data_17900 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 17900 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 . . . 17900 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17900 _Entry.Title ; Solution NMR Structure of BfR322 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR322 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-29 _Entry.Accession_date 2011-08-29 _Entry.Last_release_date 2011-09-19 _Entry.Original_release_date 2011-09-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Jeffrey Mills . L. . 17900 2 Hsiau Lee . W. . 17900 3 Dan Lee . . . 17900 4 Colleen Ciccosanti . . . 17900 5 Haleema Janjua . . . 17900 6 R. Nair . . . 17900 7 B. Rost . . . 17900 8 T. Acton . B. . 17900 9 R. Xiao . . . 17900 10 J. Everett . K. . 17900 11 J. Prestegard . H. . 17900 12 G. Montelione . T. . 17900 13 Thomas Szyperski . . . 17900 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17900 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17900 'Protein NMR' . 17900 'Protein Structure Initiative' . 17900 PSI-2 . 17900 'Structural Genomics' . 17900 'Target BfR322' . 17900 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17900 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 526 17900 '15N chemical shifts' 130 17900 '1H chemical shifts' 836 17900 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 . . 2011-09-19 2011-08-29 original author . 17900 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LIO 'BMRB Entry Tracking System' 17900 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17900 _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 'Northeast Structural Genomics Consortium Target BfR322' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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 Jeffrey Mills . L. . 17900 1 2 Hsiau Lee . W. . 17900 1 3 Dan Lee . . . 17900 1 4 Colleen Ciccosanti . . . 17900 1 5 Haleema Janjua . . . 17900 1 6 R. Nair . . . 17900 1 7 B. Rost . . . 17900 1 8 T. Acton . B. . 17900 1 9 R. Xiao . . . 17900 1 10 J. Everett . K. . 17900 1 11 J. Prestegard . H. . 17900 1 12 G. Montelione . T. . 17900 1 13 Thomas Szyperski . . . 17900 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17900 _Assembly.ID 1 _Assembly.Name BfR322 _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 BfR322 1 $BfR322 A . yes native no no . . . 17900 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BfR322 _Entity.Sf_category entity _Entity.Sf_framecode BfR322 _Entity.Entry_ID 17900 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BfR322 _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 ; MKKEKIHLEYLLNATSKNIL WSAISTPTGLEDWFADKVVS DDKTVTFCWGKTEQRQAGIV AIRAYSFIRFHWLDDENERD YFEIKMSYNELTGDYVLEIT DFSEADEADDLKELWDSQVS KLRRTCGFLEHHHHHH ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16122.099 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LIO . "Solution Nmr Structure Of Bfr322 From Bacteroides Fragilis, Northeast Structural Genomics Consortium Target Bfr322" . . . . . 100.00 136 100.00 100.00 1.07e-94 . . . . 17900 1 2 no DBJ BAD47341 . "conserved hypothetical protein [Bacteroides fragilis YCH46]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 3 no EMBL CAH06297 . "conserved hypothetical protein [Bacteroides fragilis NCTC 9343]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 4 no EMBL CBW21179 . "conserved hypothetical protein [Bacteroides fragilis 638R]" . . . . . 94.12 128 99.22 99.22 4.99e-87 . . . . 17900 1 5 no EMBL CDD39276 . "putative uncharacterized protein [Bacteroides fragilis CAG:47]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 6 no EMBL CUA17179 . "hypothetical protein MB0529_00520 [Bacteroides fragilis]" . . . . . 94.12 128 99.22 99.22 4.99e-87 . . . . 17900 1 7 no GB AKA54061 . "hypothetical protein VU15_02135 [Bacteroides fragilis]" . . . . . 94.12 128 99.22 99.22 4.99e-87 . . . . 17900 1 8 no GB EES88119 . "hypothetical protein BSHG_1038 [Bacteroides sp. 3_2_5]" . . . . . 94.12 128 99.22 99.22 4.99e-87 . . . . 17900 1 9 no GB EEZ26067 . "hypothetical protein HMPREF0101_02524 [Bacteroides sp. 2_1_16]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 10 no GB EGN01295 . "hypothetical protein HMPREF1018_00630 [Bacteroides sp. 2_1_56FAA]" . . . . . 94.12 128 99.22 99.22 4.99e-87 . . . . 17900 1 11 no GB EIK38783 . "hypothetical protein HMPREF1055_02303 [Bacteroides fragilis CL07T00C01]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 12 no REF WP_005784512 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 13 no REF WP_008658377 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 94.12 128 99.22 99.22 4.99e-87 . . . . 17900 1 14 no REF WP_032593332 . "hypothetical protein [Bacteroides fragilis]" . . . . . 94.12 128 99.22 99.22 4.01e-87 . . . . 17900 1 15 no REF YP_097875 . "conserved hypothetical protein [Bacteroides fragilis YCH46]" . . . . . 94.12 128 100.00 100.00 5.87e-88 . . . . 17900 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 17900 1 2 2 LYS . 17900 1 3 3 LYS . 17900 1 4 4 GLU . 17900 1 5 5 LYS . 17900 1 6 6 ILE . 17900 1 7 7 HIS . 17900 1 8 8 LEU . 17900 1 9 9 GLU . 17900 1 10 10 TYR . 17900 1 11 11 LEU . 17900 1 12 12 LEU . 17900 1 13 13 ASN . 17900 1 14 14 ALA . 17900 1 15 15 THR . 17900 1 16 16 SER . 17900 1 17 17 LYS . 17900 1 18 18 ASN . 17900 1 19 19 ILE . 17900 1 20 20 LEU . 17900 1 21 21 TRP . 17900 1 22 22 SER . 17900 1 23 23 ALA . 17900 1 24 24 ILE . 17900 1 25 25 SER . 17900 1 26 26 THR . 17900 1 27 27 PRO . 17900 1 28 28 THR . 17900 1 29 29 GLY . 17900 1 30 30 LEU . 17900 1 31 31 GLU . 17900 1 32 32 ASP . 17900 1 33 33 TRP . 17900 1 34 34 PHE . 17900 1 35 35 ALA . 17900 1 36 36 ASP . 17900 1 37 37 LYS . 17900 1 38 38 VAL . 17900 1 39 39 VAL . 17900 1 40 40 SER . 17900 1 41 41 ASP . 17900 1 42 42 ASP . 17900 1 43 43 LYS . 17900 1 44 44 THR . 17900 1 45 45 VAL . 17900 1 46 46 THR . 17900 1 47 47 PHE . 17900 1 48 48 CYS . 17900 1 49 49 TRP . 17900 1 50 50 GLY . 17900 1 51 51 LYS . 17900 1 52 52 THR . 17900 1 53 53 GLU . 17900 1 54 54 GLN . 17900 1 55 55 ARG . 17900 1 56 56 GLN . 17900 1 57 57 ALA . 17900 1 58 58 GLY . 17900 1 59 59 ILE . 17900 1 60 60 VAL . 17900 1 61 61 ALA . 17900 1 62 62 ILE . 17900 1 63 63 ARG . 17900 1 64 64 ALA . 17900 1 65 65 TYR . 17900 1 66 66 SER . 17900 1 67 67 PHE . 17900 1 68 68 ILE . 17900 1 69 69 ARG . 17900 1 70 70 PHE . 17900 1 71 71 HIS . 17900 1 72 72 TRP . 17900 1 73 73 LEU . 17900 1 74 74 ASP . 17900 1 75 75 ASP . 17900 1 76 76 GLU . 17900 1 77 77 ASN . 17900 1 78 78 GLU . 17900 1 79 79 ARG . 17900 1 80 80 ASP . 17900 1 81 81 TYR . 17900 1 82 82 PHE . 17900 1 83 83 GLU . 17900 1 84 84 ILE . 17900 1 85 85 LYS . 17900 1 86 86 MET . 17900 1 87 87 SER . 17900 1 88 88 TYR . 17900 1 89 89 ASN . 17900 1 90 90 GLU . 17900 1 91 91 LEU . 17900 1 92 92 THR . 17900 1 93 93 GLY . 17900 1 94 94 ASP . 17900 1 95 95 TYR . 17900 1 96 96 VAL . 17900 1 97 97 LEU . 17900 1 98 98 GLU . 17900 1 99 99 ILE . 17900 1 100 100 THR . 17900 1 101 101 ASP . 17900 1 102 102 PHE . 17900 1 103 103 SER . 17900 1 104 104 GLU . 17900 1 105 105 ALA . 17900 1 106 106 ASP . 17900 1 107 107 GLU . 17900 1 108 108 ALA . 17900 1 109 109 ASP . 17900 1 110 110 ASP . 17900 1 111 111 LEU . 17900 1 112 112 LYS . 17900 1 113 113 GLU . 17900 1 114 114 LEU . 17900 1 115 115 TRP . 17900 1 116 116 ASP . 17900 1 117 117 SER . 17900 1 118 118 GLN . 17900 1 119 119 VAL . 17900 1 120 120 SER . 17900 1 121 121 LYS . 17900 1 122 122 LEU . 17900 1 123 123 ARG . 17900 1 124 124 ARG . 17900 1 125 125 THR . 17900 1 126 126 CYS . 17900 1 127 127 GLY . 17900 1 128 128 PHE . 17900 1 129 129 LEU . 17900 1 130 130 GLU . 17900 1 131 131 HIS . 17900 1 132 132 HIS . 17900 1 133 133 HIS . 17900 1 134 134 HIS . 17900 1 135 135 HIS . 17900 1 136 136 HIS . 17900 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 . MET 1 1 17900 1 . LYS 2 2 17900 1 . LYS 3 3 17900 1 . GLU 4 4 17900 1 . LYS 5 5 17900 1 . ILE 6 6 17900 1 . HIS 7 7 17900 1 . LEU 8 8 17900 1 . GLU 9 9 17900 1 . TYR 10 10 17900 1 . LEU 11 11 17900 1 . LEU 12 12 17900 1 . ASN 13 13 17900 1 . ALA 14 14 17900 1 . THR 15 15 17900 1 . SER 16 16 17900 1 . LYS 17 17 17900 1 . ASN 18 18 17900 1 . ILE 19 19 17900 1 . LEU 20 20 17900 1 . TRP 21 21 17900 1 . SER 22 22 17900 1 . ALA 23 23 17900 1 . ILE 24 24 17900 1 . SER 25 25 17900 1 . THR 26 26 17900 1 . PRO 27 27 17900 1 . THR 28 28 17900 1 . GLY 29 29 17900 1 . LEU 30 30 17900 1 . GLU 31 31 17900 1 . ASP 32 32 17900 1 . TRP 33 33 17900 1 . PHE 34 34 17900 1 . ALA 35 35 17900 1 . ASP 36 36 17900 1 . LYS 37 37 17900 1 . VAL 38 38 17900 1 . VAL 39 39 17900 1 . SER 40 40 17900 1 . ASP 41 41 17900 1 . ASP 42 42 17900 1 . LYS 43 43 17900 1 . THR 44 44 17900 1 . VAL 45 45 17900 1 . THR 46 46 17900 1 . PHE 47 47 17900 1 . CYS 48 48 17900 1 . TRP 49 49 17900 1 . GLY 50 50 17900 1 . LYS 51 51 17900 1 . THR 52 52 17900 1 . GLU 53 53 17900 1 . GLN 54 54 17900 1 . ARG 55 55 17900 1 . GLN 56 56 17900 1 . ALA 57 57 17900 1 . GLY 58 58 17900 1 . ILE 59 59 17900 1 . VAL 60 60 17900 1 . ALA 61 61 17900 1 . ILE 62 62 17900 1 . ARG 63 63 17900 1 . ALA 64 64 17900 1 . TYR 65 65 17900 1 . SER 66 66 17900 1 . PHE 67 67 17900 1 . ILE 68 68 17900 1 . ARG 69 69 17900 1 . PHE 70 70 17900 1 . HIS 71 71 17900 1 . TRP 72 72 17900 1 . LEU 73 73 17900 1 . ASP 74 74 17900 1 . ASP 75 75 17900 1 . GLU 76 76 17900 1 . ASN 77 77 17900 1 . GLU 78 78 17900 1 . ARG 79 79 17900 1 . ASP 80 80 17900 1 . TYR 81 81 17900 1 . PHE 82 82 17900 1 . GLU 83 83 17900 1 . ILE 84 84 17900 1 . LYS 85 85 17900 1 . MET 86 86 17900 1 . SER 87 87 17900 1 . TYR 88 88 17900 1 . ASN 89 89 17900 1 . GLU 90 90 17900 1 . LEU 91 91 17900 1 . THR 92 92 17900 1 . GLY 93 93 17900 1 . ASP 94 94 17900 1 . TYR 95 95 17900 1 . VAL 96 96 17900 1 . LEU 97 97 17900 1 . GLU 98 98 17900 1 . ILE 99 99 17900 1 . THR 100 100 17900 1 . ASP 101 101 17900 1 . PHE 102 102 17900 1 . SER 103 103 17900 1 . GLU 104 104 17900 1 . ALA 105 105 17900 1 . ASP 106 106 17900 1 . GLU 107 107 17900 1 . ALA 108 108 17900 1 . ASP 109 109 17900 1 . ASP 110 110 17900 1 . LEU 111 111 17900 1 . LYS 112 112 17900 1 . GLU 113 113 17900 1 . LEU 114 114 17900 1 . TRP 115 115 17900 1 . ASP 116 116 17900 1 . SER 117 117 17900 1 . GLN 118 118 17900 1 . VAL 119 119 17900 1 . SER 120 120 17900 1 . LYS 121 121 17900 1 . LEU 122 122 17900 1 . ARG 123 123 17900 1 . ARG 124 124 17900 1 . THR 125 125 17900 1 . CYS 126 126 17900 1 . GLY 127 127 17900 1 . PHE 128 128 17900 1 . LEU 129 129 17900 1 . GLU 130 130 17900 1 . HIS 131 131 17900 1 . HIS 132 132 17900 1 . HIS 133 133 17900 1 . HIS 134 134 17900 1 . HIS 135 135 17900 1 . HIS 136 136 17900 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 17900 _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 $BfR322 . 817 organism . 'Bacteroides fragilis' 'Bacteroides fragilis' . . Bacteria . Bacteroides fragilis . . . . . . . . . . . . . . . . . . . . . 17900 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 17900 _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 $BfR322 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21_NESG . . . . . . 17900 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 17900 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.65 mM [U-100% 13C; U-100% 15N] BfR322, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BfR322 '[U-100% 13C; U-100% 15N]' . . 1 $BfR322 . . 0.65 . . mM . . . . 17900 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17900 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17900 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17900 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17900 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17900 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17900 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 17900 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.86 mM [U-5% 13C; U-100% 15N] BfR322, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BfR322 '[U-5% 13C; U-100% 15N]' . . 1 $BfR322 . . 0.86 . . mM . . . . 17900 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17900 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17900 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17900 2 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17900 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17900 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17900 2 stop_ save_ save_NC5aniso _Sample.Sf_category sample _Sample.Sf_framecode NC5aniso _Sample.Entry_ID 17900 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.29 mM [U-5% 13C; U-100% 15N] BfR322, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BfR322 '[U-10% 13C; U-100% 15N]' . . 1 $BfR322 . . 0.86 . . mM . . . . 17900 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17900 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17900 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17900 3 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17900 3 6 phage 'natural abundance' . . . . . . 12.5 . . mg/ml . . . . 17900 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17900 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17900 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17900 _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 pH 7.5 . pH 17900 1 pressure 1 . atm 17900 1 temperature 298 . K 17900 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17900 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17900 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 17900 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17900 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17900 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 17900 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17900 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17900 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 17900 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17900 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17900 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17900 4 'data analysis' 17900 4 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 17900 _Software.ID 5 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 17900 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17900 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17900 _Software.ID 6 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller et al.' . . 17900 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17900 6 'data analysis' 17900 6 'peak picking' 17900 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17900 _Software.ID 7 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17900 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17900 7 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17900 _Software.ID 8 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17900 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17900 8 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17900 _Software.ID 9 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17900 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17900 9 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 17900 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17900 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17900 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 17900 1 2 spectrometer_2 Varian INOVA . 600 . . . 17900 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 17900 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 5 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' yes . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17900 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 9 HCCH-COSY no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $NC5aniso anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17900 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17900 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . 17900 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17900 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 17900 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17900 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17900 1 2 '2D 1H-13C HSQC' . . . 17900 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17900 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 1 1 MET HE1 H 1 2.145 0.020 . 1 . . . A 1 MET HE1 . 17900 1 2 . 1 1 1 1 MET HE2 H 1 2.145 0.020 . 1 . . . A 1 MET HE2 . 17900 1 3 . 1 1 1 1 MET HE3 H 1 2.145 0.020 . 1 . . . A 1 MET HE3 . 17900 1 4 . 1 1 1 1 MET CE C 13 16.787 0.400 . 1 . . . A 1 MET CE . 17900 1 5 . 1 1 2 2 LYS HA H 1 4.376 0.020 . 1 . . . A 2 LYS HA . 17900 1 6 . 1 1 2 2 LYS HB2 H 1 1.851 0.020 . 2 . . . A 2 LYS HB2 . 17900 1 7 . 1 1 2 2 LYS HB3 H 1 1.851 0.020 . 2 . . . A 2 LYS HB3 . 17900 1 8 . 1 1 2 2 LYS HG2 H 1 1.460 0.020 . 2 . . . A 2 LYS HG2 . 17900 1 9 . 1 1 2 2 LYS HG3 H 1 1.460 0.020 . 2 . . . A 2 LYS HG3 . 17900 1 10 . 1 1 2 2 LYS HD2 H 1 1.733 0.020 . 2 . . . A 2 LYS HD2 . 17900 1 11 . 1 1 2 2 LYS HD3 H 1 1.733 0.020 . 2 . . . A 2 LYS HD3 . 17900 1 12 . 1 1 2 2 LYS HE2 H 1 3.046 0.020 . 2 . . . A 2 LYS HE2 . 17900 1 13 . 1 1 2 2 LYS HE3 H 1 3.046 0.020 . 2 . . . A 2 LYS HE3 . 17900 1 14 . 1 1 2 2 LYS C C 13 175.908 0.400 . 1 . . . A 2 LYS C . 17900 1 15 . 1 1 2 2 LYS CA C 13 56.581 0.400 . 1 . . . A 2 LYS CA . 17900 1 16 . 1 1 2 2 LYS CB C 13 32.958 0.400 . 1 . . . A 2 LYS CB . 17900 1 17 . 1 1 2 2 LYS CG C 13 24.675 0.400 . 1 . . . A 2 LYS CG . 17900 1 18 . 1 1 2 2 LYS CD C 13 29.015 0.400 . 1 . . . A 2 LYS CD . 17900 1 19 . 1 1 2 2 LYS CE C 13 42.145 0.400 . 1 . . . A 2 LYS CE . 17900 1 20 . 1 1 3 3 LYS H H 1 8.613 0.020 . 1 . . . A 3 LYS H . 17900 1 21 . 1 1 3 3 LYS HA H 1 4.383 0.020 . 1 . . . A 3 LYS HA . 17900 1 22 . 1 1 3 3 LYS HB2 H 1 1.922 0.020 . 2 . . . A 3 LYS HB2 . 17900 1 23 . 1 1 3 3 LYS HB3 H 1 1.727 0.020 . 2 . . . A 3 LYS HB3 . 17900 1 24 . 1 1 3 3 LYS HG2 H 1 1.633 0.020 . 2 . . . A 3 LYS HG2 . 17900 1 25 . 1 1 3 3 LYS HG3 H 1 1.208 0.020 . 2 . . . A 3 LYS HG3 . 17900 1 26 . 1 1 3 3 LYS HD2 H 1 1.935 0.020 . 2 . . . A 3 LYS HD2 . 17900 1 27 . 1 1 3 3 LYS HD3 H 1 1.757 0.020 . 2 . . . A 3 LYS HD3 . 17900 1 28 . 1 1 3 3 LYS HE2 H 1 2.973 0.020 . 2 . . . A 3 LYS HE2 . 17900 1 29 . 1 1 3 3 LYS HE3 H 1 2.973 0.020 . 2 . . . A 3 LYS HE3 . 17900 1 30 . 1 1 3 3 LYS C C 13 175.908 0.400 . 1 . . . A 3 LYS C . 17900 1 31 . 1 1 3 3 LYS CA C 13 56.290 0.400 . 1 . . . A 3 LYS CA . 17900 1 32 . 1 1 3 3 LYS CB C 13 34.978 0.400 . 1 . . . A 3 LYS CB . 17900 1 33 . 1 1 3 3 LYS CG C 13 26.388 0.400 . 1 . . . A 3 LYS CG . 17900 1 34 . 1 1 3 3 LYS CD C 13 29.499 0.400 . 1 . . . A 3 LYS CD . 17900 1 35 . 1 1 3 3 LYS CE C 13 42.421 0.400 . 1 . . . A 3 LYS CE . 17900 1 36 . 1 1 3 3 LYS N N 15 123.165 0.400 . 1 . . . A 3 LYS N . 17900 1 37 . 1 1 4 4 GLU H H 1 8.653 0.020 . 1 . . . A 4 GLU H . 17900 1 38 . 1 1 4 4 GLU HA H 1 4.591 0.020 . 1 . . . A 4 GLU HA . 17900 1 39 . 1 1 4 4 GLU HB2 H 1 2.042 0.020 . 2 . . . A 4 GLU HB2 . 17900 1 40 . 1 1 4 4 GLU HB3 H 1 1.901 0.020 . 2 . . . A 4 GLU HB3 . 17900 1 41 . 1 1 4 4 GLU HG2 H 1 2.276 0.020 . 2 . . . A 4 GLU HG2 . 17900 1 42 . 1 1 4 4 GLU HG3 H 1 2.276 0.020 . 2 . . . A 4 GLU HG3 . 17900 1 43 . 1 1 4 4 GLU C C 13 174.912 0.400 . 1 . . . A 4 GLU C . 17900 1 44 . 1 1 4 4 GLU CA C 13 54.675 0.400 . 1 . . . A 4 GLU CA . 17900 1 45 . 1 1 4 4 GLU CB C 13 31.764 0.400 . 1 . . . A 4 GLU CB . 17900 1 46 . 1 1 4 4 GLU CG C 13 35.678 0.400 . 1 . . . A 4 GLU CG . 17900 1 47 . 1 1 4 4 GLU N N 15 121.186 0.400 . 1 . . . A 4 GLU N . 17900 1 48 . 1 1 5 5 LYS H H 1 8.443 0.020 . 1 . . . A 5 LYS H . 17900 1 49 . 1 1 5 5 LYS HA H 1 3.785 0.020 . 1 . . . A 5 LYS HA . 17900 1 50 . 1 1 5 5 LYS HB2 H 1 1.528 0.020 . 2 . . . A 5 LYS HB2 . 17900 1 51 . 1 1 5 5 LYS HB3 H 1 1.390 0.020 . 2 . . . A 5 LYS HB3 . 17900 1 52 . 1 1 5 5 LYS HG2 H 1 0.769 0.020 . 2 . . . A 5 LYS HG2 . 17900 1 53 . 1 1 5 5 LYS HG3 H 1 0.520 0.020 . 2 . . . A 5 LYS HG3 . 17900 1 54 . 1 1 5 5 LYS HD2 H 1 1.564 0.020 . 2 . . . A 5 LYS HD2 . 17900 1 55 . 1 1 5 5 LYS HD3 H 1 1.564 0.020 . 2 . . . A 5 LYS HD3 . 17900 1 56 . 1 1 5 5 LYS HE2 H 1 2.876 0.020 . 2 . . . A 5 LYS HE2 . 17900 1 57 . 1 1 5 5 LYS HE3 H 1 2.876 0.020 . 2 . . . A 5 LYS HE3 . 17900 1 58 . 1 1 5 5 LYS C C 13 176.377 0.400 . 1 . . . A 5 LYS C . 17900 1 59 . 1 1 5 5 LYS CA C 13 56.229 0.400 . 1 . . . A 5 LYS CA . 17900 1 60 . 1 1 5 5 LYS CB C 13 32.991 0.400 . 1 . . . A 5 LYS CB . 17900 1 61 . 1 1 5 5 LYS CG C 13 24.260 0.400 . 1 . . . A 5 LYS CG . 17900 1 62 . 1 1 5 5 LYS CD C 13 29.457 0.400 . 1 . . . A 5 LYS CD . 17900 1 63 . 1 1 5 5 LYS CE C 13 41.895 0.400 . 1 . . . A 5 LYS CE . 17900 1 64 . 1 1 5 5 LYS N N 15 124.266 0.400 . 1 . . . A 5 LYS N . 17900 1 65 . 1 1 6 6 ILE H H 1 9.075 0.020 . 1 . . . A 6 ILE H . 17900 1 66 . 1 1 6 6 ILE HA H 1 4.365 0.020 . 1 . . . A 6 ILE HA . 17900 1 67 . 1 1 6 6 ILE HB H 1 1.575 0.020 . 1 . . . A 6 ILE HB . 17900 1 68 . 1 1 6 6 ILE HG12 H 1 0.936 0.020 . 1 . . . A 6 ILE HG12 . 17900 1 69 . 1 1 6 6 ILE HG13 H 1 1.296 0.020 . 1 . . . A 6 ILE HG13 . 17900 1 70 . 1 1 6 6 ILE HG21 H 1 0.776 0.020 . 1 . . . A 6 ILE HG21 . 17900 1 71 . 1 1 6 6 ILE HG22 H 1 0.776 0.020 . 1 . . . A 6 ILE HG22 . 17900 1 72 . 1 1 6 6 ILE HG23 H 1 0.776 0.020 . 1 . . . A 6 ILE HG23 . 17900 1 73 . 1 1 6 6 ILE HD11 H 1 0.806 0.020 . 1 . . . A 6 ILE HD11 . 17900 1 74 . 1 1 6 6 ILE HD12 H 1 0.806 0.020 . 1 . . . A 6 ILE HD12 . 17900 1 75 . 1 1 6 6 ILE HD13 H 1 0.806 0.020 . 1 . . . A 6 ILE HD13 . 17900 1 76 . 1 1 6 6 ILE C C 13 173.154 0.400 . 1 . . . A 6 ILE C . 17900 1 77 . 1 1 6 6 ILE CA C 13 59.295 0.400 . 1 . . . A 6 ILE CA . 17900 1 78 . 1 1 6 6 ILE CB C 13 40.381 0.400 . 1 . . . A 6 ILE CB . 17900 1 79 . 1 1 6 6 ILE CG1 C 13 26.881 0.400 . 1 . . . A 6 ILE CG1 . 17900 1 80 . 1 1 6 6 ILE CG2 C 13 17.220 0.400 . 1 . . . A 6 ILE CG2 . 17900 1 81 . 1 1 6 6 ILE CD1 C 13 13.827 0.400 . 1 . . . A 6 ILE CD1 . 17900 1 82 . 1 1 6 6 ILE N N 15 126.795 0.400 . 1 . . . A 6 ILE N . 17900 1 83 . 1 1 7 7 HIS H H 1 8.253 0.020 . 1 . . . A 7 HIS H . 17900 1 84 . 1 1 7 7 HIS HA H 1 5.507 0.020 . 1 . . . A 7 HIS HA . 17900 1 85 . 1 1 7 7 HIS HB2 H 1 3.024 0.020 . 2 . . . A 7 HIS HB2 . 17900 1 86 . 1 1 7 7 HIS HB3 H 1 2.820 0.020 . 2 . . . A 7 HIS HB3 . 17900 1 87 . 1 1 7 7 HIS HD2 H 1 7.024 0.020 . 1 . . . A 7 HIS HD2 . 17900 1 88 . 1 1 7 7 HIS C C 13 173.681 0.400 . 1 . . . A 7 HIS C . 17900 1 89 . 1 1 7 7 HIS CA C 13 54.463 0.400 . 1 . . . A 7 HIS CA . 17900 1 90 . 1 1 7 7 HIS CB C 13 31.717 0.400 . 1 . . . A 7 HIS CB . 17900 1 91 . 1 1 7 7 HIS CD2 C 13 120.052 0.400 . 1 . . . A 7 HIS CD2 . 17900 1 92 . 1 1 7 7 HIS N N 15 122.645 0.400 . 1 . . . A 7 HIS N . 17900 1 93 . 1 1 8 8 LEU H H 1 8.853 0.020 . 1 . . . A 8 LEU H . 17900 1 94 . 1 1 8 8 LEU HA H 1 4.517 0.020 . 1 . . . A 8 LEU HA . 17900 1 95 . 1 1 8 8 LEU HB2 H 1 1.461 0.020 . 1 . . . A 8 LEU HB2 . 17900 1 96 . 1 1 8 8 LEU HB3 H 1 1.388 0.020 . 1 . . . A 8 LEU HB3 . 17900 1 97 . 1 1 8 8 LEU HG H 1 0.896 0.020 . 1 . . . A 8 LEU HG . 17900 1 98 . 1 1 8 8 LEU HD11 H 1 0.875 0.020 . 2 . . . A 8 LEU HD11 . 17900 1 99 . 1 1 8 8 LEU HD12 H 1 0.875 0.020 . 2 . . . A 8 LEU HD12 . 17900 1 100 . 1 1 8 8 LEU HD13 H 1 0.875 0.020 . 2 . . . A 8 LEU HD13 . 17900 1 101 . 1 1 8 8 LEU HD21 H 1 0.875 0.020 . 2 . . . A 8 LEU HD21 . 17900 1 102 . 1 1 8 8 LEU HD22 H 1 0.875 0.020 . 2 . . . A 8 LEU HD22 . 17900 1 103 . 1 1 8 8 LEU HD23 H 1 0.875 0.020 . 2 . . . A 8 LEU HD23 . 17900 1 104 . 1 1 8 8 LEU C C 13 174.736 0.400 . 1 . . . A 8 LEU C . 17900 1 105 . 1 1 8 8 LEU CA C 13 53.120 0.400 . 1 . . . A 8 LEU CA . 17900 1 106 . 1 1 8 8 LEU CB C 13 45.723 0.400 . 1 . . . A 8 LEU CB . 17900 1 107 . 1 1 8 8 LEU CG C 13 25.437 0.400 . 1 . . . A 8 LEU CG . 17900 1 108 . 1 1 8 8 LEU CD1 C 13 23.350 0.400 . 1 . . . A 8 LEU CD1 . 17900 1 109 . 1 1 8 8 LEU N N 15 127.233 0.400 . 1 . . . A 8 LEU N . 17900 1 110 . 1 1 9 9 GLU H H 1 7.881 0.020 . 1 . . . A 9 GLU H . 17900 1 111 . 1 1 9 9 GLU HA H 1 5.220 0.020 . 1 . . . A 9 GLU HA . 17900 1 112 . 1 1 9 9 GLU HB2 H 1 1.697 0.020 . 2 . . . A 9 GLU HB2 . 17900 1 113 . 1 1 9 9 GLU HB3 H 1 1.697 0.020 . 2 . . . A 9 GLU HB3 . 17900 1 114 . 1 1 9 9 GLU HG2 H 1 1.910 0.020 . 2 . . . A 9 GLU HG2 . 17900 1 115 . 1 1 9 9 GLU HG3 H 1 1.910 0.020 . 2 . . . A 9 GLU HG3 . 17900 1 116 . 1 1 9 9 GLU C C 13 174.795 0.400 . 1 . . . A 9 GLU C . 17900 1 117 . 1 1 9 9 GLU CA C 13 54.675 0.400 . 1 . . . A 9 GLU CA . 17900 1 118 . 1 1 9 9 GLU CB C 13 33.315 0.400 . 1 . . . A 9 GLU CB . 17900 1 119 . 1 1 9 9 GLU CG C 13 36.830 0.400 . 1 . . . A 9 GLU CG . 17900 1 120 . 1 1 9 9 GLU N N 15 119.621 0.400 . 1 . . . A 9 GLU N . 17900 1 121 . 1 1 10 10 TYR H H 1 9.280 0.020 . 1 . . . A 10 TYR H . 17900 1 122 . 1 1 10 10 TYR HA H 1 4.666 0.020 . 1 . . . A 10 TYR HA . 17900 1 123 . 1 1 10 10 TYR HB2 H 1 2.832 0.020 . 2 . . . A 10 TYR HB2 . 17900 1 124 . 1 1 10 10 TYR HB3 H 1 2.638 0.020 . 2 . . . A 10 TYR HB3 . 17900 1 125 . 1 1 10 10 TYR HD1 H 1 6.934 0.020 . 1 . . . A 10 TYR HD1 . 17900 1 126 . 1 1 10 10 TYR HD2 H 1 6.934 0.020 . 1 . . . A 10 TYR HD2 . 17900 1 127 . 1 1 10 10 TYR HE1 H 1 6.718 0.020 . 1 . . . A 10 TYR HE1 . 17900 1 128 . 1 1 10 10 TYR HE2 H 1 6.718 0.020 . 1 . . . A 10 TYR HE2 . 17900 1 129 . 1 1 10 10 TYR C C 13 174.033 0.400 . 1 . . . A 10 TYR C . 17900 1 130 . 1 1 10 10 TYR CA C 13 56.681 0.400 . 1 . . . A 10 TYR CA . 17900 1 131 . 1 1 10 10 TYR CB C 13 42.437 0.400 . 1 . . . A 10 TYR CB . 17900 1 132 . 1 1 10 10 TYR CD1 C 13 133.211 0.400 . 1 . . . A 10 TYR CD1 . 17900 1 133 . 1 1 10 10 TYR CE1 C 13 117.587 0.400 . 1 . . . A 10 TYR CE1 . 17900 1 134 . 1 1 10 10 TYR N N 15 122.148 0.400 . 1 . . . A 10 TYR N . 17900 1 135 . 1 1 11 11 LEU H H 1 8.730 0.020 . 1 . . . A 11 LEU H . 17900 1 136 . 1 1 11 11 LEU HA H 1 5.153 0.020 . 1 . . . A 11 LEU HA . 17900 1 137 . 1 1 11 11 LEU HB2 H 1 1.649 0.020 . 2 . . . A 11 LEU HB2 . 17900 1 138 . 1 1 11 11 LEU HB3 H 1 1.470 0.020 . 2 . . . A 11 LEU HB3 . 17900 1 139 . 1 1 11 11 LEU HG H 1 1.607 0.020 . 1 . . . A 11 LEU HG . 17900 1 140 . 1 1 11 11 LEU HD11 H 1 0.861 0.020 . 2 . . . A 11 LEU HD11 . 17900 1 141 . 1 1 11 11 LEU HD12 H 1 0.861 0.020 . 2 . . . A 11 LEU HD12 . 17900 1 142 . 1 1 11 11 LEU HD13 H 1 0.861 0.020 . 2 . . . A 11 LEU HD13 . 17900 1 143 . 1 1 11 11 LEU HD21 H 1 0.861 0.020 . 2 . . . A 11 LEU HD21 . 17900 1 144 . 1 1 11 11 LEU HD22 H 1 0.861 0.020 . 2 . . . A 11 LEU HD22 . 17900 1 145 . 1 1 11 11 LEU HD23 H 1 0.861 0.020 . 2 . . . A 11 LEU HD23 . 17900 1 146 . 1 1 11 11 LEU C C 13 176.963 0.400 . 1 . . . A 11 LEU C . 17900 1 147 . 1 1 11 11 LEU CA C 13 54.014 0.400 . 1 . . . A 11 LEU CA . 17900 1 148 . 1 1 11 11 LEU CB C 13 42.680 0.400 . 1 . . . A 11 LEU CB . 17900 1 149 . 1 1 11 11 LEU CG C 13 27.312 0.400 . 1 . . . A 11 LEU CG . 17900 1 150 . 1 1 11 11 LEU CD1 C 13 24.408 0.400 . 1 . . . A 11 LEU CD1 . 17900 1 151 . 1 1 11 11 LEU N N 15 123.138 0.400 . 1 . . . A 11 LEU N . 17900 1 152 . 1 1 12 12 LEU H H 1 9.397 0.020 . 1 . . . A 12 LEU H . 17900 1 153 . 1 1 12 12 LEU HA H 1 4.740 0.020 . 1 . . . A 12 LEU HA . 17900 1 154 . 1 1 12 12 LEU HB2 H 1 1.630 0.020 . 2 . . . A 12 LEU HB2 . 17900 1 155 . 1 1 12 12 LEU HB3 H 1 1.551 0.020 . 2 . . . A 12 LEU HB3 . 17900 1 156 . 1 1 12 12 LEU HD11 H 1 0.855 0.020 . 2 . . . A 12 LEU HD11 . 17900 1 157 . 1 1 12 12 LEU HD12 H 1 0.855 0.020 . 2 . . . A 12 LEU HD12 . 17900 1 158 . 1 1 12 12 LEU HD13 H 1 0.855 0.020 . 2 . . . A 12 LEU HD13 . 17900 1 159 . 1 1 12 12 LEU HD21 H 1 0.855 0.020 . 2 . . . A 12 LEU HD21 . 17900 1 160 . 1 1 12 12 LEU HD22 H 1 0.855 0.020 . 2 . . . A 12 LEU HD22 . 17900 1 161 . 1 1 12 12 LEU HD23 H 1 0.855 0.020 . 2 . . . A 12 LEU HD23 . 17900 1 162 . 1 1 12 12 LEU CA C 13 54.208 0.400 . 1 . . . A 12 LEU CA . 17900 1 163 . 1 1 12 12 LEU CB C 13 44.800 0.400 . 1 . . . A 12 LEU CB . 17900 1 164 . 1 1 12 12 LEU CG C 13 27.835 0.400 . 1 . . . A 12 LEU CG . 17900 1 165 . 1 1 12 12 LEU CD1 C 13 24.273 0.400 . 1 . . . A 12 LEU CD1 . 17900 1 166 . 1 1 12 12 LEU N N 15 125.227 0.400 . 1 . . . A 12 LEU N . 17900 1 167 . 1 1 13 13 ASN H H 1 8.445 0.020 . 1 . . . A 13 ASN H . 17900 1 168 . 1 1 13 13 ASN HA H 1 5.276 0.020 . 1 . . . A 13 ASN HA . 17900 1 169 . 1 1 13 13 ASN HB2 H 1 2.787 0.020 . 2 . . . A 13 ASN HB2 . 17900 1 170 . 1 1 13 13 ASN HB3 H 1 2.638 0.020 . 2 . . . A 13 ASN HB3 . 17900 1 171 . 1 1 13 13 ASN HD21 H 1 7.705 0.020 . 2 . . . A 13 ASN HD21 . 17900 1 172 . 1 1 13 13 ASN HD22 H 1 7.013 0.020 . 2 . . . A 13 ASN HD22 . 17900 1 173 . 1 1 13 13 ASN C C 13 174.033 0.400 . 1 . . . A 13 ASN C . 17900 1 174 . 1 1 13 13 ASN CA C 13 52.646 0.400 . 1 . . . A 13 ASN CA . 17900 1 175 . 1 1 13 13 ASN CB C 13 40.007 0.400 . 1 . . . A 13 ASN CB . 17900 1 176 . 1 1 13 13 ASN N N 15 119.541 0.400 . 1 . . . A 13 ASN N . 17900 1 177 . 1 1 13 13 ASN ND2 N 15 111.814 0.400 . 1 . . . A 13 ASN ND2 . 17900 1 178 . 1 1 14 14 ALA H H 1 8.238 0.020 . 1 . . . A 14 ALA H . 17900 1 179 . 1 1 14 14 ALA HA H 1 4.618 0.020 . 1 . . . A 14 ALA HA . 17900 1 180 . 1 1 14 14 ALA HB1 H 1 1.105 0.020 . 1 . . . A 14 ALA HB1 . 17900 1 181 . 1 1 14 14 ALA HB2 H 1 1.105 0.020 . 1 . . . A 14 ALA HB2 . 17900 1 182 . 1 1 14 14 ALA HB3 H 1 1.105 0.020 . 1 . . . A 14 ALA HB3 . 17900 1 183 . 1 1 14 14 ALA C C 13 177.080 0.400 . 1 . . . A 14 ALA C . 17900 1 184 . 1 1 14 14 ALA CA C 13 51.420 0.400 . 1 . . . A 14 ALA CA . 17900 1 185 . 1 1 14 14 ALA CB C 13 20.352 0.400 . 1 . . . A 14 ALA CB . 17900 1 186 . 1 1 14 14 ALA N N 15 121.641 0.400 . 1 . . . A 14 ALA N . 17900 1 187 . 1 1 15 15 THR H H 1 8.459 0.020 . 1 . . . A 15 THR H . 17900 1 188 . 1 1 15 15 THR HA H 1 4.258 0.020 . 1 . . . A 15 THR HA . 17900 1 189 . 1 1 15 15 THR HB H 1 4.099 0.020 . 1 . . . A 15 THR HB . 17900 1 190 . 1 1 15 15 THR HG21 H 1 1.144 0.020 . 1 . . . A 15 THR HG21 . 17900 1 191 . 1 1 15 15 THR HG22 H 1 1.144 0.020 . 1 . . . A 15 THR HG22 . 17900 1 192 . 1 1 15 15 THR HG23 H 1 1.144 0.020 . 1 . . . A 15 THR HG23 . 17900 1 193 . 1 1 15 15 THR CA C 13 63.101 0.400 . 1 . . . A 15 THR CA . 17900 1 194 . 1 1 15 15 THR CB C 13 69.270 0.400 . 1 . . . A 15 THR CB . 17900 1 195 . 1 1 15 15 THR CG2 C 13 21.220 0.400 . 1 . . . A 15 THR CG2 . 17900 1 196 . 1 1 15 15 THR N N 15 112.877 0.400 . 1 . . . A 15 THR N . 17900 1 197 . 1 1 18 18 ASN HA H 1 4.666 0.020 . 1 . . . A 18 ASN HA . 17900 1 198 . 1 1 18 18 ASN HB2 H 1 2.754 0.020 . 1 . . . A 18 ASN HB2 . 17900 1 199 . 1 1 18 18 ASN HB3 H 1 2.903 0.020 . 1 . . . A 18 ASN HB3 . 17900 1 200 . 1 1 18 18 ASN C C 13 177.959 0.400 . 1 . . . A 18 ASN C . 17900 1 201 . 1 1 18 18 ASN CA C 13 56.666 0.400 . 1 . . . A 18 ASN CA . 17900 1 202 . 1 1 18 18 ASN CB C 13 38.259 0.400 . 1 . . . A 18 ASN CB . 17900 1 203 . 1 1 19 19 ILE H H 1 7.595 0.020 . 1 . . . A 19 ILE H . 17900 1 204 . 1 1 19 19 ILE HA H 1 3.838 0.020 . 1 . . . A 19 ILE HA . 17900 1 205 . 1 1 19 19 ILE HB H 1 1.839 0.020 . 1 . . . A 19 ILE HB . 17900 1 206 . 1 1 19 19 ILE HG12 H 1 1.517 0.020 . 2 . . . A 19 ILE HG12 . 17900 1 207 . 1 1 19 19 ILE HG13 H 1 1.255 0.020 . 2 . . . A 19 ILE HG13 . 17900 1 208 . 1 1 19 19 ILE HG21 H 1 0.984 0.020 . 1 . . . A 19 ILE HG21 . 17900 1 209 . 1 1 19 19 ILE HG22 H 1 0.984 0.020 . 1 . . . A 19 ILE HG22 . 17900 1 210 . 1 1 19 19 ILE HG23 H 1 0.984 0.020 . 1 . . . A 19 ILE HG23 . 17900 1 211 . 1 1 19 19 ILE HD11 H 1 0.832 0.020 . 1 . . . A 19 ILE HD11 . 17900 1 212 . 1 1 19 19 ILE HD12 H 1 0.832 0.020 . 1 . . . A 19 ILE HD12 . 17900 1 213 . 1 1 19 19 ILE HD13 H 1 0.832 0.020 . 1 . . . A 19 ILE HD13 . 17900 1 214 . 1 1 19 19 ILE C C 13 177.842 0.400 . 1 . . . A 19 ILE C . 17900 1 215 . 1 1 19 19 ILE CA C 13 63.552 0.400 . 1 . . . A 19 ILE CA . 17900 1 216 . 1 1 19 19 ILE CB C 13 37.405 0.400 . 1 . . . A 19 ILE CB . 17900 1 217 . 1 1 19 19 ILE CG1 C 13 28.870 0.400 . 1 . . . A 19 ILE CG1 . 17900 1 218 . 1 1 19 19 ILE CG2 C 13 17.292 0.400 . 1 . . . A 19 ILE CG2 . 17900 1 219 . 1 1 19 19 ILE CD1 C 13 12.352 0.400 . 1 . . . A 19 ILE CD1 . 17900 1 220 . 1 1 19 19 ILE N N 15 121.118 0.400 . 1 . . . A 19 ILE N . 17900 1 221 . 1 1 20 20 LEU H H 1 7.235 0.020 . 1 . . . A 20 LEU H . 17900 1 222 . 1 1 20 20 LEU HA H 1 4.070 0.020 . 1 . . . A 20 LEU HA . 17900 1 223 . 1 1 20 20 LEU HB2 H 1 1.495 0.020 . 1 . . . A 20 LEU HB2 . 17900 1 224 . 1 1 20 20 LEU HB3 H 1 1.017 0.020 . 1 . . . A 20 LEU HB3 . 17900 1 225 . 1 1 20 20 LEU HG H 1 1.615 0.020 . 1 . . . A 20 LEU HG . 17900 1 226 . 1 1 20 20 LEU HD11 H 1 0.531 0.020 . 1 . . . A 20 LEU HD11 . 17900 1 227 . 1 1 20 20 LEU HD12 H 1 0.531 0.020 . 1 . . . A 20 LEU HD12 . 17900 1 228 . 1 1 20 20 LEU HD13 H 1 0.531 0.020 . 1 . . . A 20 LEU HD13 . 17900 1 229 . 1 1 20 20 LEU HD21 H 1 0.496 0.020 . 1 . . . A 20 LEU HD21 . 17900 1 230 . 1 1 20 20 LEU HD22 H 1 0.496 0.020 . 1 . . . A 20 LEU HD22 . 17900 1 231 . 1 1 20 20 LEU HD23 H 1 0.496 0.020 . 1 . . . A 20 LEU HD23 . 17900 1 232 . 1 1 20 20 LEU C C 13 177.256 0.400 . 1 . . . A 20 LEU C . 17900 1 233 . 1 1 20 20 LEU CA C 13 57.433 0.400 . 1 . . . A 20 LEU CA . 17900 1 234 . 1 1 20 20 LEU CB C 13 41.245 0.400 . 1 . . . A 20 LEU CB . 17900 1 235 . 1 1 20 20 LEU CG C 13 26.803 0.400 . 1 . . . A 20 LEU CG . 17900 1 236 . 1 1 20 20 LEU CD1 C 13 26.560 0.400 . 1 . . . A 20 LEU CD1 . 17900 1 237 . 1 1 20 20 LEU CD2 C 13 22.839 0.400 . 1 . . . A 20 LEU CD2 . 17900 1 238 . 1 1 20 20 LEU N N 15 121.049 0.400 . 1 . . . A 20 LEU N . 17900 1 239 . 1 1 21 21 TRP H H 1 8.364 0.020 . 1 . . . A 21 TRP H . 17900 1 240 . 1 1 21 21 TRP HA H 1 4.831 0.020 . 1 . . . A 21 TRP HA . 17900 1 241 . 1 1 21 21 TRP HB2 H 1 3.171 0.020 . 1 . . . A 21 TRP HB2 . 17900 1 242 . 1 1 21 21 TRP HB3 H 1 3.330 0.020 . 1 . . . A 21 TRP HB3 . 17900 1 243 . 1 1 21 21 TRP HD1 H 1 6.988 0.020 . 1 . . . A 21 TRP HD1 . 17900 1 244 . 1 1 21 21 TRP HE1 H 1 11.706 0.020 . 1 . . . A 21 TRP HE1 . 17900 1 245 . 1 1 21 21 TRP HZ2 H 1 7.313 0.020 . 1 . . . A 21 TRP HZ2 . 17900 1 246 . 1 1 21 21 TRP HH2 H 1 7.138 0.020 . 1 . . . A 21 TRP HH2 . 17900 1 247 . 1 1 21 21 TRP C C 13 180.362 0.400 . 1 . . . A 21 TRP C . 17900 1 248 . 1 1 21 21 TRP CA C 13 58.687 0.400 . 1 . . . A 21 TRP CA . 17900 1 249 . 1 1 21 21 TRP CB C 13 31.286 0.400 . 1 . . . A 21 TRP CB . 17900 1 250 . 1 1 21 21 TRP CD1 C 13 125.733 0.400 . 1 . . . A 21 TRP CD1 . 17900 1 251 . 1 1 21 21 TRP CZ2 C 13 114.247 0.400 . 1 . . . A 21 TRP CZ2 . 17900 1 252 . 1 1 21 21 TRP CZ3 C 13 120.659 0.400 . 1 . . . A 21 TRP CZ3 . 17900 1 253 . 1 1 21 21 TRP CH2 C 13 124.066 0.400 . 1 . . . A 21 TRP CH2 . 17900 1 254 . 1 1 21 21 TRP N N 15 115.916 0.400 . 1 . . . A 21 TRP N . 17900 1 255 . 1 1 21 21 TRP NE1 N 15 130.378 0.400 . 1 . . . A 21 TRP NE1 . 17900 1 256 . 1 1 22 22 SER H H 1 8.386 0.020 . 1 . . . A 22 SER H . 17900 1 257 . 1 1 22 22 SER HA H 1 4.078 0.020 . 1 . . . A 22 SER HA . 17900 1 258 . 1 1 22 22 SER HB2 H 1 3.954 0.020 . 2 . . . A 22 SER HB2 . 17900 1 259 . 1 1 22 22 SER HB3 H 1 3.888 0.020 . 2 . . . A 22 SER HB3 . 17900 1 260 . 1 1 22 22 SER C C 13 176.260 0.400 . 1 . . . A 22 SER C . 17900 1 261 . 1 1 22 22 SER CA C 13 62.348 0.400 . 1 . . . A 22 SER CA . 17900 1 262 . 1 1 22 22 SER CB C 13 62.348 0.400 . 1 . . . A 22 SER CB . 17900 1 263 . 1 1 22 22 SER N N 15 116.446 0.400 . 1 . . . A 22 SER N . 17900 1 264 . 1 1 23 23 ALA H H 1 7.800 0.020 . 1 . . . A 23 ALA H . 17900 1 265 . 1 1 23 23 ALA HA H 1 4.041 0.020 . 1 . . . A 23 ALA HA . 17900 1 266 . 1 1 23 23 ALA HB1 H 1 1.382 0.020 . 1 . . . A 23 ALA HB1 . 17900 1 267 . 1 1 23 23 ALA HB2 H 1 1.382 0.020 . 1 . . . A 23 ALA HB2 . 17900 1 268 . 1 1 23 23 ALA HB3 H 1 1.382 0.020 . 1 . . . A 23 ALA HB3 . 17900 1 269 . 1 1 23 23 ALA C C 13 178.545 0.400 . 1 . . . A 23 ALA C . 17900 1 270 . 1 1 23 23 ALA CA C 13 55.016 0.400 . 1 . . . A 23 ALA CA . 17900 1 271 . 1 1 23 23 ALA CB C 13 18.569 0.400 . 1 . . . A 23 ALA CB . 17900 1 272 . 1 1 23 23 ALA N N 15 123.101 0.400 . 1 . . . A 23 ALA N . 17900 1 273 . 1 1 24 24 ILE H H 1 7.229 0.020 . 1 . . . A 24 ILE H . 17900 1 274 . 1 1 24 24 ILE HA H 1 4.848 0.020 . 1 . . . A 24 ILE HA . 17900 1 275 . 1 1 24 24 ILE HB H 1 2.287 0.020 . 1 . . . A 24 ILE HB . 17900 1 276 . 1 1 24 24 ILE HG12 H 1 1.045 0.020 . 2 . . . A 24 ILE HG12 . 17900 1 277 . 1 1 24 24 ILE HG13 H 1 1.045 0.020 . 2 . . . A 24 ILE HG13 . 17900 1 278 . 1 1 24 24 ILE HG21 H 1 0.900 0.020 . 1 . . . A 24 ILE HG21 . 17900 1 279 . 1 1 24 24 ILE HG22 H 1 0.900 0.020 . 1 . . . A 24 ILE HG22 . 17900 1 280 . 1 1 24 24 ILE HG23 H 1 0.900 0.020 . 1 . . . A 24 ILE HG23 . 17900 1 281 . 1 1 24 24 ILE HD11 H 1 0.870 0.020 . 1 . . . A 24 ILE HD11 . 17900 1 282 . 1 1 24 24 ILE HD12 H 1 0.870 0.020 . 1 . . . A 24 ILE HD12 . 17900 1 283 . 1 1 24 24 ILE HD13 H 1 0.870 0.020 . 1 . . . A 24 ILE HD13 . 17900 1 284 . 1 1 24 24 ILE C C 13 173.916 0.400 . 1 . . . A 24 ILE C . 17900 1 285 . 1 1 24 24 ILE CA C 13 61.746 0.400 . 1 . . . A 24 ILE CA . 17900 1 286 . 1 1 24 24 ILE CB C 13 38.954 0.400 . 1 . . . A 24 ILE CB . 17900 1 287 . 1 1 24 24 ILE CG1 C 13 25.476 0.400 . 1 . . . A 24 ILE CG1 . 17900 1 288 . 1 1 24 24 ILE CG2 C 13 17.144 0.400 . 1 . . . A 24 ILE CG2 . 17900 1 289 . 1 1 24 24 ILE CD1 C 13 13.716 0.400 . 1 . . . A 24 ILE CD1 . 17900 1 290 . 1 1 24 24 ILE N N 15 105.641 0.400 . 1 . . . A 24 ILE N . 17900 1 291 . 1 1 25 25 SER H H 1 6.965 0.020 . 1 . . . A 25 SER H . 17900 1 292 . 1 1 25 25 SER HA H 1 4.509 0.020 . 1 . . . A 25 SER HA . 17900 1 293 . 1 1 25 25 SER HB2 H 1 1.537 0.020 . 1 . . . A 25 SER HB2 . 17900 1 294 . 1 1 25 25 SER HB3 H 1 3.146 0.020 . 1 . . . A 25 SER HB3 . 17900 1 295 . 1 1 25 25 SER C C 13 174.267 0.400 . 1 . . . A 25 SER C . 17900 1 296 . 1 1 25 25 SER CA C 13 57.985 0.400 . 1 . . . A 25 SER CA . 17900 1 297 . 1 1 25 25 SER CB C 13 66.166 0.400 . 1 . . . A 25 SER CB . 17900 1 298 . 1 1 25 25 SER N N 15 106.608 0.400 . 1 . . . A 25 SER N . 17900 1 299 . 1 1 26 26 THR H H 1 7.134 0.020 . 1 . . . A 26 THR H . 17900 1 300 . 1 1 26 26 THR HA H 1 4.769 0.020 . 1 . . . A 26 THR HA . 17900 1 301 . 1 1 26 26 THR HB H 1 4.343 0.020 . 1 . . . A 26 THR HB . 17900 1 302 . 1 1 26 26 THR HG21 H 1 1.128 0.020 . 1 . . . A 26 THR HG21 . 17900 1 303 . 1 1 26 26 THR HG22 H 1 1.128 0.020 . 1 . . . A 26 THR HG22 . 17900 1 304 . 1 1 26 26 THR HG23 H 1 1.128 0.020 . 1 . . . A 26 THR HG23 . 17900 1 305 . 1 1 26 26 THR CA C 13 57.483 0.400 . 1 . . . A 26 THR CA . 17900 1 306 . 1 1 26 26 THR CB C 13 70.664 0.400 . 1 . . . A 26 THR CB . 17900 1 307 . 1 1 26 26 THR CG2 C 13 22.011 0.400 . 1 . . . A 26 THR CG2 . 17900 1 308 . 1 1 26 26 THR N N 15 109.824 0.400 . 1 . . . A 26 THR N . 17900 1 309 . 1 1 27 27 PRO HA H 1 3.888 0.020 . 1 . . . A 27 PRO HA . 17900 1 310 . 1 1 27 27 PRO HB2 H 1 2.017 0.020 . 2 . . . A 27 PRO HB2 . 17900 1 311 . 1 1 27 27 PRO HB3 H 1 2.017 0.020 . 2 . . . A 27 PRO HB3 . 17900 1 312 . 1 1 27 27 PRO HG2 H 1 1.707 0.020 . 1 . . . A 27 PRO HG2 . 17900 1 313 . 1 1 27 27 PRO HG3 H 1 2.267 0.020 . 1 . . . A 27 PRO HG3 . 17900 1 314 . 1 1 27 27 PRO HD2 H 1 3.937 0.020 . 2 . . . A 27 PRO HD2 . 17900 1 315 . 1 1 27 27 PRO HD3 H 1 3.789 0.020 . 2 . . . A 27 PRO HD3 . 17900 1 316 . 1 1 27 27 PRO C C 13 177.022 0.400 . 1 . . . A 27 PRO C . 17900 1 317 . 1 1 27 27 PRO CA C 13 66.295 0.400 . 1 . . . A 27 PRO CA . 17900 1 318 . 1 1 27 27 PRO CB C 13 31.939 0.400 . 1 . . . A 27 PRO CB . 17900 1 319 . 1 1 27 27 PRO CG C 13 28.193 0.400 . 1 . . . A 27 PRO CG . 17900 1 320 . 1 1 27 27 PRO CD C 13 50.369 0.400 . 1 . . . A 27 PRO CD . 17900 1 321 . 1 1 28 28 THR H H 1 7.602 0.020 . 1 . . . A 28 THR H . 17900 1 322 . 1 1 28 28 THR HA H 1 3.962 0.020 . 1 . . . A 28 THR HA . 17900 1 323 . 1 1 28 28 THR HB H 1 4.008 0.020 . 1 . . . A 28 THR HB . 17900 1 324 . 1 1 28 28 THR HG21 H 1 1.236 0.020 . 1 . . . A 28 THR HG21 . 17900 1 325 . 1 1 28 28 THR HG22 H 1 1.236 0.020 . 1 . . . A 28 THR HG22 . 17900 1 326 . 1 1 28 28 THR HG23 H 1 1.236 0.020 . 1 . . . A 28 THR HG23 . 17900 1 327 . 1 1 28 28 THR C C 13 176.904 0.400 . 1 . . . A 28 THR C . 17900 1 328 . 1 1 28 28 THR CA C 13 65.057 0.400 . 1 . . . A 28 THR CA . 17900 1 329 . 1 1 28 28 THR CB C 13 68.453 0.400 . 1 . . . A 28 THR CB . 17900 1 330 . 1 1 28 28 THR CG2 C 13 22.066 0.400 . 1 . . . A 28 THR CG2 . 17900 1 331 . 1 1 28 28 THR N N 15 107.273 0.400 . 1 . . . A 28 THR N . 17900 1 332 . 1 1 29 29 GLY H H 1 7.760 0.020 . 1 . . . A 29 GLY H . 17900 1 333 . 1 1 29 29 GLY HA2 H 1 4.153 0.020 . 1 . . . A 29 GLY HA2 . 17900 1 334 . 1 1 29 29 GLY HA3 H 1 3.896 0.020 . 1 . . . A 29 GLY HA3 . 17900 1 335 . 1 1 29 29 GLY C C 13 176.963 0.400 . 1 . . . A 29 GLY C . 17900 1 336 . 1 1 29 29 GLY CA C 13 47.057 0.400 . 1 . . . A 29 GLY CA . 17900 1 337 . 1 1 29 29 GLY N N 15 110.972 0.400 . 1 . . . A 29 GLY N . 17900 1 338 . 1 1 30 30 LEU H H 1 8.562 0.020 . 1 . . . A 30 LEU H . 17900 1 339 . 1 1 30 30 LEU HA H 1 4.207 0.020 . 1 . . . A 30 LEU HA . 17900 1 340 . 1 1 30 30 LEU HB2 H 1 1.115 0.020 . 1 . . . A 30 LEU HB2 . 17900 1 341 . 1 1 30 30 LEU HB3 H 1 1.942 0.020 . 1 . . . A 30 LEU HB3 . 17900 1 342 . 1 1 30 30 LEU HG H 1 1.295 0.020 . 1 . . . A 30 LEU HG . 17900 1 343 . 1 1 30 30 LEU HD11 H 1 0.879 0.020 . 2 . . . A 30 LEU HD11 . 17900 1 344 . 1 1 30 30 LEU HD12 H 1 0.879 0.020 . 2 . . . A 30 LEU HD12 . 17900 1 345 . 1 1 30 30 LEU HD13 H 1 0.879 0.020 . 2 . . . A 30 LEU HD13 . 17900 1 346 . 1 1 30 30 LEU HD21 H 1 0.773 0.020 . 2 . . . A 30 LEU HD21 . 17900 1 347 . 1 1 30 30 LEU HD22 H 1 0.773 0.020 . 2 . . . A 30 LEU HD22 . 17900 1 348 . 1 1 30 30 LEU HD23 H 1 0.773 0.020 . 2 . . . A 30 LEU HD23 . 17900 1 349 . 1 1 30 30 LEU C C 13 180.362 0.400 . 1 . . . A 30 LEU C . 17900 1 350 . 1 1 30 30 LEU CA C 13 57.953 0.400 . 1 . . . A 30 LEU CA . 17900 1 351 . 1 1 30 30 LEU CB C 13 43.595 0.400 . 1 . . . A 30 LEU CB . 17900 1 352 . 1 1 30 30 LEU CG C 13 26.928 0.400 . 1 . . . A 30 LEU CG . 17900 1 353 . 1 1 30 30 LEU CD1 C 13 17.655 0.400 . 1 . . . A 30 LEU CD1 . 17900 1 354 . 1 1 30 30 LEU CD2 C 13 17.282 0.400 . 1 . . . A 30 LEU CD2 . 17900 1 355 . 1 1 30 30 LEU N N 15 122.183 0.400 . 1 . . . A 30 LEU N . 17900 1 356 . 1 1 31 31 GLU H H 1 7.847 0.020 . 1 . . . A 31 GLU H . 17900 1 357 . 1 1 31 31 GLU HA H 1 4.517 0.020 . 1 . . . A 31 GLU HA . 17900 1 358 . 1 1 31 31 GLU HB2 H 1 2.207 0.020 . 2 . . . A 31 GLU HB2 . 17900 1 359 . 1 1 31 31 GLU HB3 H 1 2.012 0.020 . 2 . . . A 31 GLU HB3 . 17900 1 360 . 1 1 31 31 GLU HG2 H 1 2.584 0.020 . 2 . . . A 31 GLU HG2 . 17900 1 361 . 1 1 31 31 GLU HG3 H 1 2.017 0.020 . 2 . . . A 31 GLU HG3 . 17900 1 362 . 1 1 31 31 GLU C C 13 176.787 0.400 . 1 . . . A 31 GLU C . 17900 1 363 . 1 1 31 31 GLU CA C 13 57.383 0.400 . 1 . . . A 31 GLU CA . 17900 1 364 . 1 1 31 31 GLU CB C 13 29.500 0.400 . 1 . . . A 31 GLU CB . 17900 1 365 . 1 1 31 31 GLU CG C 13 38.159 0.400 . 1 . . . A 31 GLU CG . 17900 1 366 . 1 1 31 31 GLU N N 15 119.539 0.400 . 1 . . . A 31 GLU N . 17900 1 367 . 1 1 32 32 ASP H H 1 7.851 0.020 . 1 . . . A 32 ASP H . 17900 1 368 . 1 1 32 32 ASP HA H 1 4.931 0.020 . 1 . . . A 32 ASP HA . 17900 1 369 . 1 1 32 32 ASP HB2 H 1 3.060 0.020 . 2 . . . A 32 ASP HB2 . 17900 1 370 . 1 1 32 32 ASP HB3 H 1 3.060 0.020 . 2 . . . A 32 ASP HB3 . 17900 1 371 . 1 1 32 32 ASP C C 13 176.377 0.400 . 1 . . . A 32 ASP C . 17900 1 372 . 1 1 32 32 ASP CA C 13 55.577 0.400 . 1 . . . A 32 ASP CA . 17900 1 373 . 1 1 32 32 ASP CB C 13 41.835 0.400 . 1 . . . A 32 ASP CB . 17900 1 374 . 1 1 32 32 ASP N N 15 116.786 0.400 . 1 . . . A 32 ASP N . 17900 1 375 . 1 1 33 33 TRP H H 1 7.439 0.020 . 1 . . . A 33 TRP H . 17900 1 376 . 1 1 33 33 TRP HA H 1 4.831 0.020 . 1 . . . A 33 TRP HA . 17900 1 377 . 1 1 33 33 TRP HB2 H 1 3.044 0.020 . 2 . . . A 33 TRP HB2 . 17900 1 378 . 1 1 33 33 TRP HB3 H 1 3.044 0.020 . 2 . . . A 33 TRP HB3 . 17900 1 379 . 1 1 33 33 TRP HD1 H 1 7.616 0.020 . 1 . . . A 33 TRP HD1 . 17900 1 380 . 1 1 33 33 TRP HE1 H 1 10.514 0.020 . 1 . . . A 33 TRP HE1 . 17900 1 381 . 1 1 33 33 TRP HZ2 H 1 7.387 0.020 . 1 . . . A 33 TRP HZ2 . 17900 1 382 . 1 1 33 33 TRP HH2 H 1 7.779 0.020 . 1 . . . A 33 TRP HH2 . 17900 1 383 . 1 1 33 33 TRP C C 13 172.509 0.400 . 1 . . . A 33 TRP C . 17900 1 384 . 1 1 33 33 TRP CA C 13 57.935 0.400 . 1 . . . A 33 TRP CA . 17900 1 385 . 1 1 33 33 TRP CB C 13 29.648 0.400 . 1 . . . A 33 TRP CB . 17900 1 386 . 1 1 33 33 TRP CD1 C 13 127.921 0.400 . 1 . . . A 33 TRP CD1 . 17900 1 387 . 1 1 33 33 TRP CZ2 C 13 114.428 0.400 . 1 . . . A 33 TRP CZ2 . 17900 1 388 . 1 1 33 33 TRP CH2 C 13 122.585 0.400 . 1 . . . A 33 TRP CH2 . 17900 1 389 . 1 1 33 33 TRP N N 15 112.352 0.400 . 1 . . . A 33 TRP N . 17900 1 390 . 1 1 33 33 TRP NE1 N 15 131.955 0.400 . 1 . . . A 33 TRP NE1 . 17900 1 391 . 1 1 34 34 PHE H H 1 7.488 0.020 . 1 . . . A 34 PHE H . 17900 1 392 . 1 1 34 34 PHE HA H 1 3.689 0.020 . 1 . . . A 34 PHE HA . 17900 1 393 . 1 1 34 34 PHE HB2 H 1 2.106 0.020 . 1 . . . A 34 PHE HB2 . 17900 1 394 . 1 1 34 34 PHE HB3 H 1 0.719 0.020 . 1 . . . A 34 PHE HB3 . 17900 1 395 . 1 1 34 34 PHE HD1 H 1 6.222 0.020 . 1 . . . A 34 PHE HD1 . 17900 1 396 . 1 1 34 34 PHE HD2 H 1 6.222 0.020 . 1 . . . A 34 PHE HD2 . 17900 1 397 . 1 1 34 34 PHE HE1 H 1 6.084 0.020 . 1 . . . A 34 PHE HE1 . 17900 1 398 . 1 1 34 34 PHE HE2 H 1 6.084 0.020 . 1 . . . A 34 PHE HE2 . 17900 1 399 . 1 1 34 34 PHE C C 13 174.619 0.400 . 1 . . . A 34 PHE C . 17900 1 400 . 1 1 34 34 PHE CA C 13 60.091 0.400 . 1 . . . A 34 PHE CA . 17900 1 401 . 1 1 34 34 PHE CB C 13 41.420 0.400 . 1 . . . A 34 PHE CB . 17900 1 402 . 1 1 34 34 PHE CD2 C 13 131.362 0.400 . 1 . . . A 34 PHE CD2 . 17900 1 403 . 1 1 34 34 PHE CE2 C 13 130.209 0.400 . 1 . . . A 34 PHE CE2 . 17900 1 404 . 1 1 34 34 PHE N N 15 125.044 0.400 . 1 . . . A 34 PHE N . 17900 1 405 . 1 1 35 35 ALA H H 1 7.327 0.020 . 1 . . . A 35 ALA H . 17900 1 406 . 1 1 35 35 ALA HA H 1 4.162 0.020 . 1 . . . A 35 ALA HA . 17900 1 407 . 1 1 35 35 ALA HB1 H 1 0.572 0.020 . 1 . . . A 35 ALA HB1 . 17900 1 408 . 1 1 35 35 ALA HB2 H 1 0.572 0.020 . 1 . . . A 35 ALA HB2 . 17900 1 409 . 1 1 35 35 ALA HB3 H 1 0.572 0.020 . 1 . . . A 35 ALA HB3 . 17900 1 410 . 1 1 35 35 ALA C C 13 174.326 0.400 . 1 . . . A 35 ALA C . 17900 1 411 . 1 1 35 35 ALA CA C 13 50.455 0.400 . 1 . . . A 35 ALA CA . 17900 1 412 . 1 1 35 35 ALA CB C 13 21.617 0.400 . 1 . . . A 35 ALA CB . 17900 1 413 . 1 1 35 35 ALA N N 15 116.462 0.400 . 1 . . . A 35 ALA N . 17900 1 414 . 1 1 36 36 ASP H H 1 7.251 0.020 . 1 . . . A 36 ASP H . 17900 1 415 . 1 1 36 36 ASP HA H 1 4.558 0.020 . 1 . . . A 36 ASP HA . 17900 1 416 . 1 1 36 36 ASP HB2 H 1 2.638 0.020 . 2 . . . A 36 ASP HB2 . 17900 1 417 . 1 1 36 36 ASP HB3 H 1 2.638 0.020 . 2 . . . A 36 ASP HB3 . 17900 1 418 . 1 1 36 36 ASP C C 13 177.139 0.400 . 1 . . . A 36 ASP C . 17900 1 419 . 1 1 36 36 ASP CA C 13 56.480 0.400 . 1 . . . A 36 ASP CA . 17900 1 420 . 1 1 36 36 ASP CB C 13 41.634 0.400 . 1 . . . A 36 ASP CB . 17900 1 421 . 1 1 36 36 ASP N N 15 115.988 0.400 . 1 . . . A 36 ASP N . 17900 1 422 . 1 1 37 37 LYS H H 1 7.607 0.020 . 1 . . . A 37 LYS H . 17900 1 423 . 1 1 37 37 LYS HA H 1 4.691 0.020 . 1 . . . A 37 LYS HA . 17900 1 424 . 1 1 37 37 LYS HB2 H 1 1.433 0.020 . 1 . . . A 37 LYS HB2 . 17900 1 425 . 1 1 37 37 LYS HB3 H 1 1.524 0.020 . 1 . . . A 37 LYS HB3 . 17900 1 426 . 1 1 37 37 LYS HG2 H 1 1.340 0.020 . 2 . . . A 37 LYS HG2 . 17900 1 427 . 1 1 37 37 LYS HG3 H 1 1.153 0.020 . 2 . . . A 37 LYS HG3 . 17900 1 428 . 1 1 37 37 LYS HD2 H 1 1.617 0.020 . 2 . . . A 37 LYS HD2 . 17900 1 429 . 1 1 37 37 LYS HD3 H 1 1.617 0.020 . 2 . . . A 37 LYS HD3 . 17900 1 430 . 1 1 37 37 LYS HE2 H 1 2.876 0.020 . 2 . . . A 37 LYS HE2 . 17900 1 431 . 1 1 37 37 LYS HE3 H 1 2.810 0.020 . 2 . . . A 37 LYS HE3 . 17900 1 432 . 1 1 37 37 LYS C C 13 174.091 0.400 . 1 . . . A 37 LYS C . 17900 1 433 . 1 1 37 37 LYS CA C 13 54.875 0.400 . 1 . . . A 37 LYS CA . 17900 1 434 . 1 1 37 37 LYS CB C 13 35.634 0.400 . 1 . . . A 37 LYS CB . 17900 1 435 . 1 1 37 37 LYS CG C 13 24.841 0.400 . 1 . . . A 37 LYS CG . 17900 1 436 . 1 1 37 37 LYS CD C 13 28.594 0.400 . 1 . . . A 37 LYS CD . 17900 1 437 . 1 1 37 37 LYS CE C 13 42.059 0.400 . 1 . . . A 37 LYS CE . 17900 1 438 . 1 1 37 37 LYS N N 15 118.480 0.400 . 1 . . . A 37 LYS N . 17900 1 439 . 1 1 38 38 VAL H H 1 9.712 0.020 . 1 . . . A 38 VAL H . 17900 1 440 . 1 1 38 38 VAL HA H 1 4.633 0.020 . 1 . . . A 38 VAL HA . 17900 1 441 . 1 1 38 38 VAL HB H 1 1.918 0.020 . 1 . . . A 38 VAL HB . 17900 1 442 . 1 1 38 38 VAL HG11 H 1 0.786 0.020 . 1 . . . A 38 VAL HG11 . 17900 1 443 . 1 1 38 38 VAL HG12 H 1 0.786 0.020 . 1 . . . A 38 VAL HG12 . 17900 1 444 . 1 1 38 38 VAL HG13 H 1 0.786 0.020 . 1 . . . A 38 VAL HG13 . 17900 1 445 . 1 1 38 38 VAL HG21 H 1 0.356 0.020 . 1 . . . A 38 VAL HG21 . 17900 1 446 . 1 1 38 38 VAL HG22 H 1 0.356 0.020 . 1 . . . A 38 VAL HG22 . 17900 1 447 . 1 1 38 38 VAL HG23 H 1 0.356 0.020 . 1 . . . A 38 VAL HG23 . 17900 1 448 . 1 1 38 38 VAL C C 13 174.326 0.400 . 1 . . . A 38 VAL C . 17900 1 449 . 1 1 38 38 VAL CA C 13 60.994 0.400 . 1 . . . A 38 VAL CA . 17900 1 450 . 1 1 38 38 VAL CB C 13 33.710 0.400 . 1 . . . A 38 VAL CB . 17900 1 451 . 1 1 38 38 VAL CG1 C 13 21.978 0.400 . 1 . . . A 38 VAL CG1 . 17900 1 452 . 1 1 38 38 VAL CG2 C 13 21.649 0.400 . 1 . . . A 38 VAL CG2 . 17900 1 453 . 1 1 38 38 VAL N N 15 127.226 0.400 . 1 . . . A 38 VAL N . 17900 1 454 . 1 1 39 39 VAL H H 1 8.395 0.020 . 1 . . . A 39 VAL H . 17900 1 455 . 1 1 39 39 VAL HA H 1 4.326 0.020 . 1 . . . A 39 VAL HA . 17900 1 456 . 1 1 39 39 VAL HB H 1 1.851 0.020 . 1 . . . A 39 VAL HB . 17900 1 457 . 1 1 39 39 VAL HG11 H 1 0.766 0.020 . 1 . . . A 39 VAL HG11 . 17900 1 458 . 1 1 39 39 VAL HG12 H 1 0.766 0.020 . 1 . . . A 39 VAL HG12 . 17900 1 459 . 1 1 39 39 VAL HG13 H 1 0.766 0.020 . 1 . . . A 39 VAL HG13 . 17900 1 460 . 1 1 39 39 VAL HG21 H 1 0.843 0.020 . 1 . . . A 39 VAL HG21 . 17900 1 461 . 1 1 39 39 VAL HG22 H 1 0.843 0.020 . 1 . . . A 39 VAL HG22 . 17900 1 462 . 1 1 39 39 VAL HG23 H 1 0.843 0.020 . 1 . . . A 39 VAL HG23 . 17900 1 463 . 1 1 39 39 VAL C C 13 174.677 0.400 . 1 . . . A 39 VAL C . 17900 1 464 . 1 1 39 39 VAL CA C 13 60.342 0.400 . 1 . . . A 39 VAL CA . 17900 1 465 . 1 1 39 39 VAL CB C 13 34.782 0.400 . 1 . . . A 39 VAL CB . 17900 1 466 . 1 1 39 39 VAL CG1 C 13 19.891 0.400 . 1 . . . A 39 VAL CG1 . 17900 1 467 . 1 1 39 39 VAL CG2 C 13 21.235 0.400 . 1 . . . A 39 VAL CG2 . 17900 1 468 . 1 1 39 39 VAL N N 15 124.620 0.400 . 1 . . . A 39 VAL N . 17900 1 469 . 1 1 40 40 SER H H 1 8.818 0.020 . 1 . . . A 40 SER H . 17900 1 470 . 1 1 40 40 SER HA H 1 5.196 0.020 . 1 . . . A 40 SER HA . 17900 1 471 . 1 1 40 40 SER HB2 H 1 3.628 0.020 . 2 . . . A 40 SER HB2 . 17900 1 472 . 1 1 40 40 SER HB3 H 1 3.628 0.020 . 2 . . . A 40 SER HB3 . 17900 1 473 . 1 1 40 40 SER C C 13 173.857 0.400 . 1 . . . A 40 SER C . 17900 1 474 . 1 1 40 40 SER CA C 13 56.216 0.400 . 1 . . . A 40 SER CA . 17900 1 475 . 1 1 40 40 SER CB C 13 65.877 0.400 . 1 . . . A 40 SER CB . 17900 1 476 . 1 1 40 40 SER N N 15 119.023 0.400 . 1 . . . A 40 SER N . 17900 1 477 . 1 1 41 41 ASP H H 1 8.320 0.020 . 1 . . . A 41 ASP H . 17900 1 478 . 1 1 41 41 ASP HA H 1 4.773 0.020 . 1 . . . A 41 ASP HA . 17900 1 479 . 1 1 41 41 ASP HB2 H 1 2.878 0.020 . 2 . . . A 41 ASP HB2 . 17900 1 480 . 1 1 41 41 ASP HB3 H 1 2.596 0.020 . 2 . . . A 41 ASP HB3 . 17900 1 481 . 1 1 41 41 ASP C C 13 175.967 0.400 . 1 . . . A 41 ASP C . 17900 1 482 . 1 1 41 41 ASP CA C 13 53.170 0.400 . 1 . . . A 41 ASP CA . 17900 1 483 . 1 1 41 41 ASP CB C 13 41.087 0.400 . 1 . . . A 41 ASP CB . 17900 1 484 . 1 1 41 41 ASP N N 15 125.740 0.400 . 1 . . . A 41 ASP N . 17900 1 485 . 1 1 42 42 ASP H H 1 8.738 0.020 . 1 . . . A 42 ASP H . 17900 1 486 . 1 1 42 42 ASP HA H 1 4.139 0.020 . 1 . . . A 42 ASP HA . 17900 1 487 . 1 1 42 42 ASP HB2 H 1 2.932 0.020 . 2 . . . A 42 ASP HB2 . 17900 1 488 . 1 1 42 42 ASP HB3 H 1 2.932 0.020 . 2 . . . A 42 ASP HB3 . 17900 1 489 . 1 1 42 42 ASP C C 13 175.381 0.400 . 1 . . . A 42 ASP C . 17900 1 490 . 1 1 42 42 ASP CA C 13 57.037 0.400 . 1 . . . A 42 ASP CA . 17900 1 491 . 1 1 42 42 ASP CB C 13 39.554 0.400 . 1 . . . A 42 ASP CB . 17900 1 492 . 1 1 42 42 ASP N N 15 116.995 0.400 . 1 . . . A 42 ASP N . 17900 1 493 . 1 1 43 43 LYS H H 1 8.456 0.020 . 1 . . . A 43 LYS H . 17900 1 494 . 1 1 43 43 LYS HA H 1 4.500 0.020 . 1 . . . A 43 LYS HA . 17900 1 495 . 1 1 43 43 LYS HB2 H 1 2.038 0.020 . 2 . . . A 43 LYS HB2 . 17900 1 496 . 1 1 43 43 LYS HB3 H 1 1.893 0.020 . 2 . . . A 43 LYS HB3 . 17900 1 497 . 1 1 43 43 LYS HG2 H 1 1.463 0.020 . 2 . . . A 43 LYS HG2 . 17900 1 498 . 1 1 43 43 LYS HG3 H 1 1.400 0.020 . 2 . . . A 43 LYS HG3 . 17900 1 499 . 1 1 43 43 LYS HD2 H 1 1.662 0.020 . 2 . . . A 43 LYS HD2 . 17900 1 500 . 1 1 43 43 LYS HD3 H 1 1.662 0.020 . 2 . . . A 43 LYS HD3 . 17900 1 501 . 1 1 43 43 LYS HE2 H 1 2.980 0.020 . 2 . . . A 43 LYS HE2 . 17900 1 502 . 1 1 43 43 LYS HE3 H 1 2.980 0.020 . 2 . . . A 43 LYS HE3 . 17900 1 503 . 1 1 43 43 LYS C C 13 175.967 0.400 . 1 . . . A 43 LYS C . 17900 1 504 . 1 1 43 43 LYS CA C 13 57.433 0.400 . 1 . . . A 43 LYS CA . 17900 1 505 . 1 1 43 43 LYS CB C 13 34.079 0.400 . 1 . . . A 43 LYS CB . 17900 1 506 . 1 1 43 43 LYS CG C 13 24.685 0.400 . 1 . . . A 43 LYS CG . 17900 1 507 . 1 1 43 43 LYS CD C 13 28.667 0.400 . 1 . . . A 43 LYS CD . 17900 1 508 . 1 1 43 43 LYS CE C 13 42.207 0.400 . 1 . . . A 43 LYS CE . 17900 1 509 . 1 1 43 43 LYS N N 15 119.563 0.400 . 1 . . . A 43 LYS N . 17900 1 510 . 1 1 44 44 THR H H 1 9.060 0.020 . 1 . . . A 44 THR H . 17900 1 511 . 1 1 44 44 THR HA H 1 4.972 0.020 . 1 . . . A 44 THR HA . 17900 1 512 . 1 1 44 44 THR HB H 1 4.078 0.020 . 1 . . . A 44 THR HB . 17900 1 513 . 1 1 44 44 THR HG21 H 1 1.139 0.020 . 1 . . . A 44 THR HG21 . 17900 1 514 . 1 1 44 44 THR HG22 H 1 1.139 0.020 . 1 . . . A 44 THR HG22 . 17900 1 515 . 1 1 44 44 THR HG23 H 1 1.139 0.020 . 1 . . . A 44 THR HG23 . 17900 1 516 . 1 1 44 44 THR C C 13 173.271 0.400 . 1 . . . A 44 THR C . 17900 1 517 . 1 1 44 44 THR CA C 13 61.696 0.400 . 1 . . . A 44 THR CA . 17900 1 518 . 1 1 44 44 THR CB C 13 71.025 0.400 . 1 . . . A 44 THR CB . 17900 1 519 . 1 1 44 44 THR CG2 C 13 22.235 0.400 . 1 . . . A 44 THR CG2 . 17900 1 520 . 1 1 44 44 THR N N 15 116.464 0.400 . 1 . . . A 44 THR N . 17900 1 521 . 1 1 45 45 VAL H H 1 9.535 0.020 . 1 . . . A 45 VAL H . 17900 1 522 . 1 1 45 45 VAL HA H 1 4.542 0.020 . 1 . . . A 45 VAL HA . 17900 1 523 . 1 1 45 45 VAL HB H 1 1.611 0.020 . 1 . . . A 45 VAL HB . 17900 1 524 . 1 1 45 45 VAL HG11 H 1 0.720 0.020 . 1 . . . A 45 VAL HG11 . 17900 1 525 . 1 1 45 45 VAL HG12 H 1 0.720 0.020 . 1 . . . A 45 VAL HG12 . 17900 1 526 . 1 1 45 45 VAL HG13 H 1 0.720 0.020 . 1 . . . A 45 VAL HG13 . 17900 1 527 . 1 1 45 45 VAL HG21 H 1 0.032 0.020 . 1 . . . A 45 VAL HG21 . 17900 1 528 . 1 1 45 45 VAL HG22 H 1 0.032 0.020 . 1 . . . A 45 VAL HG22 . 17900 1 529 . 1 1 45 45 VAL HG23 H 1 0.032 0.020 . 1 . . . A 45 VAL HG23 . 17900 1 530 . 1 1 45 45 VAL C C 13 174.384 0.400 . 1 . . . A 45 VAL C . 17900 1 531 . 1 1 45 45 VAL CA C 13 60.643 0.400 . 1 . . . A 45 VAL CA . 17900 1 532 . 1 1 45 45 VAL CB C 13 33.710 0.400 . 1 . . . A 45 VAL CB . 17900 1 533 . 1 1 45 45 VAL CG1 C 13 21.394 0.400 . 1 . . . A 45 VAL CG1 . 17900 1 534 . 1 1 45 45 VAL CG2 C 13 22.186 0.400 . 1 . . . A 45 VAL CG2 . 17900 1 535 . 1 1 45 45 VAL N N 15 125.681 0.400 . 1 . . . A 45 VAL N . 17900 1 536 . 1 1 46 46 THR H H 1 9.126 0.020 . 1 . . . A 46 THR H . 17900 1 537 . 1 1 46 46 THR HA H 1 4.542 0.020 . 1 . . . A 46 THR HA . 17900 1 538 . 1 1 46 46 THR HB H 1 3.840 0.020 . 1 . . . A 46 THR HB . 17900 1 539 . 1 1 46 46 THR HG21 H 1 0.974 0.020 . 1 . . . A 46 THR HG21 . 17900 1 540 . 1 1 46 46 THR HG22 H 1 0.974 0.020 . 1 . . . A 46 THR HG22 . 17900 1 541 . 1 1 46 46 THR HG23 H 1 0.974 0.020 . 1 . . . A 46 THR HG23 . 17900 1 542 . 1 1 46 46 THR C C 13 172.626 0.400 . 1 . . . A 46 THR C . 17900 1 543 . 1 1 46 46 THR CA C 13 62.549 0.400 . 1 . . . A 46 THR CA . 17900 1 544 . 1 1 46 46 THR CB C 13 69.306 0.400 . 1 . . . A 46 THR CB . 17900 1 545 . 1 1 46 46 THR CG2 C 13 21.275 0.400 . 1 . . . A 46 THR CG2 . 17900 1 546 . 1 1 46 46 THR N N 15 122.682 0.400 . 1 . . . A 46 THR N . 17900 1 547 . 1 1 47 47 PHE H H 1 8.928 0.020 . 1 . . . A 47 PHE H . 17900 1 548 . 1 1 47 47 PHE HA H 1 4.533 0.020 . 1 . . . A 47 PHE HA . 17900 1 549 . 1 1 47 47 PHE HB2 H 1 2.787 0.020 . 1 . . . A 47 PHE HB2 . 17900 1 550 . 1 1 47 47 PHE HB3 H 1 3.068 0.020 . 1 . . . A 47 PHE HB3 . 17900 1 551 . 1 1 47 47 PHE HD1 H 1 7.214 0.020 . 1 . . . A 47 PHE HD1 . 17900 1 552 . 1 1 47 47 PHE HD2 H 1 7.214 0.020 . 1 . . . A 47 PHE HD2 . 17900 1 553 . 1 1 47 47 PHE HE1 H 1 6.640 0.020 . 1 . . . A 47 PHE HE1 . 17900 1 554 . 1 1 47 47 PHE HE2 H 1 6.640 0.020 . 1 . . . A 47 PHE HE2 . 17900 1 555 . 1 1 47 47 PHE C C 13 174.209 0.400 . 1 . . . A 47 PHE C . 17900 1 556 . 1 1 47 47 PHE CA C 13 56.932 0.400 . 1 . . . A 47 PHE CA . 17900 1 557 . 1 1 47 47 PHE CB C 13 42.086 0.400 . 1 . . . A 47 PHE CB . 17900 1 558 . 1 1 47 47 PHE CD1 C 13 131.862 0.400 . 1 . . . A 47 PHE CD1 . 17900 1 559 . 1 1 47 47 PHE CE1 C 13 130.671 0.400 . 1 . . . A 47 PHE CE1 . 17900 1 560 . 1 1 47 47 PHE CZ C 13 132.459 0.400 . 1 . . . A 47 PHE CZ . 17900 1 561 . 1 1 47 47 PHE N N 15 126.234 0.400 . 1 . . . A 47 PHE N . 17900 1 562 . 1 1 48 48 CYS H H 1 8.196 0.020 . 1 . . . A 48 CYS H . 17900 1 563 . 1 1 48 48 CYS CA C 13 56.530 0.400 . 1 . . . A 48 CYS CA . 17900 1 564 . 1 1 48 48 CYS CB C 13 30.099 0.400 . 1 . . . A 48 CYS CB . 17900 1 565 . 1 1 48 48 CYS N N 15 116.977 0.400 . 1 . . . A 48 CYS N . 17900 1 566 . 1 1 49 49 TRP HA H 1 4.335 0.020 . 1 . . . A 49 TRP HA . 17900 1 567 . 1 1 49 49 TRP HB2 H 1 2.820 0.020 . 2 . . . A 49 TRP HB2 . 17900 1 568 . 1 1 49 49 TRP HB3 H 1 2.820 0.020 . 2 . . . A 49 TRP HB3 . 17900 1 569 . 1 1 49 49 TRP HD1 H 1 7.169 0.020 . 1 . . . A 49 TRP HD1 . 17900 1 570 . 1 1 49 49 TRP HE1 H 1 9.722 0.020 . 1 . . . A 49 TRP HE1 . 17900 1 571 . 1 1 49 49 TRP HZ2 H 1 6.548 0.020 . 1 . . . A 49 TRP HZ2 . 17900 1 572 . 1 1 49 49 TRP HH2 H 1 6.805 0.020 . 1 . . . A 49 TRP HH2 . 17900 1 573 . 1 1 49 49 TRP C C 13 174.640 0.400 . 1 . . . A 49 TRP C . 17900 1 574 . 1 1 49 49 TRP CD1 C 13 126.412 0.400 . 1 . . . A 49 TRP CD1 . 17900 1 575 . 1 1 49 49 TRP CZ2 C 13 113.482 0.400 . 1 . . . A 49 TRP CZ2 . 17900 1 576 . 1 1 49 49 TRP CH2 C 13 123.372 0.400 . 1 . . . A 49 TRP CH2 . 17900 1 577 . 1 1 49 49 TRP NE1 N 15 129.423 0.400 . 1 . . . A 49 TRP NE1 . 17900 1 578 . 1 1 50 50 GLY H H 1 7.723 0.020 . 1 . . . A 50 GLY H . 17900 1 579 . 1 1 50 50 GLY HA2 H 1 4.102 0.020 . 2 . . . A 50 GLY HA2 . 17900 1 580 . 1 1 50 50 GLY HA3 H 1 3.896 0.020 . 2 . . . A 50 GLY HA3 . 17900 1 581 . 1 1 50 50 GLY CA C 13 45.547 0.400 . 1 . . . A 50 GLY CA . 17900 1 582 . 1 1 50 50 GLY N N 15 107.711 0.400 . 1 . . . A 50 GLY N . 17900 1 583 . 1 1 52 52 THR HA H 1 4.561 0.020 . 1 . . . A 52 THR HA . 17900 1 584 . 1 1 52 52 THR HB H 1 4.323 0.020 . 1 . . . A 52 THR HB . 17900 1 585 . 1 1 52 52 THR HG21 H 1 1.115 0.020 . 1 . . . A 52 THR HG21 . 17900 1 586 . 1 1 52 52 THR HG22 H 1 1.115 0.020 . 1 . . . A 52 THR HG22 . 17900 1 587 . 1 1 52 52 THR HG23 H 1 1.115 0.020 . 1 . . . A 52 THR HG23 . 17900 1 588 . 1 1 52 52 THR C C 13 174.677 0.400 . 1 . . . A 52 THR C . 17900 1 589 . 1 1 52 52 THR CA C 13 62.133 0.400 . 1 . . . A 52 THR CA . 17900 1 590 . 1 1 52 52 THR CB C 13 70.381 0.400 . 1 . . . A 52 THR CB . 17900 1 591 . 1 1 52 52 THR CG2 C 13 21.824 0.400 . 1 . . . A 52 THR CG2 . 17900 1 592 . 1 1 53 53 GLU H H 1 7.844 0.020 . 1 . . . A 53 GLU H . 17900 1 593 . 1 1 53 53 GLU HA H 1 4.616 0.020 . 1 . . . A 53 GLU HA . 17900 1 594 . 1 1 53 53 GLU HB2 H 1 2.290 0.020 . 2 . . . A 53 GLU HB2 . 17900 1 595 . 1 1 53 53 GLU HB3 H 1 2.290 0.020 . 2 . . . A 53 GLU HB3 . 17900 1 596 . 1 1 53 53 GLU HG2 H 1 2.236 0.020 . 2 . . . A 53 GLU HG2 . 17900 1 597 . 1 1 53 53 GLU HG3 H 1 2.236 0.020 . 2 . . . A 53 GLU HG3 . 17900 1 598 . 1 1 53 53 GLU C C 13 176.241 0.400 . 1 . . . A 53 GLU C . 17900 1 599 . 1 1 53 53 GLU CA C 13 56.831 0.400 . 1 . . . A 53 GLU CA . 17900 1 600 . 1 1 53 53 GLU CB C 13 30.952 0.400 . 1 . . . A 53 GLU CB . 17900 1 601 . 1 1 53 53 GLU CG C 13 35.952 0.400 . 1 . . . A 53 GLU CG . 17900 1 602 . 1 1 53 53 GLU N N 15 122.687 0.400 . 1 . . . A 53 GLU N . 17900 1 603 . 1 1 54 54 GLN H H 1 8.623 0.020 . 1 . . . A 54 GLN H . 17900 1 604 . 1 1 54 54 GLN HA H 1 5.664 0.020 . 1 . . . A 54 GLN HA . 17900 1 605 . 1 1 54 54 GLN HB2 H 1 1.990 0.020 . 2 . . . A 54 GLN HB2 . 17900 1 606 . 1 1 54 54 GLN HB3 H 1 1.990 0.020 . 2 . . . A 54 GLN HB3 . 17900 1 607 . 1 1 54 54 GLN HG2 H 1 2.254 0.020 . 2 . . . A 54 GLN HG2 . 17900 1 608 . 1 1 54 54 GLN HG3 H 1 2.254 0.020 . 2 . . . A 54 GLN HG3 . 17900 1 609 . 1 1 54 54 GLN C C 13 174.912 0.400 . 1 . . . A 54 GLN C . 17900 1 610 . 1 1 54 54 GLN CA C 13 54.596 0.400 . 1 . . . A 54 GLN CA . 17900 1 611 . 1 1 54 54 GLN CB C 13 32.137 0.400 . 1 . . . A 54 GLN CB . 17900 1 612 . 1 1 54 54 GLN CG C 13 33.450 0.400 . 1 . . . A 54 GLN CG . 17900 1 613 . 1 1 54 54 GLN N N 15 124.017 0.400 . 1 . . . A 54 GLN N . 17900 1 614 . 1 1 55 55 ARG H H 1 9.360 0.020 . 1 . . . A 55 ARG H . 17900 1 615 . 1 1 55 55 ARG HA H 1 4.715 0.020 . 1 . . . A 55 ARG HA . 17900 1 616 . 1 1 55 55 ARG HB2 H 1 1.942 0.020 . 2 . . . A 55 ARG HB2 . 17900 1 617 . 1 1 55 55 ARG HB3 H 1 1.752 0.020 . 2 . . . A 55 ARG HB3 . 17900 1 618 . 1 1 55 55 ARG HG2 H 1 1.732 0.020 . 2 . . . A 55 ARG HG2 . 17900 1 619 . 1 1 55 55 ARG HG3 H 1 1.732 0.020 . 2 . . . A 55 ARG HG3 . 17900 1 620 . 1 1 55 55 ARG HD2 H 1 3.193 0.020 . 2 . . . A 55 ARG HD2 . 17900 1 621 . 1 1 55 55 ARG HD3 H 1 3.193 0.020 . 2 . . . A 55 ARG HD3 . 17900 1 622 . 1 1 55 55 ARG C C 13 174.560 0.400 . 1 . . . A 55 ARG C . 17900 1 623 . 1 1 55 55 ARG CA C 13 56.781 0.400 . 1 . . . A 55 ARG CA . 17900 1 624 . 1 1 55 55 ARG CB C 13 35.651 0.400 . 1 . . . A 55 ARG CB . 17900 1 625 . 1 1 55 55 ARG CG C 13 27.751 0.400 . 1 . . . A 55 ARG CG . 17900 1 626 . 1 1 55 55 ARG CD C 13 43.072 0.400 . 1 . . . A 55 ARG CD . 17900 1 627 . 1 1 55 55 ARG N N 15 123.727 0.400 . 1 . . . A 55 ARG N . 17900 1 628 . 1 1 56 56 GLN H H 1 9.034 0.020 . 1 . . . A 56 GLN H . 17900 1 629 . 1 1 56 56 GLN HA H 1 5.760 0.020 . 1 . . . A 56 GLN HA . 17900 1 630 . 1 1 56 56 GLN HB2 H 1 2.174 0.020 . 1 . . . A 56 GLN HB2 . 17900 1 631 . 1 1 56 56 GLN HB3 H 1 1.944 0.020 . 1 . . . A 56 GLN HB3 . 17900 1 632 . 1 1 56 56 GLN HG2 H 1 2.473 0.020 . 2 . . . A 56 GLN HG2 . 17900 1 633 . 1 1 56 56 GLN HG3 H 1 2.473 0.020 . 2 . . . A 56 GLN HG3 . 17900 1 634 . 1 1 56 56 GLN HE21 H 1 7.233 0.020 . 2 . . . A 56 GLN HE21 . 17900 1 635 . 1 1 56 56 GLN HE22 H 1 6.806 0.020 . 2 . . . A 56 GLN HE22 . 17900 1 636 . 1 1 56 56 GLN C C 13 175.615 0.400 . 1 . . . A 56 GLN C . 17900 1 637 . 1 1 56 56 GLN CA C 13 55.062 0.400 . 1 . . . A 56 GLN CA . 17900 1 638 . 1 1 56 56 GLN CB C 13 32.630 0.400 . 1 . . . A 56 GLN CB . 17900 1 639 . 1 1 56 56 GLN CG C 13 34.300 0.400 . 1 . . . A 56 GLN CG . 17900 1 640 . 1 1 56 56 GLN N N 15 123.193 0.400 . 1 . . . A 56 GLN N . 17900 1 641 . 1 1 56 56 GLN NE2 N 15 111.299 0.400 . 1 . . . A 56 GLN NE2 . 17900 1 642 . 1 1 57 57 ALA H H 1 9.985 0.020 . 1 . . . A 57 ALA H . 17900 1 643 . 1 1 57 57 ALA HA H 1 5.609 0.020 . 1 . . . A 57 ALA HA . 17900 1 644 . 1 1 57 57 ALA HB1 H 1 1.335 0.020 . 1 . . . A 57 ALA HB1 . 17900 1 645 . 1 1 57 57 ALA HB2 H 1 1.335 0.020 . 1 . . . A 57 ALA HB2 . 17900 1 646 . 1 1 57 57 ALA HB3 H 1 1.335 0.020 . 1 . . . A 57 ALA HB3 . 17900 1 647 . 1 1 57 57 ALA C C 13 175.791 0.400 . 1 . . . A 57 ALA C . 17900 1 648 . 1 1 57 57 ALA CA C 13 50.512 0.400 . 1 . . . A 57 ALA CA . 17900 1 649 . 1 1 57 57 ALA CB C 13 23.848 0.400 . 1 . . . A 57 ALA CB . 17900 1 650 . 1 1 57 57 ALA N N 15 125.748 0.400 . 1 . . . A 57 ALA N . 17900 1 651 . 1 1 58 58 GLY H H 1 9.353 0.020 . 1 . . . A 58 GLY H . 17900 1 652 . 1 1 58 58 GLY HA2 H 1 4.997 0.020 . 2 . . . A 58 GLY HA2 . 17900 1 653 . 1 1 58 58 GLY HA3 H 1 3.830 0.020 . 2 . . . A 58 GLY HA3 . 17900 1 654 . 1 1 58 58 GLY C C 13 174.033 0.400 . 1 . . . A 58 GLY C . 17900 1 655 . 1 1 58 58 GLY CA C 13 43.769 0.400 . 1 . . . A 58 GLY CA . 17900 1 656 . 1 1 58 58 GLY N N 15 107.615 0.400 . 1 . . . A 58 GLY N . 17900 1 657 . 1 1 59 59 ILE H H 1 8.661 0.020 . 1 . . . A 59 ILE H . 17900 1 658 . 1 1 59 59 ILE HA H 1 4.012 0.020 . 1 . . . A 59 ILE HA . 17900 1 659 . 1 1 59 59 ILE HB H 1 1.653 0.020 . 1 . . . A 59 ILE HB . 17900 1 660 . 1 1 59 59 ILE HG12 H 1 1.517 0.020 . 2 . . . A 59 ILE HG12 . 17900 1 661 . 1 1 59 59 ILE HG13 H 1 0.644 0.020 . 2 . . . A 59 ILE HG13 . 17900 1 662 . 1 1 59 59 ILE HG21 H 1 0.575 0.020 . 1 . . . A 59 ILE HG21 . 17900 1 663 . 1 1 59 59 ILE HG22 H 1 0.575 0.020 . 1 . . . A 59 ILE HG22 . 17900 1 664 . 1 1 59 59 ILE HG23 H 1 0.575 0.020 . 1 . . . A 59 ILE HG23 . 17900 1 665 . 1 1 59 59 ILE HD11 H 1 0.680 0.020 . 1 . . . A 59 ILE HD11 . 17900 1 666 . 1 1 59 59 ILE HD12 H 1 0.680 0.020 . 1 . . . A 59 ILE HD12 . 17900 1 667 . 1 1 59 59 ILE HD13 H 1 0.680 0.020 . 1 . . . A 59 ILE HD13 . 17900 1 668 . 1 1 59 59 ILE C C 13 176.670 0.400 . 1 . . . A 59 ILE C . 17900 1 669 . 1 1 59 59 ILE CA C 13 62.348 0.400 . 1 . . . A 59 ILE CA . 17900 1 670 . 1 1 59 59 ILE CB C 13 38.074 0.400 . 1 . . . A 59 ILE CB . 17900 1 671 . 1 1 59 59 ILE CG1 C 13 28.499 0.400 . 1 . . . A 59 ILE CG1 . 17900 1 672 . 1 1 59 59 ILE CG2 C 13 16.997 0.400 . 1 . . . A 59 ILE CG2 . 17900 1 673 . 1 1 59 59 ILE CD1 C 13 12.862 0.400 . 1 . . . A 59 ILE CD1 . 17900 1 674 . 1 1 59 59 ILE N N 15 123.175 0.400 . 1 . . . A 59 ILE N . 17900 1 675 . 1 1 60 60 VAL H H 1 8.942 0.020 . 1 . . . A 60 VAL H . 17900 1 676 . 1 1 60 60 VAL HA H 1 4.037 0.020 . 1 . . . A 60 VAL HA . 17900 1 677 . 1 1 60 60 VAL HB H 1 1.719 0.020 . 1 . . . A 60 VAL HB . 17900 1 678 . 1 1 60 60 VAL HG11 H 1 0.812 0.020 . 2 . . . A 60 VAL HG11 . 17900 1 679 . 1 1 60 60 VAL HG12 H 1 0.812 0.020 . 2 . . . A 60 VAL HG12 . 17900 1 680 . 1 1 60 60 VAL HG13 H 1 0.812 0.020 . 2 . . . A 60 VAL HG13 . 17900 1 681 . 1 1 60 60 VAL HG21 H 1 0.812 0.020 . 2 . . . A 60 VAL HG21 . 17900 1 682 . 1 1 60 60 VAL HG22 H 1 0.812 0.020 . 2 . . . A 60 VAL HG22 . 17900 1 683 . 1 1 60 60 VAL HG23 H 1 0.812 0.020 . 2 . . . A 60 VAL HG23 . 17900 1 684 . 1 1 60 60 VAL C C 13 176.201 0.400 . 1 . . . A 60 VAL C . 17900 1 685 . 1 1 60 60 VAL CA C 13 62.950 0.400 . 1 . . . A 60 VAL CA . 17900 1 686 . 1 1 60 60 VAL CB C 13 32.944 0.400 . 1 . . . A 60 VAL CB . 17900 1 687 . 1 1 60 60 VAL CG1 C 13 20.697 0.400 . 1 . . . A 60 VAL CG1 . 17900 1 688 . 1 1 60 60 VAL N N 15 127.803 0.400 . 1 . . . A 60 VAL N . 17900 1 689 . 1 1 61 61 ALA H H 1 7.566 0.020 . 1 . . . A 61 ALA H . 17900 1 690 . 1 1 61 61 ALA HA H 1 4.509 0.020 . 1 . . . A 61 ALA HA . 17900 1 691 . 1 1 61 61 ALA HB1 H 1 1.429 0.020 . 1 . . . A 61 ALA HB1 . 17900 1 692 . 1 1 61 61 ALA HB2 H 1 1.429 0.020 . 1 . . . A 61 ALA HB2 . 17900 1 693 . 1 1 61 61 ALA HB3 H 1 1.429 0.020 . 1 . . . A 61 ALA HB3 . 17900 1 694 . 1 1 61 61 ALA C C 13 173.857 0.400 . 1 . . . A 61 ALA C . 17900 1 695 . 1 1 61 61 ALA CA C 13 52.217 0.400 . 1 . . . A 61 ALA CA . 17900 1 696 . 1 1 61 61 ALA CB C 13 22.311 0.400 . 1 . . . A 61 ALA CB . 17900 1 697 . 1 1 61 61 ALA N N 15 119.520 0.400 . 1 . . . A 61 ALA N . 17900 1 698 . 1 1 62 62 ILE H H 1 8.306 0.020 . 1 . . . A 62 ILE H . 17900 1 699 . 1 1 62 62 ILE HA H 1 4.394 0.020 . 1 . . . A 62 ILE HA . 17900 1 700 . 1 1 62 62 ILE HB H 1 1.656 0.020 . 1 . . . A 62 ILE HB . 17900 1 701 . 1 1 62 62 ILE HG12 H 1 0.988 0.020 . 2 . . . A 62 ILE HG12 . 17900 1 702 . 1 1 62 62 ILE HG13 H 1 0.988 0.020 . 2 . . . A 62 ILE HG13 . 17900 1 703 . 1 1 62 62 ILE HG21 H 1 0.872 0.020 . 1 . . . A 62 ILE HG21 . 17900 1 704 . 1 1 62 62 ILE HG22 H 1 0.872 0.020 . 1 . . . A 62 ILE HG22 . 17900 1 705 . 1 1 62 62 ILE HG23 H 1 0.872 0.020 . 1 . . . A 62 ILE HG23 . 17900 1 706 . 1 1 62 62 ILE HD11 H 1 0.915 0.020 . 1 . . . A 62 ILE HD11 . 17900 1 707 . 1 1 62 62 ILE HD12 H 1 0.915 0.020 . 1 . . . A 62 ILE HD12 . 17900 1 708 . 1 1 62 62 ILE HD13 H 1 0.915 0.020 . 1 . . . A 62 ILE HD13 . 17900 1 709 . 1 1 62 62 ILE C C 13 173.447 0.400 . 1 . . . A 62 ILE C . 17900 1 710 . 1 1 62 62 ILE CA C 13 60.215 0.400 . 1 . . . A 62 ILE CA . 17900 1 711 . 1 1 62 62 ILE CB C 13 41.790 0.400 . 1 . . . A 62 ILE CB . 17900 1 712 . 1 1 62 62 ILE CG1 C 13 28.572 0.400 . 1 . . . A 62 ILE CG1 . 17900 1 713 . 1 1 62 62 ILE CG2 C 13 15.522 0.400 . 1 . . . A 62 ILE CG2 . 17900 1 714 . 1 1 62 62 ILE CD1 C 13 14.564 0.400 . 1 . . . A 62 ILE CD1 . 17900 1 715 . 1 1 62 62 ILE N N 15 118.538 0.400 . 1 . . . A 62 ILE N . 17900 1 716 . 1 1 63 63 ARG H H 1 8.218 0.020 . 1 . . . A 63 ARG H . 17900 1 717 . 1 1 63 63 ARG CA C 13 54.875 0.400 . 1 . . . A 63 ARG CA . 17900 1 718 . 1 1 63 63 ARG CB C 13 32.155 0.400 . 1 . . . A 63 ARG CB . 17900 1 719 . 1 1 63 63 ARG N N 15 126.777 0.400 . 1 . . . A 63 ARG N . 17900 1 720 . 1 1 64 64 ALA HA H 1 3.008 0.020 . 1 . . . A 64 ALA HA . 17900 1 721 . 1 1 64 64 ALA HB1 H 1 0.880 0.020 . 1 . . . A 64 ALA HB1 . 17900 1 722 . 1 1 64 64 ALA HB2 H 1 0.880 0.020 . 1 . . . A 64 ALA HB2 . 17900 1 723 . 1 1 64 64 ALA HB3 H 1 0.880 0.020 . 1 . . . A 64 ALA HB3 . 17900 1 724 . 1 1 64 64 ALA C C 13 176.436 0.400 . 1 . . . A 64 ALA C . 17900 1 725 . 1 1 64 64 ALA CA C 13 53.355 0.400 . 1 . . . A 64 ALA CA . 17900 1 726 . 1 1 64 64 ALA CB C 13 17.846 0.400 . 1 . . . A 64 ALA CB . 17900 1 727 . 1 1 65 65 TYR H H 1 3.166 0.020 . 1 . . . A 65 TYR H . 17900 1 728 . 1 1 65 65 TYR HA H 1 3.000 0.020 . 1 . . . A 65 TYR HA . 17900 1 729 . 1 1 65 65 TYR HB2 H 1 2.941 0.020 . 2 . . . A 65 TYR HB2 . 17900 1 730 . 1 1 65 65 TYR HB3 H 1 2.941 0.020 . 2 . . . A 65 TYR HB3 . 17900 1 731 . 1 1 65 65 TYR HD1 H 1 6.589 0.020 . 1 . . . A 65 TYR HD1 . 17900 1 732 . 1 1 65 65 TYR HD2 H 1 6.589 0.020 . 1 . . . A 65 TYR HD2 . 17900 1 733 . 1 1 65 65 TYR HE1 H 1 6.758 0.020 . 1 . . . A 65 TYR HE1 . 17900 1 734 . 1 1 65 65 TYR HE2 H 1 6.758 0.020 . 1 . . . A 65 TYR HE2 . 17900 1 735 . 1 1 65 65 TYR C C 13 172.275 0.400 . 1 . . . A 65 TYR C . 17900 1 736 . 1 1 65 65 TYR CA C 13 58.858 0.400 . 1 . . . A 65 TYR CA . 17900 1 737 . 1 1 65 65 TYR CB C 13 35.236 0.400 . 1 . . . A 65 TYR CB . 17900 1 738 . 1 1 65 65 TYR CD2 C 13 132.046 0.400 . 1 . . . A 65 TYR CD2 . 17900 1 739 . 1 1 65 65 TYR CE2 C 13 117.917 0.400 . 1 . . . A 65 TYR CE2 . 17900 1 740 . 1 1 65 65 TYR N N 15 108.835 0.400 . 1 . . . A 65 TYR N . 17900 1 741 . 1 1 66 66 SER H H 1 7.397 0.020 . 1 . . . A 66 SER H . 17900 1 742 . 1 1 66 66 SER HA H 1 5.162 0.020 . 1 . . . A 66 SER HA . 17900 1 743 . 1 1 66 66 SER HB2 H 1 3.421 0.020 . 1 . . . A 66 SER HB2 . 17900 1 744 . 1 1 66 66 SER HB3 H 1 3.523 0.020 . 1 . . . A 66 SER HB3 . 17900 1 745 . 1 1 66 66 SER C C 13 172.861 0.400 . 1 . . . A 66 SER C . 17900 1 746 . 1 1 66 66 SER CA C 13 58.888 0.400 . 1 . . . A 66 SER CA . 17900 1 747 . 1 1 66 66 SER CB C 13 64.289 0.400 . 1 . . . A 66 SER CB . 17900 1 748 . 1 1 66 66 SER N N 15 110.302 0.400 . 1 . . . A 66 SER N . 17900 1 749 . 1 1 67 67 PHE H H 1 8.393 0.020 . 1 . . . A 67 PHE H . 17900 1 750 . 1 1 67 67 PHE HA H 1 6.121 0.020 . 1 . . . A 67 PHE HA . 17900 1 751 . 1 1 67 67 PHE HB2 H 1 3.205 0.020 . 1 . . . A 67 PHE HB2 . 17900 1 752 . 1 1 67 67 PHE HB3 H 1 2.960 0.020 . 1 . . . A 67 PHE HB3 . 17900 1 753 . 1 1 67 67 PHE HD1 H 1 6.963 0.020 . 1 . . . A 67 PHE HD1 . 17900 1 754 . 1 1 67 67 PHE HD2 H 1 6.963 0.020 . 1 . . . A 67 PHE HD2 . 17900 1 755 . 1 1 67 67 PHE HE1 H 1 7.003 0.020 . 1 . . . A 67 PHE HE1 . 17900 1 756 . 1 1 67 67 PHE HE2 H 1 7.003 0.020 . 1 . . . A 67 PHE HE2 . 17900 1 757 . 1 1 67 67 PHE HZ H 1 7.217 0.020 . 1 . . . A 67 PHE HZ . 17900 1 758 . 1 1 67 67 PHE C C 13 171.689 0.400 . 1 . . . A 67 PHE C . 17900 1 759 . 1 1 67 67 PHE CA C 13 57.018 0.400 . 1 . . . A 67 PHE CA . 17900 1 760 . 1 1 67 67 PHE CB C 13 42.038 0.400 . 1 . . . A 67 PHE CB . 17900 1 761 . 1 1 67 67 PHE CD2 C 13 131.871 0.400 . 1 . . . A 67 PHE CD2 . 17900 1 762 . 1 1 67 67 PHE CE2 C 13 130.886 0.400 . 1 . . . A 67 PHE CE2 . 17900 1 763 . 1 1 67 67 PHE CZ C 13 131.478 0.400 . 1 . . . A 67 PHE CZ . 17900 1 764 . 1 1 67 67 PHE N N 15 112.362 0.400 . 1 . . . A 67 PHE N . 17900 1 765 . 1 1 68 68 ILE H H 1 8.910 0.020 . 1 . . . A 68 ILE H . 17900 1 766 . 1 1 68 68 ILE HA H 1 4.674 0.020 . 1 . . . A 68 ILE HA . 17900 1 767 . 1 1 68 68 ILE HB H 1 1.495 0.020 . 1 . . . A 68 ILE HB . 17900 1 768 . 1 1 68 68 ILE HG12 H 1 0.061 0.020 . 1 . . . A 68 ILE HG12 . 17900 1 769 . 1 1 68 68 ILE HG13 H 1 1.155 0.020 . 1 . . . A 68 ILE HG13 . 17900 1 770 . 1 1 68 68 ILE HG21 H 1 1.059 0.020 . 1 . . . A 68 ILE HG21 . 17900 1 771 . 1 1 68 68 ILE HG22 H 1 1.059 0.020 . 1 . . . A 68 ILE HG22 . 17900 1 772 . 1 1 68 68 ILE HG23 H 1 1.059 0.020 . 1 . . . A 68 ILE HG23 . 17900 1 773 . 1 1 68 68 ILE HD11 H 1 0.609 0.020 . 1 . . . A 68 ILE HD11 . 17900 1 774 . 1 1 68 68 ILE HD12 H 1 0.609 0.020 . 1 . . . A 68 ILE HD12 . 17900 1 775 . 1 1 68 68 ILE HD13 H 1 0.609 0.020 . 1 . . . A 68 ILE HD13 . 17900 1 776 . 1 1 68 68 ILE C C 13 171.278 0.400 . 1 . . . A 68 ILE C . 17900 1 777 . 1 1 68 68 ILE CA C 13 60.442 0.400 . 1 . . . A 68 ILE CA . 17900 1 778 . 1 1 68 68 ILE CB C 13 43.057 0.400 . 1 . . . A 68 ILE CB . 17900 1 779 . 1 1 68 68 ILE CG1 C 13 27.909 0.400 . 1 . . . A 68 ILE CG1 . 17900 1 780 . 1 1 68 68 ILE CG2 C 13 14.195 0.400 . 1 . . . A 68 ILE CG2 . 17900 1 781 . 1 1 68 68 ILE CD1 C 13 15.488 0.400 . 1 . . . A 68 ILE CD1 . 17900 1 782 . 1 1 68 68 ILE N N 15 119.015 0.400 . 1 . . . A 68 ILE N . 17900 1 783 . 1 1 69 69 ARG H H 1 8.650 0.020 . 1 . . . A 69 ARG H . 17900 1 784 . 1 1 69 69 ARG HA H 1 5.254 0.020 . 1 . . . A 69 ARG HA . 17900 1 785 . 1 1 69 69 ARG HB2 H 1 1.702 0.020 . 2 . . . A 69 ARG HB2 . 17900 1 786 . 1 1 69 69 ARG HB3 H 1 1.702 0.020 . 2 . . . A 69 ARG HB3 . 17900 1 787 . 1 1 69 69 ARG HG2 H 1 1.429 0.020 . 2 . . . A 69 ARG HG2 . 17900 1 788 . 1 1 69 69 ARG HG3 H 1 1.429 0.020 . 2 . . . A 69 ARG HG3 . 17900 1 789 . 1 1 69 69 ARG HD2 H 1 3.188 0.020 . 2 . . . A 69 ARG HD2 . 17900 1 790 . 1 1 69 69 ARG HD3 H 1 3.188 0.020 . 2 . . . A 69 ARG HD3 . 17900 1 791 . 1 1 69 69 ARG C C 13 173.623 0.400 . 1 . . . A 69 ARG C . 17900 1 792 . 1 1 69 69 ARG CA C 13 54.460 0.400 . 1 . . . A 69 ARG CA . 17900 1 793 . 1 1 69 69 ARG CB C 13 34.832 0.400 . 1 . . . A 69 ARG CB . 17900 1 794 . 1 1 69 69 ARG CG C 13 26.690 0.400 . 1 . . . A 69 ARG CG . 17900 1 795 . 1 1 69 69 ARG CD C 13 43.023 0.400 . 1 . . . A 69 ARG CD . 17900 1 796 . 1 1 69 69 ARG N N 15 127.233 0.400 . 1 . . . A 69 ARG N . 17900 1 797 . 1 1 70 70 PHE H H 1 9.305 0.020 . 1 . . . A 70 PHE H . 17900 1 798 . 1 1 70 70 PHE HA H 1 5.469 0.020 . 1 . . . A 70 PHE HA . 17900 1 799 . 1 1 70 70 PHE HB2 H 1 2.055 0.020 . 2 . . . A 70 PHE HB2 . 17900 1 800 . 1 1 70 70 PHE HB3 H 1 2.055 0.020 . 2 . . . A 70 PHE HB3 . 17900 1 801 . 1 1 70 70 PHE HD1 H 1 6.506 0.020 . 1 . . . A 70 PHE HD1 . 17900 1 802 . 1 1 70 70 PHE HD2 H 1 6.506 0.020 . 1 . . . A 70 PHE HD2 . 17900 1 803 . 1 1 70 70 PHE HE1 H 1 6.934 0.020 . 1 . . . A 70 PHE HE1 . 17900 1 804 . 1 1 70 70 PHE HE2 H 1 6.934 0.020 . 1 . . . A 70 PHE HE2 . 17900 1 805 . 1 1 70 70 PHE C C 13 174.792 0.400 . 1 . . . A 70 PHE C . 17900 1 806 . 1 1 70 70 PHE CA C 13 55.728 0.400 . 1 . . . A 70 PHE CA . 17900 1 807 . 1 1 70 70 PHE CB C 13 44.293 0.400 . 1 . . . A 70 PHE CB . 17900 1 808 . 1 1 70 70 PHE CD1 C 13 132.495 0.400 . 1 . . . A 70 PHE CD1 . 17900 1 809 . 1 1 70 70 PHE CE1 C 13 130.116 0.400 . 1 . . . A 70 PHE CE1 . 17900 1 810 . 1 1 70 70 PHE N N 15 125.172 0.400 . 1 . . . A 70 PHE N . 17900 1 811 . 1 1 71 71 HIS H H 1 9.032 0.020 . 1 . . . A 71 HIS H . 17900 1 812 . 1 1 71 71 HIS HA H 1 5.229 0.020 . 1 . . . A 71 HIS HA . 17900 1 813 . 1 1 71 71 HIS HB2 H 1 3.168 0.020 . 2 . . . A 71 HIS HB2 . 17900 1 814 . 1 1 71 71 HIS HB3 H 1 3.168 0.020 . 2 . . . A 71 HIS HB3 . 17900 1 815 . 1 1 71 71 HIS HD2 H 1 7.061 0.020 . 1 . . . A 71 HIS HD2 . 17900 1 816 . 1 1 71 71 HIS C C 13 174.970 0.400 . 1 . . . A 71 HIS C . 17900 1 817 . 1 1 71 71 HIS CA C 13 53.922 0.400 . 1 . . . A 71 HIS CA . 17900 1 818 . 1 1 71 71 HIS CB C 13 31.403 0.400 . 1 . . . A 71 HIS CB . 17900 1 819 . 1 1 71 71 HIS CD2 C 13 121.300 0.400 . 1 . . . A 71 HIS CD2 . 17900 1 820 . 1 1 71 71 HIS N N 15 116.448 0.400 . 1 . . . A 71 HIS N . 17900 1 821 . 1 1 72 72 TRP H H 1 9.498 0.020 . 1 . . . A 72 TRP H . 17900 1 822 . 1 1 72 72 TRP HA H 1 5.171 0.020 . 1 . . . A 72 TRP HA . 17900 1 823 . 1 1 72 72 TRP HB2 H 1 3.409 0.020 . 2 . . . A 72 TRP HB2 . 17900 1 824 . 1 1 72 72 TRP HB3 H 1 3.168 0.020 . 2 . . . A 72 TRP HB3 . 17900 1 825 . 1 1 72 72 TRP HD1 H 1 7.490 0.020 . 1 . . . A 72 TRP HD1 . 17900 1 826 . 1 1 72 72 TRP HE1 H 1 10.224 0.020 . 1 . . . A 72 TRP HE1 . 17900 1 827 . 1 1 72 72 TRP HZ2 H 1 6.923 0.020 . 1 . . . A 72 TRP HZ2 . 17900 1 828 . 1 1 72 72 TRP C C 13 178.135 0.400 . 1 . . . A 72 TRP C . 17900 1 829 . 1 1 72 72 TRP CA C 13 57.534 0.400 . 1 . . . A 72 TRP CA . 17900 1 830 . 1 1 72 72 TRP CB C 13 31.438 0.400 . 1 . . . A 72 TRP CB . 17900 1 831 . 1 1 72 72 TRP CD1 C 13 128.736 0.400 . 1 . . . A 72 TRP CD1 . 17900 1 832 . 1 1 72 72 TRP CZ2 C 13 115.706 0.400 . 1 . . . A 72 TRP CZ2 . 17900 1 833 . 1 1 72 72 TRP CH2 C 13 125.860 0.400 . 1 . . . A 72 TRP CH2 . 17900 1 834 . 1 1 72 72 TRP N N 15 130.357 0.400 . 1 . . . A 72 TRP N . 17900 1 835 . 1 1 72 72 TRP NE1 N 15 131.989 0.400 . 1 . . . A 72 TRP NE1 . 17900 1 836 . 1 1 73 73 LEU H H 1 9.104 0.020 . 1 . . . A 73 LEU H . 17900 1 837 . 1 1 73 73 LEU HA H 1 4.856 0.020 . 1 . . . A 73 LEU HA . 17900 1 838 . 1 1 73 73 LEU HB2 H 1 1.711 0.020 . 1 . . . A 73 LEU HB2 . 17900 1 839 . 1 1 73 73 LEU HB3 H 1 1.866 0.020 . 1 . . . A 73 LEU HB3 . 17900 1 840 . 1 1 73 73 LEU HG H 1 0.987 0.020 . 1 . . . A 73 LEU HG . 17900 1 841 . 1 1 73 73 LEU C C 13 178.135 0.400 . 1 . . . A 73 LEU C . 17900 1 842 . 1 1 73 73 LEU CA C 13 57.534 0.400 . 1 . . . A 73 LEU CA . 17900 1 843 . 1 1 73 73 LEU CB C 13 40.486 0.400 . 1 . . . A 73 LEU CB . 17900 1 844 . 1 1 73 73 LEU CG C 13 25.650 0.400 . 1 . . . A 73 LEU CG . 17900 1 845 . 1 1 73 73 LEU N N 15 122.097 0.400 . 1 . . . A 73 LEU N . 17900 1 846 . 1 1 74 74 ASP H H 1 8.606 0.020 . 1 . . . A 74 ASP H . 17900 1 847 . 1 1 74 74 ASP HA H 1 4.566 0.020 . 1 . . . A 74 ASP HA . 17900 1 848 . 1 1 74 74 ASP HB2 H 1 2.957 0.020 . 2 . . . A 74 ASP HB2 . 17900 1 849 . 1 1 74 74 ASP HB3 H 1 2.588 0.020 . 2 . . . A 74 ASP HB3 . 17900 1 850 . 1 1 74 74 ASP C C 13 175.732 0.400 . 1 . . . A 74 ASP C . 17900 1 851 . 1 1 74 74 ASP CA C 13 53.070 0.400 . 1 . . . A 74 ASP CA . 17900 1 852 . 1 1 74 74 ASP CB C 13 40.166 0.400 . 1 . . . A 74 ASP CB . 17900 1 853 . 1 1 74 74 ASP N N 15 114.889 0.400 . 1 . . . A 74 ASP N . 17900 1 854 . 1 1 75 75 ASP H H 1 7.469 0.020 . 1 . . . A 75 ASP H . 17900 1 855 . 1 1 75 75 ASP HA H 1 4.566 0.020 . 1 . . . A 75 ASP HA . 17900 1 856 . 1 1 75 75 ASP HB2 H 1 2.866 0.020 . 2 . . . A 75 ASP HB2 . 17900 1 857 . 1 1 75 75 ASP HB3 H 1 2.704 0.020 . 2 . . . A 75 ASP HB3 . 17900 1 858 . 1 1 75 75 ASP C C 13 177.315 0.400 . 1 . . . A 75 ASP C . 17900 1 859 . 1 1 75 75 ASP CA C 13 54.324 0.400 . 1 . . . A 75 ASP CA . 17900 1 860 . 1 1 75 75 ASP CB C 13 41.388 0.400 . 1 . . . A 75 ASP CB . 17900 1 861 . 1 1 75 75 ASP N N 15 121.268 0.400 . 1 . . . A 75 ASP N . 17900 1 862 . 1 1 76 76 GLU H H 1 8.816 0.020 . 1 . . . A 76 GLU H . 17900 1 863 . 1 1 76 76 GLU HA H 1 4.177 0.020 . 1 . . . A 76 GLU HA . 17900 1 864 . 1 1 76 76 GLU HB2 H 1 2.075 0.020 . 2 . . . A 76 GLU HB2 . 17900 1 865 . 1 1 76 76 GLU HB3 H 1 2.075 0.020 . 2 . . . A 76 GLU HB3 . 17900 1 866 . 1 1 76 76 GLU HG2 H 1 2.343 0.020 . 2 . . . A 76 GLU HG2 . 17900 1 867 . 1 1 76 76 GLU HG3 H 1 2.331 0.020 . 2 . . . A 76 GLU HG3 . 17900 1 868 . 1 1 76 76 GLU C C 13 176.553 0.400 . 1 . . . A 76 GLU C . 17900 1 869 . 1 1 76 76 GLU CA C 13 58.035 0.400 . 1 . . . A 76 GLU CA . 17900 1 870 . 1 1 76 76 GLU CB C 13 29.848 0.400 . 1 . . . A 76 GLU CB . 17900 1 871 . 1 1 76 76 GLU CG C 13 36.173 0.400 . 1 . . . A 76 GLU CG . 17900 1 872 . 1 1 76 76 GLU N N 15 124.749 0.400 . 1 . . . A 76 GLU N . 17900 1 873 . 1 1 77 77 ASN H H 1 8.679 0.020 . 1 . . . A 77 ASN H . 17900 1 874 . 1 1 77 77 ASN HA H 1 4.807 0.020 . 1 . . . A 77 ASN HA . 17900 1 875 . 1 1 77 77 ASN HB2 H 1 2.845 0.020 . 2 . . . A 77 ASN HB2 . 17900 1 876 . 1 1 77 77 ASN HB3 H 1 2.845 0.020 . 2 . . . A 77 ASN HB3 . 17900 1 877 . 1 1 77 77 ASN HD21 H 1 7.943 0.020 . 2 . . . A 77 ASN HD21 . 17900 1 878 . 1 1 77 77 ASN HD22 H 1 6.990 0.020 . 2 . . . A 77 ASN HD22 . 17900 1 879 . 1 1 77 77 ASN C C 13 175.967 0.400 . 1 . . . A 77 ASN C . 17900 1 880 . 1 1 77 77 ASN CA C 13 52.117 0.400 . 1 . . . A 77 ASN CA . 17900 1 881 . 1 1 77 77 ASN CB C 13 38.023 0.400 . 1 . . . A 77 ASN CB . 17900 1 882 . 1 1 77 77 ASN N N 15 118.581 0.400 . 1 . . . A 77 ASN N . 17900 1 883 . 1 1 77 77 ASN ND2 N 15 113.376 0.400 . 1 . . . A 77 ASN ND2 . 17900 1 884 . 1 1 78 78 GLU H H 1 8.842 0.020 . 1 . . . A 78 GLU H . 17900 1 885 . 1 1 78 78 GLU HA H 1 3.846 0.020 . 1 . . . A 78 GLU HA . 17900 1 886 . 1 1 78 78 GLU HB2 H 1 2.004 0.020 . 2 . . . A 78 GLU HB2 . 17900 1 887 . 1 1 78 78 GLU HB3 H 1 2.004 0.020 . 2 . . . A 78 GLU HB3 . 17900 1 888 . 1 1 78 78 GLU HG2 H 1 2.325 0.020 . 2 . . . A 78 GLU HG2 . 17900 1 889 . 1 1 78 78 GLU HG3 H 1 2.325 0.020 . 2 . . . A 78 GLU HG3 . 17900 1 890 . 1 1 78 78 GLU C C 13 176.318 0.400 . 1 . . . A 78 GLU C . 17900 1 891 . 1 1 78 78 GLU CA C 13 58.772 0.400 . 1 . . . A 78 GLU CA . 17900 1 892 . 1 1 78 78 GLU CB C 13 29.698 0.400 . 1 . . . A 78 GLU CB . 17900 1 893 . 1 1 78 78 GLU CG C 13 35.878 0.400 . 1 . . . A 78 GLU CG . 17900 1 894 . 1 1 78 78 GLU N N 15 125.260 0.400 . 1 . . . A 78 GLU N . 17900 1 895 . 1 1 79 79 ARG H H 1 8.254 0.020 . 1 . . . A 79 ARG H . 17900 1 896 . 1 1 79 79 ARG HA H 1 4.227 0.020 . 1 . . . A 79 ARG HA . 17900 1 897 . 1 1 79 79 ARG HB2 H 1 1.951 0.020 . 2 . . . A 79 ARG HB2 . 17900 1 898 . 1 1 79 79 ARG HB3 H 1 1.752 0.020 . 2 . . . A 79 ARG HB3 . 17900 1 899 . 1 1 79 79 ARG C C 13 177.139 0.400 . 1 . . . A 79 ARG C . 17900 1 900 . 1 1 79 79 ARG CA C 13 56.029 0.400 . 1 . . . A 79 ARG CA . 17900 1 901 . 1 1 79 79 ARG CB C 13 29.992 0.400 . 1 . . . A 79 ARG CB . 17900 1 902 . 1 1 79 79 ARG CG C 13 27.416 0.400 . 1 . . . A 79 ARG CG . 17900 1 903 . 1 1 79 79 ARG CD C 13 43.090 0.400 . 1 . . . A 79 ARG CD . 17900 1 904 . 1 1 79 79 ARG N N 15 114.882 0.400 . 1 . . . A 79 ARG N . 17900 1 905 . 1 1 80 80 ASP H H 1 7.163 0.020 . 1 . . . A 80 ASP H . 17900 1 906 . 1 1 80 80 ASP HA H 1 3.750 0.020 . 1 . . . A 80 ASP HA . 17900 1 907 . 1 1 80 80 ASP HB2 H 1 2.820 0.020 . 2 . . . A 80 ASP HB2 . 17900 1 908 . 1 1 80 80 ASP HB3 H 1 2.401 0.020 . 2 . . . A 80 ASP HB3 . 17900 1 909 . 1 1 80 80 ASP C C 13 175.439 0.400 . 1 . . . A 80 ASP C . 17900 1 910 . 1 1 80 80 ASP CA C 13 54.843 0.400 . 1 . . . A 80 ASP CA . 17900 1 911 . 1 1 80 80 ASP CB C 13 39.998 0.400 . 1 . . . A 80 ASP CB . 17900 1 912 . 1 1 80 80 ASP N N 15 121.058 0.400 . 1 . . . A 80 ASP N . 17900 1 913 . 1 1 81 81 TYR H H 1 7.046 0.020 . 1 . . . A 81 TYR H . 17900 1 914 . 1 1 81 81 TYR HA H 1 5.618 0.020 . 1 . . . A 81 TYR HA . 17900 1 915 . 1 1 81 81 TYR HB2 H 1 3.217 0.020 . 2 . . . A 81 TYR HB2 . 17900 1 916 . 1 1 81 81 TYR HB3 H 1 3.217 0.020 . 2 . . . A 81 TYR HB3 . 17900 1 917 . 1 1 81 81 TYR HD1 H 1 6.972 0.020 . 1 . . . A 81 TYR HD1 . 17900 1 918 . 1 1 81 81 TYR HD2 H 1 6.972 0.020 . 1 . . . A 81 TYR HD2 . 17900 1 919 . 1 1 81 81 TYR HE1 H 1 6.769 0.020 . 1 . . . A 81 TYR HE1 . 17900 1 920 . 1 1 81 81 TYR HE2 H 1 6.769 0.020 . 1 . . . A 81 TYR HE2 . 17900 1 921 . 1 1 81 81 TYR C C 13 174.150 0.400 . 1 . . . A 81 TYR C . 17900 1 922 . 1 1 81 81 TYR CA C 13 57.076 0.400 . 1 . . . A 81 TYR CA . 17900 1 923 . 1 1 81 81 TYR CB C 13 39.227 0.400 . 1 . . . A 81 TYR CB . 17900 1 924 . 1 1 81 81 TYR CD1 C 13 133.785 0.400 . 1 . . . A 81 TYR CD1 . 17900 1 925 . 1 1 81 81 TYR CE1 C 13 117.471 0.400 . 1 . . . A 81 TYR CE1 . 17900 1 926 . 1 1 81 81 TYR N N 15 117.474 0.400 . 1 . . . A 81 TYR N . 17900 1 927 . 1 1 82 82 PHE H H 1 9.338 0.020 . 1 . . . A 82 PHE H . 17900 1 928 . 1 1 82 82 PHE HA H 1 5.906 0.020 . 1 . . . A 82 PHE HA . 17900 1 929 . 1 1 82 82 PHE HB2 H 1 3.667 0.020 . 2 . . . A 82 PHE HB2 . 17900 1 930 . 1 1 82 82 PHE HB3 H 1 3.506 0.020 . 2 . . . A 82 PHE HB3 . 17900 1 931 . 1 1 82 82 PHE HD1 H 1 6.991 0.020 . 1 . . . A 82 PHE HD1 . 17900 1 932 . 1 1 82 82 PHE HD2 H 1 6.991 0.020 . 1 . . . A 82 PHE HD2 . 17900 1 933 . 1 1 82 82 PHE C C 13 174.033 0.400 . 1 . . . A 82 PHE C . 17900 1 934 . 1 1 82 82 PHE CA C 13 56.475 0.400 . 1 . . . A 82 PHE CA . 17900 1 935 . 1 1 82 82 PHE CB C 13 41.333 0.400 . 1 . . . A 82 PHE CB . 17900 1 936 . 1 1 82 82 PHE N N 15 113.890 0.400 . 1 . . . A 82 PHE N . 17900 1 937 . 1 1 83 83 GLU H H 1 9.671 0.020 . 1 . . . A 83 GLU H . 17900 1 938 . 1 1 83 83 GLU HA H 1 5.659 0.020 . 1 . . . A 83 GLU HA . 17900 1 939 . 1 1 83 83 GLU HB2 H 1 2.207 0.020 . 2 . . . A 83 GLU HB2 . 17900 1 940 . 1 1 83 83 GLU HB3 H 1 2.207 0.020 . 2 . . . A 83 GLU HB3 . 17900 1 941 . 1 1 83 83 GLU C C 13 173.388 0.400 . 1 . . . A 83 GLU C . 17900 1 942 . 1 1 83 83 GLU CA C 13 54.374 0.400 . 1 . . . A 83 GLU CA . 17900 1 943 . 1 1 83 83 GLU CB C 13 37.371 0.400 . 1 . . . A 83 GLU CB . 17900 1 944 . 1 1 83 83 GLU N N 15 124.201 0.400 . 1 . . . A 83 GLU N . 17900 1 945 . 1 1 84 84 ILE H H 1 8.642 0.020 . 1 . . . A 84 ILE H . 17900 1 946 . 1 1 84 84 ILE HA H 1 4.682 0.020 . 1 . . . A 84 ILE HA . 17900 1 947 . 1 1 84 84 ILE HB H 1 2.108 0.020 . 1 . . . A 84 ILE HB . 17900 1 948 . 1 1 84 84 ILE HG12 H 1 1.368 0.020 . 1 . . . A 84 ILE HG12 . 17900 1 949 . 1 1 84 84 ILE HG13 H 1 2.059 0.020 . 1 . . . A 84 ILE HG13 . 17900 1 950 . 1 1 84 84 ILE HG21 H 1 1.086 0.020 . 1 . . . A 84 ILE HG21 . 17900 1 951 . 1 1 84 84 ILE HG22 H 1 1.086 0.020 . 1 . . . A 84 ILE HG22 . 17900 1 952 . 1 1 84 84 ILE HG23 H 1 1.086 0.020 . 1 . . . A 84 ILE HG23 . 17900 1 953 . 1 1 84 84 ILE HD11 H 1 1.386 0.020 . 1 . . . A 84 ILE HD11 . 17900 1 954 . 1 1 84 84 ILE HD12 H 1 1.386 0.020 . 1 . . . A 84 ILE HD12 . 17900 1 955 . 1 1 84 84 ILE HD13 H 1 1.386 0.020 . 1 . . . A 84 ILE HD13 . 17900 1 956 . 1 1 84 84 ILE C C 13 173.798 0.400 . 1 . . . A 84 ILE C . 17900 1 957 . 1 1 84 84 ILE CA C 13 61.245 0.400 . 1 . . . A 84 ILE CA . 17900 1 958 . 1 1 84 84 ILE CB C 13 39.596 0.400 . 1 . . . A 84 ILE CB . 17900 1 959 . 1 1 84 84 ILE CG1 C 13 27.245 0.400 . 1 . . . A 84 ILE CG1 . 17900 1 960 . 1 1 84 84 ILE CG2 C 13 20.315 0.400 . 1 . . . A 84 ILE CG2 . 17900 1 961 . 1 1 84 84 ILE CD1 C 13 14.216 0.400 . 1 . . . A 84 ILE CD1 . 17900 1 962 . 1 1 84 84 ILE N N 15 124.708 0.400 . 1 . . . A 84 ILE N . 17900 1 963 . 1 1 85 85 LYS H H 1 9.058 0.020 . 1 . . . A 85 LYS H . 17900 1 964 . 1 1 85 85 LYS HA H 1 5.717 0.020 . 1 . . . A 85 LYS HA . 17900 1 965 . 1 1 85 85 LYS HB2 H 1 2.108 0.020 . 2 . . . A 85 LYS HB2 . 17900 1 966 . 1 1 85 85 LYS HB3 H 1 1.797 0.020 . 2 . . . A 85 LYS HB3 . 17900 1 967 . 1 1 85 85 LYS C C 13 174.267 0.400 . 1 . . . A 85 LYS C . 17900 1 968 . 1 1 85 85 LYS CA C 13 53.922 0.400 . 1 . . . A 85 LYS CA . 17900 1 969 . 1 1 85 85 LYS CB C 13 36.972 0.400 . 1 . . . A 85 LYS CB . 17900 1 970 . 1 1 85 85 LYS CD C 13 24.694 0.400 . 1 . . . A 85 LYS CD . 17900 1 971 . 1 1 85 85 LYS N N 15 128.842 0.400 . 1 . . . A 85 LYS N . 17900 1 972 . 1 1 86 86 MET H H 1 9.844 0.020 . 1 . . . A 86 MET H . 17900 1 973 . 1 1 86 86 MET HA H 1 5.932 0.020 . 1 . . . A 86 MET HA . 17900 1 974 . 1 1 86 86 MET HB2 H 1 2.091 0.020 . 1 . . . A 86 MET HB2 . 17900 1 975 . 1 1 86 86 MET HB3 H 1 1.793 0.020 . 1 . . . A 86 MET HB3 . 17900 1 976 . 1 1 86 86 MET HE1 H 1 2.251 0.020 . 1 . . . A 86 MET HE1 . 17900 1 977 . 1 1 86 86 MET HE2 H 1 2.251 0.020 . 1 . . . A 86 MET HE2 . 17900 1 978 . 1 1 86 86 MET HE3 H 1 2.251 0.020 . 1 . . . A 86 MET HE3 . 17900 1 979 . 1 1 86 86 MET C C 13 174.970 0.400 . 1 . . . A 86 MET C . 17900 1 980 . 1 1 86 86 MET CA C 13 53.571 0.400 . 1 . . . A 86 MET CA . 17900 1 981 . 1 1 86 86 MET CB C 13 38.372 0.400 . 1 . . . A 86 MET CB . 17900 1 982 . 1 1 86 86 MET CG C 13 30.065 0.400 . 1 . . . A 86 MET CG . 17900 1 983 . 1 1 86 86 MET CE C 13 17.460 0.400 . 1 . . . A 86 MET CE . 17900 1 984 . 1 1 86 86 MET N N 15 121.581 0.400 . 1 . . . A 86 MET N . 17900 1 985 . 1 1 87 87 SER H H 1 8.870 0.020 . 1 . . . A 87 SER H . 17900 1 986 . 1 1 87 87 SER HA H 1 4.881 0.020 . 1 . . . A 87 SER HA . 17900 1 987 . 1 1 87 87 SER HB2 H 1 3.979 0.020 . 2 . . . A 87 SER HB2 . 17900 1 988 . 1 1 87 87 SER HB3 H 1 3.821 0.020 . 2 . . . A 87 SER HB3 . 17900 1 989 . 1 1 87 87 SER C C 13 172.275 0.400 . 1 . . . A 87 SER C . 17900 1 990 . 1 1 87 87 SER CA C 13 57.684 0.400 . 1 . . . A 87 SER CA . 17900 1 991 . 1 1 87 87 SER CB C 13 65.157 0.400 . 1 . . . A 87 SER CB . 17900 1 992 . 1 1 87 87 SER N N 15 115.365 0.400 . 1 . . . A 87 SER N . 17900 1 993 . 1 1 88 88 TYR H H 1 8.953 0.020 . 1 . . . A 88 TYR H . 17900 1 994 . 1 1 88 88 TYR HA H 1 4.426 0.020 . 1 . . . A 88 TYR HA . 17900 1 995 . 1 1 88 88 TYR HB2 H 1 2.729 0.020 . 2 . . . A 88 TYR HB2 . 17900 1 996 . 1 1 88 88 TYR HB3 H 1 2.729 0.020 . 2 . . . A 88 TYR HB3 . 17900 1 997 . 1 1 88 88 TYR HD1 H 1 6.126 0.020 . 1 . . . A 88 TYR HD1 . 17900 1 998 . 1 1 88 88 TYR HD2 H 1 6.126 0.020 . 1 . . . A 88 TYR HD2 . 17900 1 999 . 1 1 88 88 TYR HE1 H 1 6.478 0.020 . 1 . . . A 88 TYR HE1 . 17900 1 1000 . 1 1 88 88 TYR HE2 H 1 6.478 0.020 . 1 . . . A 88 TYR HE2 . 17900 1 1001 . 1 1 88 88 TYR C C 13 174.209 0.400 . 1 . . . A 88 TYR C . 17900 1 1002 . 1 1 88 88 TYR CA C 13 56.731 0.400 . 1 . . . A 88 TYR CA . 17900 1 1003 . 1 1 88 88 TYR CB C 13 40.365 0.400 . 1 . . . A 88 TYR CB . 17900 1 1004 . 1 1 88 88 TYR CD1 C 13 132.455 0.400 . 1 . . . A 88 TYR CD1 . 17900 1 1005 . 1 1 88 88 TYR CE1 C 13 117.846 0.400 . 1 . . . A 88 TYR CE1 . 17900 1 1006 . 1 1 88 88 TYR N N 15 124.340 0.400 . 1 . . . A 88 TYR N . 17900 1 1007 . 1 1 89 89 ASN H H 1 8.235 0.020 . 1 . . . A 89 ASN H . 17900 1 1008 . 1 1 89 89 ASN HA H 1 4.566 0.020 . 1 . . . A 89 ASN HA . 17900 1 1009 . 1 1 89 89 ASN HB2 H 1 2.911 0.020 . 2 . . . A 89 ASN HB2 . 17900 1 1010 . 1 1 89 89 ASN HB3 H 1 2.337 0.020 . 2 . . . A 89 ASN HB3 . 17900 1 1011 . 1 1 89 89 ASN HD21 H 1 7.321 0.020 . 2 . . . A 89 ASN HD21 . 17900 1 1012 . 1 1 89 89 ASN HD22 H 1 6.724 0.020 . 2 . . . A 89 ASN HD22 . 17900 1 1013 . 1 1 89 89 ASN C C 13 173.916 0.400 . 1 . . . A 89 ASN C . 17900 1 1014 . 1 1 89 89 ASN CA C 13 51.415 0.400 . 1 . . . A 89 ASN CA . 17900 1 1015 . 1 1 89 89 ASN CB C 13 38.239 0.400 . 1 . . . A 89 ASN CB . 17900 1 1016 . 1 1 89 89 ASN N N 15 127.271 0.400 . 1 . . . A 89 ASN N . 17900 1 1017 . 1 1 89 89 ASN ND2 N 15 112.379 0.400 . 1 . . . A 89 ASN ND2 . 17900 1 1018 . 1 1 90 90 GLU H H 1 8.553 0.020 . 1 . . . A 90 GLU H . 17900 1 1019 . 1 1 90 90 GLU HA H 1 3.590 0.020 . 1 . . . A 90 GLU HA . 17900 1 1020 . 1 1 90 90 GLU HB2 H 1 1.984 0.020 . 2 . . . A 90 GLU HB2 . 17900 1 1021 . 1 1 90 90 GLU HB3 H 1 1.984 0.020 . 2 . . . A 90 GLU HB3 . 17900 1 1022 . 1 1 90 90 GLU HG2 H 1 2.336 0.020 . 2 . . . A 90 GLU HG2 . 17900 1 1023 . 1 1 90 90 GLU HG3 H 1 2.336 0.020 . 2 . . . A 90 GLU HG3 . 17900 1 1024 . 1 1 90 90 GLU C C 13 177.783 0.400 . 1 . . . A 90 GLU C . 17900 1 1025 . 1 1 90 90 GLU CA C 13 58.336 0.400 . 1 . . . A 90 GLU CA . 17900 1 1026 . 1 1 90 90 GLU CB C 13 29.447 0.400 . 1 . . . A 90 GLU CB . 17900 1 1027 . 1 1 90 90 GLU CG C 13 35.878 0.400 . 1 . . . A 90 GLU CG . 17900 1 1028 . 1 1 90 90 GLU N N 15 123.373 0.400 . 1 . . . A 90 GLU N . 17900 1 1029 . 1 1 91 91 LEU H H 1 8.068 0.020 . 1 . . . A 91 LEU H . 17900 1 1030 . 1 1 91 91 LEU HA H 1 4.169 0.020 . 1 . . . A 91 LEU HA . 17900 1 1031 . 1 1 91 91 LEU HB2 H 1 1.777 0.020 . 2 . . . A 91 LEU HB2 . 17900 1 1032 . 1 1 91 91 LEU HB3 H 1 1.553 0.020 . 2 . . . A 91 LEU HB3 . 17900 1 1033 . 1 1 91 91 LEU HG H 1 1.591 0.020 . 1 . . . A 91 LEU HG . 17900 1 1034 . 1 1 91 91 LEU HD11 H 1 1.004 0.020 . 1 . . . A 91 LEU HD11 . 17900 1 1035 . 1 1 91 91 LEU HD12 H 1 1.004 0.020 . 1 . . . A 91 LEU HD12 . 17900 1 1036 . 1 1 91 91 LEU HD13 H 1 1.004 0.020 . 1 . . . A 91 LEU HD13 . 17900 1 1037 . 1 1 91 91 LEU HD21 H 1 0.880 0.020 . 1 . . . A 91 LEU HD21 . 17900 1 1038 . 1 1 91 91 LEU HD22 H 1 0.880 0.020 . 1 . . . A 91 LEU HD22 . 17900 1 1039 . 1 1 91 91 LEU HD23 H 1 0.880 0.020 . 1 . . . A 91 LEU HD23 . 17900 1 1040 . 1 1 91 91 LEU C C 13 178.780 0.400 . 1 . . . A 91 LEU C . 17900 1 1041 . 1 1 91 91 LEU CA C 13 56.982 0.400 . 1 . . . A 91 LEU CA . 17900 1 1042 . 1 1 91 91 LEU CB C 13 41.785 0.400 . 1 . . . A 91 LEU CB . 17900 1 1043 . 1 1 91 91 LEU CG C 13 26.936 0.400 . 1 . . . A 91 LEU CG . 17900 1 1044 . 1 1 91 91 LEU CD1 C 13 24.326 0.400 . 1 . . . A 91 LEU CD1 . 17900 1 1045 . 1 1 91 91 LEU CD2 C 13 23.663 0.400 . 1 . . . A 91 LEU CD2 . 17900 1 1046 . 1 1 91 91 LEU N N 15 117.251 0.400 . 1 . . . A 91 LEU N . 17900 1 1047 . 1 1 92 92 THR H H 1 6.973 0.020 . 1 . . . A 92 THR H . 17900 1 1048 . 1 1 92 92 THR HA H 1 4.303 0.020 . 1 . . . A 92 THR HA . 17900 1 1049 . 1 1 92 92 THR HB H 1 4.231 0.020 . 1 . . . A 92 THR HB . 17900 1 1050 . 1 1 92 92 THR HG21 H 1 1.018 0.020 . 1 . . . A 92 THR HG21 . 17900 1 1051 . 1 1 92 92 THR HG22 H 1 1.018 0.020 . 1 . . . A 92 THR HG22 . 17900 1 1052 . 1 1 92 92 THR HG23 H 1 1.018 0.020 . 1 . . . A 92 THR HG23 . 17900 1 1053 . 1 1 92 92 THR C C 13 176.260 0.400 . 1 . . . A 92 THR C . 17900 1 1054 . 1 1 92 92 THR CA C 13 61.052 0.400 . 1 . . . A 92 THR CA . 17900 1 1055 . 1 1 92 92 THR CB C 13 69.678 0.400 . 1 . . . A 92 THR CB . 17900 1 1056 . 1 1 92 92 THR CG2 C 13 21.750 0.400 . 1 . . . A 92 THR CG2 . 17900 1 1057 . 1 1 92 92 THR N N 15 105.157 0.400 . 1 . . . A 92 THR N . 17900 1 1058 . 1 1 93 93 GLY H H 1 8.262 0.020 . 1 . . . A 93 GLY H . 17900 1 1059 . 1 1 93 93 GLY HA2 H 1 4.095 0.020 . 2 . . . A 93 GLY HA2 . 17900 1 1060 . 1 1 93 93 GLY HA3 H 1 3.661 0.020 . 2 . . . A 93 GLY HA3 . 17900 1 1061 . 1 1 93 93 GLY C C 13 173.095 0.400 . 1 . . . A 93 GLY C . 17900 1 1062 . 1 1 93 93 GLY CA C 13 45.303 0.400 . 1 . . . A 93 GLY CA . 17900 1 1063 . 1 1 93 93 GLY N N 15 111.346 0.400 . 1 . . . A 93 GLY N . 17900 1 1064 . 1 1 94 94 ASP H H 1 7.383 0.020 . 1 . . . A 94 ASP H . 17900 1 1065 . 1 1 94 94 ASP HA H 1 4.194 0.020 . 1 . . . A 94 ASP HA . 17900 1 1066 . 1 1 94 94 ASP HB2 H 1 2.638 0.020 . 2 . . . A 94 ASP HB2 . 17900 1 1067 . 1 1 94 94 ASP HB3 H 1 2.378 0.020 . 2 . . . A 94 ASP HB3 . 17900 1 1068 . 1 1 94 94 ASP C C 13 174.150 0.400 . 1 . . . A 94 ASP C . 17900 1 1069 . 1 1 94 94 ASP CA C 13 53.371 0.400 . 1 . . . A 94 ASP CA . 17900 1 1070 . 1 1 94 94 ASP CB C 13 42.205 0.400 . 1 . . . A 94 ASP CB . 17900 1 1071 . 1 1 94 94 ASP N N 15 118.497 0.400 . 1 . . . A 94 ASP N . 17900 1 1072 . 1 1 95 95 TYR H H 1 8.599 0.020 . 1 . . . A 95 TYR H . 17900 1 1073 . 1 1 95 95 TYR HA H 1 5.113 0.020 . 1 . . . A 95 TYR HA . 17900 1 1074 . 1 1 95 95 TYR HB2 H 1 2.815 0.020 . 1 . . . A 95 TYR HB2 . 17900 1 1075 . 1 1 95 95 TYR HB3 H 1 2.621 0.020 . 1 . . . A 95 TYR HB3 . 17900 1 1076 . 1 1 95 95 TYR HD1 H 1 7.104 0.020 . 1 . . . A 95 TYR HD1 . 17900 1 1077 . 1 1 95 95 TYR HD2 H 1 7.104 0.020 . 1 . . . A 95 TYR HD2 . 17900 1 1078 . 1 1 95 95 TYR HE1 H 1 6.699 0.020 . 1 . . . A 95 TYR HE1 . 17900 1 1079 . 1 1 95 95 TYR HE2 H 1 6.699 0.020 . 1 . . . A 95 TYR HE2 . 17900 1 1080 . 1 1 95 95 TYR C C 13 175.029 0.400 . 1 . . . A 95 TYR C . 17900 1 1081 . 1 1 95 95 TYR CA C 13 57.985 0.400 . 1 . . . A 95 TYR CA . 17900 1 1082 . 1 1 95 95 TYR CB C 13 40.782 0.400 . 1 . . . A 95 TYR CB . 17900 1 1083 . 1 1 95 95 TYR CD1 C 13 133.185 0.400 . 1 . . . A 95 TYR CD1 . 17900 1 1084 . 1 1 95 95 TYR CE1 C 13 117.690 0.400 . 1 . . . A 95 TYR CE1 . 17900 1 1085 . 1 1 95 95 TYR N N 15 115.393 0.400 . 1 . . . A 95 TYR N . 17900 1 1086 . 1 1 96 96 VAL H H 1 9.015 0.020 . 1 . . . A 96 VAL H . 17900 1 1087 . 1 1 96 96 VAL HA H 1 4.707 0.020 . 1 . . . A 96 VAL HA . 17900 1 1088 . 1 1 96 96 VAL HB H 1 2.017 0.020 . 1 . . . A 96 VAL HB . 17900 1 1089 . 1 1 96 96 VAL HG11 H 1 0.856 0.020 . 2 . . . A 96 VAL HG11 . 17900 1 1090 . 1 1 96 96 VAL HG12 H 1 0.856 0.020 . 2 . . . A 96 VAL HG12 . 17900 1 1091 . 1 1 96 96 VAL HG13 H 1 0.856 0.020 . 2 . . . A 96 VAL HG13 . 17900 1 1092 . 1 1 96 96 VAL HG21 H 1 0.856 0.020 . 2 . . . A 96 VAL HG21 . 17900 1 1093 . 1 1 96 96 VAL HG22 H 1 0.856 0.020 . 2 . . . A 96 VAL HG22 . 17900 1 1094 . 1 1 96 96 VAL HG23 H 1 0.856 0.020 . 2 . . . A 96 VAL HG23 . 17900 1 1095 . 1 1 96 96 VAL C C 13 175.439 0.400 . 1 . . . A 96 VAL C . 17900 1 1096 . 1 1 96 96 VAL CA C 13 61.195 0.400 . 1 . . . A 96 VAL CA . 17900 1 1097 . 1 1 96 96 VAL CB C 13 33.309 0.400 . 1 . . . A 96 VAL CB . 17900 1 1098 . 1 1 96 96 VAL CG1 C 13 21.126 0.400 . 1 . . . A 96 VAL CG1 . 17900 1 1099 . 1 1 96 96 VAL N N 15 121.653 0.400 . 1 . . . A 96 VAL N . 17900 1 1100 . 1 1 97 97 LEU H H 1 9.520 0.020 . 1 . . . A 97 LEU H . 17900 1 1101 . 1 1 97 97 LEU HA H 1 5.523 0.020 . 1 . . . A 97 LEU HA . 17900 1 1102 . 1 1 97 97 LEU HB2 H 1 2.000 0.020 . 1 . . . A 97 LEU HB2 . 17900 1 1103 . 1 1 97 97 LEU HB3 H 1 1.264 0.020 . 1 . . . A 97 LEU HB3 . 17900 1 1104 . 1 1 97 97 LEU HG H 1 1.535 0.020 . 1 . . . A 97 LEU HG . 17900 1 1105 . 1 1 97 97 LEU HD11 H 1 0.855 0.020 . 1 . . . A 97 LEU HD11 . 17900 1 1106 . 1 1 97 97 LEU HD12 H 1 0.855 0.020 . 1 . . . A 97 LEU HD12 . 17900 1 1107 . 1 1 97 97 LEU HD13 H 1 0.855 0.020 . 1 . . . A 97 LEU HD13 . 17900 1 1108 . 1 1 97 97 LEU HD21 H 1 0.724 0.020 . 1 . . . A 97 LEU HD21 . 17900 1 1109 . 1 1 97 97 LEU HD22 H 1 0.724 0.020 . 1 . . . A 97 LEU HD22 . 17900 1 1110 . 1 1 97 97 LEU HD23 H 1 0.724 0.020 . 1 . . . A 97 LEU HD23 . 17900 1 1111 . 1 1 97 97 LEU C C 13 175.732 0.400 . 1 . . . A 97 LEU C . 17900 1 1112 . 1 1 97 97 LEU CA C 13 52.332 0.400 . 1 . . . A 97 LEU CA . 17900 1 1113 . 1 1 97 97 LEU CB C 13 45.712 0.400 . 1 . . . A 97 LEU CB . 17900 1 1114 . 1 1 97 97 LEU CG C 13 27.254 0.400 . 1 . . . A 97 LEU CG . 17900 1 1115 . 1 1 97 97 LEU CD1 C 13 24.245 0.400 . 1 . . . A 97 LEU CD1 . 17900 1 1116 . 1 1 97 97 LEU CD2 C 13 26.660 0.400 . 1 . . . A 97 LEU CD2 . 17900 1 1117 . 1 1 97 97 LEU N N 15 131.415 0.400 . 1 . . . A 97 LEU N . 17900 1 1118 . 1 1 98 98 GLU H H 1 9.734 0.020 . 1 . . . A 98 GLU H . 17900 1 1119 . 1 1 98 98 GLU HA H 1 5.303 0.020 . 1 . . . A 98 GLU HA . 17900 1 1120 . 1 1 98 98 GLU HB2 H 1 1.971 0.020 . 2 . . . A 98 GLU HB2 . 17900 1 1121 . 1 1 98 98 GLU HB3 H 1 1.912 0.020 . 2 . . . A 98 GLU HB3 . 17900 1 1122 . 1 1 98 98 GLU HG2 H 1 2.137 0.020 . 2 . . . A 98 GLU HG2 . 17900 1 1123 . 1 1 98 98 GLU HG3 H 1 2.137 0.020 . 2 . . . A 98 GLU HG3 . 17900 1 1124 . 1 1 98 98 GLU C C 13 175.381 0.400 . 1 . . . A 98 GLU C . 17900 1 1125 . 1 1 98 98 GLU CA C 13 54.374 0.400 . 1 . . . A 98 GLU CA . 17900 1 1126 . 1 1 98 98 GLU CB C 13 33.760 0.400 . 1 . . . A 98 GLU CB . 17900 1 1127 . 1 1 98 98 GLU CG C 13 37.350 0.400 . 1 . . . A 98 GLU CG . 17900 1 1128 . 1 1 98 98 GLU N N 15 125.278 0.400 . 1 . . . A 98 GLU N . 17900 1 1129 . 1 1 99 99 ILE H H 1 9.148 0.020 . 1 . . . A 99 ILE H . 17900 1 1130 . 1 1 99 99 ILE HA H 1 5.138 0.020 . 1 . . . A 99 ILE HA . 17900 1 1131 . 1 1 99 99 ILE HB H 1 1.438 0.020 . 1 . . . A 99 ILE HB . 17900 1 1132 . 1 1 99 99 ILE HG12 H 1 1.169 0.020 . 2 . . . A 99 ILE HG12 . 17900 1 1133 . 1 1 99 99 ILE HG13 H 1 1.071 0.020 . 2 . . . A 99 ILE HG13 . 17900 1 1134 . 1 1 99 99 ILE HG21 H 1 -0.455 0.020 . 1 . . . A 99 ILE HG21 . 17900 1 1135 . 1 1 99 99 ILE HG22 H 1 -0.455 0.020 . 1 . . . A 99 ILE HG22 . 17900 1 1136 . 1 1 99 99 ILE HG23 H 1 -0.455 0.020 . 1 . . . A 99 ILE HG23 . 17900 1 1137 . 1 1 99 99 ILE HD11 H 1 0.645 0.020 . 1 . . . A 99 ILE HD11 . 17900 1 1138 . 1 1 99 99 ILE HD12 H 1 0.645 0.020 . 1 . . . A 99 ILE HD12 . 17900 1 1139 . 1 1 99 99 ILE HD13 H 1 0.645 0.020 . 1 . . . A 99 ILE HD13 . 17900 1 1140 . 1 1 99 99 ILE C C 13 176.143 0.400 . 1 . . . A 99 ILE C . 17900 1 1141 . 1 1 99 99 ILE CA C 13 57.634 0.400 . 1 . . . A 99 ILE CA . 17900 1 1142 . 1 1 99 99 ILE CB C 13 39.697 0.400 . 1 . . . A 99 ILE CB . 17900 1 1143 . 1 1 99 99 ILE CG1 C 13 27.792 0.400 . 1 . . . A 99 ILE CG1 . 17900 1 1144 . 1 1 99 99 ILE CG2 C 13 15.154 0.400 . 1 . . . A 99 ILE CG2 . 17900 1 1145 . 1 1 99 99 ILE CD1 C 13 12.876 0.400 . 1 . . . A 99 ILE CD1 . 17900 1 1146 . 1 1 99 99 ILE N N 15 127.155 0.400 . 1 . . . A 99 ILE N . 17900 1 1147 . 1 1 100 100 THR H H 1 8.501 0.020 . 1 . . . A 100 THR H . 17900 1 1148 . 1 1 100 100 THR HA H 1 5.245 0.020 . 1 . . . A 100 THR HA . 17900 1 1149 . 1 1 100 100 THR HB H 1 3.964 0.020 . 1 . . . A 100 THR HB . 17900 1 1150 . 1 1 100 100 THR HG21 H 1 1.045 0.020 . 1 . . . A 100 THR HG21 . 17900 1 1151 . 1 1 100 100 THR HG22 H 1 1.045 0.020 . 1 . . . A 100 THR HG22 . 17900 1 1152 . 1 1 100 100 THR HG23 H 1 1.045 0.020 . 1 . . . A 100 THR HG23 . 17900 1 1153 . 1 1 100 100 THR C C 13 172.275 0.400 . 1 . . . A 100 THR C . 17900 1 1154 . 1 1 100 100 THR CA C 13 61.295 0.400 . 1 . . . A 100 THR CA . 17900 1 1155 . 1 1 100 100 THR CB C 13 70.925 0.400 . 1 . . . A 100 THR CB . 17900 1 1156 . 1 1 100 100 THR CG2 C 13 21.235 0.400 . 1 . . . A 100 THR CG2 . 17900 1 1157 . 1 1 100 100 THR N N 15 122.083 0.400 . 1 . . . A 100 THR N . 17900 1 1158 . 1 1 101 101 ASP H H 1 8.595 0.020 . 1 . . . A 101 ASP H . 17900 1 1159 . 1 1 101 101 ASP HA H 1 5.361 0.020 . 1 . . . A 101 ASP HA . 17900 1 1160 . 1 1 101 101 ASP HB2 H 1 2.760 0.020 . 2 . . . A 101 ASP HB2 . 17900 1 1161 . 1 1 101 101 ASP HB3 H 1 2.510 0.020 . 2 . . . A 101 ASP HB3 . 17900 1 1162 . 1 1 101 101 ASP C C 13 173.564 0.400 . 1 . . . A 101 ASP C . 17900 1 1163 . 1 1 101 101 ASP CA C 13 52.368 0.400 . 1 . . . A 101 ASP CA . 17900 1 1164 . 1 1 101 101 ASP CB C 13 44.752 0.400 . 1 . . . A 101 ASP CB . 17900 1 1165 . 1 1 101 101 ASP N N 15 125.979 0.400 . 1 . . . A 101 ASP N . 17900 1 1166 . 1 1 102 102 PHE H H 1 10.504 0.020 . 1 . . . A 102 PHE H . 17900 1 1167 . 1 1 102 102 PHE HA H 1 5.477 0.020 . 1 . . . A 102 PHE HA . 17900 1 1168 . 1 1 102 102 PHE HB2 H 1 2.894 0.020 . 2 . . . A 102 PHE HB2 . 17900 1 1169 . 1 1 102 102 PHE HB3 H 1 2.629 0.020 . 2 . . . A 102 PHE HB3 . 17900 1 1170 . 1 1 102 102 PHE HD1 H 1 7.381 0.020 . 1 . . . A 102 PHE HD1 . 17900 1 1171 . 1 1 102 102 PHE HD2 H 1 7.381 0.020 . 1 . . . A 102 PHE HD2 . 17900 1 1172 . 1 1 102 102 PHE C C 13 175.029 0.400 . 1 . . . A 102 PHE C . 17900 1 1173 . 1 1 102 102 PHE CA C 13 56.932 0.400 . 1 . . . A 102 PHE CA . 17900 1 1174 . 1 1 102 102 PHE CB C 13 43.741 0.400 . 1 . . . A 102 PHE CB . 17900 1 1175 . 1 1 102 102 PHE CD1 C 13 131.644 0.400 . 1 . . . A 102 PHE CD1 . 17900 1 1176 . 1 1 102 102 PHE N N 15 119.081 0.400 . 1 . . . A 102 PHE N . 17900 1 1177 . 1 1 103 103 SER H H 1 8.985 0.020 . 1 . . . A 103 SER H . 17900 1 1178 . 1 1 103 103 SER HA H 1 4.749 0.020 . 1 . . . A 103 SER HA . 17900 1 1179 . 1 1 103 103 SER HB2 H 1 3.901 0.020 . 2 . . . A 103 SER HB2 . 17900 1 1180 . 1 1 103 103 SER HB3 H 1 3.441 0.020 . 2 . . . A 103 SER HB3 . 17900 1 1181 . 1 1 103 103 SER C C 13 175.146 0.400 . 1 . . . A 103 SER C . 17900 1 1182 . 1 1 103 103 SER CA C 13 57.067 0.400 . 1 . . . A 103 SER CA . 17900 1 1183 . 1 1 103 103 SER CB C 13 67.120 0.400 . 1 . . . A 103 SER CB . 17900 1 1184 . 1 1 103 103 SER N N 15 112.365 0.400 . 1 . . . A 103 SER N . 17900 1 1185 . 1 1 104 104 GLU H H 1 9.521 0.020 . 1 . . . A 104 GLU H . 17900 1 1186 . 1 1 104 104 GLU HA H 1 4.616 0.020 . 1 . . . A 104 GLU HA . 17900 1 1187 . 1 1 104 104 GLU HB2 H 1 2.307 0.020 . 2 . . . A 104 GLU HB2 . 17900 1 1188 . 1 1 104 104 GLU HB3 H 1 2.307 0.020 . 2 . . . A 104 GLU HB3 . 17900 1 1189 . 1 1 104 104 GLU HG2 H 1 2.422 0.020 . 2 . . . A 104 GLU HG2 . 17900 1 1190 . 1 1 104 104 GLU HG3 H 1 2.336 0.020 . 2 . . . A 104 GLU HG3 . 17900 1 1191 . 1 1 104 104 GLU C C 13 179.952 0.400 . 1 . . . A 104 GLU C . 17900 1 1192 . 1 1 104 104 GLU CA C 13 57.985 0.400 . 1 . . . A 104 GLU CA . 17900 1 1193 . 1 1 104 104 GLU CB C 13 29.572 0.400 . 1 . . . A 104 GLU CB . 17900 1 1194 . 1 1 104 104 GLU CG C 13 37.129 0.400 . 1 . . . A 104 GLU CG . 17900 1 1195 . 1 1 104 104 GLU N N 15 126.723 0.400 . 1 . . . A 104 GLU N . 17900 1 1196 . 1 1 105 105 ALA H H 1 9.390 0.020 . 1 . . . A 105 ALA H . 17900 1 1197 . 1 1 105 105 ALA HA H 1 4.037 0.020 . 1 . . . A 105 ALA HA . 17900 1 1198 . 1 1 105 105 ALA HB1 H 1 1.512 0.020 . 1 . . . A 105 ALA HB1 . 17900 1 1199 . 1 1 105 105 ALA HB2 H 1 1.512 0.020 . 1 . . . A 105 ALA HB2 . 17900 1 1200 . 1 1 105 105 ALA HB3 H 1 1.512 0.020 . 1 . . . A 105 ALA HB3 . 17900 1 1201 . 1 1 105 105 ALA C C 13 179.952 0.400 . 1 . . . A 105 ALA C . 17900 1 1202 . 1 1 105 105 ALA CA C 13 56.164 0.400 . 1 . . . A 105 ALA CA . 17900 1 1203 . 1 1 105 105 ALA CB C 13 18.448 0.400 . 1 . . . A 105 ALA CB . 17900 1 1204 . 1 1 105 105 ALA N N 15 129.298 0.400 . 1 . . . A 105 ALA N . 17900 1 1205 . 1 1 106 106 ASP H H 1 8.848 0.020 . 1 . . . A 106 ASP H . 17900 1 1206 . 1 1 106 106 ASP HA H 1 4.525 0.020 . 1 . . . A 106 ASP HA . 17900 1 1207 . 1 1 106 106 ASP HB2 H 1 2.762 0.020 . 2 . . . A 106 ASP HB2 . 17900 1 1208 . 1 1 106 106 ASP HB3 H 1 2.762 0.020 . 2 . . . A 106 ASP HB3 . 17900 1 1209 . 1 1 106 106 ASP C C 13 176.553 0.400 . 1 . . . A 106 ASP C . 17900 1 1210 . 1 1 106 106 ASP CA C 13 55.929 0.400 . 1 . . . A 106 ASP CA . 17900 1 1211 . 1 1 106 106 ASP CB C 13 39.929 0.400 . 1 . . . A 106 ASP CB . 17900 1 1212 . 1 1 106 106 ASP N N 15 114.724 0.400 . 1 . . . A 106 ASP N . 17900 1 1213 . 1 1 107 107 GLU H H 1 7.427 0.020 . 1 . . . A 107 GLU H . 17900 1 1214 . 1 1 107 107 GLU HA H 1 4.699 0.020 . 1 . . . A 107 GLU HA . 17900 1 1215 . 1 1 107 107 GLU HB2 H 1 2.356 0.020 . 2 . . . A 107 GLU HB2 . 17900 1 1216 . 1 1 107 107 GLU HB3 H 1 1.769 0.020 . 2 . . . A 107 GLU HB3 . 17900 1 1217 . 1 1 107 107 GLU HG2 H 1 2.237 0.020 . 2 . . . A 107 GLU HG2 . 17900 1 1218 . 1 1 107 107 GLU HG3 H 1 2.237 0.020 . 2 . . . A 107 GLU HG3 . 17900 1 1219 . 1 1 107 107 GLU C C 13 176.436 0.400 . 1 . . . A 107 GLU C . 17900 1 1220 . 1 1 107 107 GLU CA C 13 55.577 0.400 . 1 . . . A 107 GLU CA . 17900 1 1221 . 1 1 107 107 GLU CB C 13 31.202 0.400 . 1 . . . A 107 GLU CB . 17900 1 1222 . 1 1 107 107 GLU CG C 13 36.107 0.400 . 1 . . . A 107 GLU CG . 17900 1 1223 . 1 1 107 107 GLU N N 15 116.960 0.400 . 1 . . . A 107 GLU N . 17900 1 1224 . 1 1 108 108 ALA H H 1 7.325 0.020 . 1 . . . A 108 ALA H . 17900 1 1225 . 1 1 108 108 ALA HA H 1 4.070 0.020 . 1 . . . A 108 ALA HA . 17900 1 1226 . 1 1 108 108 ALA HB1 H 1 1.416 0.020 . 1 . . . A 108 ALA HB1 . 17900 1 1227 . 1 1 108 108 ALA HB2 H 1 1.416 0.020 . 1 . . . A 108 ALA HB2 . 17900 1 1228 . 1 1 108 108 ALA HB3 H 1 1.416 0.020 . 1 . . . A 108 ALA HB3 . 17900 1 1229 . 1 1 108 108 ALA C C 13 179.366 0.400 . 1 . . . A 108 ALA C . 17900 1 1230 . 1 1 108 108 ALA CA C 13 55.878 0.400 . 1 . . . A 108 ALA CA . 17900 1 1231 . 1 1 108 108 ALA CB C 13 18.625 0.400 . 1 . . . A 108 ALA CB . 17900 1 1232 . 1 1 108 108 ALA N N 15 123.736 0.400 . 1 . . . A 108 ALA N . 17900 1 1233 . 1 1 109 109 ASP H H 1 8.603 0.020 . 1 . . . A 109 ASP H . 17900 1 1234 . 1 1 109 109 ASP HA H 1 4.417 0.020 . 1 . . . A 109 ASP HA . 17900 1 1235 . 1 1 109 109 ASP HB2 H 1 2.671 0.020 . 2 . . . A 109 ASP HB2 . 17900 1 1236 . 1 1 109 109 ASP HB3 H 1 2.671 0.020 . 2 . . . A 109 ASP HB3 . 17900 1 1237 . 1 1 109 109 ASP C C 13 178.956 0.400 . 1 . . . A 109 ASP C . 17900 1 1238 . 1 1 109 109 ASP CA C 13 57.784 0.400 . 1 . . . A 109 ASP CA . 17900 1 1239 . 1 1 109 109 ASP CB C 13 39.578 0.400 . 1 . . . A 109 ASP CB . 17900 1 1240 . 1 1 109 109 ASP N N 15 117.973 0.400 . 1 . . . A 109 ASP N . 17900 1 1241 . 1 1 110 110 ASP H H 1 7.987 0.020 . 1 . . . A 110 ASP H . 17900 1 1242 . 1 1 110 110 ASP HA H 1 4.326 0.020 . 1 . . . A 110 ASP HA . 17900 1 1243 . 1 1 110 110 ASP HB2 H 1 2.704 0.020 . 2 . . . A 110 ASP HB2 . 17900 1 1244 . 1 1 110 110 ASP HB3 H 1 2.563 0.020 . 2 . . . A 110 ASP HB3 . 17900 1 1245 . 1 1 110 110 ASP C C 13 178.721 0.400 . 1 . . . A 110 ASP C . 17900 1 1246 . 1 1 110 110 ASP CA C 13 57.132 0.400 . 1 . . . A 110 ASP CA . 17900 1 1247 . 1 1 110 110 ASP CB C 13 40.030 0.400 . 1 . . . A 110 ASP CB . 17900 1 1248 . 1 1 110 110 ASP N N 15 121.058 0.400 . 1 . . . A 110 ASP N . 17900 1 1249 . 1 1 111 111 LEU H H 1 7.859 0.020 . 1 . . . A 111 LEU H . 17900 1 1250 . 1 1 111 111 LEU HA H 1 4.252 0.020 . 1 . . . A 111 LEU HA . 17900 1 1251 . 1 1 111 111 LEU HB2 H 1 1.661 0.020 . 1 . . . A 111 LEU HB2 . 17900 1 1252 . 1 1 111 111 LEU HB3 H 1 1.984 0.020 . 1 . . . A 111 LEU HB3 . 17900 1 1253 . 1 1 111 111 LEU HG H 1 1.013 0.020 . 1 . . . A 111 LEU HG . 17900 1 1254 . 1 1 111 111 LEU HD11 H 1 1.018 0.020 . 2 . . . A 111 LEU HD11 . 17900 1 1255 . 1 1 111 111 LEU HD12 H 1 1.018 0.020 . 2 . . . A 111 LEU HD12 . 17900 1 1256 . 1 1 111 111 LEU HD13 H 1 1.018 0.020 . 2 . . . A 111 LEU HD13 . 17900 1 1257 . 1 1 111 111 LEU HD21 H 1 1.018 0.020 . 2 . . . A 111 LEU HD21 . 17900 1 1258 . 1 1 111 111 LEU HD22 H 1 1.018 0.020 . 2 . . . A 111 LEU HD22 . 17900 1 1259 . 1 1 111 111 LEU HD23 H 1 1.018 0.020 . 2 . . . A 111 LEU HD23 . 17900 1 1260 . 1 1 111 111 LEU C C 13 178.663 0.400 . 1 . . . A 111 LEU C . 17900 1 1261 . 1 1 111 111 LEU CA C 13 57.534 0.400 . 1 . . . A 111 LEU CA . 17900 1 1262 . 1 1 111 111 LEU CB C 13 41.735 0.400 . 1 . . . A 111 LEU CB . 17900 1 1263 . 1 1 111 111 LEU CG C 13 26.165 0.400 . 1 . . . A 111 LEU CG . 17900 1 1264 . 1 1 111 111 LEU CD1 C 13 27.761 0.400 . 1 . . . A 111 LEU CD1 . 17900 1 1265 . 1 1 111 111 LEU N N 15 123.156 0.400 . 1 . . . A 111 LEU N . 17900 1 1266 . 1 1 112 112 LYS H H 1 8.339 0.020 . 1 . . . A 112 LYS H . 17900 1 1267 . 1 1 112 112 LYS HA H 1 4.086 0.020 . 1 . . . A 112 LYS HA . 17900 1 1268 . 1 1 112 112 LYS HB2 H 1 2.083 0.020 . 2 . . . A 112 LYS HB2 . 17900 1 1269 . 1 1 112 112 LYS HB3 H 1 2.025 0.020 . 2 . . . A 112 LYS HB3 . 17900 1 1270 . 1 1 112 112 LYS HG2 H 1 1.745 0.020 . 2 . . . A 112 LYS HG2 . 17900 1 1271 . 1 1 112 112 LYS HG3 H 1 1.436 0.020 . 2 . . . A 112 LYS HG3 . 17900 1 1272 . 1 1 112 112 LYS HD2 H 1 1.915 0.020 . 2 . . . A 112 LYS HD2 . 17900 1 1273 . 1 1 112 112 LYS HD3 H 1 1.753 0.020 . 2 . . . A 112 LYS HD3 . 17900 1 1274 . 1 1 112 112 LYS HE2 H 1 2.976 0.020 . 2 . . . A 112 LYS HE2 . 17900 1 1275 . 1 1 112 112 LYS HE3 H 1 2.976 0.020 . 2 . . . A 112 LYS HE3 . 17900 1 1276 . 1 1 112 112 LYS C C 13 177.725 0.400 . 1 . . . A 112 LYS C . 17900 1 1277 . 1 1 112 112 LYS CA C 13 60.543 0.400 . 1 . . . A 112 LYS CA . 17900 1 1278 . 1 1 112 112 LYS CB C 13 32.256 0.400 . 1 . . . A 112 LYS CB . 17900 1 1279 . 1 1 112 112 LYS CG C 13 25.724 0.400 . 1 . . . A 112 LYS CG . 17900 1 1280 . 1 1 112 112 LYS CD C 13 29.256 0.400 . 1 . . . A 112 LYS CD . 17900 1 1281 . 1 1 112 112 LYS CE C 13 42.212 0.400 . 1 . . . A 112 LYS CE . 17900 1 1282 . 1 1 112 112 LYS N N 15 119.047 0.400 . 1 . . . A 112 LYS N . 17900 1 1283 . 1 1 113 113 GLU H H 1 7.895 0.020 . 1 . . . A 113 GLU H . 17900 1 1284 . 1 1 113 113 GLU HA H 1 4.078 0.020 . 1 . . . A 113 GLU HA . 17900 1 1285 . 1 1 113 113 GLU HB2 H 1 2.133 0.020 . 2 . . . A 113 GLU HB2 . 17900 1 1286 . 1 1 113 113 GLU HB3 H 1 2.133 0.020 . 2 . . . A 113 GLU HB3 . 17900 1 1287 . 1 1 113 113 GLU HG2 H 1 2.472 0.020 . 2 . . . A 113 GLU HG2 . 17900 1 1288 . 1 1 113 113 GLU HG3 H 1 2.472 0.020 . 2 . . . A 113 GLU HG3 . 17900 1 1289 . 1 1 113 113 GLU C C 13 179.456 0.400 . 1 . . . A 113 GLU C . 17900 1 1290 . 1 1 113 113 GLU CA C 13 59.540 0.400 . 1 . . . A 113 GLU CA . 17900 1 1291 . 1 1 113 113 GLU CB C 13 29.347 0.400 . 1 . . . A 113 GLU CB . 17900 1 1292 . 1 1 113 113 GLU CG C 13 36.320 0.400 . 1 . . . A 113 GLU CG . 17900 1 1293 . 1 1 113 113 GLU N N 15 117.433 0.400 . 1 . . . A 113 GLU N . 17900 1 1294 . 1 1 114 114 LEU H H 1 7.811 0.020 . 1 . . . A 114 LEU H . 17900 1 1295 . 1 1 114 114 LEU HA H 1 4.053 0.020 . 1 . . . A 114 LEU HA . 17900 1 1296 . 1 1 114 114 LEU HB2 H 1 1.827 0.020 . 2 . . . A 114 LEU HB2 . 17900 1 1297 . 1 1 114 114 LEU HB3 H 1 1.437 0.020 . 2 . . . A 114 LEU HB3 . 17900 1 1298 . 1 1 114 114 LEU HG H 1 1.124 0.020 . 1 . . . A 114 LEU HG . 17900 1 1299 . 1 1 114 114 LEU HD11 H 1 0.354 0.020 . 1 . . . A 114 LEU HD11 . 17900 1 1300 . 1 1 114 114 LEU HD12 H 1 0.354 0.020 . 1 . . . A 114 LEU HD12 . 17900 1 1301 . 1 1 114 114 LEU HD13 H 1 0.354 0.020 . 1 . . . A 114 LEU HD13 . 17900 1 1302 . 1 1 114 114 LEU HD21 H 1 0.487 0.020 . 1 . . . A 114 LEU HD21 . 17900 1 1303 . 1 1 114 114 LEU HD22 H 1 0.487 0.020 . 1 . . . A 114 LEU HD22 . 17900 1 1304 . 1 1 114 114 LEU HD23 H 1 0.487 0.020 . 1 . . . A 114 LEU HD23 . 17900 1 1305 . 1 1 114 114 LEU C C 13 179.717 0.400 . 1 . . . A 114 LEU C . 17900 1 1306 . 1 1 114 114 LEU CA C 13 58.236 0.400 . 1 . . . A 114 LEU CA . 17900 1 1307 . 1 1 114 114 LEU CB C 13 40.982 0.400 . 1 . . . A 114 LEU CB . 17900 1 1308 . 1 1 114 114 LEU CG C 13 26.213 0.400 . 1 . . . A 114 LEU CG . 17900 1 1309 . 1 1 114 114 LEU CD1 C 13 24.762 0.400 . 1 . . . A 114 LEU CD1 . 17900 1 1310 . 1 1 114 114 LEU CD2 C 13 22.786 0.400 . 1 . . . A 114 LEU CD2 . 17900 1 1311 . 1 1 114 114 LEU N N 15 122.630 0.400 . 1 . . . A 114 LEU N . 17900 1 1312 . 1 1 115 115 TRP H H 1 8.501 0.020 . 1 . . . A 115 TRP H . 17900 1 1313 . 1 1 115 115 TRP HA H 1 4.798 0.020 . 1 . . . A 115 TRP HA . 17900 1 1314 . 1 1 115 115 TRP HB2 H 1 3.490 0.020 . 2 . . . A 115 TRP HB2 . 17900 1 1315 . 1 1 115 115 TRP HB3 H 1 3.242 0.020 . 2 . . . A 115 TRP HB3 . 17900 1 1316 . 1 1 115 115 TRP HD1 H 1 6.875 0.020 . 1 . . . A 115 TRP HD1 . 17900 1 1317 . 1 1 115 115 TRP HE1 H 1 9.800 0.020 . 1 . . . A 115 TRP HE1 . 17900 1 1318 . 1 1 115 115 TRP HZ2 H 1 7.195 0.020 . 1 . . . A 115 TRP HZ2 . 17900 1 1319 . 1 1 115 115 TRP C C 13 179.307 0.400 . 1 . . . A 115 TRP C . 17900 1 1320 . 1 1 115 115 TRP CA C 13 61.646 0.400 . 1 . . . A 115 TRP CA . 17900 1 1321 . 1 1 115 115 TRP CB C 13 29.497 0.400 . 1 . . . A 115 TRP CB . 17900 1 1322 . 1 1 115 115 TRP CD1 C 13 128.534 0.400 . 1 . . . A 115 TRP CD1 . 17900 1 1323 . 1 1 115 115 TRP CZ2 C 13 114.294 0.400 . 1 . . . A 115 TRP CZ2 . 17900 1 1324 . 1 1 115 115 TRP N N 15 121.158 0.400 . 1 . . . A 115 TRP N . 17900 1 1325 . 1 1 115 115 TRP NE1 N 15 129.578 0.400 . 1 . . . A 115 TRP NE1 . 17900 1 1326 . 1 1 116 116 ASP H H 1 9.258 0.020 . 1 . . . A 116 ASP H . 17900 1 1327 . 1 1 116 116 ASP HA H 1 4.492 0.020 . 1 . . . A 116 ASP HA . 17900 1 1328 . 1 1 116 116 ASP HB2 H 1 3.076 0.020 . 2 . . . A 116 ASP HB2 . 17900 1 1329 . 1 1 116 116 ASP HB3 H 1 2.778 0.020 . 2 . . . A 116 ASP HB3 . 17900 1 1330 . 1 1 116 116 ASP C C 13 180.128 0.400 . 1 . . . A 116 ASP C . 17900 1 1331 . 1 1 116 116 ASP CA C 13 57.985 0.400 . 1 . . . A 116 ASP CA . 17900 1 1332 . 1 1 116 116 ASP CB C 13 40.531 0.400 . 1 . . . A 116 ASP CB . 17900 1 1333 . 1 1 116 116 ASP N N 15 118.557 0.400 . 1 . . . A 116 ASP N . 17900 1 1334 . 1 1 117 117 SER H H 1 8.174 0.020 . 1 . . . A 117 SER H . 17900 1 1335 . 1 1 117 117 SER HA H 1 4.351 0.020 . 1 . . . A 117 SER HA . 17900 1 1336 . 1 1 117 117 SER HB2 H 1 4.119 0.020 . 2 . . . A 117 SER HB2 . 17900 1 1337 . 1 1 117 117 SER HB3 H 1 4.119 0.020 . 2 . . . A 117 SER HB3 . 17900 1 1338 . 1 1 117 117 SER C C 13 177.490 0.400 . 1 . . . A 117 SER C . 17900 1 1339 . 1 1 117 117 SER CA C 13 61.395 0.400 . 1 . . . A 117 SER CA . 17900 1 1340 . 1 1 117 117 SER CB C 13 62.699 0.400 . 1 . . . A 117 SER CB . 17900 1 1341 . 1 1 117 117 SER N N 15 116.645 0.400 . 1 . . . A 117 SER N . 17900 1 1342 . 1 1 118 118 GLN H H 1 8.520 0.020 . 1 . . . A 118 GLN H . 17900 1 1343 . 1 1 118 118 GLN HA H 1 4.484 0.020 . 1 . . . A 118 GLN HA . 17900 1 1344 . 1 1 118 118 GLN HB2 H 1 2.737 0.020 . 2 . . . A 118 GLN HB2 . 17900 1 1345 . 1 1 118 118 GLN HB3 H 1 2.431 0.020 . 2 . . . A 118 GLN HB3 . 17900 1 1346 . 1 1 118 118 GLN HG2 H 1 2.137 0.020 . 2 . . . A 118 GLN HG2 . 17900 1 1347 . 1 1 118 118 GLN HG3 H 1 2.137 0.020 . 2 . . . A 118 GLN HG3 . 17900 1 1348 . 1 1 118 118 GLN HE21 H 1 6.132 0.020 . 2 . . . A 118 GLN HE21 . 17900 1 1349 . 1 1 118 118 GLN HE22 H 1 4.928 0.020 . 2 . . . A 118 GLN HE22 . 17900 1 1350 . 1 1 118 118 GLN C C 13 179.307 0.400 . 1 . . . A 118 GLN C . 17900 1 1351 . 1 1 118 118 GLN CA C 13 59.289 0.400 . 1 . . . A 118 GLN CA . 17900 1 1352 . 1 1 118 118 GLN CB C 13 28.394 0.400 . 1 . . . A 118 GLN CB . 17900 1 1353 . 1 1 118 118 GLN CG C 13 33.704 0.400 . 1 . . . A 118 GLN CG . 17900 1 1354 . 1 1 118 118 GLN N N 15 124.510 0.400 . 1 . . . A 118 GLN N . 17900 1 1355 . 1 1 118 118 GLN NE2 N 15 107.197 0.400 . 1 . . . A 118 GLN NE2 . 17900 1 1356 . 1 1 119 119 VAL H H 1 9.558 0.020 . 1 . . . A 119 VAL H . 17900 1 1357 . 1 1 119 119 VAL HA H 1 3.492 0.020 . 1 . . . A 119 VAL HA . 17900 1 1358 . 1 1 119 119 VAL HB H 1 1.644 0.020 . 1 . . . A 119 VAL HB . 17900 1 1359 . 1 1 119 119 VAL HG11 H 1 0.672 0.020 . 2 . . . A 119 VAL HG11 . 17900 1 1360 . 1 1 119 119 VAL HG12 H 1 0.672 0.020 . 2 . . . A 119 VAL HG12 . 17900 1 1361 . 1 1 119 119 VAL HG13 H 1 0.672 0.020 . 2 . . . A 119 VAL HG13 . 17900 1 1362 . 1 1 119 119 VAL HG21 H 1 0.230 0.020 . 2 . . . A 119 VAL HG21 . 17900 1 1363 . 1 1 119 119 VAL HG22 H 1 0.230 0.020 . 2 . . . A 119 VAL HG22 . 17900 1 1364 . 1 1 119 119 VAL HG23 H 1 0.230 0.020 . 2 . . . A 119 VAL HG23 . 17900 1 1365 . 1 1 119 119 VAL C C 13 178.077 0.400 . 1 . . . A 119 VAL C . 17900 1 1366 . 1 1 119 119 VAL CA C 13 66.699 0.400 . 1 . . . A 119 VAL CA . 17900 1 1367 . 1 1 119 119 VAL CB C 13 30.851 0.400 . 1 . . . A 119 VAL CB . 17900 1 1368 . 1 1 119 119 VAL CG1 C 13 23.338 0.400 . 1 . . . A 119 VAL CG1 . 17900 1 1369 . 1 1 119 119 VAL CG2 C 13 20.683 0.400 . 1 . . . A 119 VAL CG2 . 17900 1 1370 . 1 1 119 119 VAL N N 15 121.614 0.400 . 1 . . . A 119 VAL N . 17900 1 1371 . 1 1 120 120 SER H H 1 8.130 0.020 . 1 . . . A 120 SER H . 17900 1 1372 . 1 1 120 120 SER HA H 1 4.095 0.020 . 1 . . . A 120 SER HA . 17900 1 1373 . 1 1 120 120 SER HB2 H 1 4.095 0.020 . 2 . . . A 120 SER HB2 . 17900 1 1374 . 1 1 120 120 SER HB3 H 1 4.095 0.020 . 2 . . . A 120 SER HB3 . 17900 1 1375 . 1 1 120 120 SER C C 13 177.373 0.400 . 1 . . . A 120 SER C . 17900 1 1376 . 1 1 120 120 SER CA C 13 62.549 0.400 . 1 . . . A 120 SER CA . 17900 1 1377 . 1 1 120 120 SER CB C 13 67.615 0.400 . 1 . . . A 120 SER CB . 17900 1 1378 . 1 1 120 120 SER N N 15 115.559 0.400 . 1 . . . A 120 SER N . 17900 1 1379 . 1 1 121 121 LYS H H 1 7.419 0.020 . 1 . . . A 121 LYS H . 17900 1 1380 . 1 1 121 121 LYS HA H 1 4.199 0.020 . 1 . . . A 121 LYS HA . 17900 1 1381 . 1 1 121 121 LYS HB2 H 1 2.560 0.020 . 2 . . . A 121 LYS HB2 . 17900 1 1382 . 1 1 121 121 LYS HB3 H 1 2.323 0.020 . 2 . . . A 121 LYS HB3 . 17900 1 1383 . 1 1 121 121 LYS C C 13 179.366 0.400 . 1 . . . A 121 LYS C . 17900 1 1384 . 1 1 121 121 LYS CA C 13 59.905 0.400 . 1 . . . A 121 LYS CA . 17900 1 1385 . 1 1 121 121 LYS CB C 13 32.564 0.400 . 1 . . . A 121 LYS CB . 17900 1 1386 . 1 1 121 121 LYS N N 15 121.080 0.400 . 1 . . . A 121 LYS N . 17900 1 1387 . 1 1 122 122 LEU H H 1 8.152 0.020 . 1 . . . A 122 LEU H . 17900 1 1388 . 1 1 122 122 LEU HA H 1 3.714 0.020 . 1 . . . A 122 LEU HA . 17900 1 1389 . 1 1 122 122 LEU HB2 H 1 1.726 0.020 . 2 . . . A 122 LEU HB2 . 17900 1 1390 . 1 1 122 122 LEU HB3 H 1 0.619 0.020 . 2 . . . A 122 LEU HB3 . 17900 1 1391 . 1 1 122 122 LEU HG H 1 1.438 0.020 . 1 . . . A 122 LEU HG . 17900 1 1392 . 1 1 122 122 LEU HD11 H 1 -0.227 0.020 . 1 . . . A 122 LEU HD11 . 17900 1 1393 . 1 1 122 122 LEU HD12 H 1 -0.227 0.020 . 1 . . . A 122 LEU HD12 . 17900 1 1394 . 1 1 122 122 LEU HD13 H 1 -0.227 0.020 . 1 . . . A 122 LEU HD13 . 17900 1 1395 . 1 1 122 122 LEU HD21 H 1 -0.316 0.020 . 1 . . . A 122 LEU HD21 . 17900 1 1396 . 1 1 122 122 LEU HD22 H 1 -0.316 0.020 . 1 . . . A 122 LEU HD22 . 17900 1 1397 . 1 1 122 122 LEU HD23 H 1 -0.316 0.020 . 1 . . . A 122 LEU HD23 . 17900 1 1398 . 1 1 122 122 LEU C C 13 178.487 0.400 . 1 . . . A 122 LEU C . 17900 1 1399 . 1 1 122 122 LEU CA C 13 57.583 0.400 . 1 . . . A 122 LEU CA . 17900 1 1400 . 1 1 122 122 LEU CB C 13 39.984 0.400 . 1 . . . A 122 LEU CB . 17900 1 1401 . 1 1 122 122 LEU CG C 13 25.992 0.400 . 1 . . . A 122 LEU CG . 17900 1 1402 . 1 1 122 122 LEU CD1 C 13 25.598 0.400 . 1 . . . A 122 LEU CD1 . 17900 1 1403 . 1 1 122 122 LEU CD2 C 13 21.415 0.400 . 1 . . . A 122 LEU CD2 . 17900 1 1404 . 1 1 122 122 LEU N N 15 125.251 0.400 . 1 . . . A 122 LEU N . 17900 1 1405 . 1 1 123 123 ARG H H 1 8.592 0.020 . 1 . . . A 123 ARG H . 17900 1 1406 . 1 1 123 123 ARG HA H 1 4.805 0.020 . 1 . . . A 123 ARG HA . 17900 1 1407 . 1 1 123 123 ARG HB2 H 1 1.878 0.020 . 2 . . . A 123 ARG HB2 . 17900 1 1408 . 1 1 123 123 ARG HB3 H 1 1.878 0.020 . 2 . . . A 123 ARG HB3 . 17900 1 1409 . 1 1 123 123 ARG C C 13 178.838 0.400 . 1 . . . A 123 ARG C . 17900 1 1410 . 1 1 123 123 ARG CA C 13 60.026 0.400 . 1 . . . A 123 ARG CA . 17900 1 1411 . 1 1 123 123 ARG CB C 13 30.132 0.400 . 1 . . . A 123 ARG CB . 17900 1 1412 . 1 1 123 123 ARG CG C 13 28.373 0.400 . 1 . . . A 123 ARG CG . 17900 1 1413 . 1 1 123 123 ARG CD C 13 41.618 0.400 . 1 . . . A 123 ARG CD . 17900 1 1414 . 1 1 123 123 ARG N N 15 117.150 0.400 . 1 . . . A 123 ARG N . 17900 1 1415 . 1 1 124 124 ARG H H 1 7.331 0.020 . 1 . . . A 124 ARG H . 17900 1 1416 . 1 1 124 124 ARG HA H 1 4.215 0.020 . 1 . . . A 124 ARG HA . 17900 1 1417 . 1 1 124 124 ARG HB2 H 1 2.057 0.020 . 2 . . . A 124 ARG HB2 . 17900 1 1418 . 1 1 124 124 ARG HB3 H 1 2.057 0.020 . 2 . . . A 124 ARG HB3 . 17900 1 1419 . 1 1 124 124 ARG HG2 H 1 1.841 0.020 . 2 . . . A 124 ARG HG2 . 17900 1 1420 . 1 1 124 124 ARG HG3 H 1 1.696 0.020 . 2 . . . A 124 ARG HG3 . 17900 1 1421 . 1 1 124 124 ARG HD2 H 1 3.280 0.020 . 2 . . . A 124 ARG HD2 . 17900 1 1422 . 1 1 124 124 ARG HD3 H 1 3.280 0.020 . 2 . . . A 124 ARG HD3 . 17900 1 1423 . 1 1 124 124 ARG C C 13 178.604 0.400 . 1 . . . A 124 ARG C . 17900 1 1424 . 1 1 124 124 ARG CA C 13 58.430 0.400 . 1 . . . A 124 ARG CA . 17900 1 1425 . 1 1 124 124 ARG CB C 13 29.952 0.400 . 1 . . . A 124 ARG CB . 17900 1 1426 . 1 1 124 124 ARG CG C 13 27.416 0.400 . 1 . . . A 124 ARG CG . 17900 1 1427 . 1 1 124 124 ARG CD C 13 43.384 0.400 . 1 . . . A 124 ARG CD . 17900 1 1428 . 1 1 124 124 ARG N N 15 117.003 0.400 . 1 . . . A 124 ARG N . 17900 1 1429 . 1 1 125 125 THR H H 1 8.097 0.020 . 1 . . . A 125 THR H . 17900 1 1430 . 1 1 125 125 THR HA H 1 4.150 0.020 . 1 . . . A 125 THR HA . 17900 1 1431 . 1 1 125 125 THR HB H 1 4.314 0.020 . 1 . . . A 125 THR HB . 17900 1 1432 . 1 1 125 125 THR HG21 H 1 1.395 0.020 . 1 . . . A 125 THR HG21 . 17900 1 1433 . 1 1 125 125 THR HG22 H 1 1.395 0.020 . 1 . . . A 125 THR HG22 . 17900 1 1434 . 1 1 125 125 THR HG23 H 1 1.395 0.020 . 1 . . . A 125 THR HG23 . 17900 1 1435 . 1 1 125 125 THR C C 13 176.213 0.400 . 1 . . . A 125 THR C . 17900 1 1436 . 1 1 125 125 THR CA C 13 65.507 0.400 . 1 . . . A 125 THR CA . 17900 1 1437 . 1 1 125 125 THR CB C 13 69.319 0.400 . 1 . . . A 125 THR CB . 17900 1 1438 . 1 1 125 125 THR CG2 C 13 21.712 0.400 . 1 . . . A 125 THR CG2 . 17900 1 1439 . 1 1 125 125 THR N N 15 116.162 0.400 . 1 . . . A 125 THR N . 17900 1 1440 . 1 1 126 126 CYS H H 1 8.064 0.020 . 1 . . . A 126 CYS H . 17900 1 1441 . 1 1 126 126 CYS HA H 1 4.815 0.020 . 1 . . . A 126 CYS HA . 17900 1 1442 . 1 1 126 126 CYS HB2 H 1 2.845 0.020 . 2 . . . A 126 CYS HB2 . 17900 1 1443 . 1 1 126 126 CYS HB3 H 1 2.845 0.020 . 2 . . . A 126 CYS HB3 . 17900 1 1444 . 1 1 126 126 CYS C C 13 175.850 0.400 . 1 . . . A 126 CYS C . 17900 1 1445 . 1 1 126 126 CYS CA C 13 61.044 0.400 . 1 . . . A 126 CYS CA . 17900 1 1446 . 1 1 126 126 CYS CB C 13 27.430 0.400 . 1 . . . A 126 CYS CB . 17900 1 1447 . 1 1 126 126 CYS N N 15 115.989 0.400 . 1 . . . A 126 CYS N . 17900 1 1448 . 1 1 127 127 GLY H H 1 9.514 0.020 . 1 . . . A 127 GLY H . 17900 1 1449 . 1 1 127 127 GLY HA2 H 1 4.037 0.020 . 2 . . . A 127 GLY HA2 . 17900 1 1450 . 1 1 127 127 GLY HA3 H 1 3.807 0.020 . 2 . . . A 127 GLY HA3 . 17900 1 1451 . 1 1 127 127 GLY C C 13 174.033 0.400 . 1 . . . A 127 GLY C . 17900 1 1452 . 1 1 127 127 GLY CA C 13 45.595 0.400 . 1 . . . A 127 GLY CA . 17900 1 1453 . 1 1 127 127 GLY N N 15 111.287 0.400 . 1 . . . A 127 GLY N . 17900 1 1454 . 1 1 128 128 PHE H H 1 7.948 0.020 . 1 . . . A 128 PHE H . 17900 1 1455 . 1 1 128 128 PHE HA H 1 4.633 0.020 . 1 . . . A 128 PHE HA . 17900 1 1456 . 1 1 128 128 PHE HB2 H 1 3.101 0.020 . 2 . . . A 128 PHE HB2 . 17900 1 1457 . 1 1 128 128 PHE HB3 H 1 3.101 0.020 . 2 . . . A 128 PHE HB3 . 17900 1 1458 . 1 1 128 128 PHE HD1 H 1 7.224 0.020 . 1 . . . A 128 PHE HD1 . 17900 1 1459 . 1 1 128 128 PHE HD2 H 1 7.224 0.020 . 1 . . . A 128 PHE HD2 . 17900 1 1460 . 1 1 128 128 PHE C C 13 175.850 0.400 . 1 . . . A 128 PHE C . 17900 1 1461 . 1 1 128 128 PHE CA C 13 57.985 0.400 . 1 . . . A 128 PHE CA . 17900 1 1462 . 1 1 128 128 PHE CB C 13 39.578 0.400 . 1 . . . A 128 PHE CB . 17900 1 1463 . 1 1 128 128 PHE CD1 C 13 131.892 0.400 . 1 . . . A 128 PHE CD1 . 17900 1 1464 . 1 1 128 128 PHE N N 15 120.050 0.400 . 1 . . . A 128 PHE N . 17900 1 1465 . 1 1 129 129 LEU H H 1 8.244 0.020 . 1 . . . A 129 LEU H . 17900 1 1466 . 1 1 129 129 LEU HA H 1 4.277 0.020 . 1 . . . A 129 LEU HA . 17900 1 1467 . 1 1 129 129 LEU HB2 H 1 1.545 0.020 . 2 . . . A 129 LEU HB2 . 17900 1 1468 . 1 1 129 129 LEU HB3 H 1 1.479 0.020 . 2 . . . A 129 LEU HB3 . 17900 1 1469 . 1 1 129 129 LEU HD11 H 1 0.898 0.020 . 2 . . . A 129 LEU HD11 . 17900 1 1470 . 1 1 129 129 LEU HD12 H 1 0.898 0.020 . 2 . . . A 129 LEU HD12 . 17900 1 1471 . 1 1 129 129 LEU HD13 H 1 0.898 0.020 . 2 . . . A 129 LEU HD13 . 17900 1 1472 . 1 1 129 129 LEU HD21 H 1 0.850 0.020 . 2 . . . A 129 LEU HD21 . 17900 1 1473 . 1 1 129 129 LEU HD22 H 1 0.850 0.020 . 2 . . . A 129 LEU HD22 . 17900 1 1474 . 1 1 129 129 LEU HD23 H 1 0.850 0.020 . 2 . . . A 129 LEU HD23 . 17900 1 1475 . 1 1 129 129 LEU C C 13 177.139 0.400 . 1 . . . A 129 LEU C . 17900 1 1476 . 1 1 129 129 LEU CA C 13 55.277 0.400 . 1 . . . A 129 LEU CA . 17900 1 1477 . 1 1 129 129 LEU CB C 13 42.688 0.400 . 1 . . . A 129 LEU CB . 17900 1 1478 . 1 1 129 129 LEU CG C 13 26.754 0.400 . 1 . . . A 129 LEU CG . 17900 1 1479 . 1 1 129 129 LEU CD1 C 13 25.061 0.400 . 1 . . . A 129 LEU CD1 . 17900 1 1480 . 1 1 129 129 LEU CD2 C 13 23.369 0.400 . 1 . . . A 129 LEU CD2 . 17900 1 1481 . 1 1 129 129 LEU N N 15 123.003 0.400 . 1 . . . A 129 LEU N . 17900 1 1482 . 1 1 130 130 GLU H H 1 8.254 0.020 . 1 . . . A 130 GLU H . 17900 1 1483 . 1 1 130 130 GLU HA H 1 4.142 0.020 . 1 . . . A 130 GLU HA . 17900 1 1484 . 1 1 130 130 GLU HB2 H 1 1.889 0.020 . 2 . . . A 130 GLU HB2 . 17900 1 1485 . 1 1 130 130 GLU HB3 H 1 1.889 0.020 . 2 . . . A 130 GLU HB3 . 17900 1 1486 . 1 1 130 130 GLU HG2 H 1 2.160 0.020 . 2 . . . A 130 GLU HG2 . 17900 1 1487 . 1 1 130 130 GLU HG3 H 1 2.160 0.020 . 2 . . . A 130 GLU HG3 . 17900 1 1488 . 1 1 130 130 GLU CA C 13 56.881 0.400 . 1 . . . A 130 GLU CA . 17900 1 1489 . 1 1 130 130 GLU CB C 13 30.350 0.400 . 1 . . . A 130 GLU CB . 17900 1 1490 . 1 1 130 130 GLU CG C 13 36.314 0.400 . 1 . . . A 130 GLU CG . 17900 1 1491 . 1 1 130 130 GLU N N 15 120.407 0.400 . 1 . . . A 130 GLU N . 17900 1 stop_ save_