 . 1 1 44 44 VAL HG11 H 1 0.803 0.030 . 1 . . . . 44 VAL HG1 . 11112 1 447 . 1 1 44 44 VAL HG12 H 1 0.803 0.030 . 1 . . . . 44 VAL HG1 . 11112 1 448 . 1 1 44 44 VAL HG13 H 1 0.803 0.030 . 1 . . . . 44 VAL HG1 . 11112 1 449 . 1 1 44 44 VAL HG21 H 1 0.938 0.030 . 1 . . . . 44 VAL HG2 . 11112 1 450 . 1 1 44 44 VAL HG22 H 1 0.938 0.030 . 1 . . . . 44 VAL HG2 . 11112 1 451 . 1 1 44 44 VAL HG23 H 1 0.938 0.030 . 1 . . . . 44 VAL HG2 . 11112 1 452 . 1 1 44 44 VAL C C 13 175.622 0.300 . 1 . . . . 44 VAL C . 11112 1 453 . 1 1 44 44 VAL CA C 13 62.687 0.300 . 1 . . . . 44 VAL CA . 11112 1 454 . 1 1 44 44 VAL CB C 13 32.655 0.300 . 1 . . . . 44 VAL CB . 11112 1 455 . 1 1 44 44 VAL CG1 C 13 20.896 0.300 . 2 . . . . 44 VAL CG1 . 11112 1 456 . 1 1 44 44 VAL CG2 C 13 20.443 0.300 . 2 . . . . 44 VAL CG2 . 11112 1 457 . 1 1 44 44 VAL N N 15 127.131 0.300 . 1 . . . . 44 VAL N . 11112 1 458 . 1 1 45 45 VAL H H 1 9.510 0.030 . 1 . . . . 45 VAL H . 11112 1 459 . 1 1 45 45 VAL HA H 1 4.903 0.030 . 1 . . . . 45 VAL HA . 11112 1 460 . 1 1 45 45 VAL HB H 1 2.451 0.030 . 1 . . . . 45 VAL HB . 11112 1 461 . 1 1 45 45 VAL HG11 H 1 1.090 0.030 . 1 . . . . 45 VAL HG1 . 11112 1 462 . 1 1 45 45 VAL HG12 H 1 1.090 0.030 . 1 . . . . 45 VAL HG1 . 11112 1 463 . 1 1 45 45 VAL HG13 H 1 1.090 0.030 . 1 . . . . 45 VAL HG1 . 11112 1 464 . 1 1 45 45 VAL HG21 H 1 1.035 0.030 . 1 . . . . 45 VAL HG2 . 11112 1 465 . 1 1 45 45 VAL HG22 H 1 1.035 0.030 . 1 . . . . 45 VAL HG2 . 11112 1 466 . 1 1 45 45 VAL HG23 H 1 1.035 0.030 . 1 . . . . 45 VAL HG2 . 11112 1 467 . 1 1 45 45 VAL C C 13 174.054 0.300 . 1 . . . . 45 VAL C . 11112 1 468 . 1 1 45 45 VAL CA C 13 61.264 0.300 . 1 . . . . 45 VAL CA . 11112 1 469 . 1 1 45 45 VAL CB C 13 34.056 0.300 . 1 . . . . 45 VAL CB . 11112 1 470 . 1 1 45 45 VAL CG1 C 13 22.641 0.300 . 2 . . . . 45 VAL CG1 . 11112 1 471 . 1 1 45 45 VAL CG2 C 13 22.402 0.300 . 2 . . . . 45 VAL CG2 . 11112 1 472 . 1 1 45 45 VAL N N 15 132.649 0.300 . 1 . . . . 45 VAL N . 11112 1 473 . 1 1 46 46 SER H H 1 9.451 0.030 . 1 . . . . 46 SER H . 11112 1 474 . 1 1 46 46 SER HA H 1 5.249 0.030 . 1 . . . . 46 SER HA . 11112 1 475 . 1 1 46 46 SER HB2 H 1 3.705 0.030 . 1 . . . . 46 SER HB2 . 11112 1 476 . 1 1 46 46 SER HB3 H 1 3.705 0.030 . 1 . . . . 46 SER HB3 . 11112 1 477 . 1 1 46 46 SER C C 13 173.114 0.300 . 1 . . . . 46 SER C . 11112 1 478 . 1 1 46 46 SER CA C 13 57.562 0.300 . 1 . . . . 46 SER CA . 11112 1 479 . 1 1 46 46 SER CB C 13 66.134 0.300 . 1 . . . . 46 SER CB . 11112 1 480 . 1 1 46 46 SER N N 15 119.316 0.300 . 1 . . . . 46 SER N . 11112 1 481 . 1 1 47 47 TRP H H 1 7.914 0.030 . 1 . . . . 47 TRP H . 11112 1 482 . 1 1 47 47 TRP HA H 1 5.118 0.030 . 1 . . . . 47 TRP HA . 11112 1 483 . 1 1 47 47 TRP HB2 H 1 3.328 0.030 . 2 . . . . 47 TRP HB2 . 11112 1 484 . 1 1 47 47 TRP HB3 H 1 3.253 0.030 . 2 . . . . 47 TRP HB3 . 11112 1 485 . 1 1 47 47 TRP HD1 H 1 5.945 0.030 . 1 . . . . 47 TRP HD1 . 11112 1 486 . 1 1 47 47 TRP HE1 H 1 6.571 0.030 . 1 . . . . 47 TRP HE1 . 11112 1 487 . 1 1 47 47 TRP HE3 H 1 6.800 0.030 . 1 . . . . 47 TRP HE3 . 11112 1 488 . 1 1 47 47 TRP HH2 H 1 6.508 0.030 . 1 . . . . 47 TRP HH2 . 11112 1 489 . 1 1 47 47 TRP HZ2 H 1 6.507 0.030 . 1 . . . . 47 TRP HZ2 . 11112 1 490 . 1 1 47 47 TRP HZ3 H 1 6.567 0.030 . 1 . . . . 47 TRP HZ3 . 11112 1 491 . 1 1 47 47 TRP C C 13 174.024 0.300 . 1 . . . . 47 TRP C . 11112 1 492 . 1 1 47 47 TRP CA C 13 57.177 0.300 . 1 . . . . 47 TRP CA . 11112 1 493 . 1 1 47 47 TRP CB C 13 32.456 0.300 . 1 . . . . 47 TRP CB . 11112 1 494 . 1 1 47 47 TRP CD1 C 13 124.405 0.300 . 1 . . . . 47 TRP CD1 . 11112 1 495 . 1 1 47 47 TRP CE3 C 13 120.624 0.300 . 1 . . . . 47 TRP CE3 . 11112 1 496 . 1 1 47 47 TRP CH2 C 13 122.928 0.300 . 1 . . . . 47 TRP CH2 . 11112 1 497 . 1 1 47 47 TRP CZ2 C 13 113.473 0.300 . 1 . . . . 47 TRP CZ2 . 11112 1 498 . 1 1 47 47 TRP CZ3 C 13 120.606 0.300 . 1 . . . . 47 TRP CZ3 . 11112 1 499 . 1 1 47 47 TRP N N 15 119.023 0.300 . 1 . . . . 47 TRP N . 11112 1 500 . 1 1 47 47 TRP NE1 N 15 124.248 0.300 . 1 . . . . 47 TRP NE1 . 11112 1 501 . 1 1 48 48 THR H H 1 7.360 0.030 . 1 . . . . 48 THR H . 11112 1 502 . 1 1 48 48 THR HA H 1 4.367 0.030 . 1 . . . . 48 THR HA . 11112 1 503 . 1 1 48 48 THR HB H 1 4.354 0.030 . 1 . . . . 48 THR HB . 11112 1 504 . 1 1 48 48 THR HG21 H 1 1.120 0.030 . 1 . . . . 48 THR HG2 . 11112 1 505 . 1 1 48 48 THR HG22 H 1 1.120 0.030 . 1 . . . . 48 THR HG2 . 11112 1 506 . 1 1 48 48 THR HG23 H 1 1.120 0.030 . 1 . . . . 48 THR HG2 . 11112 1 507 . 1 1 48 48 THR C C 13 172.343 0.300 . 1 . . . . 48 THR C . 11112 1 508 . 1 1 48 48 THR CA C 13 57.869 0.300 . 1 . . . . 48 THR CA . 11112 1 509 . 1 1 48 48 THR CB C 13 69.763 0.300 . 1 . . . . 48 THR CB . 11112 1 510 . 1 1 48 48 THR CG2 C 13 22.640 0.300 . 1 . . . . 48 THR CG2 . 11112 1 511 . 1 1 48 48 THR N N 15 106.826 0.300 . 1 . . . . 48 THR N . 11112 1 512 . 1 1 49 49 PRO HA H 1 5.207 0.030 . 1 . . . . 49 PRO HA . 11112 1 513 . 1 1 49 49 PRO HB2 H 1 2.624 0.030 . 2 . . . . 49 PRO HB2 . 11112 1 514 . 1 1 49 49 PRO HB3 H 1 1.998 0.030 . 2 . . . . 49 PRO HB3 . 11112 1 515 . 1 1 49 49 PRO HD2 H 1 3.699 0.030 . 2 . . . . 49 PRO HD2 . 11112 1 516 . 1 1 49 49 PRO HD3 H 1 3.573 0.030 . 2 . . . . 49 PRO HD3 . 11112 1 517 . 1 1 49 49 PRO HG2 H 1 2.161 0.030 . 2 . . . . 49 PRO HG2 . 11112 1 518 . 1 1 49 49 PRO HG3 H 1 2.010 0.030 . 2 . . . . 49 PRO HG3 . 11112 1 519 . 1 1 49 49 PRO CA C 13 62.349 0.300 . 1 . . . . 49 PRO CA . 11112 1 520 . 1 1 49 49 PRO CB C 13 31.102 0.300 . 1 . . . . 49 PRO CB . 11112 1 521 . 1 1 49 49 PRO CD C 13 51.401 0.300 . 1 . . . . 49 PRO CD . 11112 1 522 . 1 1 49 49 PRO CG C 13 27.608 0.300 . 1 . . . . 49 PRO CG . 11112 1 523 . 1 1 50 50 PRO HA H 1 4.683 0.030 . 1 . . . . 50 PRO HA . 11112 1 524 . 1 1 50 50 PRO HB2 H 1 2.234 0.030 . 2 . . . . 50 PRO HB2 . 11112 1 525 . 1 1 50 50 PRO HB3 H 1 1.779 0.030 . 2 . . . . 50 PRO HB3 . 11112 1 526 . 1 1 50 50 PRO HD2 H 1 4.064 0.030 . 2 . . . . 50 PRO HD2 . 11112 1 527 . 1 1 50 50 PRO HD3 H 1 3.815 0.030 . 2 . . . . 50 PRO HD3 . 11112 1 528 . 1 1 50 50 PRO HG2 H 1 1.701 0.030 . 2 . . . . 50 PRO HG2 . 11112 1 529 . 1 1 50 50 PRO HG3 H 1 1.874 0.030 . 2 . . . . 50 PRO HG3 . 11112 1 530 . 1 1 50 50 PRO C C 13 176.147 0.300 . 1 . . . . 50 PRO C . 11112 1 531 . 1 1 50 50 PRO CA C 13 63.241 0.300 . 1 . . . . 50 PRO CA . 11112 1 532 . 1 1 50 50 PRO CB C 13 32.831 0.300 . 1 . . . . 50 PRO CB . 11112 1 533 . 1 1 50 50 PRO CD C 13 51.172 0.300 . 1 . . . . 50 PRO CD . 11112 1 534 . 1 1 50 50 PRO CG C 13 27.882 0.300 . 1 . . . . 50 PRO CG . 11112 1 535 . 1 1 51 51 GLU H H 1 8.837 0.030 . 1 . . . . 51 GLU H . 11112 1 536 . 1 1 51 51 GLU HA H 1 3.992 0.030 . 1 . . . . 51 GLU HA . 11112 1 537 . 1 1 51 51 GLU HB2 H 1 2.041 0.030 . 1 . . . . 51 GLU HB2 . 11112 1 538 . 1 1 51 51 GLU HB3 H 1 2.041 0.030 . 1 . . . . 51 GLU HB3 . 11112 1 539 . 1 1 51 51 GLU HG2 H 1 2.358 0.030 . 2 . . . . 51 GLU HG2 . 11112 1 540 . 1 1 51 51 GLU HG3 H 1 2.283 0.030 . 2 . . . . 51 GLU HG3 . 11112 1 541 . 1 1 51 51 GLU C C 13 177.189 0.300 . 1 . . . . 51 GLU C . 11112 1 542 . 1 1 51 51 GLU CA C 13 59.093 0.300 . 1 . . . . 51 GLU CA . 11112 1 543 . 1 1 51 51 GLU CB C 13 30.102 0.300 . 1 . . . . 51 GLU CB . 11112 1 544 . 1 1 51 51 GLU CG C 13 36.565 0.300 . 1 . . . . 51 GLU CG . 11112 1 545 . 1 1 51 51 GLU N N 15 123.849 0.300 . 1 . . . . 51 GLU N . 11112 1 546 . 1 1 52 52 ASN H H 1 8.731 0.030 . 1 . . . . 52 ASN H . 11112 1 547 . 1 1 52 52 ASN HA H 1 4.638 0.030 . 1 . . . . 52 ASN HA . 11112 1 548 . 1 1 52 52 ASN HB2 H 1 2.932 0.030 . 2 . . . . 52 ASN HB2 . 11112 1 549 . 1 1 52 52 ASN HB3 H 1 2.816 0.030 . 2 . . . . 52 ASN HB3 . 11112 1 550 . 1 1 52 52 ASN HD21 H 1 7.827 0.030 . 2 . . . . 52 ASN HD21 . 11112 1 551 . 1 1 52 52 ASN HD22 H 1 7.114 0.030 . 2 . . . . 52 ASN HD22 . 11112 1 552 . 1 1 52 52 ASN C C 13 175.985 0.300 . 1 . . . . 52 ASN C . 11112 1 553 . 1 1 52 52 ASN CA C 13 52.904 0.300 . 1 . . . . 52 ASN CA . 11112 1 554 . 1 1 52 52 ASN CB C 13 37.186 0.300 . 1 . . . . 52 ASN CB . 11112 1 555 . 1 1 52 52 ASN N N 15 115.409 0.300 . 1 . . . . 52 ASN N . 11112 1 556 . 1 1 52 52 ASN ND2 N 15 111.503 0.300 . 1 . . . . 52 ASN ND2 . 11112 1 557 . 1 1 53 53 GLN H H 1 8.740 0.030 . 1 . . . . 53 GLN H . 11112 1 558 . 1 1 53 53 GLN HA H 1 4.312 0.030 . 1 . . . . 53 GLN HA . 11112 1 559 . 1 1 53 53 GLN HB2 H 1 2.337 0.030 . 2 . . . . 53 GLN HB2 . 11112 1 560 . 1 1 53 53 GLN HB3 H 1 1.938 0.030 . 2 . . . . 53 GLN HB3 . 11112 1 561 . 1 1 53 53 GLN HE21 H 1 7.653 0.030 . 2 . . . . 53 GLN HE21 . 11112 1 562 . 1 1 53 53 GLN HE22 H 1 6.788 0.030 . 2 . . . . 53 GLN HE22 . 11112 1 563 . 1 1 53 53 GLN HG2 H 1 2.518 0.030 . 2 . . . . 53 GLN HG2 . 11112 1 564 . 1 1 53 53 GLN HG3 H 1 2.390 0.030 . 2 . . . . 53 GLN HG3 . 11112 1 565 . 1 1 53 53 GLN C C 13 175.884 0.300 . 1 . . . . 53 GLN C . 11112 1 566 . 1 1 53 53 GLN CA C 13 56.337 0.300 . 1 . . . . 53 GLN CA . 11112 1 567 . 1 1 53 53 GLN CB C 13 28.745 0.300 . 1 . . . . 53 GLN CB . 11112 1 568 . 1 1 53 53 GLN CG C 13 34.250 0.300 . 1 . . . . 53 GLN CG . 11112 1 569 . 1 1 53 53 GLN N N 15 125.270 0.300 . 1 . . . . 53 GLN N . 11112 1 570 . 1 1 53 53 GLN NE2 N 15 112.682 0.300 . 1 . . . . 53 GLN NE2 . 11112 1 571 . 1 1 54 54 ASN H H 1 8.480 0.030 . 1 . . . . 54 ASN H . 11112 1 572 . 1 1 54 54 ASN HA H 1 4.663 0.030 . 1 . . . . 54 ASN HA . 11112 1 573 . 1 1 54 54 ASN HB2 H 1 2.897 0.030 . 1 . . . . 54 ASN HB2 . 11112 1 574 . 1 1 54 54 ASN HB3 H 1 2.897 0.030 . 1 . . . . 54 ASN HB3 . 11112 1 575 . 1 1 54 54 ASN HD21 H 1 7.600 0.030 . 2 . . . . 54 ASN HD21 . 11112 1 576 . 1 1 54 54 ASN HD22 H 1 6.964 0.030 . 2 . . . . 54 ASN HD22 . 11112 1 577 . 1 1 54 54 ASN C C 13 174.084 0.300 . 1 . . . . 54 ASN C . 11112 1 578 . 1 1 54 54 ASN CA C 13 54.869 0.300 . 1 . . . . 54 ASN CA . 11112 1 579 . 1 1 54 54 ASN CB C 13 39.298 0.300 . 1 . . . . 54 ASN CB . 11112 1 580 . 1 1 54 54 ASN N N 15 117.087 0.300 . 1 . . . . 54 ASN N . 11112 1 581 . 1 1 54 54 ASN ND2 N 15 113.158 0.300 . 1 . . . . 54 ASN ND2 . 11112 1 582 . 1 1 55 55 ILE H H 1 6.654 0.030 . 1 . . . . 55 ILE H . 11112 1 583 . 1 1 55 55 ILE HA H 1 4.805 0.030 . 1 . . . . 55 ILE HA . 11112 1 584 . 1 1 55 55 ILE HB H 1 1.662 0.030 . 1 . . . . 55 ILE HB . 11112 1 585 . 1 1 55 55 ILE HD11 H 1 0.836 0.030 . 1 . . . . 55 ILE HD1 . 11112 1 586 . 1 1 55 55 ILE HD12 H 1 0.836 0.030 . 1 . . . . 55 ILE HD1 . 11112 1 587 . 1 1 55 55 ILE HD13 H 1 0.836 0.030 . 1 . . . . 55 ILE HD1 . 11112 1 588 . 1 1 55 55 ILE HG12 H 1 1.445 0.030 . 2 . . . . 55 ILE HG12 . 11112 1 589 . 1 1 55 55 ILE HG13 H 1 0.819 0.030 . 2 . . . . 55 ILE HG13 . 11112 1 590 . 1 1 55 55 ILE HG21 H 1 0.783 0.030 . 1 . . . . 55 ILE HG2 . 11112 1 591 . 1 1 55 55 ILE HG22 H 1 0.783 0.030 . 1 . . . . 55 ILE HG2 . 11112 1 592 . 1 1 55 55 ILE HG23 H 1 0.783 0.030 . 1 . . . . 55 ILE HG2 . 11112 1 593 . 1 1 55 55 ILE C C 13 176.470 0.300 . 1 . . . . 55 ILE C . 11112 1 594 . 1 1 55 55 ILE CA C 13 59.900 0.300 . 1 . . . . 55 ILE CA . 11112 1 595 . 1 1 55 55 ILE CB C 13 39.046 0.300 . 1 . . . . 55 ILE CB . 11112 1 596 . 1 1 55 55 ILE CD1 C 13 13.680 0.300 . 1 . . . . 55 ILE CD1 . 11112 1 597 . 1 1 55 55 ILE CG1 C 13 27.958 0.300 . 1 . . . . 55 ILE CG1 . 11112 1 598 . 1 1 55 55 ILE CG2 C 13 17.087 0.300 . 1 . . . . 55 ILE CG2 . 11112 1 599 . 1 1 55 55 ILE N N 15 117.913 0.300 . 1 . . . . 55 ILE N . 11112 1 600 . 1 1 56 56 VAL H H 1 8.290 0.030 . 1 . . . . 56 VAL H . 11112 1 601 . 1 1 56 56 VAL HA H 1 3.455 0.030 . 1 . . . . 56 VAL HA . 11112 1 602 . 1 1 56 56 VAL HB H 1 1.618 0.030 . 1 . . . . 56 VAL HB . 11112 1 603 . 1 1 56 56 VAL HG11 H 1 0.665 0.030 . 1 . . . . 56 VAL HG1 . 11112 1 604 . 1 1 56 56 VAL HG12 H 1 0.665 0.030 . 1 . . . . 56 VAL HG1 . 11112 1 605 . 1 1 56 56 VAL HG13 H 1 0.665 0.030 . 1 . . . . 56 VAL HG1 . 11112 1 606 . 1 1 56 56 VAL HG21 H 1 0.851 0.030 . 1 . . . . 56 VAL HG2 . 11112 1 607 . 1 1 56 56 VAL HG22 H 1 0.851 0.030 . 1 . . . . 56 VAL HG2 . 11112 1 608 . 1 1 56 56 VAL HG23 H 1 0.851 0.030 . 1 . . . . 56 VAL HG2 . 11112 1 609 . 1 1 56 56 VAL C C 13 174.196 0.300 . 1 . . . . 56 VAL C . 11112 1 610 . 1 1 56 56 VAL CA C 13 64.387 0.300 . 1 . . . . 56 VAL CA . 11112 1 611 . 1 1 56 56 VAL CB C 13 33.601 0.300 . 1 . . . . 56 VAL CB . 11112 1 612 . 1 1 56 56 VAL CG1 C 13 20.878 0.300 . 2 . . . . 56 VAL CG1 . 11112 1 613 . 1 1 56 56 VAL CG2 C 13 24.019 0.300 . 2 . . . . 56 VAL CG2 . 11112 1 614 . 1 1 56 56 VAL N N 15 128.518 0.300 . 1 . . . . 56 VAL N . 11112 1 615 . 1 1 57 57 VAL H H 1 7.704 0.030 . 1 . . . . 57 VAL H . 11112 1 616 . 1 1 57 57 VAL HA H 1 3.852 0.030 . 1 . . . . 57 VAL HA . 11112 1 617 . 1 1 57 57 VAL HB H 1 1.954 0.030 . 1 . . . . 57 VAL HB . 11112 1 618 . 1 1 57 57 VAL HG11 H 1 0.597 0.030 . 1 . . . . 57 VAL HG1 . 11112 1 619 . 1 1 57 57 VAL HG12 H 1 0.597 0.030 . 1 . . . . 57 VAL HG1 . 11112 1 620 . 1 1 57 57 VAL HG13 H 1 0.597 0.030 . 1 . . . . 57 VAL HG1 . 11112 1 621 . 1 1 57 57 VAL HG21 H 1 0.837 0.030 . 1 . . . . 57 VAL HG2 . 11112 1 622 . 1 1 57 57 VAL HG22 H 1 0.837 0.030 . 1 . . . . 57 VAL HG2 . 11112 1 623 . 1 1 57 57 VAL HG23 H 1 0.837 0.030 . 1 . . . . 57 VAL HG2 . 11112 1 624 . 1 1 57 57 VAL C C 13 175.622 0.300 . 1 . . . . 57 VAL C . 11112 1 625 . 1 1 57 57 VAL CA C 13 62.081 0.300 . 1 . . . . 57 VAL CA . 11112 1 626 . 1 1 57 57 VAL CB C 13 34.638 0.300 . 1 . . . . 57 VAL CB . 11112 1 627 . 1 1 57 57 VAL CG1 C 13 22.170 0.300 . 2 . . . . 57 VAL CG1 . 11112 1 628 . 1 1 57 57 VAL CG2 C 13 21.963 0.300 . 2 . . . . 57 VAL CG2 . 11112 1 629 . 1 1 57 57 VAL N N 15 125.402 0.300 . 1 . . . . 57 VAL N . 11112 1 630 . 1 1 58 58 ARG H H 1 8.904 0.030 . 1 . . . . 58 ARG H . 11112 1 631 . 1 1 58 58 ARG HA H 1 4.376 0.030 . 1 . . . . 58 ARG HA . 11112 1 632 . 1 1 58 58 ARG HB2 H 1 1.921 0.030 . 2 . . . . 58 ARG HB2 . 11112 1 633 . 1 1 58 58 ARG HB3 H 1 1.572 0.030 . 2 . . . . 58 ARG HB3 . 11112 1 634 . 1 1 58 58 ARG HD2 H 1 2.981 0.030 . 2 . . . . 58 ARG HD2 . 11112 1 635 . 1 1 58 58 ARG HD3 H 1 3.084 0.030 . 2 . . . . 58 ARG HD3 . 11112 1 636 . 1 1 58 58 ARG HE H 1 9.219 0.030 . 1 . . . . 58 ARG HE . 11112 1 637 . 1 1 58 58 ARG HG2 H 1 1.391 0.030 . 2 . . . . 58 ARG HG2 . 11112 1 638 . 1 1 58 58 ARG HG3 H 1 1.610 0.030 . 2 . . . . 58 ARG HG3 . 11112 1 639 . 1 1 58 58 ARG C C 13 176.915 0.300 . 1 . . . . 58 ARG C . 11112 1 640 . 1 1 58 58 ARG CA C 13 55.356 0.300 . 1 . . . . 58 ARG CA . 11112 1 641 . 1 1 58 58 ARG CB C 13 31.012 0.300 . 1 . . . . 58 ARG CB . 11112 1 642 . 1 1 58 58 ARG CD C 13 42.747 0.300 . 1 . . . . 58 ARG CD . 11112 1 643 . 1 1 58 58 ARG CG C 13 27.318 0.300 . 1 . . . . 58 ARG CG . 11112 1 644 . 1 1 58 58 ARG N N 15 121.556 0.300 . 1 . . . . 58 ARG N . 11112 1 645 . 1 1 58 58 ARG NE N 15 86.176 0.300 . 1 . . . . 58 ARG NE . 11112 1 646 . 1 1 59 59 GLY H H 1 6.889 0.030 . 1 . . . . 59 GLY H . 11112 1 647 . 1 1 59 59 GLY HA2 H 1 3.764 0.030 . 2 . . . . 59 GLY HA2 . 11112 1 648 . 1 1 59 59 GLY HA3 H 1 3.365 0.030 . 2 . . . . 59 GLY HA3 . 11112 1 649 . 1 1 59 59 GLY C C 13 168.393 0.300 . 1 . . . . 59 GLY C . 11112 1 650 . 1 1 59 59 GLY CA C 13 45.410 0.300 . 1 . . . . 59 GLY CA . 11112 1 651 . 1 1 59 59 GLY N N 15 108.152 0.300 . 1 . . . . 59 GLY N . 11112 1 652 . 1 1 60 60 TYR H H 1 8.402 0.030 . 1 . . . . 60 TYR H . 11112 1 653 . 1 1 60 60 TYR HA H 1 5.047 0.030 . 1 . . . . 60 TYR HA . 11112 1 654 . 1 1 60 60 TYR HB2 H 1 2.143 0.030 . 2 . . . . 60 TYR HB2 . 11112 1 655 . 1 1 60 60 TYR HB3 H 1 2.101 0.030 . 2 . . . . 60 TYR HB3 . 11112 1 656 . 1 1 60 60 TYR HD1 H 1 6.754 0.030 . 1 . . . . 60 TYR HD1 . 11112 1 657 . 1 1 60 60 TYR HD2 H 1 6.754 0.030 . 1 . . . . 60 TYR HD2 . 11112 1 658 . 1 1 60 60 TYR C C 13 173.751 0.300 . 1 . . . . 60 TYR C . 11112 1 659 . 1 1 60 60 TYR CA C 13 56.411 0.300 . 1 . . . . 60 TYR CA . 11112 1 660 . 1 1 60 60 TYR CB C 13 41.435 0.300 . 1 . . . . 60 TYR CB . 11112 1 661 . 1 1 60 60 TYR N N 15 114.320 0.300 . 1 . . . . 60 TYR N . 11112 1 662 . 1 1 61 61 ALA H H 1 9.452 0.030 . 1 . . . . 61 ALA H . 11112 1 663 . 1 1 61 61 ALA HA H 1 5.333 0.030 . 1 . . . . 61 ALA HA . 11112 1 664 . 1 1 61 61 ALA HB1 H 1 1.127 0.030 . 1 . . . . 61 ALA HB . 11112 1 665 . 1 1 61 61 ALA HB2 H 1 1.127 0.030 . 1 . . . . 61 ALA HB . 11112 1 666 . 1 1 61 61 ALA HB3 H 1 1.127 0.030 . 1 . . . . 61 ALA HB . 11112 1 667 . 1 1 61 61 ALA C C 13 176.278 0.300 . 1 . . . . 61 ALA C . 11112 1 668 . 1 1 61 61 ALA CA C 13 49.853 0.300 . 1 . . . . 61 ALA CA . 11112 1 669 . 1 1 61 61 ALA CB C 13 20.806 0.300 . 1 . . . . 61 ALA CB . 11112 1 670 . 1 1 61 61 ALA N N 15 124.208 0.300 . 1 . . . . 61 ALA N . 11112 1 671 . 1 1 62 62 ILE H H 1 9.575 0.030 . 1 . . . . 62 ILE H . 11112 1 672 . 1 1 62 62 ILE HA H 1 4.857 0.030 . 1 . . . . 62 ILE HA . 11112 1 673 . 1 1 62 62 ILE HB H 1 1.625 0.030 . 1 . . . . 62 ILE HB . 11112 1 674 . 1 1 62 62 ILE HD11 H 1 0.421 0.030 . 1 . . . . 62 ILE HD1 . 11112 1 675 . 1 1 62 62 ILE HD12 H 1 0.421 0.030 . 1 . . . . 62 ILE HD1 . 11112 1 676 . 1 1 62 62 ILE HD13 H 1 0.421 0.030 . 1 . . . . 62 ILE HD1 . 11112 1 677 . 1 1 62 62 ILE HG12 H 1 1.092 0.030 . 2 . . . . 62 ILE HG12 . 11112 1 678 . 1 1 62 62 ILE HG13 H 1 0.500 0.030 . 2 . . . . 62 ILE HG13 . 11112 1 679 . 1 1 62 62 ILE HG21 H 1 0.820 0.030 . 1 . . . . 62 ILE HG2 . 11112 1 680 . 1 1 62 62 ILE HG22 H 1 0.820 0.030 . 1 . . . . 62 ILE HG2 . 11112 1 681 . 1 1 62 62 ILE HG23 H 1 0.820 0.030 . 1 . . . . 62 ILE HG2 . 11112 1 682 . 1 1 62 62 ILE C C 13 174.682 0.300 . 1 . . . . 62 ILE C . 11112 1 683 . 1 1 62 62 ILE CA C 13 60.037 0.300 . 1 . . . . 62 ILE CA . 11112 1 684 . 1 1 62 62 ILE CB C 13 39.952 0.300 . 1 . . . . 62 ILE CB . 11112 1 685 . 1 1 62 62 ILE CD1 C 13 14.964 0.300 . 1 . . . . 62 ILE CD1 . 11112 1 686 . 1 1 62 62 ILE CG1 C 13 28.174 0.300 . 1 . . . . 62 ILE CG1 . 11112 1 687 . 1 1 62 62 ILE CG2 C 13 18.034 0.300 . 1 . . . . 62 ILE CG2 . 11112 1 688 . 1 1 62 62 ILE N N 15 128.492 0.300 . 1 . . . . 62 ILE N . 11112 1 689 . 1 1 63 63 GLY H H 1 9.090 0.030 . 1 . . . . 63 GLY H . 11112 1 690 . 1 1 63 63 GLY HA2 H 1 5.409 0.030 . 2 . . . . 63 GLY HA2 . 11112 1 691 . 1 1 63 63 GLY HA3 H 1 3.468 0.030 . 2 . . . . 63 GLY HA3 . 11112 1 692 . 1 1 63 63 GLY C C 13 173.023 0.300 . 1 . . . . 63 GLY C . 11112 1 693 . 1 1 63 63 GLY CA C 13 43.766 0.300 . 1 . . . . 63 GLY CA . 11112 1 694 . 1 1 63 63 GLY N N 15 117.439 0.300 . 1 . . . . 63 GLY N . 11112 1 695 . 1 1 64 64 TYR H H 1 8.292 0.030 . 1 . . . . 64 TYR H . 11112 1 696 . 1 1 64 64 TYR HA H 1 6.176 0.030 . 1 . . . . 64 TYR HA . 11112 1 697 . 1 1 64 64 TYR HB2 H 1 3.144 0.030 . 2 . . . . 64 TYR HB2 . 11112 1 698 . 1 1 64 64 TYR HB3 H 1 2.686 0.030 . 2 . . . . 64 TYR HB3 . 11112 1 699 . 1 1 64 64 TYR HD1 H 1 6.708 0.030 . 1 . . . . 64 TYR HD1 . 11112 1 700 . 1 1 64 64 TYR HD2 H 1 6.708 0.030 . 1 . . . . 64 TYR HD2 . 11112 1 701 . 1 1 64 64 TYR HE1 H 1 6.606 0.030 . 1 . . . . 64 TYR HE1 . 11112 1 702 . 1 1 64 64 TYR HE2 H 1 6.606 0.030 . 1 . . . . 64 TYR HE2 . 11112 1 703 . 1 1 64 64 TYR C C 13 174.451 0.300 . 1 . . . . 64 TYR C . 11112 1 704 . 1 1 64 64 TYR CA C 13 56.168 0.300 . 1 . . . . 64 TYR CA . 11112 1 705 . 1 1 64 64 TYR CB C 13 42.238 0.300 . 1 . . . . 64 TYR CB . 11112 1 706 . 1 1 64 64 TYR CD1 C 13 133.068 0.300 . 1 . . . . 64 TYR CD1 . 11112 1 707 . 1 1 64 64 TYR CD2 C 13 133.068 0.300 . 1 . . . . 64 TYR CD2 . 11112 1 708 . 1 1 64 64 TYR CE1 C 13 118.636 0.300 . 1 . . . . 64 TYR CE1 . 11112 1 709 . 1 1 64 64 TYR CE2 C 13 118.636 0.300 . 1 . . . . 64 TYR CE2 . 11112 1 710 . 1 1 64 64 TYR N N 15 116.179 0.300 . 1 . . . . 64 TYR N . 11112 1 711 . 1 1 65 65 GLY H H 1 7.959 0.030 . 1 . . . . 65 GLY H . 11112 1 712 . 1 1 65 65 GLY HA2 H 1 4.150 0.030 . 2 . . . . 65 GLY HA2 . 11112 1 713 . 1 1 65 65 GLY HA3 H 1 4.534 0.030 . 2 . . . . 65 GLY HA3 . 11112 1 714 . 1 1 65 65 GLY C C 13 172.306 0.300 . 1 . . . . 65 GLY C . 11112 1 715 . 1 1 65 65 GLY CA C 13 45.785 0.300 . 1 . . . . 65 GLY CA . 11112 1 716 . 1 1 65 65 GLY N N 15 104.650 0.300 . 1 . . . . 65 GLY N . 11112 1 717 . 1 1 66 66 ILE H H 1 8.502 0.030 . 1 . . . . 66 ILE H . 11112 1 718 . 1 1 66 66 ILE HA H 1 4.129 0.030 . 1 . . . . 66 ILE HA . 11112 1 719 . 1 1 66 66 ILE HB H 1 1.693 0.030 . 1 . . . . 66 ILE HB . 11112 1 720 . 1 1 66 66 ILE HD11 H 1 0.761 0.030 . 1 . . . . 66 ILE HD1 . 11112 1 721 . 1 1 66 66 ILE HD12 H 1 0.761 0.030 . 1 . . . . 66 ILE HD1 . 11112 1 722 . 1 1 66 66 ILE HD13 H 1 0.761 0.030 . 1 . . . . 66 ILE HD1 . 11112 1 723 . 1 1 66 66 ILE HG12 H 1 1.347 0.030 . 2 . . . . 66 ILE HG12 . 11112 1 724 . 1 1 66 66 ILE HG13 H 1 0.332 0.030 . 2 . . . . 66 ILE HG13 . 11112 1 725 . 1 1 66 66 ILE HG21 H 1 0.828 0.030 . 1 . . . . 66 ILE HG2 . 11112 1 726 . 1 1 66 66 ILE HG22 H 1 0.828 0.030 . 1 . . . . 66 ILE HG2 . 11112 1 727 . 1 1 66 66 ILE HG23 H 1 0.828 0.030 . 1 . . . . 66 ILE HG2 . 11112 1 728 . 1 1 66 66 ILE C C 13 178.553 0.300 . 1 . . . . 66 ILE C . 11112 1 729 . 1 1 66 66 ILE CA C 13 61.812 0.300 . 1 . . . . 66 ILE CA . 11112 1 730 . 1 1 66 66 ILE CB C 13 37.030 0.300 . 1 . . . . 66 ILE CB . 11112 1 731 . 1 1 66 66 ILE CD1 C 13 13.060 0.300 . 1 . . . . 66 ILE CD1 . 11112 1 732 . 1 1 66 66 ILE CG1 C 13 28.006 0.300 . 1 . . . . 66 ILE CG1 . 11112 1 733 . 1 1 66 66 ILE CG2 C 13 16.759 0.300 . 1 . . . . 66 ILE CG2 . 11112 1 734 . 1 1 66 66 ILE N N 15 121.758 0.300 . 1 . . . . 66 ILE N . 11112 1 735 . 1 1 67 67 GLY H H 1 8.707 0.030 . 1 . . . . 67 GLY H . 11112 1 736 . 1 1 67 67 GLY HA2 H 1 4.277 0.030 . 2 . . . . 67 GLY HA2 . 11112 1 737 . 1 1 67 67 GLY HA3 H 1 3.550 0.030 . 2 . . . . 67 GLY HA3 . 11112 1 738 . 1 1 67 67 GLY C C 13 173.206 0.300 . 1 . . . . 67 GLY C . 11112 1 739 . 1 1 67 67 GLY CA C 13 46.130 0.300 . 1 . . . . 67 GLY CA . 11112 1 740 . 1 1 67 67 GLY N N 15 118.035 0.300 . 1 . . . . 67 GLY N . 11112 1 741 . 1 1 68 68 SER H H 1 7.333 0.030 . 1 . . . . 68 SER H . 11112 1 742 . 1 1 68 68 SER HB2 H 1 3.725 0.030 . 2 . . . . 68 SER HB2 . 11112 1 743 . 1 1 68 68 SER HB3 H 1 3.987 0.030 . 2 . . . . 68 SER HB3 . 11112 1 744 . 1 1 68 68 SER C C 13 172.464 0.300 . 1 . . . . 68 SER C . 11112 1 745 . 1 1 68 68 SER CA C 13 55.287 0.300 . 1 . . . . 68 SER CA . 11112 1 746 . 1 1 68 68 SER CB C 13 64.170 0.300 . 1 . . . . 68 SER CB . 11112 1 747 . 1 1 68 68 SER N N 15 114.590 0.300 . 1 . . . . 68 SER N . 11112 1 748 . 1 1 69 69 PRO HA H 1 4.450 0.030 . 1 . . . . 69 PRO HA . 11112 1 749 . 1 1 69 69 PRO HB2 H 1 1.987 0.030 . 2 . . . . 69 PRO HB2 . 11112 1 750 . 1 1 69 69 PRO HB3 H 1 1.598 0.030 . 2 . . . . 69 PRO HB3 . 11112 1 751 . 1 1 69 69 PRO HD2 H 1 3.424 0.030 . 1 . . . . 69 PRO HD2 . 11112 1 752 . 1 1 69 69 PRO HD3 H 1 3.424 0.030 . 1 . . . . 69 PRO HD3 . 11112 1 753 . 1 1 69 69 PRO HG2 H 1 1.759 0.030 . 2 . . . . 69 PRO HG2 . 11112 1 754 . 1 1 69 69 PRO HG3 H 1 1.260 0.030 . 2 . . . . 69 PRO HG3 . 11112 1 755 . 1 1 69 69 PRO C C 13 175.056 0.300 . 1 . . . . 69 PRO C . 11112 1 756 . 1 1 69 69 PRO CA C 13 63.091 0.300 . 1 . . . . 69 PRO CA . 11112 1 757 . 1 1 69 69 PRO CB C 13 30.939 0.300 . 1 . . . . 69 PRO CB . 11112 1 758 . 1 1 69 69 PRO CD C 13 49.479 0.300 . 1 . . . . 69 PRO CD . 11112 1 759 . 1 1 69 69 PRO CG C 13 26.476 0.300 . 1 . . . . 69 PRO CG . 11112 1 760 . 1 1 70 70 HIS H H 1 7.227 0.030 . 1 . . . . 70 HIS H . 11112 1 761 . 1 1 70 70 HIS HA H 1 4.515 0.030 . 1 . . . . 70 HIS HA . 11112 1 762 . 1 1 70 70 HIS HB2 H 1 3.170 0.030 . 2 . . . . 70 HIS HB2 . 11112 1 763 . 1 1 70 70 HIS HB3 H 1 2.789 0.030 . 2 . . . . 70 HIS HB3 . 11112 1 764 . 1 1 70 70 HIS HD2 H 1 6.901 0.030 . 1 . . . . 70 HIS HD2 . 11112 1 765 . 1 1 70 70 HIS C C 13 175.813 0.300 . 1 . . . . 70 HIS C . 11112 1 766 . 1 1 70 70 HIS CA C 13 56.006 0.300 . 1 . . . . 70 HIS CA . 11112 1 767 . 1 1 70 70 HIS CB C 13 30.783 0.300 . 1 . . . . 70 HIS CB . 11112 1 768 . 1 1 70 70 HIS CD2 C 13 120.255 0.300 . 1 . . . . 70 HIS CD2 . 11112 1 769 . 1 1 70 70 HIS N N 15 115.607 0.300 . 1 . . . . 70 HIS N . 11112 1 770 . 1 1 71 71 ALA H H 1 7.292 0.030 . 1 . . . . 71 ALA H . 11112 1 771 . 1 1 71 71 ALA HA H 1 4.077 0.030 . 1 . . . . 71 ALA HA . 11112 1 772 . 1 1 71 71 ALA HB1 H 1 1.556 0.030 . 1 . . . . 71 ALA HB . 11112 1 773 . 1 1 71 71 ALA HB2 H 1 1.556 0.030 . 1 . . . . 71 ALA HB . 11112 1 774 . 1 1 71 71 ALA HB3 H 1 1.556 0.030 . 1 . . . . 71 ALA HB . 11112 1 775 . 1 1 71 71 ALA C C 13 177.583 0.300 . 1 . . . . 71 ALA C . 11112 1 776 . 1 1 71 71 ALA CA C 13 55.016 0.300 . 1 . . . . 71 ALA CA . 11112 1 777 . 1 1 71 71 ALA CB C 13 19.243 0.300 . 1 . . . . 71 ALA CB . 11112 1 778 . 1 1 71 71 ALA N N 15 122.995 0.300 . 1 . . . . 71 ALA N . 11112 1 779 . 1 1 72 72 GLN H H 1 7.623 0.030 . 1 . . . . 72 GLN H . 11112 1 780 . 1 1 72 72 GLN HA H 1 4.466 0.030 . 1 . . . . 72 GLN HA . 11112 1 781 . 1 1 72 72 GLN HB2 H 1 1.006 0.030 . 2 . . . . 72 GLN HB2 . 11112 1 782 . 1 1 72 72 GLN HB3 H 1 1.537 0.030 . 2 . . . . 72 GLN HB3 . 11112 1 783 . 1 1 72 72 GLN HE21 H 1 7.341 0.030 . 2 . . . . 72 GLN HE21 . 11112 1 784 . 1 1 72 72 GLN HE22 H 1 6.909 0.030 . 2 . . . . 72 GLN HE22 . 11112 1 785 . 1 1 72 72 GLN HG2 H 1 2.184 0.030 . 2 . . . . 72 GLN HG2 . 11112 1 786 . 1 1 72 72 GLN HG3 H 1 2.128 0.030 . 2 . . . . 72 GLN HG3 . 11112 1 787 . 1 1 72 72 GLN C C 13 174.216 0.300 . 1 . . . . 72 GLN C . 11112 1 788 . 1 1 72 72 GLN CA C 13 54.781 0.300 . 1 . . . . 72 GLN CA . 11112 1 789 . 1 1 72 72 GLN CB C 13 32.144 0.300 . 1 . . . . 72 GLN CB . 11112 1 790 . 1 1 72 72 GLN CG C 13 34.076 0.300 . 1 . . . . 72 GLN CG . 11112 1 791 . 1 1 72 72 GLN N N 15 115.435 0.300 . 1 . . . . 72 GLN N . 11112 1 792 . 1 1 72 72 GLN NE2 N 15 111.731 0.300 . 1 . . . . 72 GLN NE2 . 11112 1 793 . 1 1 73 73 THR H H 1 8.154 0.030 . 1 . . . . 73 THR H . 11112 1 794 . 1 1 73 73 THR HA H 1 5.347 0.030 . 1 . . . . 73 THR HA . 11112 1 795 . 1 1 73 73 THR HB H 1 3.753 0.030 . 1 . . . . 73 THR HB . 11112 1 796 . 1 1 73 73 THR HG21 H 1 0.965 0.030 . 1 . . . . 73 THR HG2 . 11112 1 797 . 1 1 73 73 THR HG22 H 1 0.965 0.030 . 1 . . . . 73 THR HG2 . 11112 1 798 . 1 1 73 73 THR HG23 H 1 0.965 0.030 . 1 . . . . 73 THR HG2 . 11112 1 799 . 1 1 73 73 THR C C 13 173.860 0.300 . 1 . . . . 73 THR C . 11112 1 800 . 1 1 73 73 THR CA C 13 61.390 0.300 . 1 . . . . 73 THR CA . 11112 1 801 . 1 1 73 73 THR CB C 13 71.750 0.300 . 1 . . . . 73 THR CB . 11112 1 802 . 1 1 73 73 THR CG2 C 13 21.489 0.300 . 1 . . . . 73 THR CG2 . 11112 1 803 . 1 1 73 73 THR N N 15 115.502 0.300 . 1 . . . . 73 THR N . 11112 1 804 . 1 1 74 74 ILE H H 1 9.549 0.030 . 1 . . . . 74 ILE H . 11112 1 805 . 1 1 74 74 ILE HA H 1 4.348 0.030 . 1 . . . . 74 ILE HA . 11112 1 806 . 1 1 74 74 ILE HB H 1 1.593 0.030 . 1 . . . . 74 ILE HB . 11112 1 807 . 1 1 74 74 ILE HD11 H 1 0.881 0.030 . 1 . . . . 74 ILE HD1 . 11112 1 808 . 1 1 74 74 ILE HD12 H 1 0.881 0.030 . 1 . . . . 74 ILE HD1 . 11112 1 809 . 1 1 74 74 ILE HD13 H 1 0.881 0.030 . 1 . . . . 74 ILE HD1 . 11112 1 810 . 1 1 74 74 ILE HG12 H 1 1.536 0.030 . 2 . . . . 74 ILE HG12 . 11112 1 811 . 1 1 74 74 ILE HG13 H 1 1.294 0.030 . 2 . . . . 74 ILE HG13 . 11112 1 812 . 1 1 74 74 ILE HG21 H 1 0.522 0.030 . 1 . . . . 74 ILE HG2 . 11112 1 813 . 1 1 74 74 ILE HG22 H 1 0.522 0.030 . 1 . . . . 74 ILE HG2 . 11112 1 814 . 1 1 74 74 ILE HG23 H 1 0.522 0.030 . 1 . . . . 74 ILE HG2 . 11112 1 815 . 1 1 74 74 ILE C C 13 174.530 0.300 . 1 . . . . 74 ILE C . 11112 1 816 . 1 1 74 74 ILE CA C 13 59.486 0.300 . 1 . . . . 74 ILE CA . 11112 1 817 . 1 1 74 74 ILE CB C 13 41.467 0.300 . 1 . . . . 74 ILE CB . 11112 1 818 . 1 1 74 74 ILE CD1 C 13 13.968 0.300 . 1 . . . . 74 ILE CD1 . 11112 1 819 . 1 1 74 74 ILE CG1 C 13 27.437 0.300 . 1 . . . . 74 ILE CG1 . 11112 1 820 . 1 1 74 74 ILE CG2 C 13 17.177 0.300 . 1 . . . . 74 ILE CG2 . 11112 1 821 . 1 1 74 74 ILE N N 15 128.795 0.300 . 1 . . . . 74 ILE N . 11112 1 822 . 1 1 75 75 LYS H H 1 8.522 0.030 . 1 . . . . 75 LYS H . 11112 1 823 . 1 1 75 75 LYS HA H 1 5.532 0.030 . 1 . . . . 75 LYS HA . 11112 1 824 . 1 1 75 75 LYS HB2 H 1 1.739 0.030 . 1 . . . . 75 LYS HB2 . 11112 1 825 . 1 1 75 75 LYS HB3 H 1 1.739 0.030 . 1 . . . . 75 LYS HB3 . 11112 1 826 . 1 1 75 75 LYS HD2 H 1 1.363 0.030 . 2 . . . . 75 LYS HD2 . 11112 1 827 . 1 1 75 75 LYS HD3 H 1 1.238 0.030 . 2 . . . . 75 LYS HD3 . 11112 1 828 . 1 1 75 75 LYS HE2 H 1 2.509 0.030 . 2 . . . . 75 LYS HE2 . 11112 1 829 . 1 1 75 75 LYS HE3 H 1 2.357 0.030 . 2 . . . . 75 LYS HE3 . 11112 1 830 . 1 1 75 75 LYS HG2 H 1 1.063 0.030 . 2 . . . . 75 LYS HG2 . 11112 1 831 . 1 1 75 75 LYS HG3 H 1 1.365 0.030 . 2 . . . . 75 LYS HG3 . 11112 1 832 . 1 1 75 75 LYS C C 13 176.016 0.300 . 1 . . . . 75 LYS C . 11112 1 833 . 1 1 75 75 LYS CA C 13 55.206 0.300 . 1 . . . . 75 LYS CA . 11112 1 834 . 1 1 75 75 LYS CB C 13 34.569 0.300 . 1 . . . . 75 LYS CB . 11112 1 835 . 1 1 75 75 LYS CD C 13 29.148 0.300 . 1 . . . . 75 LYS CD . 11112 1 836 . 1 1 75 75 LYS CE C 13 41.861 0.300 . 1 . . . . 75 LYS CE . 11112 1 837 . 1 1 75 75 LYS CG C 13 26.088 0.300 . 1 . . . . 75 LYS CG . 11112 1 838 . 1 1 75 75 LYS N N 15 125.128 0.300 . 1 . . . . 75 LYS N . 11112 1 839 . 1 1 76 76 VAL H H 1 9.119 0.030 . 1 . . . . 76 VAL H . 11112 1 840 . 1 1 76 76 VAL HA H 1 4.896 0.030 . 1 . . . . 76 VAL HA . 11112 1 841 . 1 1 76 76 VAL HB H 1 2.407 0.030 . 1 . . . . 76 VAL HB . 11112 1 842 . 1 1 76 76 VAL HG11 H 1 0.809 0.030 . 1 . . . . 76 VAL HG1 . 11112 1 843 . 1 1 76 76 VAL HG12 H 1 0.809 0.030 . 1 . . . . 76 VAL HG1 . 11112 1 844 . 1 1 76 76 VAL HG13 H 1 0.809 0.030 . 1 . . . . 76 VAL HG1 . 11112 1 845 . 1 1 76 76 VAL HG21 H 1 1.048 0.030 . 1 . . . . 76 VAL HG2 . 11112 1 846 . 1 1 76 76 VAL HG22 H 1 1.048 0.030 . 1 . . . . 76 VAL HG2 . 11112 1 847 . 1 1 76 76 VAL HG23 H 1 1.048 0.030 . 1 . . . . 76 VAL HG2 . 11112 1 848 . 1 1 76 76 VAL C C 13 175.470 0.300 . 1 . . . . 76 VAL C . 11112 1 849 . 1 1 76 76 VAL CA C 13 58.668 0.300 . 1 . . . . 76 VAL CA . 11112 1 850 . 1 1 76 76 VAL CB C 13 35.630 0.300 . 1 . . . . 76 VAL CB . 11112 1 851 . 1 1 76 76 VAL CG1 C 13 22.073 0.300 . 2 . . . . 76 VAL CG1 . 11112 1 852 . 1 1 76 76 VAL CG2 C 13 19.886 0.300 . 2 . . . . 76 VAL CG2 . 11112 1 853 . 1 1 76 76 VAL N N 15 115.545 0.300 . 1 . . . . 76 VAL N . 11112 1 854 . 1 1 77 77 ASP H H 1 8.632 0.030 . 1 . . . . 77 ASP H . 11112 1 855 . 1 1 77 77 ASP HA H 1 4.911 0.030 . 1 . . . . 77 ASP HA . 11112 1 856 . 1 1 77 77 ASP HB2 H 1 3.124 0.030 . 2 . . . . 77 ASP HB2 . 11112 1 857 . 1 1 77 77 ASP HB3 H 1 2.816 0.030 . 2 . . . . 77 ASP HB3 . 11112 1 858 . 1 1 77 77 ASP C C 13 176.521 0.300 . 1 . . . . 77 ASP C . 11112 1 859 . 1 1 77 77 ASP CA C 13 54.673 0.300 . 1 . . . . 77 ASP CA . 11112 1 860 . 1 1 77 77 ASP CB C 13 42.601 0.300 . 1 . . . . 77 ASP CB . 11112 1 861 . 1 1 77 77 ASP N N 15 119.525 0.300 . 1 . . . . 77 ASP N . 11112 1 862 . 1 1 78 78 TYR H H 1 6.764 0.030 . 1 . . . . 78 TYR H . 11112 1 863 . 1 1 78 78 TYR HA H 1 4.327 0.030 . 1 . . . . 78 TYR HA . 11112 1 864 . 1 1 78 78 TYR HB2 H 1 3.126 0.030 . 2 . . . . 78 TYR HB2 . 11112 1 865 . 1 1 78 78 TYR HB3 H 1 2.475 0.030 . 2 . . . . 78 TYR HB3 . 11112 1 866 . 1 1 78 78 TYR HD1 H 1 7.189 0.030 . 1 . . . . 78 TYR HD1 . 11112 1 867 . 1 1 78 78 TYR HD2 H 1 7.189 0.030 . 1 . . . . 78 TYR HD2 . 11112 1 868 . 1 1 78 78 TYR HE1 H 1 6.949 0.030 . 1 . . . . 78 TYR HE1 . 11112 1 869 . 1 1 78 78 TYR HE2 H 1 6.949 0.030 . 1 . . . . 78 TYR HE2 . 11112 1 870 . 1 1 78 78 TYR C C 13 175.904 0.300 . 1 . . . . 78 TYR C . 11112 1 871 . 1 1 78 78 TYR CA C 13 58.771 0.300 . 1 . . . . 78 TYR CA . 11112 1 872 . 1 1 78 78 TYR CB C 13 38.204 0.300 . 1 . . . . 78 TYR CB . 11112 1 873 . 1 1 78 78 TYR CD1 C 13 133.422 0.300 . 1 . . . . 78 TYR CD1 . 11112 1 874 . 1 1 78 78 TYR CD2 C 13 133.422 0.300 . 1 . . . . 78 TYR CD2 . 11112 1 875 . 1 1 78 78 TYR CE1 C 13 118.867 0.300 . 1 . . . . 78 TYR CE1 . 11112 1 876 . 1 1 78 78 TYR CE2 C 13 118.867 0.300 . 1 . . . . 78 TYR CE2 . 11112 1 877 . 1 1 78 78 TYR N N 15 113.240 0.300 . 1 . . . . 78 TYR N . 11112 1 878 . 1 1 79 79 LYS H H 1 8.182 0.030 . 1 . . . . 79 LYS H . 11112 1 879 . 1 1 79 79 LYS HA H 1 4.128 0.030 . 1 . . . . 79 LYS HA . 11112 1 880 . 1 1 79 79 LYS HB2 H 1 1.716 0.030 . 2 . . . . 79 LYS HB2 . 11112 1 881 . 1 1 79 79 LYS HB3 H 1 1.637 0.030 . 2 . . . . 79 LYS HB3 . 11112 1 882 . 1 1 79 79 LYS HD2 H 1 1.549 0.030 . 2 . . . . 79 LYS HD2 . 11112 1 883 . 1 1 79 79 LYS HD3 H 1 1.476 0.030 . 2 . . . . 79 LYS HD3 . 11112 1 884 . 1 1 79 79 LYS HE2 H 1 2.875 0.030 . 1 . . . . 79 LYS HE2 . 11112 1 885 . 1 1 79 79 LYS HE3 H 1 2.875 0.030 . 1 . . . . 79 LYS HE3 . 11112 1 886 . 1 1 79 79 LYS HG2 H 1 0.499 0.030 . 2 . . . . 79 LYS HG2 . 11112 1 887 . 1 1 79 79 LYS HG3 H 1 0.950 0.030 . 2 . . . . 79 LYS HG3 . 11112 1 888 . 1 1 79 79 LYS C C 13 176.966 0.300 . 1 . . . . 79 LYS C . 11112 1 889 . 1 1 79 79 LYS CA C 13 56.853 0.300 . 1 . . . . 79 LYS CA . 11112 1 890 . 1 1 79 79 LYS CB C 13 32.328 0.300 . 1 . . . . 79 LYS CB . 11112 1 891 . 1 1 79 79 LYS CD C 13 29.148 0.300 . 1 . . . . 79 LYS CD . 11112 1 892 . 1 1 79 79 LYS CE C 13 41.926 0.300 . 1 . . . . 79 LYS CE . 11112 1 893 . 1 1 79 79 LYS CG C 13 25.273 0.300 . 1 . . . . 79 LYS CG . 11112 1 894 . 1 1 79 79 LYS N N 15 122.781 0.300 . 1 . . . . 79 LYS N . 11112 1 895 . 1 1 80 80 GLN H H 1 7.558 0.030 . 1 . . . . 80 GLN H . 11112 1 896 . 1 1 80 80 GLN HA H 1 4.059 0.030 . 1 . . . . 80 GLN HA . 11112 1 897 . 1 1 80 80 GLN HB2 H 1 2.329 0.030 . 2 . . . . 80 GLN HB2 . 11112 1 898 . 1 1 80 80 GLN HB3 H 1 2.281 0.030 . 2 . . . . 80 GLN HB3 . 11112 1 899 . 1 1 80 80 GLN HE21 H 1 8.382 0.030 . 2 . . . . 80 GLN HE21 . 11112 1 900 . 1 1 80 80 GLN HE22 H 1 6.974 0.030 . 2 . . . . 80 GLN HE22 . 11112 1 901 . 1 1 80 80 GLN HG2 H 1 2.773 0.030 . 2 . . . . 80 GLN HG2 . 11112 1 902 . 1 1 80 80 GLN HG3 H 1 2.570 0.030 . 2 . . . . 80 GLN HG3 . 11112 1 903 . 1 1 80 80 GLN C C 13 176.259 0.300 . 1 . . . . 80 GLN C . 11112 1 904 . 1 1 80 80 GLN CA C 13 55.495 0.300 . 1 . . . . 80 GLN CA . 11112 1 905 . 1 1 80 80 GLN CB C 13 29.039 0.300 . 1 . . . . 80 GLN CB . 11112 1 906 . 1 1 80 80 GLN CG C 13 33.873 0.300 . 1 . . . . 80 GLN CG . 11112 1 907 . 1 1 80 80 GLN N N 15 118.427 0.300 . 1 . . . . 80 GLN N . 11112 1 908 . 1 1 80 80 GLN NE2 N 15 116.434 0.300 . 1 . . . . 80 GLN NE2 . 11112 1 909 . 1 1 81 81 ARG H H 1 8.146 0.030 . 1 . . . . 81 ARG H . 11112 1 910 . 1 1 81 81 ARG HA H 1 2.735 0.030 . 1 . . . . 81 ARG HA . 11112 1 911 . 1 1 81 81 ARG HB2 H 1 1.719 0.030 . 2 . . . . 81 ARG HB2 . 11112 1 912 . 1 1 81 81 ARG HB3 H 1 1.141 0.030 . 2 . . . . 81 ARG HB3 . 11112 1 913 . 1 1 81 81 ARG HD2 H 1 2.947 0.030 . 2 . . . . 81 ARG HD2 . 11112 1 914 . 1 1 81 81 ARG HG2 H 1 1.465 0.030 . 2 . . . . 81 ARG HG2 . 11112 1 915 . 1 1 81 81 ARG HG3 H 1 1.186 0.030 . 2 . . . . 81 ARG HG3 . 11112 1 916 . 1 1 81 81 ARG C C 13 172.417 0.300 . 1 . . . . 81 ARG C . 11112 1 917 . 1 1 81 81 ARG CA C 13 52.868 0.300 . 1 . . . . 81 ARG CA . 11112 1 918 . 1 1 81 81 ARG CB C 13 31.903 0.300 . 1 . . . . 81 ARG CB . 11112 1 919 . 1 1 81 81 ARG CD C 13 42.170 0.300 . 1 . . . . 81 ARG CD . 11112 1 920 . 1 1 81 81 ARG CG C 13 26.650 0.300 . 1 . . . . 81 ARG CG . 11112 1 921 . 1 1 81 81 ARG N N 15 119.161 0.300 . 1 . . . . 81 ARG N . 11112 1 922 . 1 1 82 82 TYR H H 1 6.623 0.030 . 1 . . . . 82 TYR H . 11112 1 923 . 1 1 82 82 TYR HA H 1 5.059 0.030 . 1 . . . . 82 TYR HA . 11112 1 924 . 1 1 82 82 TYR HB2 H 1 2.796 0.030 . 2 . . . . 82 TYR HB2 . 11112 1 925 . 1 1 82 82 TYR HB3 H 1 2.647 0.030 . 2 . . . . 82 TYR HB3 . 11112 1 926 . 1 1 82 82 TYR HD1 H 1 6.773 0.030 . 1 . . . . 82 TYR HD1 . 11112 1 927 . 1 1 82 82 TYR HD2 H 1 6.773 0.030 . 1 . . . . 82 TYR HD2 . 11112 1 928 . 1 1 82 82 TYR HE1 H 1 6.660 0.030 . 1 . . . . 82 TYR HE1 . 11112 1 929 . 1 1 82 82 TYR HE2 H 1 6.660 0.030 . 1 . . . . 82 TYR HE2 . 11112 1 930 . 1 1 82 82 TYR C C 13 174.510 0.300 . 1 . . . . 82 TYR C . 11112 1 931 . 1 1 82 82 TYR CA C 13 55.778 0.300 . 1 . . . . 82 TYR CA . 11112 1 932 . 1 1 82 82 TYR CB C 13 41.023 0.300 . 1 . . . . 82 TYR CB . 11112 1 933 . 1 1 82 82 TYR CD1 C 13 133.499 0.300 . 1 . . . . 82 TYR CD1 . 11112 1 934 . 1 1 82 82 TYR CD2 C 13 133.499 0.300 . 1 . . . . 82 TYR CD2 . 11112 1 935 . 1 1 82 82 TYR CE1 C 13 117.901 0.300 . 1 . . . . 82 TYR CE1 . 11112 1 936 . 1 1 82 82 TYR CE2 C 13 117.901 0.300 . 1 . . . . 82 TYR CE2 . 11112 1 937 . 1 1 82 82 TYR N N 15 114.665 0.300 . 1 . . . . 82 TYR N . 11112 1 938 . 1 1 83 83 TYR H H 1 9.501 0.030 . 1 . . . . 83 TYR H . 11112 1 939 . 1 1 83 83 TYR HA H 1 4.338 0.030 . 1 . . . . 83 TYR HA . 11112 1 940 . 1 1 83 83 TYR HB2 H 1 3.285 0.030 . 2 . . . . 83 TYR HB2 . 11112 1 941 . 1 1 83 83 TYR HB3 H 1 2.643 0.030 . 2 . . . . 83 TYR HB3 . 11112 1 942 . 1 1 83 83 TYR HD1 H 1 6.916 0.030 . 1 . . . . 83 TYR HD1 . 11112 1 943 . 1 1 83 83 TYR HD2 H 1 6.916 0.030 . 1 . . . . 83 TYR HD2 . 11112 1 944 . 1 1 83 83 TYR HE1 H 1 6.709 0.030 . 1 . . . . 83 TYR HE1 . 11112 1 945 . 1 1 83 83 TYR HE2 H 1 6.709 0.030 . 1 . . . . 83 TYR HE2 . 11112 1 946 . 1 1 83 83 TYR C C 13 173.245 0.300 . 1 . . . . 83 TYR C . 11112 1 947 . 1 1 83 83 TYR CA C 13 59.603 0.300 . 1 . . . . 83 TYR CA . 11112 1 948 . 1 1 83 83 TYR CB C 13 43.249 0.300 . 1 . . . . 83 TYR CB . 11112 1 949 . 1 1 83 83 TYR CD1 C 13 132.575 0.300 . 1 . . . . 83 TYR CD1 . 11112 1 950 . 1 1 83 83 TYR CD2 C 13 132.575 0.300 . 1 . . . . 83 TYR CD2 . 11112 1 951 . 1 1 83 83 TYR CE1 C 13 118.624 0.300 . 1 . . . . 83 TYR CE1 . 11112 1 952 . 1 1 83 83 TYR CE2 C 13 118.624 0.300 . 1 . . . . 83 TYR CE2 . 11112 1 953 . 1 1 83 83 TYR N N 15 122.132 0.300 . 1 . . . . 83 TYR N . 11112 1 954 . 1 1 84 84 THR H H 1 7.584 0.030 . 1 . . . . 84 THR H . 11112 1 955 . 1 1 84 84 THR HA H 1 4.749 0.030 . 1 . . . . 84 THR HA . 11112 1 956 . 1 1 84 84 THR HB H 1 3.741 0.030 . 1 . . . . 84 THR HB . 11112 1 957 . 1 1 84 84 THR HG21 H 1 0.859 0.030 . 1 . . . . 84 THR HG2 . 11112 1 958 . 1 1 84 84 THR HG22 H 1 0.859 0.030 . 1 . . . . 84 THR HG2 . 11112 1 959 . 1 1 84 84 THR HG23 H 1 0.859 0.030 . 1 . . . . 84 THR HG2 . 11112 1 960 . 1 1 84 84 THR C C 13 172.214 0.300 . 1 . . . . 84 THR C . 11112 1 961 . 1 1 84 84 THR CA C 13 61.909 0.300 . 1 . . . . 84 THR CA . 11112 1 962 . 1 1 84 84 THR CB C 13 68.657 0.300 . 1 . . . . 84 THR CB . 11112 1 963 . 1 1 84 84 THR CG2 C 13 21.800 0.300 . 1 . . . . 84 THR CG2 . 11112 1 964 . 1 1 84 84 THR N N 15 124.402 0.300 . 1 . . . . 84 THR N . 11112 1 965 . 1 1 85 85 ILE H H 1 8.846 0.030 . 1 . . . . 85 ILE H . 11112 1 966 . 1 1 85 85 ILE HA H 1 3.828 0.030 . 1 . . . . 85 ILE HA . 11112 1 967 . 1 1 85 85 ILE HB H 1 1.310 0.030 . 1 . . . . 85 ILE HB . 11112 1 968 . 1 1 85 85 ILE HD11 H 1 0.305 0.030 . 1 . . . . 85 ILE HD1 . 11112 1 969 . 1 1 85 85 ILE HD12 H 1 0.305 0.030 . 1 . . . . 85 ILE HD1 . 11112 1 970 . 1 1 85 85 ILE HD13 H 1 0.305 0.030 . 1 . . . . 85 ILE HD1 . 11112 1 971 . 1 1 85 85 ILE HG12 H 1 1.725 0.030 . 2 . . . . 85 ILE HG12 . 11112 1 972 . 1 1 85 85 ILE HG13 H 1 0.615 0.030 . 2 . . . . 85 ILE HG13 . 11112 1 973 . 1 1 85 85 ILE HG21 H 1 0.087 0.030 . 1 . . . . 85 ILE HG2 . 11112 1 974 . 1 1 85 85 ILE HG22 H 1 0.087 0.030 . 1 . . . . 85 ILE HG2 . 11112 1 975 . 1 1 85 85 ILE HG23 H 1 0.087 0.030 . 1 . . . . 85 ILE HG2 . 11112 1 976 . 1 1 85 85 ILE C C 13 175.298 0.300 . 1 . . . . 85 ILE C . 11112 1 977 . 1 1 85 85 ILE CA C 13 61.731 0.300 . 1 . . . . 85 ILE CA . 11112 1 978 . 1 1 85 85 ILE CB C 13 38.431 0.300 . 1 . . . . 85 ILE CB . 11112 1 979 . 1 1 85 85 ILE CD1 C 13 14.144 0.300 . 1 . . . . 85 ILE CD1 . 11112 1 980 . 1 1 85 85 ILE CG1 C 13 26.877 0.300 . 1 . . . . 85 ILE CG1 . 11112 1 981 . 1 1 85 85 ILE CG2 C 13 18.294 0.300 . 1 . . . . 85 ILE CG2 . 11112 1 982 . 1 1 85 85 ILE N N 15 128.126 0.300 . 1 . . . . 85 ILE N . 11112 1 983 . 1 1 86 86 GLU H H 1 8.157 0.030 . 1 . . . . 86 GLU H . 11112 1 984 . 1 1 86 86 GLU HA H 1 4.659 0.030 . 1 . . . . 86 GLU HA . 11112 1 985 . 1 1 86 86 GLU HB2 H 1 2.020 0.030 . 2 . . . . 86 GLU HB2 . 11112 1 986 . 1 1 86 86 GLU HB3 H 1 1.757 0.030 . 2 . . . . 86 GLU HB3 . 11112 1 987 . 1 1 86 86 GLU HG2 H 1 2.145 0.030 . 2 . . . . 86 GLU HG2 . 11112 1 988 . 1 1 86 86 GLU HG3 H 1 1.934 0.030 . 2 . . . . 86 GLU HG3 . 11112 1 989 . 1 1 86 86 GLU C C 13 175.227 0.300 . 1 . . . . 86 GLU C . 11112 1 990 . 1 1 86 86 GLU CA C 13 55.074 0.300 . 1 . . . . 86 GLU CA . 11112 1 991 . 1 1 86 86 GLU CB C 13 33.294 0.300 . 1 . . . . 86 GLU CB . 11112 1 992 . 1 1 86 86 GLU CG C 13 36.741 0.300 . 1 . . . . 86 GLU CG . 11112 1 993 . 1 1 86 86 GLU N N 15 125.033 0.300 . 1 . . . . 86 GLU N . 11112 1 994 . 1 1 87 87 ASN H H 1 9.056 0.030 . 1 . . . . 87 ASN H . 11112 1 995 . 1 1 87 87 ASN HA H 1 4.376 0.030 . 1 . . . . 87 ASN HA . 11112 1 996 . 1 1 87 87 ASN HB2 H 1 3.018 0.030 . 2 . . . . 87 ASN HB2 . 11112 1 997 . 1 1 87 87 ASN HB3 H 1 2.944 0.030 . 2 . . . . 87 ASN HB3 . 11112 1 998 . 1 1 87 87 ASN HD21 H 1 7.675 0.030 . 2 . . . . 87 ASN HD21 . 11112 1 999 . 1 1 87 87 ASN HD22 H 1 6.999 0.030 . 2 . . . . 87 ASN HD22 . 11112 1 1000 . 1 1 87 87 ASN C C 13 175.055 0.300 . 1 . . . . 87 ASN C . 11112 1 1001 . 1 1 87 87 ASN CA C 13 54.518 0.300 . 1 . . . . 87 ASN CA . 11112 1 1002 . 1 1 87 87 ASN CB C 13 36.925 0.300 . 1 . . . . 87 ASN CB . 11112 1 1003 . 1 1 87 87 ASN N N 15 113.172 0.300 . 1 . . . . 87 ASN N . 11112 1 1004 . 1 1 87 87 ASN ND2 N 15 114.748 0.300 . 1 . . . . 87 ASN ND2 . 11112 1 1005 . 1 1 88 88 LEU H H 1 8.589 0.030 . 1 . . . . 88 LEU H . 11112 1 1006 . 1 1 88 88 LEU HA H 1 4.422 0.030 . 1 . . . . 88 LEU HA . 11112 1 1007 . 1 1 88 88 LEU HB2 H 1 1.314 0.030 . 2 . . . . 88 LEU HB2 . 11112 1 1008 . 1 1 88 88 LEU HB3 H 1 0.809 0.030 . 2 . . . . 88 LEU HB3 . 11112 1 1009 . 1 1 88 88 LEU HD11 H 1 -0.283 0.030 . 1 . . . . 88 LEU HD1 . 11112 1 1010 . 1 1 88 88 LEU HD12 H 1 -0.283 0.030 . 1 . . . . 88 LEU HD1 . 11112 1 1011 . 1 1 88 88 LEU HD13 H 1 -0.283 0.030 . 1 . . . . 88 LEU HD1 . 11112 1 1012 . 1 1 88 88 LEU HD21 H 1 0.324 0.030 . 1 . . . . 88 LEU HD2 . 11112 1 1013 . 1 1 88 88 LEU HD22 H 1 0.324 0.030 . 1 . . . . 88 LEU HD2 . 11112 1 1014 . 1 1 88 88 LEU HD23 H 1 0.324 0.030 . 1 . . . . 88 LEU HD2 . 11112 1 1015 . 1 1 88 88 LEU HG H 1 0.948 0.030 . 1 . . . . 88 LEU HG . 11112 1 1016 . 1 1 88 88 LEU C C 13 176.005 0.300 . 1 . . . . 88 LEU C . 11112 1 1017 . 1 1 88 88 LEU CA C 13 53.076 0.300 . 1 . . . . 88 LEU CA . 11112 1 1018 . 1 1 88 88 LEU CB C 13 41.324 0.300 . 1 . . . . 88 LEU CB . 11112 1 1019 . 1 1 88 88 LEU CD1 C 13 25.167 0.300 . 2 . . . . 88 LEU CD1 . 11112 1 1020 . 1 1 88 88 LEU CD2 C 13 20.259 0.300 . 2 . . . . 88 LEU CD2 . 11112 1 1021 . 1 1 88 88 LEU CG C 13 25.768 0.300 . 1 . . . . 88 LEU CG . 11112 1 1022 . 1 1 88 88 LEU N N 15 117.955 0.300 . 1 . . . . 88 LEU N . 11112 1 1023 . 1 1 89 89 ASP H H 1 8.282 0.030 . 1 . . . . 89 ASP H . 11112 1 1024 . 1 1 89 89 ASP HA H 1 5.119 0.030 . 1 . . . . 89 ASP HA . 11112 1 1025 . 1 1 89 89 ASP HB2 H 1 2.676 0.030 . 2 . . . . 89 ASP HB2 . 11112 1 1026 . 1 1 89 89 ASP HB3 H 1 2.588 0.030 . 2 . . . . 89 ASP HB3 . 11112 1 1027 . 1 1 89 89 ASP CA C 13 52.171 0.300 . 1 . . . . 89 ASP CA . 11112 1 1028 . 1 1 89 89 ASP CB C 13 41.277 0.300 . 1 . . . . 89 ASP CB . 11112 1 1029 . 1 1 89 89 ASP N N 15 120.461 0.300 . 1 . . . . 89 ASP N . 11112 1 1030 . 1 1 90 90 PRO HA H 1 5.165 0.030 . 1 . . . . 90 PRO HA . 11112 1 1031 . 1 1 90 90 PRO HB2 H 1 2.548 0.030 . 2 . . . . 90 PRO HB2 . 11112 1 1032 . 1 1 90 90 PRO HB3 H 1 1.913 0.030 . 2 . . . . 90 PRO HB3 . 11112 1 1033 . 1 1 90 90 PRO HD2 H 1 3.962 0.030 . 2 . . . . 90 PRO HD2 . 11112 1 1034 . 1 1 90 90 PRO HD3 H 1 3.655 0.030 . 2 . . . . 90 PRO HD3 . 11112 1 1035 . 1 1 90 90 PRO HG2 H 1 1.918 0.030 . 2 . . . . 90 PRO HG2 . 11112 1 1036 . 1 1 90 90 PRO HG3 H 1 1.849 0.030 . 2 . . . . 90 PRO HG3 . 11112 1 1037 . 1 1 90 90 PRO C C 13 177.784 0.300 . 1 . . . . 90 PRO C . 11112 1 1038 . 1 1 90 90 PRO CA C 13 62.377 0.300 . 1 . . . . 90 PRO CA . 11112 1 1039 . 1 1 90 90 PRO CB C 13 33.422 0.300 . 1 . . . . 90 PRO CB . 11112 1 1040 . 1 1 90 90 PRO CD C 13 51.196 0.300 . 1 . . . . 90 PRO CD . 11112 1 1041 . 1 1 90 90 PRO CG C 13 27.285 0.300 . 1 . . . . 90 PRO CG . 11112 1 1042 . 1 1 91 91 SER H H 1 7.416 0.030 . 1 . . . . 91 SER H . 11112 1 1043 . 1 1 91 91 SER HA H 1 4.037 0.030 . 1 . . . . 91 SER HA . 11112 1 1044 . 1 1 91 91 SER HB2 H 1 3.681 0.030 . 2 . . . . 91 SER HB2 . 11112 1 1045 . 1 1 91 91 SER HB3 H 1 4.060 0.030 . 2 . . . . 91 SER HB3 . 11112 1 1046 . 1 1 91 91 SER C C 13 174.430 0.300 . 1 . . . . 91 SER C . 11112 1 1047 . 1 1 91 91 SER CA C 13 58.455 0.300 . 1 . . . . 91 SER CA . 11112 1 1048 . 1 1 91 91 SER CB C 13 62.481 0.300 . 1 . . . . 91 SER CB . 11112 1 1049 . 1 1 91 91 SER N N 15 118.187 0.300 . 1 . . . . 91 SER N . 11112 1 1050 . 1 1 92 92 SER H H 1 8.696 0.030 . 1 . . . . 92 SER H . 11112 1 1051 . 1 1 92 92 SER HA H 1 4.956 0.030 . 1 . . . . 92 SER HA . 11112 1 1052 . 1 1 92 92 SER HB2 H 1 3.780 0.030 . 2 . . . . 92 SER HB2 . 11112 1 1053 . 1 1 92 92 SER HB3 H 1 3.336 0.030 . 2 . . . . 92 SER HB3 . 11112 1 1054 . 1 1 92 92 SER C C 13 170.597 0.300 . 1 . . . . 92 SER C . 11112 1 1055 . 1 1 92 92 SER CA C 13 58.276 0.300 . 1 . . . . 92 SER CA . 11112 1 1056 . 1 1 92 92 SER CB C 13 66.870 0.300 . 1 . . . . 92 SER CB . 11112 1 1057 . 1 1 92 92 SER N N 15 114.560 0.300 . 1 . . . . 92 SER N . 11112 1 1058 . 1 1 93 93 HIS H H 1 8.711 0.030 . 1 . . . . 93 HIS H . 11112 1 1059 . 1 1 93 93 HIS HA H 1 4.908 0.030 . 1 . . . . 93 HIS HA . 11112 1 1060 . 1 1 93 93 HIS HB2 H 1 3.180 0.030 . 2 . . . . 93 HIS HB2 . 11112 1 1061 . 1 1 93 93 HIS HB3 H 1 2.918 0.030 . 2 . . . . 93 HIS HB3 . 11112 1 1062 . 1 1 93 93 HIS HD2 H 1 6.844 0.030 . 1 . . . . 93 HIS HD2 . 11112 1 1063 . 1 1 93 93 HIS HE1 H 1 7.737 0.030 . 1 . . . . 93 HIS HE1 . 11112 1 1064 . 1 1 93 93 HIS C C 13 173.862 0.300 . 1 . . . . 93 HIS C . 11112 1 1065 . 1 1 93 93 HIS CA C 13 55.187 0.300 . 1 . . . . 93 HIS CA . 11112 1 1066 . 1 1 93 93 HIS CB C 13 30.798 0.300 . 1 . . . . 93 HIS CB . 11112 1 1067 . 1 1 93 93 HIS CD2 C 13 119.537 0.300 . 1 . . . . 93 HIS CD2 . 11112 1 1068 . 1 1 93 93 HIS CE1 C 13 137.590 0.300 . 1 . . . . 93 HIS CE1 . 11112 1 1069 . 1 1 93 93 HIS N N 15 123.657 0.300 . 1 . . . . 93 HIS N . 11112 1 1070 . 1 1 94 94 TYR H H 1 9.160 0.030 . 1 . . . . 94 TYR H . 11112 1 1071 . 1 1 94 94 TYR HA H 1 4.876 0.030 . 1 . . . . 94 TYR HA . 11112 1 1072 . 1 1 94 94 TYR HB2 H 1 2.764 0.030 . 2 . . . . 94 TYR HB2 . 11112 1 1073 . 1 1 94 94 TYR HB3 H 1 2.602 0.030 . 2 . . . . 94 TYR HB3 . 11112 1 1074 . 1 1 94 94 TYR HD1 H 1 6.965 0.030 . 1 . . . . 94 TYR HD1 . 11112 1 1075 . 1 1 94 94 TYR HD2 H 1 6.965 0.030 . 1 . . . . 94 TYR HD2 . 11112 1 1076 . 1 1 94 94 TYR HE1 H 1 6.925 0.030 . 1 . . . . 94 TYR HE1 . 11112 1 1077 . 1 1 94 94 TYR HE2 H 1 6.925 0.030 . 1 . . . . 94 TYR HE2 . 11112 1 1078 . 1 1 94 94 TYR C C 13 175.015 0.300 . 1 . . . . 94 TYR C . 11112 1 1079 . 1 1 94 94 TYR CA C 13 58.462 0.300 . 1 . . . . 94 TYR CA . 11112 1 1080 . 1 1 94 94 TYR CB C 13 41.710 0.300 . 1 . . . . 94 TYR CB . 11112 1 1081 . 1 1 94 94 TYR CD1 C 13 132.613 0.300 . 1 . . . . 94 TYR CD1 . 11112 1 1082 . 1 1 94 94 TYR CD2 C 13 132.613 0.300 . 1 . . . . 94 TYR CD2 . 11112 1 1083 . 1 1 94 94 TYR CE1 C 13 119.028 0.300 . 1 . . . . 94 TYR CE1 . 11112 1 1084 . 1 1 94 94 TYR CE2 C 13 119.028 0.300 . 1 . . . . 94 TYR CE2 . 11112 1 1085 . 1 1 94 94 TYR N N 15 125.779 0.300 . 1 . . . . 94 TYR N . 11112 1 1086 . 1 1 95 95 VAL H H 1 8.688 0.030 . 1 . . . . 95 VAL H . 11112 1 1087 . 1 1 95 95 VAL HA H 1 4.473 0.030 . 1 . . . . 95 VAL HA . 11112 1 1088 . 1 1 95 95 VAL HB H 1 1.513 0.030 . 1 . . . . 95 VAL HB . 11112 1 1089 . 1 1 95 95 VAL HG11 H 1 0.959 0.030 . 1 . . . . 95 VAL HG1 . 11112 1 1090 . 1 1 95 95 VAL HG12 H 1 0.959 0.030 . 1 . . . . 95 VAL HG1 . 11112 1 1091 . 1 1 95 95 VAL HG13 H 1 0.959 0.030 . 1 . . . . 95 VAL HG1 . 11112 1 1092 . 1 1 95 95 VAL HG21 H 1 0.768 0.030 . 1 . . . . 95 VAL HG2 . 11112 1 1093 . 1 1 95 95 VAL HG22 H 1 0.768 0.030 . 1 . . . . 95 VAL HG2 . 11112 1 1094 . 1 1 95 95 VAL HG23 H 1 0.768 0.030 . 1 . . . . 95 VAL HG2 . 11112 1 1095 . 1 1 95 95 VAL C C 13 174.286 0.300 . 1 . . . . 95 VAL C . 11112 1 1096 . 1 1 95 95 VAL CA C 13 61.847 0.300 . 1 . . . . 95 VAL CA . 11112 1 1097 . 1 1 95 95 VAL CB C 13 33.575 0.300 . 1 . . . . 95 VAL CB . 11112 1 1098 . 1 1 95 95 VAL CG1 C 13 21.501 0.300 . 2 . . . . 95 VAL CG1 . 11112 1 1099 . 1 1 95 95 VAL CG2 C 13 21.173 0.300 . 2 . . . . 95 VAL CG2 . 11112 1 1100 . 1 1 95 95 VAL N N 15 121.480 0.300 . 1 . . . . 95 VAL N . 11112 1 1101 . 1 1 96 96 ILE H H 1 8.750 0.030 . 1 . . . . 96 ILE H . 11112 1 1102 . 1 1 96 96 ILE HA H 1 5.450 0.030 . 1 . . . . 96 ILE HA . 11112 1 1103 . 1 1 96 96 ILE HB H 1 1.509 0.030 . 1 . . . . 96 ILE HB . 11112 1 1104 . 1 1 96 96 ILE HD11 H 1 0.739 0.030 . 1 . . . . 96 ILE HD1 . 11112 1 1105 . 1 1 96 96 ILE HD12 H 1 0.739 0.030 . 1 . . . . 96 ILE HD1 . 11112 1 1106 . 1 1 96 96 ILE HD13 H 1 0.739 0.030 . 1 . . . . 96 ILE HD1 . 11112 1 1107 . 1 1 96 96 ILE HG12 H 1 1.392 0.030 . 2 . . . . 96 ILE HG12 . 11112 1 1108 . 1 1 96 96 ILE HG13 H 1 1.192 0.030 . 2 . . . . 96 ILE HG13 . 11112 1 1109 . 1 1 96 96 ILE HG21 H 1 0.831 0.030 . 1 . . . . 96 ILE HG2 . 11112 1 1110 . 1 1 96 96 ILE HG22 H 1 0.831 0.030 . 1 . . . . 96 ILE HG2 . 11112 1 1111 . 1 1 96 96 ILE HG23 H 1 0.831 0.030 . 1 . . . . 96 ILE HG2 . 11112 1 1112 . 1 1 96 96 ILE C C 13 175.328 0.300 . 1 . . . . 96 ILE C . 11112 1 1113 . 1 1 96 96 ILE CA C 13 58.610 0.300 . 1 . . . . 96 ILE CA . 11112 1 1114 . 1 1 96 96 ILE CB C 13 42.108 0.300 . 1 . . . . 96 ILE CB . 11112 1 1115 . 1 1 96 96 ILE CD1 C 13 14.716 0.300 . 1 . . . . 96 ILE CD1 . 11112 1 1116 . 1 1 96 96 ILE CG1 C 13 29.038 0.300 . 1 . . . . 96 ILE CG1 . 11112 1 1117 . 1 1 96 96 ILE CG2 C 13 18.144 0.300 . 1 . . . . 96 ILE CG2 . 11112 1 1118 . 1 1 96 96 ILE N N 15 126.989 0.300 . 1 . . . . 96 ILE N . 11112 1 1119 . 1 1 97 97 THR H H 1 9.309 0.030 . 1 . . . . 97 THR H . 11112 1 1120 . 1 1 97 97 THR HA H 1 5.364 0.030 . 1 . . . . 97 THR HA . 11112 1 1121 . 1 1 97 97 THR HB H 1 3.706 0.030 . 1 . . . . 97 THR HB . 11112 1 1122 . 1 1 97 97 THR HG21 H 1 0.450 0.030 . 1 . . . . 97 THR HG2 . 11112 1 1123 . 1 1 97 97 THR HG22 H 1 0.450 0.030 . 1 . . . . 97 THR HG2 . 11112 1 1124 . 1 1 97 97 THR HG23 H 1 0.450 0.030 . 1 . . . . 97 THR HG2 . 11112 1 1125 . 1 1 97 97 THR C C 13 173.660 0.300 . 1 . . . . 97 THR C . 11112 1 1126 . 1 1 97 97 THR CA C 13 57.988 0.300 . 1 . . . . 97 THR CA . 11112 1 1127 . 1 1 97 97 THR CB C 13 72.323 0.300 . 1 . . . . 97 THR CB . 11112 1 1128 . 1 1 97 97 THR CG2 C 13 22.005 0.300 . 1 . . . . 97 THR CG2 . 11112 1 1129 . 1 1 97 97 THR N N 15 114.265 0.300 . 1 . . . . 97 THR N . 11112 1 1130 . 1 1 98 98 LEU H H 1 8.153 0.030 . 1 . . . . 98 LEU H . 11112 1 1131 . 1 1 98 98 LEU HA H 1 5.086 0.030 . 1 . . . . 98 LEU HA . 11112 1 1132 . 1 1 98 98 LEU HB2 H 1 1.562 0.030 . 2 . . . . 98 LEU HB2 . 11112 1 1133 . 1 1 98 98 LEU HB3 H 1 1.081 0.030 . 2 . . . . 98 LEU HB3 . 11112 1 1134 . 1 1 98 98 LEU HD11 H 1 -0.163 0.030 . 1 . . . . 98 LEU HD1 . 11112 1 1135 . 1 1 98 98 LEU HD12 H 1 -0.163 0.030 . 1 . . . . 98 LEU HD1 . 11112 1 1136 . 1 1 98 98 LEU HD13 H 1 -0.163 0.030 . 1 . . . . 98 LEU HD1 . 11112 1 1137 . 1 1 98 98 LEU HD21 H 1 0.250 0.030 . 1 . . . . 98 LEU HD2 . 11112 1 1138 . 1 1 98 98 LEU HD22 H 1 0.250 0.030 . 1 . . . . 98 LEU HD2 . 11112 1 1139 . 1 1 98 98 LEU HD23 H 1 0.250 0.030 . 1 . . . . 98 LEU HD2 . 11112 1 1140 . 1 1 98 98 LEU HG H 1 0.981 0.030 . 1 . . . . 98 LEU HG . 11112 1 1141 . 1 1 98 98 LEU C C 13 174.751 0.300 . 1 . . . . 98 LEU C . 11112 1 1142 . 1 1 98 98 LEU CA C 13 53.068 0.300 . 1 . . . . 98 LEU CA . 11112 1 1143 . 1 1 98 98 LEU CB C 13 47.589 0.300 . 1 . . . . 98 LEU CB . 11112 1 1144 . 1 1 98 98 LEU CD1 C 13 23.975 0.300 . 2 . . . . 98 LEU CD1 . 11112 1 1145 . 1 1 98 98 LEU CD2 C 13 26.995 0.300 . 2 . . . . 98 LEU CD2 . 11112 1 1146 . 1 1 98 98 LEU CG C 13 27.821 0.300 . 1 . . . . 98 LEU CG . 11112 1 1147 . 1 1 98 98 LEU N N 15 121.294 0.300 . 1 . . . . 98 LEU N . 11112 1 1148 . 1 1 99 99 LYS H H 1 8.398 0.030 . 1 . . . . 99 LYS H . 11112 1 1149 . 1 1 99 99 LYS HA H 1 4.661 0.030 . 1 . . . . 99 LYS HA . 11112 1 1150 . 1 1 99 99 LYS HB2 H 1 1.600 0.030 . 2 . . . . 99 LYS HB2 . 11112 1 1151 . 1 1 99 99 LYS HB3 H 1 1.509 0.030 . 2 . . . . 99 LYS HB3 . 11112 1 1152 . 1 1 99 99 LYS HD2 H 1 1.693 0.030 . 2 . . . . 99 LYS HD2 . 11112 1 1153 . 1 1 99 99 LYS HD3 H 1 1.519 0.030 . 2 . . . . 99 LYS HD3 . 11112 1 1154 . 1 1 99 99 LYS HE2 H 1 2.755 0.030 . 1 . . . . 99 LYS HE2 . 11112 1 1155 . 1 1 99 99 LYS HE3 H 1 2.755 0.030 . 1 . . . . 99 LYS HE3 . 11112 1 1156 . 1 1 99 99 LYS HG2 H 1 1.284 0.030 . 2 . . . . 99 LYS HG2 . 11112 1 1157 . 1 1 99 99 LYS HG3 H 1 1.257 0.030 . 2 . . . . 99 LYS HG3 . 11112 1 1158 . 1 1 99 99 LYS C C 13 174.874 0.300 . 1 . . . . 99 LYS C . 11112 1 1159 . 1 1 99 99 LYS CA C 13 53.931 0.300 . 1 . . . . 99 LYS CA . 11112 1 1160 . 1 1 99 99 LYS CB C 13 36.699 0.300 . 1 . . . . 99 LYS CB . 11112 1 1161 . 1 1 99 99 LYS CD C 13 30.370 0.300 . 1 . . . . 99 LYS CD . 11112 1 1162 . 1 1 99 99 LYS CE C 13 42.129 0.300 . 1 . . . . 99 LYS CE . 11112 1 1163 . 1 1 99 99 LYS CG C 13 24.510 0.300 . 1 . . . . 99 LYS CG . 11112 1 1164 . 1 1 99 99 LYS N N 15 121.865 0.300 . 1 . . . . 99 LYS N . 11112 1 1165 . 1 1 100 100 ALA H H 1 9.495 0.030 . 1 . . . . 100 ALA H . 11112 1 1166 . 1 1 100 100 ALA HA H 1 4.756 0.030 . 1 . . . . 100 ALA HA . 11112 1 1167 . 1 1 100 100 ALA HB1 H 1 1.247 0.030 . 1 . . . . 100 ALA HB . 11112 1 1168 . 1 1 100 100 ALA HB2 H 1 1.247 0.030 . 1 . . . . 100 ALA HB . 11112 1 1169 . 1 1 100 100 ALA HB3 H 1 1.247 0.030 . 1 . . . . 100 ALA HB . 11112 1 1170 . 1 1 100 100 ALA C C 13 176.026 0.300 . 1 . . . . 100 ALA C . 11112 1 1171 . 1 1 100 100 ALA CA C 13 50.279 0.300 . 1 . . . . 100 ALA CA . 11112 1 1172 . 1 1 100 100 ALA CB C 13 21.185 0.300 . 1 . . . . 100 ALA CB . 11112 1 1173 . 1 1 100 100 ALA N N 15 124.907 0.300 . 1 . . . . 100 ALA N . 11112 1 1174 . 1 1 101 101 PHE H H 1 8.179 0.030 . 1 . . . . 101 PHE H . 11112 1 1175 . 1 1 101 101 PHE HA H 1 5.438 0.030 . 1 . . . . 101 PHE HA . 11112 1 1176 . 1 1 101 101 PHE HB2 H 1 3.177 0.030 . 2 . . . . 101 PHE HB2 . 11112 1 1177 . 1 1 101 101 PHE HB3 H 1 2.591 0.030 . 2 . . . . 101 PHE HB3 . 11112 1 1178 . 1 1 101 101 PHE HD1 H 1 6.709 0.030 . 1 . . . . 101 PHE HD1 . 11112 1 1179 . 1 1 101 101 PHE HD2 H 1 6.709 0.030 . 1 . . . . 101 PHE HD2 . 11112 1 1180 . 1 1 101 101 PHE HE1 H 1 7.070 0.030 . 1 . . . . 101 PHE HE1 . 11112 1 1181 . 1 1 101 101 PHE HE2 H 1 7.070 0.030 . 1 . . . . 101 PHE HE2 . 11112 1 1182 . 1 1 101 101 PHE HZ H 1 7.205 0.030 . 1 . . . . 101 PHE HZ . 11112 1 1183 . 1 1 101 101 PHE C C 13 173.771 0.300 . 1 . . . . 101 PHE C . 11112 1 1184 . 1 1 101 101 PHE CA C 13 55.748 0.300 . 1 . . . . 101 PHE CA . 11112 1 1185 . 1 1 101 101 PHE CB C 13 43.812 0.300 . 1 . . . . 101 PHE CB . 11112 1 1186 . 1 1 101 101 PHE CD1 C 13 132.301 0.300 . 1 . . . . 101 PHE CD1 . 11112 1 1187 . 1 1 101 101 PHE CD2 C 13 132.301 0.300 . 1 . . . . 101 PHE CD2 . 11112 1 1188 . 1 1 101 101 PHE CE1 C 13 130.941 0.300 . 1 . . . . 101 PHE CE1 . 11112 1 1189 . 1 1 101 101 PHE CE2 C 13 130.941 0.300 . 1 . . . . 101 PHE CE2 . 11112 1 1190 . 1 1 101 101 PHE CZ C 13 129.813 0.300 . 1 . . . . 101 PHE CZ . 11112 1 1191 . 1 1 101 101 PHE N N 15 114.545 0.300 . 1 . . . . 101 PHE N . 11112 1 1192 . 1 1 102 102 ASN H H 1 9.068 0.030 . 1 . . . . 102 ASN H . 11112 1 1193 . 1 1 102 102 ASN HA H 1 4.258 0.030 . 1 . . . . 102 ASN HA . 11112 1 1194 . 1 1 102 102 ASN HB2 H 1 3.880 0.030 . 2 . . . . 102 ASN HB2 . 11112 1 1195 . 1 1 102 102 ASN HB3 H 1 3.287 0.030 . 2 . . . . 102 ASN HB3 . 11112 1 1196 . 1 1 102 102 ASN HD21 H 1 8.285 0.030 . 2 . . . . 102 ASN HD21 . 11112 1 1197 . 1 1 102 102 ASN HD22 H 1 8.146 0.030 . 2 . . . . 102 ASN HD22 . 11112 1 1198 . 1 1 102 102 ASN C C 13 175.196 0.300 . 1 . . . . 102 ASN C . 11112 1 1199 . 1 1 102 102 ASN CA C 13 52.357 0.300 . 1 . . . . 102 ASN CA . 11112 1 1200 . 1 1 102 102 ASN CB C 13 38.372 0.300 . 1 . . . . 102 ASN CB . 11112 1 1201 . 1 1 102 102 ASN N N 15 121.321 0.300 . 1 . . . . 102 ASN N . 11112 1 1202 . 1 1 102 102 ASN ND2 N 15 110.462 0.300 . 1 . . . . 102 ASN ND2 . 11112 1 1203 . 1 1 103 103 ASN H H 1 9.704 0.030 . 1 . . . . 103 ASN H . 11112 1 1204 . 1 1 103 103 ASN HA H 1 4.467 0.030 . 1 . . . . 103 ASN HA . 11112 1 1205 . 1 1 103 103 ASN HB2 H 1 2.862 0.030 . 2 . . . . 103 ASN HB2 . 11112 1 1206 . 1 1 103 103 ASN HB3 H 1 2.610 0.030 . 2 . . . . 103 ASN HB3 . 11112 1 1207 . 1 1 103 103 ASN HD21 H 1 7.507 0.030 . 2 . . . . 103 ASN HD21 . 11112 1 1208 . 1 1 103 103 ASN HD22 H 1 6.794 0.030 . 2 . . . . 103 ASN HD22 . 11112 1 1209 . 1 1 103 103 ASN C C 13 177.299 0.300 . 1 . . . . 103 ASN C . 11112 1 1210 . 1 1 103 103 ASN CA C 13 55.456 0.300 . 1 . . . . 103 ASN CA . 11112 1 1211 . 1 1 103 103 ASN CB C 13 37.448 0.300 . 1 . . . . 103 ASN CB . 11112 1 1212 . 1 1 103 103 ASN N N 15 116.122 0.300 . 1 . . . . 103 ASN N . 11112 1 1213 . 1 1 103 103 ASN ND2 N 15 109.998 0.300 . 1 . . . . 103 ASN ND2 . 11112 1 1214 . 1 1 104 104 VAL H H 1 8.304 0.030 . 1 . . . . 104 VAL H . 11112 1 1215 . 1 1 104 104 VAL HA H 1 3.815 0.030 . 1 . . . . 104 VAL HA . 11112 1 1216 . 1 1 104 104 VAL HB H 1 1.967 0.030 . 1 . . . . 104 VAL HB . 11112 1 1217 . 1 1 104 104 VAL HG11 H 1 0.795 0.030 . 1 . . . . 104 VAL HG1 . 11112 1 1218 . 1 1 104 104 VAL HG12 H 1 0.795 0.030 . 1 . . . . 104 VAL HG1 . 11112 1 1219 . 1 1 104 104 VAL HG13 H 1 0.795 0.030 . 1 . . . . 104 VAL HG1 . 11112 1 1220 . 1 1 104 104 VAL HG21 H 1 0.538 0.030 . 1 . . . . 104 VAL HG2 . 11112 1 1221 . 1 1 104 104 VAL HG22 H 1 0.538 0.030 . 1 . . . . 104 VAL HG2 . 11112 1 1222 . 1 1 104 104 VAL HG23 H 1 0.538 0.030 . 1 . . . . 104 VAL HG2 . 11112 1 1223 . 1 1 104 104 VAL C C 13 176.369 0.300 . 1 . . . . 104 VAL C . 11112 1 1224 . 1 1 104 104 VAL CA C 13 63.961 0.300 . 1 . . . . 104 VAL CA . 11112 1 1225 . 1 1 104 104 VAL CB C 13 31.372 0.300 . 1 . . . . 104 VAL CB . 11112 1 1226 . 1 1 104 104 VAL CG1 C 13 22.024 0.300 . 2 . . . . 104 VAL CG1 . 11112 1 1227 . 1 1 104 104 VAL CG2 C 13 22.793 0.300 . 2 . . . . 104 VAL CG2 . 11112 1 1228 . 1 1 104 104 VAL N N 15 118.792 0.300 . 1 . . . . 104 VAL N . 11112 1 1229 . 1 1 105 105 GLY H H 1 7.411 0.030 . 1 . . . . 105 GLY H . 11112 1 1230 . 1 1 105 105 GLY HA2 H 1 4.347 0.030 . 2 . . . . 105 GLY HA2 . 11112 1 1231 . 1 1 105 105 GLY HA3 H 1 3.876 0.030 . 2 . . . . 105 GLY HA3 . 11112 1 1232 . 1 1 105 105 GLY C C 13 171.557 0.300 . 1 . . . . 105 GLY C . 11112 1 1233 . 1 1 105 105 GLY CA C 13 44.719 0.300 . 1 . . . . 105 GLY CA . 11112 1 1234 . 1 1 105 105 GLY N N 15 106.572 0.300 . 1 . . . . 105 GLY N . 11112 1 1235 . 1 1 106 106 GLU H H 1 8.406 0.030 . 1 . . . . 106 GLU H . 11112 1 1236 . 1 1 106 106 GLU HA H 1 4.672 0.030 . 1 . . . . 106 GLU HA . 11112 1 1237 . 1 1 106 106 GLU HB2 H 1 2.004 0.030 . 2 . . . . 106 GLU HB2 . 11112 1 1238 . 1 1 106 106 GLU HG2 H 1 2.290 0.030 . 2 . . . . 106 GLU HG2 . 11112 1 1239 . 1 1 106 106 GLU HG3 H 1 2.014 0.030 . 2 . . . . 106 GLU HG3 . 11112 1 1240 . 1 1 106 106 GLU C C 13 176.834 0.300 . 1 . . . . 106 GLU C . 11112 1 1241 . 1 1 106 106 GLU CA C 13 54.766 0.300 . 1 . . . . 106 GLU CA . 11112 1 1242 . 1 1 106 106 GLU CB C 13 32.083 0.300 . 1 . . . . 106 GLU CB . 11112 1 1243 . 1 1 106 106 GLU CG C 13 36.347 0.300 . 1 . . . . 106 GLU CG . 11112 1 1244 . 1 1 106 106 GLU N N 15 118.181 0.300 . 1 . . . . 106 GLU N . 11112 1 1245 . 1 1 107 107 GLY H H 1 8.772 0.030 . 1 . . . . 107 GLY H . 11112 1 1246 . 1 1 107 107 GLY HA2 H 1 4.215 0.030 . 2 . . . . 107 GLY HA2 . 11112 1 1247 . 1 1 107 107 GLY HA3 H 1 3.963 0.030 . 2 . . . . 107 GLY HA3 . 11112 1 1248 . 1 1 107 107 GLY C C 13 173.337 0.300 . 1 . . . . 107 GLY C . 11112 1 1249 . 1 1 107 107 GLY CA C 13 44.264 0.300 . 1 . . . . 107 GLY CA . 11112 1 1250 . 1 1 107 107 GLY N N 15 108.579 0.300 . 1 . . . . 107 GLY N . 11112 1 1251 . 1 1 108 108 ILE H H 1 8.067 0.030 . 1 . . . . 108 ILE H . 11112 1 1252 . 1 1 108 108 ILE HA H 1 4.247 0.030 . 1 . . . . 108 ILE HA . 11112 1 1253 . 1 1 108 108 ILE HB H 1 1.782 0.030 . 1 . . . . 108 ILE HB . 11112 1 1254 . 1 1 108 108 ILE HD11 H 1 0.941 0.030 . 1 . . . . 108 ILE HD1 . 11112 1 1255 . 1 1 108 108 ILE HD12 H 1 0.941 0.030 . 1 . . . . 108 ILE HD1 . 11112 1 1256 . 1 1 108 108 ILE HD13 H 1 0.941 0.030 . 1 . . . . 108 ILE HD1 . 11112 1 1257 . 1 1 108 108 ILE HG12 H 1 1.644 0.030 . 2 . . . . 108 ILE HG12 . 11112 1 1258 . 1 1 108 108 ILE HG13 H 1 1.345 0.030 . 2 . . . . 108 ILE HG13 . 11112 1 1259 . 1 1 108 108 ILE HG21 H 1 1.102 0.030 . 1 . . . . 108 ILE HG2 . 11112 1 1260 . 1 1 108 108 ILE HG22 H 1 1.102 0.030 . 1 . . . . 108 ILE HG2 . 11112 1 1261 . 1 1 108 108 ILE HG23 H 1 1.102 0.030 . 1 . . . . 108 ILE HG2 . 11112 1 1262 . 1 1 108 108 ILE C C 13 175.318 0.300 . 1 . . . . 108 ILE C . 11112 1 1263 . 1 1 108 108 ILE CA C 13 58.943 0.300 . 1 . . . . 108 ILE CA . 11112 1 1264 . 1 1 108 108 ILE CB C 13 39.041 0.300 . 1 . . . . 108 ILE CB . 11112 1 1265 . 1 1 108 108 ILE CD1 C 13 12.795 0.300 . 1 . . . . 108 ILE CD1 . 11112 1 1266 . 1 1 108 108 ILE CG1 C 13 27.824 0.300 . 1 . . . . 108 ILE CG1 . 11112 1 1267 . 1 1 108 108 ILE CG2 C 13 16.980 0.300 . 1 . . . . 108 ILE CG2 . 11112 1 1268 . 1 1 108 108 ILE N N 15 118.539 0.300 . 1 . . . . 108 ILE N . 11112 1 1269 . 1 1 109 109 PRO HA H 1 5.269 0.030 . 1 . . . . 109 PRO HA . 11112 1 1270 . 1 1 109 109 PRO HB2 H 1 1.632 0.030 . 2 . . . . 109 PRO HB2 . 11112 1 1271 . 1 1 109 109 PRO HB3 H 1 1.451 0.030 . 2 . . . . 109 PRO HB3 . 11112 1 1272 . 1 1 109 109 PRO HD2 H 1 3.882 0.030 . 2 . . . . 109 PRO HD2 . 11112 1 1273 . 1 1 109 109 PRO HD3 H 1 3.762 0.030 . 2 . . . . 109 PRO HD3 . 11112 1 1274 . 1 1 109 109 PRO HG2 H 1 2.107 0.030 . 2 . . . . 109 PRO HG2 . 11112 1 1275 . 1 1 109 109 PRO HG3 H 1 1.967 0.030 . 2 . . . . 109 PRO HG3 . 11112 1 1276 . 1 1 109 109 PRO C C 13 178.369 0.300 . 1 . . . . 109 PRO C . 11112 1 1277 . 1 1 109 109 PRO CA C 13 61.681 0.300 . 1 . . . . 109 PRO CA . 11112 1 1278 . 1 1 109 109 PRO CB C 13 32.392 0.300 . 1 . . . . 109 PRO CB . 11112 1 1279 . 1 1 109 109 PRO CD C 13 50.755 0.300 . 1 . . . . 109 PRO CD . 11112 1 1280 . 1 1 109 109 PRO CG C 13 26.189 0.300 . 1 . . . . 109 PRO CG . 11112 1 1281 . 1 1 110 110 LEU H H 1 8.036 0.030 . 1 . . . . 110 LEU H . 11112 1 1282 . 1 1 110 110 LEU HA H 1 4.707 0.030 . 1 . . . . 110 LEU HA . 11112 1 1283 . 1 1 110 110 LEU HB2 H 1 1.591 0.030 . 2 . . . . 110 LEU HB2 . 11112 1 1284 . 1 1 110 110 LEU HB3 H 1 1.524 0.030 . 2 . . . . 110 LEU HB3 . 11112 1 1285 . 1 1 110 110 LEU HD11 H 1 0.787 0.030 . 1 . . . . 110 LEU HD1 . 11112 1 1286 . 1 1 110 110 LEU HD12 H 1 0.787 0.030 . 1 . . . . 110 LEU HD1 . 11112 1 1287 . 1 1 110 110 LEU HD13 H 1 0.787 0.030 . 1 . . . . 110 LEU HD1 . 11112 1 1288 . 1 1 110 110 LEU HD21 H 1 0.985 0.030 . 1 . . . . 110 LEU HD2 . 11112 1 1289 . 1 1 110 110 LEU HD22 H 1 0.985 0.030 . 1 . . . . 110 LEU HD2 . 11112 1 1290 . 1 1 110 110 LEU HD23 H 1 0.985 0.030 . 1 . . . . 110 LEU HD2 . 11112 1 1291 . 1 1 110 110 LEU HG H 1 1.676 0.030 . 1 . . . . 110 LEU HG . 11112 1 1292 . 1 1 110 110 LEU C C 13 175.831 0.300 . 1 . . . . 110 LEU C . 11112 1 1293 . 1 1 110 110 LEU CA C 13 54.092 0.300 . 1 . . . . 110 LEU CA . 11112 1 1294 . 1 1 110 110 LEU CB C 13 45.437 0.300 . 1 . . . . 110 LEU CB . 11112 1 1295 . 1 1 110 110 LEU CD1 C 13 26.093 0.300 . 2 . . . . 110 LEU CD1 . 11112 1 1296 . 1 1 110 110 LEU CD2 C 13 22.822 0.300 . 2 . . . . 110 LEU CD2 . 11112 1 1297 . 1 1 110 110 LEU CG C 13 27.226 0.300 . 1 . . . . 110 LEU CG . 11112 1 1298 . 1 1 110 110 LEU N N 15 115.883 0.300 . 1 . . . . 110 LEU N . 11112 1 1299 . 1 1 111 111 TYR H H 1 8.359 0.030 . 1 . . . . 111 TYR H . 11112 1 1300 . 1 1 111 111 TYR HA H 1 5.314 0.030 . 1 . . . . 111 TYR HA . 11112 1 1301 . 1 1 111 111 TYR HB2 H 1 2.839 0.030 . 2 . . . . 111 TYR HB2 . 11112 1 1302 . 1 1 111 111 TYR HB3 H 1 2.771 0.030 . 2 . . . . 111 TYR HB3 . 11112 1 1303 . 1 1 111 111 TYR HD1 H 1 6.945 0.030 . 1 . . . . 111 TYR HD1 . 11112 1 1304 . 1 1 111 111 TYR HD2 H 1 6.945 0.030 . 1 . . . . 111 TYR HD2 . 11112 1 1305 . 1 1 111 111 TYR HE1 H 1 6.672 0.030 . 1 . . . . 111 TYR HE1 . 11112 1 1306 . 1 1 111 111 TYR HE2 H 1 6.672 0.030 . 1 . . . . 111 TYR HE2 . 11112 1 1307 . 1 1 111 111 TYR C C 13 176.420 0.300 . 1 . . . . 111 TYR C . 11112 1 1308 . 1 1 111 111 TYR CA C 13 56.820 0.300 . 1 . . . . 111 TYR CA . 11112 1 1309 . 1 1 111 111 TYR CB C 13 42.191 0.300 . 1 . . . . 111 TYR CB . 11112 1 1310 . 1 1 111 111 TYR CD1 C 13 133.212 0.300 . 1 . . . . 111 TYR CD1 . 11112 1 1311 . 1 1 111 111 TYR CD2 C 13 133.212 0.300 . 1 . . . . 111 TYR CD2 . 11112 1 1312 . 1 1 111 111 TYR CE1 C 13 118.050 0.300 . 1 . . . . 111 TYR CE1 . 11112 1 1313 . 1 1 111 111 TYR CE2 C 13 118.050 0.300 . 1 . . . . 111 TYR CE2 . 11112 1 1314 . 1 1 111 111 TYR N N 15 118.396 0.300 . 1 . . . . 111 TYR N . 11112 1 1315 . 1 1 112 112 GLU H H 1 9.441 0.030 . 1 . . . . 112 GLU H . 11112 1 1316 . 1 1 112 112 GLU HA H 1 4.717 0.030 . 1 . . . . 112 GLU HA . 11112 1 1317 . 1 1 112 112 GLU HB2 H 1 1.934 0.030 . 2 . . . . 112 GLU HB2 . 11112 1 1318 . 1 1 112 112 GLU HB3 H 1 1.588 0.030 . 2 . . . . 112 GLU HB3 . 11112 1 1319 . 1 1 112 112 GLU HG2 H 1 2.580 0.030 . 2 . . . . 112 GLU HG2 . 11112 1 1320 . 1 1 112 112 GLU HG3 H 1 2.295 0.030 . 2 . . . . 112 GLU HG3 . 11112 1 1321 . 1 1 112 112 GLU C C 13 175.217 0.300 . 1 . . . . 112 GLU C . 11112 1 1322 . 1 1 112 112 GLU CA C 13 55.250 0.300 . 1 . . . . 112 GLU CA . 11112 1 1323 . 1 1 112 112 GLU CB C 13 36.430 0.300 . 1 . . . . 112 GLU CB . 11112 1 1324 . 1 1 112 112 GLU CG C 13 37.285 0.300 . 1 . . . . 112 GLU CG . 11112 1 1325 . 1 1 112 112 GLU N N 15 123.163 0.300 . 1 . . . . 112 GLU N . 11112 1 1326 . 1 1 113 113 SER H H 1 9.191 0.030 . 1 . . . . 113 SER H . 11112 1 1327 . 1 1 113 113 SER HA H 1 5.367 0.030 . 1 . . . . 113 SER HA . 11112 1 1328 . 1 1 113 113 SER HB2 H 1 3.895 0.030 . 1 . . . . 113 SER HB2 . 11112 1 1329 . 1 1 113 113 SER HB3 H 1 3.895 0.030 . 1 . . . . 113 SER HB3 . 11112 1 1330 . 1 1 113 113 SER C C 13 172.730 0.300 . 1 . . . . 113 SER C . 11112 1 1331 . 1 1 113 113 SER CA C 13 57.586 0.300 . 1 . . . . 113 SER CA . 11112 1 1332 . 1 1 113 113 SER CB C 13 65.894 0.300 . 1 . . . . 113 SER CB . 11112 1 1333 . 1 1 113 113 SER N N 15 116.083 0.300 . 1 . . . . 113 SER N . 11112 1 1334 . 1 1 114 114 ALA H H 1 9.114 0.030 . 1 . . . . 114 ALA H . 11112 1 1335 . 1 1 114 114 ALA HA H 1 4.691 0.030 . 1 . . . . 114 ALA HA . 11112 1 1336 . 1 1 114 114 ALA HB1 H 1 1.203 0.030 . 1 . . . . 114 ALA HB . 11112 1 1337 . 1 1 114 114 ALA HB2 H 1 1.203 0.030 . 1 . . . . 114 ALA HB . 11112 1 1338 . 1 1 114 114 ALA HB3 H 1 1.203 0.030 . 1 . . . . 114 ALA HB . 11112 1 1339 . 1 1 114 114 ALA C C 13 174.114 0.300 . 1 . . . . 114 ALA C . 11112 1 1340 . 1 1 114 114 ALA CA C 13 51.143 0.300 . 1 . . . . 114 ALA CA . 11112 1 1341 . 1 1 114 114 ALA CB C 13 23.142 0.300 . 1 . . . . 114 ALA CB . 11112 1 1342 . 1 1 114 114 ALA N N 15 123.927 0.300 . 1 . . . . 114 ALA N . 11112 1 1343 . 1 1 115 115 VAL H H 1 8.351 0.030 . 1 . . . . 115 VAL H . 11112 1 1344 . 1 1 115 115 VAL HA H 1 5.247 0.030 . 1 . . . . 115 VAL HA . 11112 1 1345 . 1 1 115 115 VAL HB H 1 1.789 0.030 . 1 . . . . 115 VAL HB . 11112 1 1346 . 1 1 115 115 VAL HG11 H 1 0.784 0.030 . 1 . . . . 115 VAL HG1 . 11112 1 1347 . 1 1 115 115 VAL HG12 H 1 0.784 0.030 . 1 . . . . 115 VAL HG1 . 11112 1 1348 . 1 1 115 115 VAL HG13 H 1 0.784 0.030 . 1 . . . . 115 VAL HG1 . 11112 1 1349 . 1 1 115 115 VAL HG21 H 1 0.673 0.030 . 1 . . . . 115 VAL HG2 . 11112 1 1350 . 1 1 115 115 VAL HG22 H 1 0.673 0.030 . 1 . . . . 115 VAL HG2 . 11112 1 1351 . 1 1 115 115 VAL HG23 H 1 0.673 0.030 . 1 . . . . 115 VAL HG2 . 11112 1 1352 . 1 1 115 115 VAL C C 13 177.563 0.300 . 1 . . . . 115 VAL C . 11112 1 1353 . 1 1 115 115 VAL CA C 13 59.548 0.300 . 1 . . . . 115 VAL CA . 11112 1 1354 . 1 1 115 115 VAL CB C 13 32.819 0.300 . 1 . . . . 115 VAL CB . 11112 1 1355 . 1 1 115 115 VAL CG1 C 13 20.465 0.300 . 2 . . . . 115 VAL CG1 . 11112 1 1356 . 1 1 115 115 VAL CG2 C 13 21.058 0.300 . 2 . . . . 115 VAL CG2 . 11112 1 1357 . 1 1 115 115 VAL N N 15 122.500 0.300 . 1 . . . . 115 VAL N . 11112 1 1358 . 1 1 116 116 THR H H 1 9.263 0.030 . 1 . . . . 116 THR H . 11112 1 1359 . 1 1 116 116 THR HA H 1 4.322 0.030 . 1 . . . . 116 THR HA . 11112 1 1360 . 1 1 116 116 THR HB H 1 5.066 0.030 . 1 . . . . 116 THR HB . 11112 1 1361 . 1 1 116 116 THR HG21 H 1 0.992 0.030 . 1 . . . . 116 THR HG2 . 11112 1 1362 . 1 1 116 116 THR HG22 H 1 0.992 0.030 . 1 . . . . 116 THR HG2 . 11112 1 1363 . 1 1 116 116 THR HG23 H 1 0.992 0.030 . 1 . . . . 116 THR HG2 . 11112 1 1364 . 1 1 116 116 THR C C 13 175.985 0.300 . 1 . . . . 116 THR C . 11112 1 1365 . 1 1 116 116 THR CA C 13 61.819 0.300 . 1 . . . . 116 THR CA . 11112 1 1366 . 1 1 116 116 THR CB C 13 69.304 0.300 . 1 . . . . 116 THR CB . 11112 1 1367 . 1 1 116 116 THR CG2 C 13 24.163 0.300 . 1 . . . . 116 THR CG2 . 11112 1 1368 . 1 1 116 116 THR N N 15 116.984 0.300 . 1 . . . . 116 THR N . 11112 1 1369 . 1 1 117 117 ARG H H 1 8.559 0.030 . 1 . . . . 117 ARG H . 11112 1 1370 . 1 1 117 117 ARG HA H 1 4.362 0.030 . 1 . . . . 117 ARG HA . 11112 1 1371 . 1 1 117 117 ARG HB2 H 1 1.414 0.030 . 2 . . . . 117 ARG HB2 . 11112 1 1372 . 1 1 117 117 ARG HB3 H 1 2.121 0.030 . 2 . . . . 117 ARG HB3 . 11112 1 1373 . 1 1 117 117 ARG HD2 H 1 3.244 0.030 . 1 . . . . 117 ARG HD2 . 11112 1 1374 . 1 1 117 117 ARG HD3 H 1 3.244 0.030 . 1 . . . . 117 ARG HD3 . 11112 1 1375 . 1 1 117 117 ARG HG2 H 1 1.767 0.030 . 1 . . . . 117 ARG HG2 . 11112 1 1376 . 1 1 117 117 ARG HG3 H 1 1.767 0.030 . 1 . . . . 117 ARG HG3 . 11112 1 1377 . 1 1 117 117 ARG C C 13 173.698 0.300 . 1 . . . . 117 ARG C . 11112 1 1378 . 1 1 117 117 ARG CA C 13 54.844 0.300 . 1 . . . . 117 ARG CA . 11112 1 1379 . 1 1 117 117 ARG CB C 13 30.223 0.300 . 1 . . . . 117 ARG CB . 11112 1 1380 . 1 1 117 117 ARG CD C 13 43.376 0.300 . 1 . . . . 117 ARG CD . 11112 1 1381 . 1 1 117 117 ARG CG C 13 27.981 0.300 . 1 . . . . 117 ARG CG . 11112 1 1382 . 1 1 117 117 ARG N N 15 120.982 0.300 . 1 . . . . 117 ARG N . 11112 1 1383 . 1 1 118 118 PRO HA H 1 4.725 0.030 . 1 . . . . 118 PRO HA . 11112 1 1384 . 1 1 118 118 PRO HB2 H 1 2.222 0.030 . 2 . . . . 118 PRO HB2 . 11112 1 1385 . 1 1 118 118 PRO HB3 H 1 1.891 0.030 . 2 . . . . 118 PRO HB3 . 11112 1 1386 . 1 1 118 118 PRO HD2 H 1 3.766 0.030 . 2 . . . . 118 PRO HD2 . 11112 1 1387 . 1 1 118 118 PRO HD3 H 1 3.598 0.030 . 2 . . . . 118 PRO HD3 . 11112 1 1388 . 1 1 118 118 PRO HG2 H 1 1.980 0.030 . 2 . . . . 118 PRO HG2 . 11112 1 1389 . 1 1 118 118 PRO C C 13 176.914 0.300 . 1 . . . . 118 PRO C . 11112 1 1390 . 1 1 118 118 PRO CA C 13 62.281 0.300 . 1 . . . . 118 PRO CA . 11112 1 1391 . 1 1 118 118 PRO CB C 13 32.130 0.300 . 1 . . . . 118 PRO CB . 11112 1 1392 . 1 1 118 118 PRO CD C 13 49.758 0.300 . 1 . . . . 118 PRO CD . 11112 1 1393 . 1 1 118 118 PRO CG C 13 27.132 0.300 . 1 . . . . 118 PRO CG . 11112 1 1394 . 1 1 119 119 HIS H H 1 8.433 0.030 . 1 . . . . 119 HIS H . 11112 1 1395 . 1 1 119 119 HIS HA H 1 4.547 0.030 . 1 . . . . 119 HIS HA . 11112 1 1396 . 1 1 119 119 HIS HB2 H 1 3.055 0.030 . 2 . . . . 119 HIS HB2 . 11112 1 1397 . 1 1 119 119 HIS HB3 H 1 2.951 0.030 . 2 . . . . 119 HIS HB3 . 11112 1 1398 . 1 1 119 119 HIS HD2 H 1 7.006 0.030 . 1 . . . . 119 HIS HD2 . 11112 1 1399 . 1 1 119 119 HIS HE1 H 1 7.760 0.030 . 1 . . . . 119 HIS HE1 . 11112 1 1400 . 1 1 119 119 HIS C C 13 176.309 0.300 . 1 . . . . 119 HIS C . 11112 1 1401 . 1 1 119 119 HIS CA C 13 57.248 0.300 . 1 . . . . 119 HIS CA . 11112 1 1402 . 1 1 119 119 HIS CB C 13 31.378 0.300 . 1 . . . . 119 HIS CB . 11112 1 1403 . 1 1 119 119 HIS CD2 C 13 119.120 0.300 . 1 . . . . 119 HIS CD2 . 11112 1 1404 . 1 1 119 119 HIS CE1 C 13 138.738 0.300 . 1 . . . . 119 HIS CE1 . 11112 1 1405 . 1 1 119 119 HIS N N 15 118.563 0.300 . 1 . . . . 119 HIS N . 11112 1 1406 . 1 1 120 120 THR H H 1 7.980 0.030 . 1 . . . . 120 THR H . 11112 1 1407 . 1 1 120 120 THR HA H 1 4.362 0.030 . 1 . . . . 120 THR HA . 11112 1 1408 . 1 1 120 120 THR HB H 1 4.221 0.030 . 1 . . . . 120 THR HB . 11112 1 1409 . 1 1 120 120 THR HG21 H 1 1.152 0.030 . 1 . . . . 120 THR HG2 . 11112 1 1410 . 1 1 120 120 THR HG22 H 1 1.152 0.030 . 1 . . . . 120 THR HG2 . 11112 1 1411 . 1 1 120 120 THR HG23 H 1 1.152 0.030 . 1 . . . . 120 THR HG2 . 11112 1 1412 . 1 1 120 120 THR C C 13 174.164 0.300 . 1 . . . . 120 THR C . 11112 1 1413 . 1 1 120 120 THR CA C 13 61.415 0.300 . 1 . . . . 120 THR CA . 11112 1 1414 . 1 1 120 120 THR CB C 13 70.003 0.300 . 1 . . . . 120 THR CB . 11112 1 1415 . 1 1 120 120 THR CG2 C 13 21.461 0.300 . 1 . . . . 120 THR CG2 . 11112 1 1416 . 1 1 120 120 THR N N 15 115.775 0.300 . 1 . . . . 120 THR N . 11112 1 stop_ save_