data_16789 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16789 _Entry.Title ; Solution NMR structure of human ubiquitin specific protease Usp7 UBL domain (residues 537-664). NESG target hr4395c/ SGC-Toronto ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-25 _Entry.Accession_date 2010-03-25 _Entry.Last_release_date 2010-09-24 _Entry.Original_release_date 2010-09-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Irina Bezsonova . . . 16789 2 Alexander Lemak . . . 16789 3 George Avvakumov . . . 16789 4 Irina Bezsonova . . . 16789 5 Sirano Dhe-Paganon . . . 16789 6 Cheryl Arrowsmith . . . 16789 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16789 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 16789 ubiquitin-like . 16789 'ubiquitin specific protease' . 16789 UBL . 16789 usp7 . 16789 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16789 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 16789 '15N chemical shifts' 123 16789 '1H chemical shifts' 866 16789 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-09-24 2010-03-25 original author . 16789 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KVR 'BMRB Entry Tracking System' 16789 stop_ save_ ############### # Citations # ############### save_to_be_published _Citation.Sf_category citations _Citation.Sf_framecode to_be_published _Citation.Entry_ID 16789 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'solution structure of the ubiquitin specific protease Usp7 ubiquitin-like domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Irina Bezsonova . . . 16789 1 2 George Avvakumov . . . 16789 1 3 Sirano Dhe-Paganon . . . 16789 1 4 Cheryl Arrowsmith . . . 16789 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ubl 16789 1 usp7 16789 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16789 _Assembly.ID 1 _Assembly.Name usp7-ubl1 _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 usp7-ubl1 1 $entity A . yes native no no . . . 16789 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16789 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name usp7-ubl1 _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 ; GSPQQLVERLQEEKRIEAQK RKERQEAHLYMQVQIVAEDQ FCGHQGNDMYDEEKVKYTVF KVLKNSSLAEFVQSLSQTMG FPQDQIRLWPMQARSNGTKR PAMLDNEADGNKTMIELSDN ENPWTIFLET ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1-2 are non-native. Residues 3-130 correspond to residues 537-664 in the full length Usp7.' _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'ubiquitin-like domain (residues 537-664)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15040.011 _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 2KVR . "Solution Nmr Structure Of Human Ubiquitin Specific Protease Usp7 Ubl Domain (Residues 537-664). Nesg Target Hr4395c SGC-Toronto" . . . . . 100.00 130 100.00 100.00 3.06e-91 . . . . 16789 1 2 no PDB 2YLM . "Mechanism Of Usp7 (hausp) Activation By Its C-terminal Ubiquitin-like Domain (hubl) And Allosteric Regulation By Gmp-synthetase" . . . . . 80.77 530 100.00 100.00 1.91e-67 . . . . 16789 1 3 no PDB 4PYZ . "Crystal Structure Of The First Two Ubl Domains Of Deubiquitylase Usp7" . . . . . 100.00 273 100.00 100.00 2.93e-89 . . . . 16789 1 4 no PDB 4WPH . "Crystal Structure Of Usp7 Ubiquitin-like Domains In Compact Conformation" . . . . . 98.46 375 100.00 100.00 4.30e-86 . . . . 16789 1 5 no PDB 4YOC . "Crystal Structure Of Human Dnmt1 And Usp7/hausp Complex" . . . . . 80.77 548 100.00 100.00 1.94e-67 . . . . 16789 1 6 no PDB 5C56 . "Crystal Structure Of Usp7/hausp In Complex With Icp0" . . . . . 80.77 548 100.00 100.00 1.94e-67 . . . . 16789 1 7 no PDB 5C6D . "Crystal Structure Of Usp7 In Complex With Uhrf1" . . . . . 80.00 322 100.00 100.00 3.56e-69 . . . . 16789 1 8 no DBJ BAH13721 . "unnamed protein product [Homo sapiens]" . . . . . 98.46 799 100.00 100.00 1.17e-81 . . . . 16789 1 9 no DBJ BAH13801 . "unnamed protein product [Homo sapiens]" . . . . . 98.46 1086 100.00 100.00 2.50e-80 . . . . 16789 1 10 no DBJ BAH13841 . "unnamed protein product [Homo sapiens]" . . . . . 98.46 1003 100.00 100.00 1.05e-80 . . . . 16789 1 11 no DBJ BAH14812 . "unnamed protein product [Homo sapiens]" . . . . . 98.46 1086 100.00 100.00 2.31e-80 . . . . 16789 1 12 no EMBL CAA96580 . "herpesvirus associated ubiquitin-specific protease (HAUSP) [Homo sapiens]" . . . . . 98.46 1102 100.00 100.00 2.37e-80 . . . . 16789 1 13 no GB AAI00667 . "Usp7 protein, partial [Mus musculus]" . . . . . 98.46 887 99.22 100.00 6.50e-81 . . . . 16789 1 14 no GB AAI66012 . "Ubiquitin specific peptidase 7 [synthetic construct]" . . . . . 98.46 1103 99.22 100.00 5.99e-80 . . . . 16789 1 15 no GB AAI66690 . "Ubiquitin specific peptidase 7 (herpes virus-associated) [synthetic construct]" . . . . . 98.46 1102 100.00 100.00 2.37e-80 . . . . 16789 1 16 no GB AAQ12339 . "herpesvirus-associated ubiquitin-specific protease [Mus musculus]" . . . . . 98.46 1103 99.22 100.00 5.99e-80 . . . . 16789 1 17 no GB AAQ74887 . "UBP [Gallus gallus]" . . . . . 98.46 687 97.66 99.22 9.72e-81 . . . . 16789 1 18 no REF NP_001003918 . "ubiquitin carboxyl-terminal hydrolase 7 [Mus musculus]" . . . . . 98.46 1103 99.22 100.00 5.99e-80 . . . . 16789 1 19 no REF NP_001019961 . "ubiquitin carboxyl-terminal hydrolase 7 [Rattus norvegicus]" . . . . . 98.46 1103 98.44 100.00 2.95e-79 . . . . 16789 1 20 no REF NP_001129152 . "ubiquitin carboxyl-terminal hydrolase 7 [Sus scrofa]" . . . . . 98.46 1103 99.22 100.00 8.29e-80 . . . . 16789 1 21 no REF NP_001273386 . "ubiquitin carboxyl-terminal hydrolase 7 isoform 2 [Homo sapiens]" . . . . . 98.46 1086 100.00 100.00 2.33e-80 . . . . 16789 1 22 no REF NP_001273387 . "ubiquitin carboxyl-terminal hydrolase 7 isoform 3 [Homo sapiens]" . . . . . 98.46 1003 100.00 100.00 1.05e-80 . . . . 16789 1 23 no SP Q4VSI4 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Herpesvirus-assoc" . . . . . 98.46 1103 98.44 100.00 2.95e-79 . . . . 16789 1 24 no SP Q6A4J8 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Herpesvirus-assoc" . . . . . 98.46 1103 99.22 100.00 5.99e-80 . . . . 16789 1 25 no SP Q6U7I1 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Ubiquitin thioest" . . . . . 98.46 1101 97.66 99.22 6.96e-79 . . . . 16789 1 26 no SP Q93009 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 7; AltName: Full=Deubiquitinating enzyme 7; AltName: Full=Herpesvirus-assoc" . . . . . 98.46 1102 100.00 100.00 2.37e-80 . . . . 16789 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 16789 1 2 0 SER . 16789 1 3 1 PRO . 16789 1 4 2 GLN . 16789 1 5 3 GLN . 16789 1 6 4 LEU . 16789 1 7 5 VAL . 16789 1 8 6 GLU . 16789 1 9 7 ARG . 16789 1 10 8 LEU . 16789 1 11 9 GLN . 16789 1 12 10 GLU . 16789 1 13 11 GLU . 16789 1 14 12 LYS . 16789 1 15 13 ARG . 16789 1 16 14 ILE . 16789 1 17 15 GLU . 16789 1 18 16 ALA . 16789 1 19 17 GLN . 16789 1 20 18 LYS . 16789 1 21 19 ARG . 16789 1 22 20 LYS . 16789 1 23 21 GLU . 16789 1 24 22 ARG . 16789 1 25 23 GLN . 16789 1 26 24 GLU . 16789 1 27 25 ALA . 16789 1 28 26 HIS . 16789 1 29 27 LEU . 16789 1 30 28 TYR . 16789 1 31 29 MET . 16789 1 32 30 GLN . 16789 1 33 31 VAL . 16789 1 34 32 GLN . 16789 1 35 33 ILE . 16789 1 36 34 VAL . 16789 1 37 35 ALA . 16789 1 38 36 GLU . 16789 1 39 37 ASP . 16789 1 40 38 GLN . 16789 1 41 39 PHE . 16789 1 42 40 CYS . 16789 1 43 41 GLY . 16789 1 44 42 HIS . 16789 1 45 43 GLN . 16789 1 46 44 GLY . 16789 1 47 45 ASN . 16789 1 48 46 ASP . 16789 1 49 47 MET . 16789 1 50 48 TYR . 16789 1 51 49 ASP . 16789 1 52 50 GLU . 16789 1 53 51 GLU . 16789 1 54 52 LYS . 16789 1 55 53 VAL . 16789 1 56 54 LYS . 16789 1 57 55 TYR . 16789 1 58 56 THR . 16789 1 59 57 VAL . 16789 1 60 58 PHE . 16789 1 61 59 LYS . 16789 1 62 60 VAL . 16789 1 63 61 LEU . 16789 1 64 62 LYS . 16789 1 65 63 ASN . 16789 1 66 64 SER . 16789 1 67 65 SER . 16789 1 68 66 LEU . 16789 1 69 67 ALA . 16789 1 70 68 GLU . 16789 1 71 69 PHE . 16789 1 72 70 VAL . 16789 1 73 71 GLN . 16789 1 74 72 SER . 16789 1 75 73 LEU . 16789 1 76 74 SER . 16789 1 77 75 GLN . 16789 1 78 76 THR . 16789 1 79 77 MET . 16789 1 80 78 GLY . 16789 1 81 79 PHE . 16789 1 82 80 PRO . 16789 1 83 81 GLN . 16789 1 84 82 ASP . 16789 1 85 83 GLN . 16789 1 86 84 ILE . 16789 1 87 85 ARG . 16789 1 88 86 LEU . 16789 1 89 87 TRP . 16789 1 90 88 PRO . 16789 1 91 89 MET . 16789 1 92 90 GLN . 16789 1 93 91 ALA . 16789 1 94 92 ARG . 16789 1 95 93 SER . 16789 1 96 94 ASN . 16789 1 97 95 GLY . 16789 1 98 96 THR . 16789 1 99 97 LYS . 16789 1 100 98 ARG . 16789 1 101 99 PRO . 16789 1 102 100 ALA . 16789 1 103 101 MET . 16789 1 104 102 LEU . 16789 1 105 103 ASP . 16789 1 106 104 ASN . 16789 1 107 105 GLU . 16789 1 108 106 ALA . 16789 1 109 107 ASP . 16789 1 110 108 GLY . 16789 1 111 109 ASN . 16789 1 112 110 LYS . 16789 1 113 111 THR . 16789 1 114 112 MET . 16789 1 115 113 ILE . 16789 1 116 114 GLU . 16789 1 117 115 LEU . 16789 1 118 116 SER . 16789 1 119 117 ASP . 16789 1 120 118 ASN . 16789 1 121 119 GLU . 16789 1 122 120 ASN . 16789 1 123 121 PRO . 16789 1 124 122 TRP . 16789 1 125 123 THR . 16789 1 126 124 ILE . 16789 1 127 125 PHE . 16789 1 128 126 LEU . 16789 1 129 127 GLU . 16789 1 130 128 THR . 16789 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16789 1 . SER 2 2 16789 1 . PRO 3 3 16789 1 . GLN 4 4 16789 1 . GLN 5 5 16789 1 . LEU 6 6 16789 1 . VAL 7 7 16789 1 . GLU 8 8 16789 1 . ARG 9 9 16789 1 . LEU 10 10 16789 1 . GLN 11 11 16789 1 . GLU 12 12 16789 1 . GLU 13 13 16789 1 . LYS 14 14 16789 1 . ARG 15 15 16789 1 . ILE 16 16 16789 1 . GLU 17 17 16789 1 . ALA 18 18 16789 1 . GLN 19 19 16789 1 . LYS 20 20 16789 1 . ARG 21 21 16789 1 . LYS 22 22 16789 1 . GLU 23 23 16789 1 . ARG 24 24 16789 1 . GLN 25 25 16789 1 . GLU 26 26 16789 1 . ALA 27 27 16789 1 . HIS 28 28 16789 1 . LEU 29 29 16789 1 . TYR 30 30 16789 1 . MET 31 31 16789 1 . GLN 32 32 16789 1 . VAL 33 33 16789 1 . GLN 34 34 16789 1 . ILE 35 35 16789 1 . VAL 36 36 16789 1 . ALA 37 37 16789 1 . GLU 38 38 16789 1 . ASP 39 39 16789 1 . GLN 40 40 16789 1 . PHE 41 41 16789 1 . CYS 42 42 16789 1 . GLY 43 43 16789 1 . HIS 44 44 16789 1 . GLN 45 45 16789 1 . GLY 46 46 16789 1 . ASN 47 47 16789 1 . ASP 48 48 16789 1 . MET 49 49 16789 1 . TYR 50 50 16789 1 . ASP 51 51 16789 1 . GLU 52 52 16789 1 . GLU 53 53 16789 1 . LYS 54 54 16789 1 . VAL 55 55 16789 1 . LYS 56 56 16789 1 . TYR 57 57 16789 1 . THR 58 58 16789 1 . VAL 59 59 16789 1 . PHE 60 60 16789 1 . LYS 61 61 16789 1 . VAL 62 62 16789 1 . LEU 63 63 16789 1 . LYS 64 64 16789 1 . ASN 65 65 16789 1 . SER 66 66 16789 1 . SER 67 67 16789 1 . LEU 68 68 16789 1 . ALA 69 69 16789 1 . GLU 70 70 16789 1 . PHE 71 71 16789 1 . VAL 72 72 16789 1 . GLN 73 73 16789 1 . SER 74 74 16789 1 . LEU 75 75 16789 1 . SER 76 76 16789 1 . GLN 77 77 16789 1 . THR 78 78 16789 1 . MET 79 79 16789 1 . GLY 80 80 16789 1 . PHE 81 81 16789 1 . PRO 82 82 16789 1 . GLN 83 83 16789 1 . ASP 84 84 16789 1 . GLN 85 85 16789 1 . ILE 86 86 16789 1 . ARG 87 87 16789 1 . LEU 88 88 16789 1 . TRP 89 89 16789 1 . PRO 90 90 16789 1 . MET 91 91 16789 1 . GLN 92 92 16789 1 . ALA 93 93 16789 1 . ARG 94 94 16789 1 . SER 95 95 16789 1 . ASN 96 96 16789 1 . GLY 97 97 16789 1 . THR 98 98 16789 1 . LYS 99 99 16789 1 . ARG 100 100 16789 1 . PRO 101 101 16789 1 . ALA 102 102 16789 1 . MET 103 103 16789 1 . LEU 104 104 16789 1 . ASP 105 105 16789 1 . ASN 106 106 16789 1 . GLU 107 107 16789 1 . ALA 108 108 16789 1 . ASP 109 109 16789 1 . GLY 110 110 16789 1 . ASN 111 111 16789 1 . LYS 112 112 16789 1 . THR 113 113 16789 1 . MET 114 114 16789 1 . ILE 115 115 16789 1 . GLU 116 116 16789 1 . LEU 117 117 16789 1 . SER 118 118 16789 1 . ASP 119 119 16789 1 . ASN 120 120 16789 1 . GLU 121 121 16789 1 . ASN 122 122 16789 1 . PRO 123 123 16789 1 . TRP 124 124 16789 1 . THR 125 125 16789 1 . ILE 126 126 16789 1 . PHE 127 127 16789 1 . LEU 128 128 16789 1 . GLU 129 129 16789 1 . THR 130 130 16789 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 16789 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16789 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 16789 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 16789 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16789 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8-1.2 . . mM . . . . 16789 1 2 'sodium phosphate, pH 7.0' 'natural abundance' . . . . . . 20 . . mM . . . . 16789 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 16789 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16789 1 5 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 16789 1 6 benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 16789 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 16789 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16789 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 16789 1 pH 7.0 . pH 16789 1 pressure 1 . atm 16789 1 temperature 298 . K 16789 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16789 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' . . 16789 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16789 1 stop_ save_ save_Abacus _Software.Sf_category software _Software.Sf_framecode Abacus _Software.Entry_ID 16789 _Software.ID 2 _Software.Name ABACUS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A. Lemak' . . 16789 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16789 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16789 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Peter Guntert' . . 16789 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16789 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16789 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 16789 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16789 4 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 16789 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16789 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16789 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16789 1 2 spectrometer_2 Bruker Avance . 600 . . . 16789 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 16789 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16789 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16789 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16789 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16789 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16789 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16789 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16789 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16789 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16789 1 10 '3D aromatic 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16789 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 16789 _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 carbons' . . . . ppm 0 na indirect 0.2514 . . . . . . . . . 16789 1 H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16789 1 N 15 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.1013 . . . . . . . . . 16789 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 16789 _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' . . . 16789 1 2 '2D 1H-13C HSQC' . . . 16789 1 3 '3D HNCO' . . . 16789 1 4 '3D HNCA' . . . 16789 1 5 '3D HBHA(CO)NH' . . . 16789 1 6 '3D CBCA(CO)NH' . . . 16789 1 7 '3D HCCH-TOCSY' . . . 16789 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.385 0.04 . 1 . . . . 1 PRO HA . 16789 1 2 . 1 1 3 3 PRO HB2 H 1 2.276 0.04 . 2 . . . . 1 PRO HB2 . 16789 1 3 . 1 1 3 3 PRO HB3 H 1 1.852 0.04 . 2 . . . . 1 PRO HB3 . 16789 1 4 . 1 1 3 3 PRO HD2 H 1 3.726 0.04 . 2 . . . . 1 PRO HD2 . 16789 1 5 . 1 1 3 3 PRO HD3 H 1 3.841 0.04 . 2 . . . . 1 PRO HD3 . 16789 1 6 . 1 1 3 3 PRO HG2 H 1 2.008 0.04 . 2 . . . . 1 PRO HG2 . 16789 1 7 . 1 1 3 3 PRO HG3 H 1 2.008 0.04 . 2 . . . . 1 PRO HG3 . 16789 1 8 . 1 1 3 3 PRO C C 13 177.412 0.4 . 1 . . . . 1 PRO C . 16789 1 9 . 1 1 3 3 PRO CA C 13 63.835 0.40 . 1 . . . . 1 PRO CA . 16789 1 10 . 1 1 3 3 PRO CB C 13 31.732 0.40 . 1 . . . . 1 PRO CB . 16789 1 11 . 1 1 3 3 PRO CD C 13 50.635 0.40 . 1 . . . . 1 PRO CD . 16789 1 12 . 1 1 3 3 PRO CG C 13 27.361 0.40 . 1 . . . . 1 PRO CG . 16789 1 13 . 1 1 4 4 GLN H H 1 8.355 0.04 . 1 . . . . 2 GLN H . 16789 1 14 . 1 1 4 4 GLN HA H 1 4.141 0.04 . 1 . . . . 2 GLN HA . 16789 1 15 . 1 1 4 4 GLN HB2 H 1 2.022 0.04 . 2 . . . . 2 GLN HB2 . 16789 1 16 . 1 1 4 4 GLN HB3 H 1 2.022 0.04 . 2 . . . . 2 GLN HB3 . 16789 1 17 . 1 1 4 4 GLN HG2 H 1 2.375 0.04 . 2 . . . . 2 GLN HG2 . 16789 1 18 . 1 1 4 4 GLN HG3 H 1 2.375 0.04 . 2 . . . . 2 GLN HG3 . 16789 1 19 . 1 1 4 4 GLN C C 13 176.641 0.4 . 1 . . . . 2 GLN C . 16789 1 20 . 1 1 4 4 GLN CA C 13 56.932 0.40 . 1 . . . . 2 GLN CA . 16789 1 21 . 1 1 4 4 GLN CB C 13 28.914 0.40 . 1 . . . . 2 GLN CB . 16789 1 22 . 1 1 4 4 GLN CG C 13 33.761 0.40 . 1 . . . . 2 GLN CG . 16789 1 23 . 1 1 4 4 GLN N N 15 119.909 0.40 . 1 . . . . 2 GLN N . 16789 1 24 . 1 1 5 5 GLN H H 1 8.242 0.04 . 1 . . . . 3 GLN H . 16789 1 25 . 1 1 5 5 GLN HA H 1 4.236 0.04 . 1 . . . . 3 GLN HA . 16789 1 26 . 1 1 5 5 GLN HB2 H 1 2.050 0.04 . 2 . . . . 3 GLN HB2 . 16789 1 27 . 1 1 5 5 GLN HB3 H 1 2.050 0.04 . 2 . . . . 3 GLN HB3 . 16789 1 28 . 1 1 5 5 GLN HG2 H 1 2.375 0.04 . 2 . . . . 3 GLN HG2 . 16789 1 29 . 1 1 5 5 GLN HG3 H 1 2.089 0.04 . 2 . . . . 3 GLN HG3 . 16789 1 30 . 1 1 5 5 GLN C C 13 176.780 0.4 . 1 . . . . 3 GLN C . 16789 1 31 . 1 1 5 5 GLN CA C 13 56.711 0.40 . 1 . . . . 3 GLN CA . 16789 1 32 . 1 1 5 5 GLN CB C 13 29.140 0.40 . 1 . . . . 3 GLN CB . 16789 1 33 . 1 1 5 5 GLN CG C 13 33.979 0.40 . 1 . . . . 3 GLN CG . 16789 1 34 . 1 1 5 5 GLN N N 15 120.467 0.40 . 1 . . . . 3 GLN N . 16789 1 35 . 1 1 6 6 LEU H H 1 8.063 0.04 . 1 . . . . 4 LEU H . 16789 1 36 . 1 1 6 6 LEU HA H 1 4.245 0.04 . 1 . . . . 4 LEU HA . 16789 1 37 . 1 1 6 6 LEU HB2 H 1 1.632 0.04 . 2 . . . . 4 LEU HB2 . 16789 1 38 . 1 1 6 6 LEU HB3 H 1 1.632 0.04 . 2 . . . . 4 LEU HB3 . 16789 1 39 . 1 1 6 6 LEU HD11 H 1 0.893 0.04 . 1 . . . . 4 LEU HD1 . 16789 1 40 . 1 1 6 6 LEU HD12 H 1 0.893 0.04 . 1 . . . . 4 LEU HD1 . 16789 1 41 . 1 1 6 6 LEU HD13 H 1 0.893 0.04 . 1 . . . . 4 LEU HD1 . 16789 1 42 . 1 1 6 6 LEU HD21 H 1 0.849 0.04 . 1 . . . . 4 LEU HD2 . 16789 1 43 . 1 1 6 6 LEU HD22 H 1 0.849 0.04 . 1 . . . . 4 LEU HD2 . 16789 1 44 . 1 1 6 6 LEU HD23 H 1 0.849 0.04 . 1 . . . . 4 LEU HD2 . 16789 1 45 . 1 1 6 6 LEU HG H 1 1.582 0.04 . 1 . . . . 4 LEU HG . 16789 1 46 . 1 1 6 6 LEU C C 13 177.905 0.4 . 1 . . . . 4 LEU C . 16789 1 47 . 1 1 6 6 LEU CA C 13 56.317 0.40 . 1 . . . . 4 LEU CA . 16789 1 48 . 1 1 6 6 LEU CB C 13 41.844 0.40 . 1 . . . . 4 LEU CB . 16789 1 49 . 1 1 6 6 LEU CD1 C 13 24.451 0.40 . 1 . . . . 4 LEU CD1 . 16789 1 50 . 1 1 6 6 LEU CD2 C 13 23.840 0.40 . 1 . . . . 4 LEU CD2 . 16789 1 51 . 1 1 6 6 LEU CG C 13 26.937 0.40 . 1 . . . . 4 LEU CG . 16789 1 52 . 1 1 6 6 LEU N N 15 122.735 0.40 . 1 . . . . 4 LEU N . 16789 1 53 . 1 1 7 7 VAL H H 1 7.928 0.04 . 1 . . . . 5 VAL H . 16789 1 54 . 1 1 7 7 VAL HA H 1 3.846 0.04 . 1 . . . . 5 VAL HA . 16789 1 55 . 1 1 7 7 VAL HB H 1 2.070 0.04 . 1 . . . . 5 VAL HB . 16789 1 56 . 1 1 7 7 VAL HG11 H 1 0.940 0.04 . 1 . . . . 5 VAL HG1 . 16789 1 57 . 1 1 7 7 VAL HG12 H 1 0.940 0.04 . 1 . . . . 5 VAL HG1 . 16789 1 58 . 1 1 7 7 VAL HG13 H 1 0.940 0.04 . 1 . . . . 5 VAL HG1 . 16789 1 59 . 1 1 7 7 VAL HG21 H 1 0.922 0.04 . 1 . . . . 5 VAL HG2 . 16789 1 60 . 1 1 7 7 VAL HG22 H 1 0.922 0.04 . 1 . . . . 5 VAL HG2 . 16789 1 61 . 1 1 7 7 VAL HG23 H 1 0.922 0.04 . 1 . . . . 5 VAL HG2 . 16789 1 62 . 1 1 7 7 VAL C C 13 177.187 0.4 . 1 . . . . 5 VAL C . 16789 1 63 . 1 1 7 7 VAL CA C 13 64.061 0.40 . 1 . . . . 5 VAL CA . 16789 1 64 . 1 1 7 7 VAL CB C 13 32.078 0.40 . 1 . . . . 5 VAL CB . 16789 1 65 . 1 1 7 7 VAL CG1 C 13 21.290 0.40 . 1 . . . . 5 VAL CG1 . 16789 1 66 . 1 1 7 7 VAL CG2 C 13 20.996 0.40 . 1 . . . . 5 VAL CG2 . 16789 1 67 . 1 1 7 7 VAL N N 15 119.992 0.40 . 1 . . . . 5 VAL N . 16789 1 68 . 1 1 8 8 GLU H H 1 8.260 0.04 . 1 . . . . 6 GLU H . 16789 1 69 . 1 1 8 8 GLU HA H 1 4.156 0.04 . 1 . . . . 6 GLU HA . 16789 1 70 . 1 1 8 8 GLU HB2 H 1 2.026 0.04 . 2 . . . . 6 GLU HB2 . 16789 1 71 . 1 1 8 8 GLU HB3 H 1 2.026 0.04 . 2 . . . . 6 GLU HB3 . 16789 1 72 . 1 1 8 8 GLU HG2 H 1 2.319 0.04 . 2 . . . . 6 GLU HG2 . 16789 1 73 . 1 1 8 8 GLU HG3 H 1 2.248 0.04 . 2 . . . . 6 GLU HG3 . 16789 1 74 . 1 1 8 8 GLU C C 13 177.907 0.4 . 1 . . . . 6 GLU C . 16789 1 75 . 1 1 8 8 GLU CA C 13 58.031 0.40 . 1 . . . . 6 GLU CA . 16789 1 76 . 1 1 8 8 GLU CB C 13 29.918 0.40 . 1 . . . . 6 GLU CB . 16789 1 77 . 1 1 8 8 GLU CG C 13 36.431 0.40 . 1 . . . . 6 GLU CG . 16789 1 78 . 1 1 8 8 GLU N N 15 122.232 0.40 . 1 . . . . 6 GLU N . 16789 1 79 . 1 1 9 9 ARG H H 1 8.159 0.04 . 1 . . . . 7 ARG H . 16789 1 80 . 1 1 9 9 ARG HA H 1 4.233 0.04 . 1 . . . . 7 ARG HA . 16789 1 81 . 1 1 9 9 ARG HB2 H 1 1.922 0.04 . 2 . . . . 7 ARG HB2 . 16789 1 82 . 1 1 9 9 ARG HB3 H 1 1.922 0.04 . 2 . . . . 7 ARG HB3 . 16789 1 83 . 1 1 9 9 ARG HD2 H 1 3.209 0.04 . 2 . . . . 7 ARG HD2 . 16789 1 84 . 1 1 9 9 ARG HD3 H 1 3.209 0.04 . 2 . . . . 7 ARG HD3 . 16789 1 85 . 1 1 9 9 ARG HG2 H 1 1.642 0.04 . 2 . . . . 7 ARG HG2 . 16789 1 86 . 1 1 9 9 ARG HG3 H 1 1.642 0.04 . 2 . . . . 7 ARG HG3 . 16789 1 87 . 1 1 9 9 ARG C C 13 178.101 0.4 . 1 . . . . 7 ARG C . 16789 1 88 . 1 1 9 9 ARG CA C 13 57.701 0.40 . 1 . . . . 7 ARG CA . 16789 1 89 . 1 1 9 9 ARG CB C 13 30.249 0.40 . 1 . . . . 7 ARG CB . 16789 1 90 . 1 1 9 9 ARG CD C 13 43.349 0.40 . 1 . . . . 7 ARG CD . 16789 1 91 . 1 1 9 9 ARG CG C 13 27.142 0.40 . 1 . . . . 7 ARG CG . 16789 1 92 . 1 1 9 9 ARG N N 15 121.436 0.40 . 1 . . . . 7 ARG N . 16789 1 93 . 1 1 10 10 LEU H H 1 8.216 0.04 . 1 . . . . 8 LEU H . 16789 1 94 . 1 1 10 10 LEU HA H 1 4.212 0.04 . 1 . . . . 8 LEU HA . 16789 1 95 . 1 1 10 10 LEU HB2 H 1 1.592 0.04 . 2 . . . . 8 LEU HB2 . 16789 1 96 . 1 1 10 10 LEU HB3 H 1 1.764 0.04 . 2 . . . . 8 LEU HB3 . 16789 1 97 . 1 1 10 10 LEU HD11 H 1 0.888 0.04 . 1 . . . . 8 LEU HD1 . 16789 1 98 . 1 1 10 10 LEU HD12 H 1 0.888 0.04 . 1 . . . . 8 LEU HD1 . 16789 1 99 . 1 1 10 10 LEU HD13 H 1 0.888 0.04 . 1 . . . . 8 LEU HD1 . 16789 1 100 . 1 1 10 10 LEU HD21 H 1 0.856 0.04 . 1 . . . . 8 LEU HD2 . 16789 1 101 . 1 1 10 10 LEU HD22 H 1 0.856 0.04 . 1 . . . . 8 LEU HD2 . 16789 1 102 . 1 1 10 10 LEU HD23 H 1 0.856 0.04 . 1 . . . . 8 LEU HD2 . 16789 1 103 . 1 1 10 10 LEU HG H 1 1.580 0.04 . 1 . . . . 8 LEU HG . 16789 1 104 . 1 1 10 10 LEU C C 13 178.881 0.4 . 1 . . . . 8 LEU C . 16789 1 105 . 1 1 10 10 LEU CA C 13 56.510 0.40 . 1 . . . . 8 LEU CA . 16789 1 106 . 1 1 10 10 LEU CB C 13 41.740 0.40 . 1 . . . . 8 LEU CB . 16789 1 107 . 1 1 10 10 LEU CD1 C 13 24.887 0.40 . 1 . . . . 8 LEU CD1 . 16789 1 108 . 1 1 10 10 LEU CD2 C 13 23.240 0.40 . 1 . . . . 8 LEU CD2 . 16789 1 109 . 1 1 10 10 LEU CG C 13 26.823 0.40 . 1 . . . . 8 LEU CG . 16789 1 110 . 1 1 10 10 LEU N N 15 119.699 0.40 . 1 . . . . 8 LEU N . 16789 1 111 . 1 1 11 11 GLN H H 1 8.219 0.04 . 1 . . . . 9 GLN H . 16789 1 112 . 1 1 11 11 GLN HA H 1 4.145 0.04 . 1 . . . . 9 GLN HA . 16789 1 113 . 1 1 11 11 GLN HB2 H 1 2.134 0.04 . 2 . . . . 9 GLN HB2 . 16789 1 114 . 1 1 11 11 GLN HB3 H 1 2.134 0.04 . 2 . . . . 9 GLN HB3 . 16789 1 115 . 1 1 11 11 GLN HG2 H 1 2.475 0.04 . 2 . . . . 9 GLN HG2 . 16789 1 116 . 1 1 11 11 GLN HG3 H 1 2.422 0.04 . 2 . . . . 9 GLN HG3 . 16789 1 117 . 1 1 11 11 GLN C C 13 177.706 0.4 . 1 . . . . 9 GLN C . 16789 1 118 . 1 1 11 11 GLN CA C 13 57.636 0.40 . 1 . . . . 9 GLN CA . 16789 1 119 . 1 1 11 11 GLN CB C 13 28.616 0.40 . 1 . . . . 9 GLN CB . 16789 1 120 . 1 1 11 11 GLN CG C 13 33.868 0.40 . 1 . . . . 9 GLN CG . 16789 1 121 . 1 1 11 11 GLN N N 15 119.407 0.40 . 1 . . . . 9 GLN N . 16789 1 122 . 1 1 12 12 GLU H H 1 8.220 0.04 . 1 . . . . 10 GLU H . 16789 1 123 . 1 1 12 12 GLU N N 15 121.500 0.40 . 1 . . . . 10 GLU N . 16789 1 124 . 1 1 13 13 GLU HA H 1 4.132 0.04 . 1 . . . . 11 GLU HA . 16789 1 125 . 1 1 13 13 GLU HB2 H 1 2.183 0.04 . 2 . . . . 11 GLU HB2 . 16789 1 126 . 1 1 13 13 GLU HB3 H 1 2.183 0.04 . 2 . . . . 11 GLU HB3 . 16789 1 127 . 1 1 13 13 GLU HG2 H 1 2.451 0.04 . 2 . . . . 11 GLU HG2 . 16789 1 128 . 1 1 13 13 GLU HG3 H 1 2.407 0.04 . 2 . . . . 11 GLU HG3 . 16789 1 129 . 1 1 13 13 GLU C C 13 177.892 0.4 . 1 . . . . 11 GLU C . 16789 1 130 . 1 1 13 13 GLU CA C 13 57.833 0.40 . 1 . . . . 11 GLU CA . 16789 1 131 . 1 1 13 13 GLU CB C 13 28.279 0.40 . 1 . . . . 11 GLU CB . 16789 1 132 . 1 1 13 13 GLU CG C 13 33.489 0.40 . 1 . . . . 11 GLU CG . 16789 1 133 . 1 1 14 14 LYS H H 1 8.197 0.04 . 1 . . . . 12 LYS H . 16789 1 134 . 1 1 14 14 LYS HA H 1 4.164 0.04 . 1 . . . . 12 LYS HA . 16789 1 135 . 1 1 14 14 LYS HB2 H 1 1.895 0.04 . 2 . . . . 12 LYS HB2 . 16789 1 136 . 1 1 14 14 LYS HB3 H 1 1.895 0.04 . 2 . . . . 12 LYS HB3 . 16789 1 137 . 1 1 14 14 LYS HD2 H 1 1.671 0.04 . 2 . . . . 12 LYS HD2 . 16789 1 138 . 1 1 14 14 LYS HD3 H 1 1.671 0.04 . 2 . . . . 12 LYS HD3 . 16789 1 139 . 1 1 14 14 LYS HE2 H 1 2.971 0.04 . 2 . . . . 12 LYS HE2 . 16789 1 140 . 1 1 14 14 LYS HE3 H 1 2.971 0.04 . 2 . . . . 12 LYS HE3 . 16789 1 141 . 1 1 14 14 LYS HG2 H 1 1.459 0.04 . 2 . . . . 12 LYS HG2 . 16789 1 142 . 1 1 14 14 LYS HG3 H 1 1.584 0.04 . 2 . . . . 12 LYS HG3 . 16789 1 143 . 1 1 14 14 LYS C C 13 178.483 0.4 . 1 . . . . 12 LYS C . 16789 1 144 . 1 1 14 14 LYS CA C 13 58.084 0.40 . 1 . . . . 12 LYS CA . 16789 1 145 . 1 1 14 14 LYS CB C 13 32.249 0.40 . 1 . . . . 12 LYS CB . 16789 1 146 . 1 1 14 14 LYS CD C 13 28.943 0.40 . 1 . . . . 12 LYS CD . 16789 1 147 . 1 1 14 14 LYS CE C 13 42.022 0.40 . 1 . . . . 12 LYS CE . 16789 1 148 . 1 1 14 14 LYS CG C 13 25.001 0.40 . 1 . . . . 12 LYS CG . 16789 1 149 . 1 1 14 14 LYS N N 15 120.330 0.40 . 1 . . . . 12 LYS N . 16789 1 150 . 1 1 15 15 ARG H H 1 8.054 0.04 . 1 . . . . 13 ARG H . 16789 1 151 . 1 1 15 15 ARG HA H 1 4.167 0.04 . 1 . . . . 13 ARG HA . 16789 1 152 . 1 1 15 15 ARG HB2 H 1 1.940 0.04 . 2 . . . . 13 ARG HB2 . 16789 1 153 . 1 1 15 15 ARG HB3 H 1 1.940 0.04 . 2 . . . . 13 ARG HB3 . 16789 1 154 . 1 1 15 15 ARG HD2 H 1 3.235 0.04 . 2 . . . . 13 ARG HD2 . 16789 1 155 . 1 1 15 15 ARG HD3 H 1 3.235 0.04 . 2 . . . . 13 ARG HD3 . 16789 1 156 . 1 1 15 15 ARG HG2 H 1 1.723 0.04 . 2 . . . . 13 ARG HG2 . 16789 1 157 . 1 1 15 15 ARG HG3 H 1 1.573 0.04 . 2 . . . . 13 ARG HG3 . 16789 1 158 . 1 1 15 15 ARG CA C 13 58.554 0.40 . 1 . . . . 13 ARG CA . 16789 1 159 . 1 1 15 15 ARG CB C 13 30.111 0.40 . 1 . . . . 13 ARG CB . 16789 1 160 . 1 1 15 15 ARG CD C 13 43.152 0.40 . 1 . . . . 13 ARG CD . 16789 1 161 . 1 1 15 15 ARG CG C 13 27.332 0.40 . 1 . . . . 13 ARG CG . 16789 1 162 . 1 1 15 15 ARG N N 15 122.123 0.40 . 1 . . . . 13 ARG N . 16789 1 163 . 1 1 16 16 ILE HA H 1 3.874 0.04 . 1 . . . . 14 ILE HA . 16789 1 164 . 1 1 16 16 ILE HB H 1 1.935 0.04 . 1 . . . . 14 ILE HB . 16789 1 165 . 1 1 16 16 ILE HD11 H 1 0.854 0.04 . 1 . . . . 14 ILE HD1 . 16789 1 166 . 1 1 16 16 ILE HD12 H 1 0.854 0.04 . 1 . . . . 14 ILE HD1 . 16789 1 167 . 1 1 16 16 ILE HD13 H 1 0.854 0.04 . 1 . . . . 14 ILE HD1 . 16789 1 168 . 1 1 16 16 ILE HG12 H 1 1.622 0.04 . 2 . . . . 14 ILE HG12 . 16789 1 169 . 1 1 16 16 ILE HG13 H 1 1.622 0.04 . 2 . . . . 14 ILE HG13 . 16789 1 170 . 1 1 16 16 ILE HG21 H 1 0.933 0.04 . 1 . . . . 14 ILE HG2 . 16789 1 171 . 1 1 16 16 ILE HG22 H 1 0.933 0.04 . 1 . . . . 14 ILE HG2 . 16789 1 172 . 1 1 16 16 ILE HG23 H 1 0.933 0.04 . 1 . . . . 14 ILE HG2 . 16789 1 173 . 1 1 16 16 ILE CA C 13 63.267 0.40 . 1 . . . . 14 ILE CA . 16789 1 174 . 1 1 16 16 ILE CB C 13 37.972 0.40 . 1 . . . . 14 ILE CB . 16789 1 175 . 1 1 16 16 ILE CD1 C 13 12.754 0.40 . 1 . . . . 14 ILE CD1 . 16789 1 176 . 1 1 16 16 ILE CG1 C 13 28.410 0.40 . 1 . . . . 14 ILE CG1 . 16789 1 177 . 1 1 16 16 ILE CG2 C 13 17.210 0.40 . 1 . . . . 14 ILE CG2 . 16789 1 178 . 1 1 17 17 GLU H H 1 8.198 0.04 . 1 . . . . 15 GLU H . 16789 1 179 . 1 1 17 17 GLU HA H 1 4.237 0.04 . 1 . . . . 15 GLU HA . 16789 1 180 . 1 1 17 17 GLU HB2 H 1 2.045 0.04 . 2 . . . . 15 GLU HB2 . 16789 1 181 . 1 1 17 17 GLU HB3 H 1 1.969 0.04 . 2 . . . . 15 GLU HB3 . 16789 1 182 . 1 1 17 17 GLU HG2 H 1 2.261 0.04 . 2 . . . . 15 GLU HG2 . 16789 1 183 . 1 1 17 17 GLU HG3 H 1 2.261 0.04 . 2 . . . . 15 GLU HG3 . 16789 1 184 . 1 1 17 17 GLU C C 13 177.901 0.4 . 1 . . . . 15 GLU C . 16789 1 185 . 1 1 17 17 GLU CA C 13 56.771 0.40 . 1 . . . . 15 GLU CA . 16789 1 186 . 1 1 17 17 GLU CB C 13 30.113 0.40 . 1 . . . . 15 GLU CB . 16789 1 187 . 1 1 17 17 GLU CG C 13 36.158 0.40 . 1 . . . . 15 GLU CG . 16789 1 188 . 1 1 17 17 GLU N N 15 121.884 0.40 . 1 . . . . 15 GLU N . 16789 1 189 . 1 1 18 18 ALA H H 1 8.178 0.04 . 1 . . . . 16 ALA H . 16789 1 190 . 1 1 18 18 ALA HA H 1 4.363 0.04 . 1 . . . . 16 ALA HA . 16789 1 191 . 1 1 18 18 ALA HB1 H 1 1.472 0.04 . 1 . . . . 16 ALA HB . 16789 1 192 . 1 1 18 18 ALA HB2 H 1 1.472 0.04 . 1 . . . . 16 ALA HB . 16789 1 193 . 1 1 18 18 ALA HB3 H 1 1.472 0.04 . 1 . . . . 16 ALA HB . 16789 1 194 . 1 1 18 18 ALA C C 13 178.210 0.4 . 1 . . . . 16 ALA C . 16789 1 195 . 1 1 18 18 ALA CA C 13 53.029 0.40 . 1 . . . . 16 ALA CA . 16789 1 196 . 1 1 18 18 ALA CB C 13 19.170 0.40 . 1 . . . . 16 ALA CB . 16789 1 197 . 1 1 18 18 ALA N N 15 124.131 0.40 . 1 . . . . 16 ALA N . 16789 1 198 . 1 1 19 19 GLN H H 1 8.551 0.04 . 1 . . . . 17 GLN H . 16789 1 199 . 1 1 19 19 GLN N N 15 118.931 0.40 . 1 . . . . 17 GLN N . 16789 1 200 . 1 1 20 20 LYS HA H 1 4.136 0.04 . 1 . . . . 18 LYS HA . 16789 1 201 . 1 1 20 20 LYS HB2 H 1 1.891 0.04 . 2 . . . . 18 LYS HB2 . 16789 1 202 . 1 1 20 20 LYS HB3 H 1 1.891 0.04 . 2 . . . . 18 LYS HB3 . 16789 1 203 . 1 1 20 20 LYS HD2 H 1 1.689 0.04 . 2 . . . . 18 LYS HD2 . 16789 1 204 . 1 1 20 20 LYS HD3 H 1 1.689 0.04 . 2 . . . . 18 LYS HD3 . 16789 1 205 . 1 1 20 20 LYS HE2 H 1 2.997 0.04 . 2 . . . . 18 LYS HE2 . 16789 1 206 . 1 1 20 20 LYS HE3 H 1 2.997 0.04 . 2 . . . . 18 LYS HE3 . 16789 1 207 . 1 1 20 20 LYS HG2 H 1 1.504 0.04 . 2 . . . . 18 LYS HG2 . 16789 1 208 . 1 1 20 20 LYS HG3 H 1 1.399 0.04 . 2 . . . . 18 LYS HG3 . 16789 1 209 . 1 1 20 20 LYS C C 13 175.809 0.4 . 1 . . . . 18 LYS C . 16789 1 210 . 1 1 20 20 LYS CA C 13 58.277 0.40 . 1 . . . . 18 LYS CA . 16789 1 211 . 1 1 20 20 LYS CB C 13 32.454 0.40 . 1 . . . . 18 LYS CB . 16789 1 212 . 1 1 20 20 LYS CD C 13 29.262 0.40 . 1 . . . . 18 LYS CD . 16789 1 213 . 1 1 20 20 LYS CE C 13 42.034 0.40 . 1 . . . . 18 LYS CE . 16789 1 214 . 1 1 20 20 LYS CG C 13 24.657 0.40 . 1 . . . . 18 LYS CG . 16789 1 215 . 1 1 21 21 ARG H H 1 8.058 0.04 . 1 . . . . 19 ARG H . 16789 1 216 . 1 1 21 21 ARG HA H 1 4.104 0.04 . 1 . . . . 19 ARG HA . 16789 1 217 . 1 1 21 21 ARG HB2 H 1 1.899 0.04 . 2 . . . . 19 ARG HB2 . 16789 1 218 . 1 1 21 21 ARG HB3 H 1 1.899 0.04 . 2 . . . . 19 ARG HB3 . 16789 1 219 . 1 1 21 21 ARG HD2 H 1 3.234 0.04 . 2 . . . . 19 ARG HD2 . 16789 1 220 . 1 1 21 21 ARG HD3 H 1 3.195 0.04 . 2 . . . . 19 ARG HD3 . 16789 1 221 . 1 1 21 21 ARG HG2 H 1 1.755 0.04 . 2 . . . . 19 ARG HG2 . 16789 1 222 . 1 1 21 21 ARG HG3 H 1 1.583 0.04 . 2 . . . . 19 ARG HG3 . 16789 1 223 . 1 1 21 21 ARG C C 13 177.892 0.4 . 1 . . . . 19 ARG C . 16789 1 224 . 1 1 21 21 ARG CA C 13 58.196 0.40 . 1 . . . . 19 ARG CA . 16789 1 225 . 1 1 21 21 ARG CB C 13 30.286 0.40 . 1 . . . . 19 ARG CB . 16789 1 226 . 1 1 21 21 ARG CD C 13 43.287 0.40 . 1 . . . . 19 ARG CD . 16789 1 227 . 1 1 21 21 ARG CG C 13 27.405 0.40 . 1 . . . . 19 ARG CG . 16789 1 228 . 1 1 21 21 ARG N N 15 119.736 0.40 . 1 . . . . 19 ARG N . 16789 1 229 . 1 1 22 22 LYS H H 1 7.931 0.04 . 1 . . . . 20 LYS H . 16789 1 230 . 1 1 22 22 LYS N N 15 121.180 0.40 . 1 . . . . 20 LYS N . 16789 1 231 . 1 1 24 24 ARG HA H 1 4.339 0.04 . 1 . . . . 22 ARG HA . 16789 1 232 . 1 1 24 24 ARG HB2 H 1 1.783 0.04 . 2 . . . . 22 ARG HB2 . 16789 1 233 . 1 1 24 24 ARG HB3 H 1 1.783 0.04 . 2 . . . . 22 ARG HB3 . 16789 1 234 . 1 1 24 24 ARG HD2 H 1 3.200 0.04 . 2 . . . . 22 ARG HD2 . 16789 1 235 . 1 1 24 24 ARG HD3 H 1 3.200 0.04 . 2 . . . . 22 ARG HD3 . 16789 1 236 . 1 1 24 24 ARG HG2 H 1 1.682 0.04 . 2 . . . . 22 ARG HG2 . 16789 1 237 . 1 1 24 24 ARG HG3 H 1 1.682 0.04 . 2 . . . . 22 ARG HG3 . 16789 1 238 . 1 1 24 24 ARG C C 13 176.027 0.4 . 1 . . . . 22 ARG C . 16789 1 239 . 1 1 24 24 ARG CA C 13 56.028 0.40 . 1 . . . . 22 ARG CA . 16789 1 240 . 1 1 24 24 ARG CB C 13 30.607 0.40 . 1 . . . . 22 ARG CB . 16789 1 241 . 1 1 24 24 ARG CD C 13 43.431 0.40 . 1 . . . . 22 ARG CD . 16789 1 242 . 1 1 24 24 ARG CG C 13 26.815 0.40 . 1 . . . . 22 ARG CG . 16789 1 243 . 1 1 25 25 GLN H H 1 8.395 0.04 . 1 . . . . 23 GLN H . 16789 1 244 . 1 1 25 25 GLN HA H 1 4.323 0.04 . 1 . . . . 23 GLN HA . 16789 1 245 . 1 1 25 25 GLN HB2 H 1 1.898 0.04 . 2 . . . . 23 GLN HB2 . 16789 1 246 . 1 1 25 25 GLN HB3 H 1 1.898 0.04 . 2 . . . . 23 GLN HB3 . 16789 1 247 . 1 1 25 25 GLN HG2 H 1 2.360 0.04 . 2 . . . . 23 GLN HG2 . 16789 1 248 . 1 1 25 25 GLN HG3 H 1 2.320 0.04 . 2 . . . . 23 GLN HG3 . 16789 1 249 . 1 1 25 25 GLN CA C 13 55.505 0.40 . 1 . . . . 23 GLN CA . 16789 1 250 . 1 1 25 25 GLN CB C 13 30.035 0.40 . 1 . . . . 23 GLN CB . 16789 1 251 . 1 1 25 25 GLN CG C 13 32.930 0.40 . 1 . . . . 23 GLN CG . 16789 1 252 . 1 1 25 25 GLN N N 15 123.119 0.40 . 1 . . . . 23 GLN N . 16789 1 253 . 1 1 26 26 GLU HA H 1 4.558 0.04 . 1 . . . . 24 GLU HA . 16789 1 254 . 1 1 26 26 GLU HB2 H 1 2.185 0.04 . 2 . . . . 24 GLU HB2 . 16789 1 255 . 1 1 26 26 GLU HB3 H 1 2.058 0.04 . 2 . . . . 24 GLU HB3 . 16789 1 256 . 1 1 26 26 GLU HG2 H 1 2.439 0.04 . 2 . . . . 24 GLU HG2 . 16789 1 257 . 1 1 26 26 GLU HG3 H 1 2.439 0.04 . 2 . . . . 24 GLU HG3 . 16789 1 258 . 1 1 26 26 GLU C C 13 175.390 0.4 . 1 . . . . 24 GLU C . 16789 1 259 . 1 1 26 26 GLU CA C 13 55.525 0.40 . 1 . . . . 24 GLU CA . 16789 1 260 . 1 1 26 26 GLU CB C 13 30.203 0.40 . 1 . . . . 24 GLU CB . 16789 1 261 . 1 1 26 26 GLU CG C 13 33.788 0.40 . 1 . . . . 24 GLU CG . 16789 1 262 . 1 1 27 27 ALA H H 1 8.790 0.04 . 1 . . . . 25 ALA H . 16789 1 263 . 1 1 27 27 ALA HA H 1 4.272 0.04 . 1 . . . . 25 ALA HA . 16789 1 264 . 1 1 27 27 ALA HB1 H 1 1.383 0.04 . 1 . . . . 25 ALA HB . 16789 1 265 . 1 1 27 27 ALA HB2 H 1 1.383 0.04 . 1 . . . . 25 ALA HB . 16789 1 266 . 1 1 27 27 ALA HB3 H 1 1.383 0.04 . 1 . . . . 25 ALA HB . 16789 1 267 . 1 1 27 27 ALA C C 13 177.353 0.4 . 1 . . . . 25 ALA C . 16789 1 268 . 1 1 27 27 ALA CA C 13 52.687 0.40 . 1 . . . . 25 ALA CA . 16789 1 269 . 1 1 27 27 ALA CB C 13 19.083 0.40 . 1 . . . . 25 ALA CB . 16789 1 270 . 1 1 27 27 ALA N N 15 126.556 0.40 . 1 . . . . 25 ALA N . 16789 1 271 . 1 1 28 28 HIS HA H 1 4.617 0.04 . 1 . . . . 26 HIS HA . 16789 1 272 . 1 1 28 28 HIS HB2 H 1 3.243 0.04 . 2 . . . . 26 HIS HB2 . 16789 1 273 . 1 1 28 28 HIS HB3 H 1 3.152 0.04 . 2 . . . . 26 HIS HB3 . 16789 1 274 . 1 1 28 28 HIS HD2 H 1 7.076 0.04 . 2 . . . . 26 HIS HD2 . 16789 1 275 . 1 1 28 28 HIS HE1 H 1 7.934 0.04 . 1 . . . . 26 HIS HE1 . 16789 1 276 . 1 1 28 28 HIS C C 13 176.306 0.4 . 1 . . . . 26 HIS C . 16789 1 277 . 1 1 28 28 HIS CA C 13 57.386 0.40 . 1 . . . . 26 HIS CA . 16789 1 278 . 1 1 28 28 HIS CB C 13 29.797 0.40 . 1 . . . . 26 HIS CB . 16789 1 279 . 1 1 28 28 HIS CD2 C 13 119.269 0.40 . 1 . . . . 26 HIS CD2 . 16789 1 280 . 1 1 28 28 HIS CE1 C 13 138.839 0.40 . 1 . . . . 26 HIS CE1 . 16789 1 281 . 1 1 29 29 LEU H H 1 7.803 0.04 . 1 . . . . 27 LEU H . 16789 1 282 . 1 1 29 29 LEU HA H 1 4.100 0.04 . 1 . . . . 27 LEU HA . 16789 1 283 . 1 1 29 29 LEU HB2 H 1 1.592 0.04 . 2 . . . . 27 LEU HB2 . 16789 1 284 . 1 1 29 29 LEU HB3 H 1 1.081 0.04 . 2 . . . . 27 LEU HB3 . 16789 1 285 . 1 1 29 29 LEU HD11 H 1 0.825 0.04 . 1 . . . . 27 LEU HD1 . 16789 1 286 . 1 1 29 29 LEU HD12 H 1 0.825 0.04 . 1 . . . . 27 LEU HD1 . 16789 1 287 . 1 1 29 29 LEU HD13 H 1 0.825 0.04 . 1 . . . . 27 LEU HD1 . 16789 1 288 . 1 1 29 29 LEU HD21 H 1 0.712 0.04 . 1 . . . . 27 LEU HD2 . 16789 1 289 . 1 1 29 29 LEU HD22 H 1 0.712 0.04 . 1 . . . . 27 LEU HD2 . 16789 1 290 . 1 1 29 29 LEU HD23 H 1 0.712 0.04 . 1 . . . . 27 LEU HD2 . 16789 1 291 . 1 1 29 29 LEU HG H 1 1.169 0.04 . 1 . . . . 27 LEU HG . 16789 1 292 . 1 1 29 29 LEU C C 13 177.381 0.4 . 1 . . . . 27 LEU C . 16789 1 293 . 1 1 29 29 LEU CA C 13 55.572 0.40 . 1 . . . . 27 LEU CA . 16789 1 294 . 1 1 29 29 LEU CB C 13 42.472 0.40 . 1 . . . . 27 LEU CB . 16789 1 295 . 1 1 29 29 LEU CD1 C 13 25.126 0.40 . 1 . . . . 27 LEU CD1 . 16789 1 296 . 1 1 29 29 LEU CD2 C 13 22.178 0.40 . 1 . . . . 27 LEU CD2 . 16789 1 297 . 1 1 29 29 LEU CG C 13 26.389 0.40 . 1 . . . . 27 LEU CG . 16789 1 298 . 1 1 29 29 LEU N N 15 118.840 0.40 . 1 . . . . 27 LEU N . 16789 1 299 . 1 1 30 30 TYR H H 1 7.807 0.04 . 1 . . . . 28 TYR H . 16789 1 300 . 1 1 30 30 TYR HA H 1 5.023 0.04 . 1 . . . . 28 TYR HA . 16789 1 301 . 1 1 30 30 TYR HB2 H 1 2.882 0.04 . 2 . . . . 28 TYR HB2 . 16789 1 302 . 1 1 30 30 TYR HB3 H 1 2.804 0.04 . 2 . . . . 28 TYR HB3 . 16789 1 303 . 1 1 30 30 TYR HD1 H 1 6.942 0.04 . 2 . . . . 28 TYR HD1 . 16789 1 304 . 1 1 30 30 TYR HD2 H 1 6.942 0.04 . 2 . . . . 28 TYR HD2 . 16789 1 305 . 1 1 30 30 TYR HE1 H 1 6.771 0.04 . 2 . . . . 28 TYR HE1 . 16789 1 306 . 1 1 30 30 TYR HE2 H 1 6.771 0.04 . 2 . . . . 28 TYR HE2 . 16789 1 307 . 1 1 30 30 TYR C C 13 173.981 0.4 . 1 . . . . 28 TYR C . 16789 1 308 . 1 1 30 30 TYR CA C 13 58.032 0.40 . 1 . . . . 28 TYR CA . 16789 1 309 . 1 1 30 30 TYR CB C 13 41.898 0.40 . 1 . . . . 28 TYR CB . 16789 1 310 . 1 1 30 30 TYR CD1 C 13 133.397 0.40 . 1 . . . . 28 TYR CD1 . 16789 1 311 . 1 1 30 30 TYR CE1 C 13 118.493 0.40 . 1 . . . . 28 TYR CE1 . 16789 1 312 . 1 1 30 30 TYR N N 15 117.690 0.40 . 1 . . . . 28 TYR N . 16789 1 313 . 1 1 31 31 MET H H 1 9.500 0.04 . 1 . . . . 29 MET H . 16789 1 314 . 1 1 31 31 MET HA H 1 4.860 0.04 . 1 . . . . 29 MET HA . 16789 1 315 . 1 1 31 31 MET HB2 H 1 2.036 0.04 . 2 . . . . 29 MET HB2 . 16789 1 316 . 1 1 31 31 MET HB3 H 1 2.036 0.04 . 2 . . . . 29 MET HB3 . 16789 1 317 . 1 1 31 31 MET HE1 H 1 2.018 0.04 . 1 . . . . 29 MET HE . 16789 1 318 . 1 1 31 31 MET HE2 H 1 2.018 0.04 . 1 . . . . 29 MET HE . 16789 1 319 . 1 1 31 31 MET HE3 H 1 2.018 0.04 . 1 . . . . 29 MET HE . 16789 1 320 . 1 1 31 31 MET CA C 13 53.549 0.40 . 1 . . . . 29 MET CA . 16789 1 321 . 1 1 31 31 MET CB C 13 30.000 0.40 . 1 . . . . 29 MET CB . 16789 1 322 . 1 1 31 31 MET CE C 13 17.181 0.40 . 1 . . . . 29 MET CE . 16789 1 323 . 1 1 31 31 MET N N 15 115.703 0.40 . 1 . . . . 29 MET N . 16789 1 324 . 1 1 32 32 GLN HA H 1 5.220 0.04 . 1 . . . . 30 GLN HA . 16789 1 325 . 1 1 32 32 GLN HB2 H 1 1.978 0.04 . 2 . . . . 30 GLN HB2 . 16789 1 326 . 1 1 32 32 GLN HB3 H 1 1.860 0.04 . 2 . . . . 30 GLN HB3 . 16789 1 327 . 1 1 32 32 GLN HG2 H 1 2.371 0.04 . 2 . . . . 30 GLN HG2 . 16789 1 328 . 1 1 32 32 GLN HG3 H 1 2.064 0.04 . 2 . . . . 30 GLN HG3 . 16789 1 329 . 1 1 32 32 GLN C C 13 174.798 0.4 . 1 . . . . 30 GLN C . 16789 1 330 . 1 1 32 32 GLN CA C 13 54.717 0.40 . 1 . . . . 30 GLN CA . 16789 1 331 . 1 1 32 32 GLN CB C 13 31.471 0.40 . 1 . . . . 30 GLN CB . 16789 1 332 . 1 1 32 32 GLN CG C 13 34.996 0.40 . 1 . . . . 30 GLN CG . 16789 1 333 . 1 1 33 33 VAL H H 1 9.245 0.04 . 1 . . . . 31 VAL H . 16789 1 334 . 1 1 33 33 VAL HA H 1 4.972 0.04 . 1 . . . . 31 VAL HA . 16789 1 335 . 1 1 33 33 VAL HB H 1 1.923 0.04 . 1 . . . . 31 VAL HB . 16789 1 336 . 1 1 33 33 VAL HG11 H 1 0.762 0.04 . 1 . . . . 31 VAL HG1 . 16789 1 337 . 1 1 33 33 VAL HG12 H 1 0.762 0.04 . 1 . . . . 31 VAL HG1 . 16789 1 338 . 1 1 33 33 VAL HG13 H 1 0.762 0.04 . 1 . . . . 31 VAL HG1 . 16789 1 339 . 1 1 33 33 VAL HG21 H 1 0.656 0.04 . 1 . . . . 31 VAL HG2 . 16789 1 340 . 1 1 33 33 VAL HG22 H 1 0.656 0.04 . 1 . . . . 31 VAL HG2 . 16789 1 341 . 1 1 33 33 VAL HG23 H 1 0.656 0.04 . 1 . . . . 31 VAL HG2 . 16789 1 342 . 1 1 33 33 VAL C C 13 174.925 0.4 . 1 . . . . 31 VAL C . 16789 1 343 . 1 1 33 33 VAL CA C 13 60.595 0.40 . 1 . . . . 31 VAL CA . 16789 1 344 . 1 1 33 33 VAL CB C 13 33.900 0.40 . 1 . . . . 31 VAL CB . 16789 1 345 . 1 1 33 33 VAL CG1 C 13 22.287 0.40 . 1 . . . . 31 VAL CG1 . 16789 1 346 . 1 1 33 33 VAL CG2 C 13 21.573 0.40 . 1 . . . . 31 VAL CG2 . 16789 1 347 . 1 1 33 33 VAL N N 15 124.732 0.40 . 1 . . . . 31 VAL N . 16789 1 348 . 1 1 34 34 GLN H H 1 9.266 0.04 . 1 . . . . 32 GLN H . 16789 1 349 . 1 1 34 34 GLN HA H 1 4.885 0.04 . 1 . . . . 32 GLN HA . 16789 1 350 . 1 1 34 34 GLN HB2 H 1 1.841 0.04 . 2 . . . . 32 GLN HB2 . 16789 1 351 . 1 1 34 34 GLN HB3 H 1 1.504 0.04 . 2 . . . . 32 GLN HB3 . 16789 1 352 . 1 1 34 34 GLN HG2 H 1 2.051 0.04 . 2 . . . . 32 GLN HG2 . 16789 1 353 . 1 1 34 34 GLN HG3 H 1 1.858 0.04 . 2 . . . . 32 GLN HG3 . 16789 1 354 . 1 1 34 34 GLN C C 13 173.634 0.4 . 1 . . . . 32 GLN C . 16789 1 355 . 1 1 34 34 GLN CA C 13 53.640 0.40 . 1 . . . . 32 GLN CA . 16789 1 356 . 1 1 34 34 GLN CB C 13 29.833 0.40 . 1 . . . . 32 GLN CB . 16789 1 357 . 1 1 34 34 GLN CG C 13 34.462 0.40 . 1 . . . . 32 GLN CG . 16789 1 358 . 1 1 34 34 GLN N N 15 126.554 0.40 . 1 . . . . 32 GLN N . 16789 1 359 . 1 1 35 35 ILE H H 1 9.265 0.04 . 1 . . . . 33 ILE H . 16789 1 360 . 1 1 35 35 ILE HA H 1 5.090 0.04 . 1 . . . . 33 ILE HA . 16789 1 361 . 1 1 35 35 ILE HB H 1 2.309 0.04 . 1 . . . . 33 ILE HB . 16789 1 362 . 1 1 35 35 ILE HD11 H 1 0.702 0.04 . 1 . . . . 33 ILE HD1 . 16789 1 363 . 1 1 35 35 ILE HD12 H 1 0.702 0.04 . 1 . . . . 33 ILE HD1 . 16789 1 364 . 1 1 35 35 ILE HD13 H 1 0.702 0.04 . 1 . . . . 33 ILE HD1 . 16789 1 365 . 1 1 35 35 ILE HG12 H 1 1.647 0.04 . 2 . . . . 33 ILE HG12 . 16789 1 366 . 1 1 35 35 ILE HG13 H 1 1.519 0.04 . 2 . . . . 33 ILE HG13 . 16789 1 367 . 1 1 35 35 ILE HG21 H 1 0.844 0.04 . 1 . . . . 33 ILE HG2 . 16789 1 368 . 1 1 35 35 ILE HG22 H 1 0.844 0.04 . 1 . . . . 33 ILE HG2 . 16789 1 369 . 1 1 35 35 ILE HG23 H 1 0.844 0.04 . 1 . . . . 33 ILE HG2 . 16789 1 370 . 1 1 35 35 ILE C C 13 175.873 0.4 . 1 . . . . 33 ILE C . 16789 1 371 . 1 1 35 35 ILE CA C 13 57.428 0.40 . 1 . . . . 33 ILE CA . 16789 1 372 . 1 1 35 35 ILE CB C 13 37.410 0.40 . 1 . . . . 33 ILE CB . 16789 1 373 . 1 1 35 35 ILE CD1 C 13 10.874 0.40 . 1 . . . . 33 ILE CD1 . 16789 1 374 . 1 1 35 35 ILE CG1 C 13 26.770 0.40 . 1 . . . . 33 ILE CG1 . 16789 1 375 . 1 1 35 35 ILE CG2 C 13 18.047 0.40 . 1 . . . . 33 ILE CG2 . 16789 1 376 . 1 1 35 35 ILE N N 15 124.965 0.40 . 1 . . . . 33 ILE N . 16789 1 377 . 1 1 36 36 VAL H H 1 8.821 0.04 . 1 . . . . 34 VAL H . 16789 1 378 . 1 1 36 36 VAL HA H 1 4.445 0.04 . 1 . . . . 34 VAL HA . 16789 1 379 . 1 1 36 36 VAL HB H 1 1.818 0.04 . 1 . . . . 34 VAL HB . 16789 1 380 . 1 1 36 36 VAL HG11 H 1 0.870 0.04 . 1 . . . . 34 VAL HG1 . 16789 1 381 . 1 1 36 36 VAL HG12 H 1 0.870 0.04 . 1 . . . . 34 VAL HG1 . 16789 1 382 . 1 1 36 36 VAL HG13 H 1 0.870 0.04 . 1 . . . . 34 VAL HG1 . 16789 1 383 . 1 1 36 36 VAL HG21 H 1 0.695 0.04 . 1 . . . . 34 VAL HG2 . 16789 1 384 . 1 1 36 36 VAL HG22 H 1 0.695 0.04 . 1 . . . . 34 VAL HG2 . 16789 1 385 . 1 1 36 36 VAL HG23 H 1 0.695 0.04 . 1 . . . . 34 VAL HG2 . 16789 1 386 . 1 1 36 36 VAL C C 13 173.821 0.4 . 1 . . . . 34 VAL C . 16789 1 387 . 1 1 36 36 VAL CA C 13 60.624 0.40 . 1 . . . . 34 VAL CA . 16789 1 388 . 1 1 36 36 VAL CB C 13 33.461 0.40 . 1 . . . . 34 VAL CB . 16789 1 389 . 1 1 36 36 VAL CG1 C 13 21.292 0.40 . 1 . . . . 34 VAL CG1 . 16789 1 390 . 1 1 36 36 VAL CG2 C 13 21.195 0.40 . 1 . . . . 34 VAL CG2 . 16789 1 391 . 1 1 36 36 VAL N N 15 129.189 0.40 . 1 . . . . 34 VAL N . 16789 1 392 . 1 1 37 37 ALA H H 1 8.639 0.04 . 1 . . . . 35 ALA H . 16789 1 393 . 1 1 37 37 ALA HA H 1 4.765 0.04 . 1 . . . . 35 ALA HA . 16789 1 394 . 1 1 37 37 ALA HB1 H 1 1.376 0.04 . 1 . . . . 35 ALA HB . 16789 1 395 . 1 1 37 37 ALA HB2 H 1 1.376 0.04 . 1 . . . . 35 ALA HB . 16789 1 396 . 1 1 37 37 ALA HB3 H 1 1.376 0.04 . 1 . . . . 35 ALA HB . 16789 1 397 . 1 1 37 37 ALA C C 13 177.043 0.4 . 1 . . . . 35 ALA C . 16789 1 398 . 1 1 37 37 ALA CA C 13 50.934 0.40 . 1 . . . . 35 ALA CA . 16789 1 399 . 1 1 37 37 ALA CB C 13 20.755 0.40 . 1 . . . . 35 ALA CB . 16789 1 400 . 1 1 37 37 ALA N N 15 128.659 0.40 . 1 . . . . 35 ALA N . 16789 1 401 . 1 1 38 38 GLU H H 1 8.532 0.04 . 1 . . . . 36 GLU H . 16789 1 402 . 1 1 38 38 GLU HA H 1 4.330 0.04 . 1 . . . . 36 GLU HA . 16789 1 403 . 1 1 38 38 GLU HB2 H 1 2.116 0.04 . 2 . . . . 36 GLU HB2 . 16789 1 404 . 1 1 38 38 GLU HB3 H 1 2.023 0.04 . 2 . . . . 36 GLU HB3 . 16789 1 405 . 1 1 38 38 GLU HG2 H 1 2.340 0.04 . 2 . . . . 36 GLU HG2 . 16789 1 406 . 1 1 38 38 GLU HG3 H 1 2.264 0.04 . 2 . . . . 36 GLU HG3 . 16789 1 407 . 1 1 38 38 GLU C C 13 176.322 0.4 . 1 . . . . 36 GLU C . 16789 1 408 . 1 1 38 38 GLU CA C 13 57.063 0.40 . 1 . . . . 36 GLU CA . 16789 1 409 . 1 1 38 38 GLU CB C 13 30.760 0.40 . 1 . . . . 36 GLU CB . 16789 1 410 . 1 1 38 38 GLU CG C 13 36.309 0.40 . 1 . . . . 36 GLU CG . 16789 1 411 . 1 1 38 38 GLU N N 15 121.052 0.40 . 1 . . . . 36 GLU N . 16789 1 412 . 1 1 39 39 ASP H H 1 8.468 0.04 . 1 . . . . 37 ASP H . 16789 1 413 . 1 1 39 39 ASP HA H 1 4.511 0.04 . 1 . . . . 37 ASP HA . 16789 1 414 . 1 1 39 39 ASP HB2 H 1 2.648 0.04 . 2 . . . . 37 ASP HB2 . 16789 1 415 . 1 1 39 39 ASP HB3 H 1 2.616 0.04 . 2 . . . . 37 ASP HB3 . 16789 1 416 . 1 1 39 39 ASP C C 13 176.764 0.4 . 1 . . . . 37 ASP C . 16789 1 417 . 1 1 39 39 ASP CA C 13 54.519 0.40 . 1 . . . . 37 ASP CA . 16789 1 418 . 1 1 39 39 ASP CB C 13 40.929 0.40 . 1 . . . . 37 ASP CB . 16789 1 419 . 1 1 39 39 ASP N N 15 121.066 0.40 . 1 . . . . 37 ASP N . 16789 1 420 . 1 1 40 40 GLN H H 1 8.204 0.04 . 1 . . . . 38 GLN H . 16789 1 421 . 1 1 40 40 GLN HA H 1 4.173 0.04 . 1 . . . . 38 GLN HA . 16789 1 422 . 1 1 40 40 GLN HB2 H 1 1.917 0.04 . 2 . . . . 38 GLN HB2 . 16789 1 423 . 1 1 40 40 GLN HB3 H 1 1.842 0.04 . 2 . . . . 38 GLN HB3 . 16789 1 424 . 1 1 40 40 GLN HG2 H 1 2.080 0.04 . 2 . . . . 38 GLN HG2 . 16789 1 425 . 1 1 40 40 GLN HG3 H 1 2.010 0.04 . 2 . . . . 38 GLN HG3 . 16789 1 426 . 1 1 40 40 GLN C C 13 177.958 0.4 . 1 . . . . 38 GLN C . 16789 1 427 . 1 1 40 40 GLN CA C 13 56.263 0.40 . 1 . . . . 38 GLN CA . 16789 1 428 . 1 1 40 40 GLN CB C 13 29.026 0.40 . 1 . . . . 38 GLN CB . 16789 1 429 . 1 1 40 40 GLN CG C 13 33.473 0.40 . 1 . . . . 38 GLN CG . 16789 1 430 . 1 1 40 40 GLN N N 15 118.986 0.40 . 1 . . . . 38 GLN N . 16789 1 431 . 1 1 41 41 PHE H H 1 8.162 0.04 . 1 . . . . 39 PHE H . 16789 1 432 . 1 1 41 41 PHE HA H 1 4.562 0.04 . 1 . . . . 39 PHE HA . 16789 1 433 . 1 1 41 41 PHE HB2 H 1 2.982 0.04 . 2 . . . . 39 PHE HB2 . 16789 1 434 . 1 1 41 41 PHE HB3 H 1 3.137 0.04 . 2 . . . . 39 PHE HB3 . 16789 1 435 . 1 1 41 41 PHE HD1 H 1 7.179 0.04 . 2 . . . . 39 PHE HD1 . 16789 1 436 . 1 1 41 41 PHE HD2 H 1 7.179 0.04 . 2 . . . . 39 PHE HD2 . 16789 1 437 . 1 1 41 41 PHE HZ H 1 7.091 0.04 . 1 . . . . 39 PHE HZ . 16789 1 438 . 1 1 41 41 PHE CA C 13 57.897 0.40 . 1 . . . . 39 PHE CA . 16789 1 439 . 1 1 41 41 PHE CB C 13 39.180 0.40 . 1 . . . . 39 PHE CB . 16789 1 440 . 1 1 41 41 PHE CD1 C 13 131.665 0.40 . 1 . . . . 39 PHE CD1 . 16789 1 441 . 1 1 41 41 PHE CZ C 13 129.666 0.40 . 1 . . . . 39 PHE CZ . 16789 1 442 . 1 1 41 41 PHE N N 15 119.269 0.40 . 1 . . . . 39 PHE N . 16789 1 443 . 1 1 42 42 CYS HA H 1 4.386 0.04 . 1 . . . . 40 CYS HA . 16789 1 444 . 1 1 42 42 CYS HB2 H 1 2.831 0.04 . 2 . . . . 40 CYS HB2 . 16789 1 445 . 1 1 42 42 CYS HB3 H 1 2.831 0.04 . 2 . . . . 40 CYS HB3 . 16789 1 446 . 1 1 42 42 CYS C C 13 174.745 0.4 . 1 . . . . 40 CYS C . 16789 1 447 . 1 1 42 42 CYS CA C 13 58.544 0.40 . 1 . . . . 40 CYS CA . 16789 1 448 . 1 1 42 42 CYS CB C 13 27.824 0.40 . 1 . . . . 40 CYS CB . 16789 1 449 . 1 1 43 43 GLY H H 1 7.918 0.04 . 1 . . . . 41 GLY H . 16789 1 450 . 1 1 43 43 GLY HA2 H 1 3.806 0.04 . 2 . . . . 41 GLY HA2 . 16789 1 451 . 1 1 43 43 GLY HA3 H 1 3.759 0.04 . 2 . . . . 41 GLY HA3 . 16789 1 452 . 1 1 43 43 GLY CA C 13 45.285 0.40 . 1 . . . . 41 GLY CA . 16789 1 453 . 1 1 43 43 GLY N N 15 110.172 0.40 . 1 . . . . 41 GLY N . 16789 1 454 . 1 1 44 44 HIS H H 1 8.109 0.04 . 1 . . . . 42 HIS H . 16789 1 455 . 1 1 44 44 HIS HA H 1 4.535 0.04 . 1 . . . . 42 HIS HA . 16789 1 456 . 1 1 44 44 HIS HB2 H 1 3.066 0.04 . 2 . . . . 42 HIS HB2 . 16789 1 457 . 1 1 44 44 HIS HB3 H 1 3.030 0.04 . 2 . . . . 42 HIS HB3 . 16789 1 458 . 1 1 44 44 HIS HD2 H 1 6.955 0.04 . 2 . . . . 42 HIS HD2 . 16789 1 459 . 1 1 44 44 HIS HE1 H 1 7.997 0.04 . 1 . . . . 42 HIS HE1 . 16789 1 460 . 1 1 44 44 HIS C C 13 175.113 0.4 . 1 . . . . 42 HIS C . 16789 1 461 . 1 1 44 44 HIS CA C 13 55.984 0.40 . 1 . . . . 42 HIS CA . 16789 1 462 . 1 1 44 44 HIS CB C 13 29.772 0.40 . 1 . . . . 42 HIS CB . 16789 1 463 . 1 1 44 44 HIS CD2 C 13 119.872 0.40 . 1 . . . . 42 HIS CD2 . 16789 1 464 . 1 1 44 44 HIS CE1 C 13 137.386 0.40 . 1 . . . . 42 HIS CE1 . 16789 1 465 . 1 1 44 44 HIS N N 15 118.199 0.40 . 1 . . . . 42 HIS N . 16789 1 466 . 1 1 45 45 GLN H H 1 8.369 0.04 . 1 . . . . 43 GLN H . 16789 1 467 . 1 1 45 45 GLN HA H 1 4.251 0.04 . 1 . . . . 43 GLN HA . 16789 1 468 . 1 1 45 45 GLN HB2 H 1 2.042 0.04 . 2 . . . . 43 GLN HB2 . 16789 1 469 . 1 1 45 45 GLN HB3 H 1 1.883 0.04 . 2 . . . . 43 GLN HB3 . 16789 1 470 . 1 1 45 45 GLN HE21 H 1 6.755 0.04 . 1 . . . . 43 GLN HE21 . 16789 1 471 . 1 1 45 45 GLN HE22 H 1 7.400 0.04 . 2 . . . . 43 GLN HE22 . 16789 1 472 . 1 1 45 45 GLN HG2 H 1 2.211 0.04 . 2 . . . . 43 GLN HG2 . 16789 1 473 . 1 1 45 45 GLN HG3 H 1 2.211 0.04 . 2 . . . . 43 GLN HG3 . 16789 1 474 . 1 1 45 45 GLN C C 13 176.232 0.4 . 1 . . . . 43 GLN C . 16789 1 475 . 1 1 45 45 GLN CA C 13 55.862 0.40 . 1 . . . . 43 GLN CA . 16789 1 476 . 1 1 45 45 GLN CB C 13 29.162 0.40 . 1 . . . . 43 GLN CB . 16789 1 477 . 1 1 45 45 GLN CG C 13 33.654 0.40 . 1 . . . . 43 GLN CG . 16789 1 478 . 1 1 45 45 GLN N N 15 120.906 0.40 . 1 . . . . 43 GLN N . 16789 1 479 . 1 1 45 45 GLN NE2 N 15 112.303 0.04 . 2 . . . . 43 GLN NE2 . 16789 1 480 . 1 1 46 46 GLY H H 1 8.280 0.04 . 1 . . . . 44 GLY H . 16789 1 481 . 1 1 46 46 GLY HA2 H 1 3.929 0.04 . 2 . . . . 44 GLY HA2 . 16789 1 482 . 1 1 46 46 GLY HA3 H 1 3.865 0.04 . 2 . . . . 44 GLY HA3 . 16789 1 483 . 1 1 46 46 GLY C C 13 173.940 0.4 . 1 . . . . 44 GLY C . 16789 1 484 . 1 1 46 46 GLY CA C 13 45.339 0.40 . 1 . . . . 44 GLY CA . 16789 1 485 . 1 1 46 46 GLY N N 15 109.628 0.40 . 1 . . . . 44 GLY N . 16789 1 486 . 1 1 47 47 ASN H H 1 8.265 0.04 . 1 . . . . 45 ASN H . 16789 1 487 . 1 1 47 47 ASN HA H 1 4.693 0.04 . 1 . . . . 45 ASN HA . 16789 1 488 . 1 1 47 47 ASN HB2 H 1 2.806 0.04 . 2 . . . . 45 ASN HB2 . 16789 1 489 . 1 1 47 47 ASN HB3 H 1 2.713 0.04 . 2 . . . . 45 ASN HB3 . 16789 1 490 . 1 1 47 47 ASN HD21 H 1 6.857 0.04 . 1 . . . . 45 ASN HD21 . 16789 1 491 . 1 1 47 47 ASN HD22 H 1 7.5535 0.04 . 2 . . . . 45 ASN HD22 . 16789 1 492 . 1 1 47 47 ASN C C 13 175.085 0.4 . 1 . . . . 45 ASN C . 16789 1 493 . 1 1 47 47 ASN CA C 13 53.177 0.40 . 1 . . . . 45 ASN CA . 16789 1 494 . 1 1 47 47 ASN CB C 13 38.928 0.40 . 1 . . . . 45 ASN CB . 16789 1 495 . 1 1 47 47 ASN N N 15 118.529 0.40 . 1 . . . . 45 ASN N . 16789 1 496 . 1 1 47 47 ASN ND2 N 15 112.491 0.04 . 2 . . . . 45 ASN ND2 . 16789 1 497 . 1 1 48 48 ASP H H 1 8.351 0.04 . 1 . . . . 46 ASP H . 16789 1 498 . 1 1 48 48 ASP HA H 1 4.530 0.04 . 1 . . . . 46 ASP HA . 16789 1 499 . 1 1 48 48 ASP HB2 H 1 2.646 0.04 . 2 . . . . 46 ASP HB2 . 16789 1 500 . 1 1 48 48 ASP HB3 H 1 2.615 0.04 . 2 . . . . 46 ASP HB3 . 16789 1 501 . 1 1 48 48 ASP C C 13 176.120 0.4 . 1 . . . . 46 ASP C . 16789 1 502 . 1 1 48 48 ASP CA C 13 54.512 0.40 . 1 . . . . 46 ASP CA . 16789 1 503 . 1 1 48 48 ASP CB C 13 40.940 0.40 . 1 . . . . 46 ASP CB . 16789 1 504 . 1 1 48 48 ASP N N 15 120.101 0.40 . 1 . . . . 46 ASP N . 16789 1 505 . 1 1 49 49 MET H H 1 8.110 0.04 . 1 . . . . 47 MET H . 16789 1 506 . 1 1 49 49 MET HA H 1 4.336 0.04 . 1 . . . . 47 MET HA . 16789 1 507 . 1 1 49 49 MET HB2 H 1 1.896 0.04 . 2 . . . . 47 MET HB2 . 16789 1 508 . 1 1 49 49 MET HB3 H 1 1.852 0.04 . 2 . . . . 47 MET HB3 . 16789 1 509 . 1 1 49 49 MET HE1 H 1 1.967 0.04 . 1 . . . . 47 MET HE . 16789 1 510 . 1 1 49 49 MET HE2 H 1 1.967 0.04 . 1 . . . . 47 MET HE . 16789 1 511 . 1 1 49 49 MET HE3 H 1 1.967 0.04 . 1 . . . . 47 MET HE . 16789 1 512 . 1 1 49 49 MET HG2 H 1 2.363 0.04 . 2 . . . . 47 MET HG2 . 16789 1 513 . 1 1 49 49 MET HG3 H 1 2.328 0.04 . 2 . . . . 47 MET HG3 . 16789 1 514 . 1 1 49 49 MET C C 13 175.694 0.4 . 1 . . . . 47 MET C . 16789 1 515 . 1 1 49 49 MET CA C 13 55.624 0.40 . 1 . . . . 47 MET CA . 16789 1 516 . 1 1 49 49 MET CB C 13 32.585 0.40 . 1 . . . . 47 MET CB . 16789 1 517 . 1 1 49 49 MET CE C 13 16.816 0.40 . 1 . . . . 47 MET CE . 16789 1 518 . 1 1 49 49 MET CG C 13 31.749 0.40 . 1 . . . . 47 MET CG . 16789 1 519 . 1 1 49 49 MET N N 15 119.059 0.40 . 1 . . . . 47 MET N . 16789 1 520 . 1 1 50 50 TYR H H 1 7.960 0.04 . 1 . . . . 48 TYR H . 16789 1 521 . 1 1 50 50 TYR HA H 1 4.479 0.04 . 1 . . . . 48 TYR HA . 16789 1 522 . 1 1 50 50 TYR HB2 H 1 3.007 0.04 . 2 . . . . 48 TYR HB2 . 16789 1 523 . 1 1 50 50 TYR HB3 H 1 2.865 0.04 . 2 . . . . 48 TYR HB3 . 16789 1 524 . 1 1 50 50 TYR HD1 H 1 6.998 0.04 . 1 . . . . 48 TYR HD1 . 16789 1 525 . 1 1 50 50 TYR HE1 H 1 6.747 0.04 . 1 . . . . 48 TYR HE1 . 16789 1 526 . 1 1 50 50 TYR C C 13 175.082 0.4 . 1 . . . . 48 TYR C . 16789 1 527 . 1 1 50 50 TYR CA C 13 57.732 0.40 . 1 . . . . 48 TYR CA . 16789 1 528 . 1 1 50 50 TYR CB C 13 38.644 0.40 . 1 . . . . 48 TYR CB . 16789 1 529 . 1 1 50 50 TYR CD1 C 13 133.190 0.40 . 1 . . . . 48 TYR CD1 . 16789 1 530 . 1 1 50 50 TYR CE1 C 13 118.189 0.40 . 1 . . . . 48 TYR CE1 . 16789 1 531 . 1 1 50 50 TYR N N 15 120.303 0.40 . 1 . . . . 48 TYR N . 16789 1 532 . 1 1 51 51 ASP H H 1 8.024 0.04 . 1 . . . . 49 ASP H . 16789 1 533 . 1 1 51 51 ASP HA H 1 4.567 0.04 . 1 . . . . 49 ASP HA . 16789 1 534 . 1 1 51 51 ASP HB2 H 1 2.709 0.04 . 2 . . . . 49 ASP HB2 . 16789 1 535 . 1 1 51 51 ASP HB3 H 1 2.547 0.04 . 2 . . . . 49 ASP HB3 . 16789 1 536 . 1 1 51 51 ASP C C 13 176.447 0.4 . 1 . . . . 49 ASP C . 16789 1 537 . 1 1 51 51 ASP CA C 13 53.771 0.40 . 1 . . . . 49 ASP CA . 16789 1 538 . 1 1 51 51 ASP CB C 13 41.435 0.40 . 1 . . . . 49 ASP CB . 16789 1 539 . 1 1 51 51 ASP N N 15 122.643 0.40 . 1 . . . . 49 ASP N . 16789 1 540 . 1 1 52 52 GLU H H 1 8.522 0.04 . 1 . . . . 50 GLU H . 16789 1 541 . 1 1 52 52 GLU HA H 1 4.101 0.04 . 1 . . . . 50 GLU HA . 16789 1 542 . 1 1 52 52 GLU HB2 H 1 2.041 0.04 . 2 . . . . 50 GLU HB2 . 16789 1 543 . 1 1 52 52 GLU HB3 H 1 2.041 0.04 . 2 . . . . 50 GLU HB3 . 16789 1 544 . 1 1 52 52 GLU HG2 H 1 2.286 0.04 . 2 . . . . 50 GLU HG2 . 16789 1 545 . 1 1 52 52 GLU HG3 H 1 2.286 0.04 . 2 . . . . 50 GLU HG3 . 16789 1 546 . 1 1 52 52 GLU C C 13 176.910 0.4 . 1 . . . . 50 GLU C . 16789 1 547 . 1 1 52 52 GLU CA C 13 57.695 0.40 . 1 . . . . 50 GLU CA . 16789 1 548 . 1 1 52 52 GLU CB C 13 30.126 0.40 . 1 . . . . 50 GLU CB . 16789 1 549 . 1 1 52 52 GLU CG C 13 36.206 0.40 . 1 . . . . 50 GLU CG . 16789 1 550 . 1 1 52 52 GLU N N 15 122.844 0.40 . 1 . . . . 50 GLU N . 16789 1 551 . 1 1 53 53 GLU H H 1 8.386 0.04 . 1 . . . . 51 GLU H . 16789 1 552 . 1 1 53 53 GLU HA H 1 4.235 0.04 . 1 . . . . 51 GLU HA . 16789 1 553 . 1 1 53 53 GLU HB2 H 1 2.063 0.04 . 2 . . . . 51 GLU HB2 . 16789 1 554 . 1 1 53 53 GLU HB3 H 1 2.019 0.04 . 2 . . . . 51 GLU HB3 . 16789 1 555 . 1 1 53 53 GLU HG2 H 1 2.295 0.04 . 2 . . . . 51 GLU HG2 . 16789 1 556 . 1 1 53 53 GLU HG3 H 1 2.295 0.04 . 2 . . . . 51 GLU HG3 . 16789 1 557 . 1 1 53 53 GLU C C 13 176.953 0.4 . 1 . . . . 51 GLU C . 16789 1 558 . 1 1 53 53 GLU CA C 13 57.058 0.40 . 1 . . . . 51 GLU CA . 16789 1 559 . 1 1 53 53 GLU CB C 13 29.981 0.40 . 1 . . . . 51 GLU CB . 16789 1 560 . 1 1 53 53 GLU CG C 13 36.021 0.40 . 1 . . . . 51 GLU CG . 16789 1 561 . 1 1 53 53 GLU N N 15 118.858 0.40 . 1 . . . . 51 GLU N . 16789 1 562 . 1 1 54 54 LYS H H 1 7.924 0.04 . 1 . . . . 52 LYS H . 16789 1 563 . 1 1 54 54 LYS HA H 1 4.338 0.04 . 1 . . . . 52 LYS HA . 16789 1 564 . 1 1 54 54 LYS HB2 H 1 1.876 0.04 . 2 . . . . 52 LYS HB2 . 16789 1 565 . 1 1 54 54 LYS HB3 H 1 1.722 0.04 . 2 . . . . 52 LYS HB3 . 16789 1 566 . 1 1 54 54 LYS HD2 H 1 1.616 0.04 . 2 . . . . 52 LYS HD2 . 16789 1 567 . 1 1 54 54 LYS HD3 H 1 1.616 0.04 . 2 . . . . 52 LYS HD3 . 16789 1 568 . 1 1 54 54 LYS HE2 H 1 2.942 0.04 . 2 . . . . 52 LYS HE2 . 16789 1 569 . 1 1 54 54 LYS HE3 H 1 2.942 0.04 . 2 . . . . 52 LYS HE3 . 16789 1 570 . 1 1 54 54 LYS HG2 H 1 1.329 0.04 . 2 . . . . 52 LYS HG2 . 16789 1 571 . 1 1 54 54 LYS HG3 H 1 1.329 0.04 . 2 . . . . 52 LYS HG3 . 16789 1 572 . 1 1 54 54 LYS C C 13 176.311 0.4 . 1 . . . . 52 LYS C . 16789 1 573 . 1 1 54 54 LYS CA C 13 56.052 0.40 . 1 . . . . 52 LYS CA . 16789 1 574 . 1 1 54 54 LYS CB C 13 33.288 0.40 . 1 . . . . 52 LYS CB . 16789 1 575 . 1 1 54 54 LYS CD C 13 28.925 0.40 . 1 . . . . 52 LYS CD . 16789 1 576 . 1 1 54 54 LYS CE C 13 42.041 0.40 . 1 . . . . 52 LYS CE . 16789 1 577 . 1 1 54 54 LYS CG C 13 24.856 0.40 . 1 . . . . 52 LYS CG . 16789 1 578 . 1 1 54 54 LYS N N 15 119.535 0.40 . 1 . . . . 52 LYS N . 16789 1 579 . 1 1 55 55 VAL H H 1 7.607 0.04 . 1 . . . . 53 VAL H . 16789 1 580 . 1 1 55 55 VAL HA H 1 4.124 0.04 . 1 . . . . 53 VAL HA . 16789 1 581 . 1 1 55 55 VAL HB H 1 1.902 0.04 . 1 . . . . 53 VAL HB . 16789 1 582 . 1 1 55 55 VAL HG11 H 1 0.710 0.04 . 1 . . . . 53 VAL HG1 . 16789 1 583 . 1 1 55 55 VAL HG12 H 1 0.710 0.04 . 1 . . . . 53 VAL HG1 . 16789 1 584 . 1 1 55 55 VAL HG13 H 1 0.710 0.04 . 1 . . . . 53 VAL HG1 . 16789 1 585 . 1 1 55 55 VAL HG21 H 1 0.807 0.04 . 1 . . . . 53 VAL HG2 . 16789 1 586 . 1 1 55 55 VAL HG22 H 1 0.807 0.04 . 1 . . . . 53 VAL HG2 . 16789 1 587 . 1 1 55 55 VAL HG23 H 1 0.807 0.04 . 1 . . . . 53 VAL HG2 . 16789 1 588 . 1 1 55 55 VAL C C 13 174.938 0.4 . 1 . . . . 53 VAL C . 16789 1 589 . 1 1 55 55 VAL CA C 13 61.685 0.40 . 1 . . . . 53 VAL CA . 16789 1 590 . 1 1 55 55 VAL CB C 13 33.066 0.40 . 1 . . . . 53 VAL CB . 16789 1 591 . 1 1 55 55 VAL CG1 C 13 21.284 0.40 . 1 . . . . 53 VAL CG1 . 16789 1 592 . 1 1 55 55 VAL CG2 C 13 20.616 0.40 . 1 . . . . 53 VAL CG2 . 16789 1 593 . 1 1 55 55 VAL N N 15 118.876 0.40 . 1 . . . . 53 VAL N . 16789 1 594 . 1 1 56 56 LYS H H 1 8.333 0.04 . 1 . . . . 54 LYS H . 16789 1 595 . 1 1 56 56 LYS HA H 1 4.398 0.04 . 1 . . . . 54 LYS HA . 16789 1 596 . 1 1 56 56 LYS HB2 H 1 1.720 0.04 . 2 . . . . 54 LYS HB2 . 16789 1 597 . 1 1 56 56 LYS HB3 H 1 1.632 0.04 . 2 . . . . 54 LYS HB3 . 16789 1 598 . 1 1 56 56 LYS HD2 H 1 1.625 0.04 . 2 . . . . 54 LYS HD2 . 16789 1 599 . 1 1 56 56 LYS HD3 H 1 1.625 0.04 . 2 . . . . 54 LYS HD3 . 16789 1 600 . 1 1 56 56 LYS HE2 H 1 2.942 0.04 . 2 . . . . 54 LYS HE2 . 16789 1 601 . 1 1 56 56 LYS HE3 H 1 2.942 0.04 . 2 . . . . 54 LYS HE3 . 16789 1 602 . 1 1 56 56 LYS HG2 H 1 1.360 0.04 . 2 . . . . 54 LYS HG2 . 16789 1 603 . 1 1 56 56 LYS HG3 H 1 1.273 0.04 . 2 . . . . 54 LYS HG3 . 16789 1 604 . 1 1 56 56 LYS C C 13 175.508 0.4 . 1 . . . . 54 LYS C . 16789 1 605 . 1 1 56 56 LYS CA C 13 55.140 0.40 . 1 . . . . 54 LYS CA . 16789 1 606 . 1 1 56 56 LYS CB C 13 33.572 0.40 . 1 . . . . 54 LYS CB . 16789 1 607 . 1 1 56 56 LYS CD C 13 28.967 0.40 . 1 . . . . 54 LYS CD . 16789 1 608 . 1 1 56 56 LYS CE C 13 42.097 0.40 . 1 . . . . 54 LYS CE . 16789 1 609 . 1 1 56 56 LYS CG C 13 24.536 0.40 . 1 . . . . 54 LYS CG . 16789 1 610 . 1 1 56 56 LYS N N 15 124.801 0.40 . 1 . . . . 54 LYS N . 16789 1 611 . 1 1 57 57 TYR H H 1 8.064 0.04 . 1 . . . . 55 TYR H . 16789 1 612 . 1 1 57 57 TYR HA H 1 5.223 0.04 . 1 . . . . 55 TYR HA . 16789 1 613 . 1 1 57 57 TYR HB2 H 1 2.730 0.04 . 2 . . . . 55 TYR HB2 . 16789 1 614 . 1 1 57 57 TYR HB3 H 1 2.730 0.04 . 2 . . . . 55 TYR HB3 . 16789 1 615 . 1 1 57 57 TYR HD1 H 1 6.800 0.04 . 1 . . . . 55 TYR HD1 . 16789 1 616 . 1 1 57 57 TYR HE1 H 1 6.645 0.04 . 1 . . . . 55 TYR HE1 . 16789 1 617 . 1 1 57 57 TYR C C 13 176.184 0.4 . 1 . . . . 55 TYR C . 16789 1 618 . 1 1 57 57 TYR CA C 13 55.940 0.40 . 1 . . . . 55 TYR CA . 16789 1 619 . 1 1 57 57 TYR CB C 13 40.759 0.40 . 1 . . . . 55 TYR CB . 16789 1 620 . 1 1 57 57 TYR CD1 C 13 132.912 0.40 . 1 . . . . 55 TYR CD1 . 16789 1 621 . 1 1 57 57 TYR CE1 C 13 118.380 0.40 . 1 . . . . 55 TYR CE1 . 16789 1 622 . 1 1 57 57 TYR N N 15 120.238 0.40 . 1 . . . . 55 TYR N . 16789 1 623 . 1 1 58 58 THR H H 1 8.952 0.04 . 1 . . . . 56 THR H . 16789 1 624 . 1 1 58 58 THR HA H 1 4.441 0.04 . 1 . . . . 56 THR HA . 16789 1 625 . 1 1 58 58 THR HB H 1 3.936 0.04 . 1 . . . . 56 THR HB . 16789 1 626 . 1 1 58 58 THR HG21 H 1 0.977 0.04 . 1 . . . . 56 THR HG2 . 16789 1 627 . 1 1 58 58 THR HG22 H 1 0.977 0.04 . 1 . . . . 56 THR HG2 . 16789 1 628 . 1 1 58 58 THR HG23 H 1 0.977 0.04 . 1 . . . . 56 THR HG2 . 16789 1 629 . 1 1 58 58 THR CA C 13 62.560 0.40 . 1 . . . . 56 THR CA . 16789 1 630 . 1 1 58 58 THR CB C 13 70.049 0.40 . 1 . . . . 56 THR CB . 16789 1 631 . 1 1 58 58 THR CG2 C 13 21.939 0.40 . 1 . . . . 56 THR CG2 . 16789 1 632 . 1 1 58 58 THR N N 15 119.163 0.40 . 1 . . . . 56 THR N . 16789 1 633 . 1 1 59 59 VAL H H 1 8.635 0.04 . 1 . . . . 57 VAL H . 16789 1 634 . 1 1 59 59 VAL HA H 1 4.837 0.04 . 1 . . . . 57 VAL HA . 16789 1 635 . 1 1 59 59 VAL HB H 1 1.904 0.04 . 1 . . . . 57 VAL HB . 16789 1 636 . 1 1 59 59 VAL HG11 H 1 0.963 0.04 . 1 . . . . 57 VAL HG1 . 16789 1 637 . 1 1 59 59 VAL HG12 H 1 0.963 0.04 . 1 . . . . 57 VAL HG1 . 16789 1 638 . 1 1 59 59 VAL HG13 H 1 0.963 0.04 . 1 . . . . 57 VAL HG1 . 16789 1 639 . 1 1 59 59 VAL HG21 H 1 0.846 0.04 . 1 . . . . 57 VAL HG2 . 16789 1 640 . 1 1 59 59 VAL HG22 H 1 0.846 0.04 . 1 . . . . 57 VAL HG2 . 16789 1 641 . 1 1 59 59 VAL HG23 H 1 0.846 0.04 . 1 . . . . 57 VAL HG2 . 16789 1 642 . 1 1 59 59 VAL C C 13 175.156 0.4 . 1 . . . . 57 VAL C . 16789 1 643 . 1 1 59 59 VAL CA C 13 62.006 0.40 . 1 . . . . 57 VAL CA . 16789 1 644 . 1 1 59 59 VAL CB C 13 33.115 0.40 . 1 . . . . 57 VAL CB . 16789 1 645 . 1 1 59 59 VAL CG1 C 13 22.034 0.40 . 1 . . . . 57 VAL CG1 . 16789 1 646 . 1 1 59 59 VAL CG2 C 13 21.483 0.40 . 1 . . . . 57 VAL CG2 . 16789 1 647 . 1 1 59 59 VAL N N 15 126.850 0.40 . 1 . . . . 57 VAL N . 16789 1 648 . 1 1 60 60 PHE H H 1 9.474 0.04 . 1 . . . . 58 PHE H . 16789 1 649 . 1 1 60 60 PHE HA H 1 4.740 0.04 . 1 . . . . 58 PHE HA . 16789 1 650 . 1 1 60 60 PHE HB2 H 1 3.137 0.04 . 2 . . . . 58 PHE HB2 . 16789 1 651 . 1 1 60 60 PHE HB3 H 1 2.950 0.04 . 2 . . . . 58 PHE HB3 . 16789 1 652 . 1 1 60 60 PHE HD1 H 1 7.343 0.04 . 1 . . . . 58 PHE HD1 . 16789 1 653 . 1 1 60 60 PHE HE1 H 1 7.134 0.04 . 1 . . . . 58 PHE HE1 . 16789 1 654 . 1 1 60 60 PHE HZ H 1 7.063 0.04 . 1 . . . . 58 PHE HZ . 16789 1 655 . 1 1 60 60 PHE C C 13 174.093 0.4 . 1 . . . . 58 PHE C . 16789 1 656 . 1 1 60 60 PHE CA C 13 56.794 0.40 . 1 . . . . 58 PHE CA . 16789 1 657 . 1 1 60 60 PHE CB C 13 42.521 0.40 . 1 . . . . 58 PHE CB . 16789 1 658 . 1 1 60 60 PHE CD1 C 13 132.056 0.40 . 1 . . . . 58 PHE CD1 . 16789 1 659 . 1 1 60 60 PHE CE1 C 13 131.078 0.40 . 1 . . . . 58 PHE CE1 . 16789 1 660 . 1 1 60 60 PHE CZ C 13 129.444 0.40 . 1 . . . . 58 PHE CZ . 16789 1 661 . 1 1 60 60 PHE N N 15 126.540 0.40 . 1 . . . . 58 PHE N . 16789 1 662 . 1 1 61 61 LYS H H 1 8.843 0.04 . 1 . . . . 59 LYS H . 16789 1 663 . 1 1 61 61 LYS HA H 1 5.089 0.04 . 1 . . . . 59 LYS HA . 16789 1 664 . 1 1 61 61 LYS HB2 H 1 1.724 0.04 . 2 . . . . 59 LYS HB2 . 16789 1 665 . 1 1 61 61 LYS HB3 H 1 1.670 0.04 . 2 . . . . 59 LYS HB3 . 16789 1 666 . 1 1 61 61 LYS HD2 H 1 1.366 0.04 . 2 . . . . 59 LYS HD2 . 16789 1 667 . 1 1 61 61 LYS HD3 H 1 1.366 0.04 . 2 . . . . 59 LYS HD3 . 16789 1 668 . 1 1 61 61 LYS HE2 H 1 2.392 0.04 . 2 . . . . 59 LYS HE2 . 16789 1 669 . 1 1 61 61 LYS HE3 H 1 2.257 0.04 . 2 . . . . 59 LYS HE3 . 16789 1 670 . 1 1 61 61 LYS HG2 H 1 1.320 0.04 . 2 . . . . 59 LYS HG2 . 16789 1 671 . 1 1 61 61 LYS HG3 H 1 1.092 0.04 . 2 . . . . 59 LYS HG3 . 16789 1 672 . 1 1 61 61 LYS C C 13 176.230 0.4 . 1 . . . . 59 LYS C . 16789 1 673 . 1 1 61 61 LYS CA C 13 55.651 0.40 . 1 . . . . 59 LYS CA . 16789 1 674 . 1 1 61 61 LYS CB C 13 33.115 0.40 . 1 . . . . 59 LYS CB . 16789 1 675 . 1 1 61 61 LYS CD C 13 29.258 0.40 . 1 . . . . 59 LYS CD . 16789 1 676 . 1 1 61 61 LYS CE C 13 41.110 0.40 . 1 . . . . 59 LYS CE . 16789 1 677 . 1 1 61 61 LYS CG C 13 24.957 0.40 . 1 . . . . 59 LYS CG . 16789 1 678 . 1 1 61 61 LYS N N 15 125.434 0.40 . 1 . . . . 59 LYS N . 16789 1 679 . 1 1 62 62 VAL H H 1 8.988 0.04 . 1 . . . . 60 VAL H . 16789 1 680 . 1 1 62 62 VAL HA H 1 4.913 0.04 . 1 . . . . 60 VAL HA . 16789 1 681 . 1 1 62 62 VAL HB H 1 2.064 0.04 . 1 . . . . 60 VAL HB . 16789 1 682 . 1 1 62 62 VAL HG11 H 1 1.010 0.04 . 1 . . . . 60 VAL HG1 . 16789 1 683 . 1 1 62 62 VAL HG12 H 1 1.010 0.04 . 1 . . . . 60 VAL HG1 . 16789 1 684 . 1 1 62 62 VAL HG13 H 1 1.010 0.04 . 1 . . . . 60 VAL HG1 . 16789 1 685 . 1 1 62 62 VAL HG21 H 1 0.781 0.04 . 1 . . . . 60 VAL HG2 . 16789 1 686 . 1 1 62 62 VAL HG22 H 1 0.781 0.04 . 1 . . . . 60 VAL HG2 . 16789 1 687 . 1 1 62 62 VAL HG23 H 1 0.781 0.04 . 1 . . . . 60 VAL HG2 . 16789 1 688 . 1 1 62 62 VAL C C 13 175.378 0.4 . 1 . . . . 60 VAL C . 16789 1 689 . 1 1 62 62 VAL CA C 13 59.013 0.40 . 1 . . . . 60 VAL CA . 16789 1 690 . 1 1 62 62 VAL CB C 13 35.897 0.40 . 1 . . . . 60 VAL CB . 16789 1 691 . 1 1 62 62 VAL CG1 C 13 21.801 0.40 . 1 . . . . 60 VAL CG1 . 16789 1 692 . 1 1 62 62 VAL CG2 C 13 20.770 0.40 . 1 . . . . 60 VAL CG2 . 16789 1 693 . 1 1 62 62 VAL N N 15 122.301 0.40 . 1 . . . . 60 VAL N . 16789 1 694 . 1 1 63 63 LEU H H 1 9.183 0.04 . 1 . . . . 61 LEU H . 16789 1 695 . 1 1 63 63 LEU HA H 1 4.033 0.04 . 1 . . . . 61 LEU HA . 16789 1 696 . 1 1 63 63 LEU HB2 H 1 1.634 0.04 . 2 . . . . 61 LEU HB2 . 16789 1 697 . 1 1 63 63 LEU HB3 H 1 1.416 0.04 . 2 . . . . 61 LEU HB3 . 16789 1 698 . 1 1 63 63 LEU HD11 H 1 0.826 0.04 . 1 . . . . 61 LEU HD1 . 16789 1 699 . 1 1 63 63 LEU HD12 H 1 0.826 0.04 . 1 . . . . 61 LEU HD1 . 16789 1 700 . 1 1 63 63 LEU HD13 H 1 0.826 0.04 . 1 . . . . 61 LEU HD1 . 16789 1 701 . 1 1 63 63 LEU HD21 H 1 0.292 0.04 . 1 . . . . 61 LEU HD2 . 16789 1 702 . 1 1 63 63 LEU HD22 H 1 0.292 0.04 . 1 . . . . 61 LEU HD2 . 16789 1 703 . 1 1 63 63 LEU HD23 H 1 0.292 0.04 . 1 . . . . 61 LEU HD2 . 16789 1 704 . 1 1 63 63 LEU HG H 1 1.527 0.04 . 1 . . . . 61 LEU HG . 16789 1 705 . 1 1 63 63 LEU C C 13 179.575 0.4 . 1 . . . . 61 LEU C . 16789 1 706 . 1 1 63 63 LEU CA C 13 55.342 0.40 . 1 . . . . 61 LEU CA . 16789 1 707 . 1 1 63 63 LEU CB C 13 41.771 0.40 . 1 . . . . 61 LEU CB . 16789 1 708 . 1 1 63 63 LEU CD1 C 13 25.212 0.40 . 1 . . . . 61 LEU CD1 . 16789 1 709 . 1 1 63 63 LEU CD2 C 13 23.464 0.40 . 1 . . . . 61 LEU CD2 . 16789 1 710 . 1 1 63 63 LEU CG C 13 27.041 0.40 . 1 . . . . 61 LEU CG . 16789 1 711 . 1 1 63 63 LEU N N 15 126.588 0.40 . 1 . . . . 61 LEU N . 16789 1 712 . 1 1 64 64 LYS H H 1 8.821 0.04 . 1 . . . . 62 LYS H . 16789 1 713 . 1 1 64 64 LYS HA H 1 3.626 0.04 . 1 . . . . 62 LYS HA . 16789 1 714 . 1 1 64 64 LYS HB2 H 1 1.588 0.04 . 2 . . . . 62 LYS HB2 . 16789 1 715 . 1 1 64 64 LYS HB3 H 1 1.588 0.04 . 2 . . . . 62 LYS HB3 . 16789 1 716 . 1 1 64 64 LYS HD2 H 1 1.609 0.04 . 2 . . . . 62 LYS HD2 . 16789 1 717 . 1 1 64 64 LYS HD3 H 1 1.609 0.04 . 2 . . . . 62 LYS HD3 . 16789 1 718 . 1 1 64 64 LYS HE2 H 1 2.831 0.04 . 2 . . . . 62 LYS HE2 . 16789 1 719 . 1 1 64 64 LYS HE3 H 1 2.831 0.04 . 2 . . . . 62 LYS HE3 . 16789 1 720 . 1 1 64 64 LYS HG2 H 1 1.133 0.04 . 2 . . . . 62 LYS HG2 . 16789 1 721 . 1 1 64 64 LYS HG3 H 1 1.068 0.04 . 2 . . . . 62 LYS HG3 . 16789 1 722 . 1 1 64 64 LYS C C 13 175.659 0.4 . 1 . . . . 62 LYS C . 16789 1 723 . 1 1 64 64 LYS CA C 13 60.463 0.40 . 1 . . . . 62 LYS CA . 16789 1 724 . 1 1 64 64 LYS CB C 13 33.089 0.40 . 1 . . . . 62 LYS CB . 16789 1 725 . 1 1 64 64 LYS CD C 13 29.906 0.40 . 1 . . . . 62 LYS CD . 16789 1 726 . 1 1 64 64 LYS CE C 13 41.835 0.40 . 1 . . . . 62 LYS CE . 16789 1 727 . 1 1 64 64 LYS CG C 13 27.830 0.40 . 1 . . . . 62 LYS CG . 16789 1 728 . 1 1 64 64 LYS N N 15 125.807 0.40 . 1 . . . . 62 LYS N . 16789 1 729 . 1 1 65 65 ASN H H 1 7.655 0.04 . 1 . . . . 63 ASN H . 16789 1 730 . 1 1 65 65 ASN HA H 1 4.776 0.04 . 1 . . . . 63 ASN HA . 16789 1 731 . 1 1 65 65 ASN HB2 H 1 2.897 0.04 . 2 . . . . 63 ASN HB2 . 16789 1 732 . 1 1 65 65 ASN HB3 H 1 2.735 0.04 . 2 . . . . 63 ASN HB3 . 16789 1 733 . 1 1 65 65 ASN HD21 H 1 6.717 0.04 . 1 . . . . 63 ASN HD21 . 16789 1 734 . 1 1 65 65 ASN HD22 H 1 7.417 0.04 . 2 . . . . 63 ASN HD22 . 16789 1 735 . 1 1 65 65 ASN C C 13 175.452 0.4 . 1 . . . . 63 ASN C . 16789 1 736 . 1 1 65 65 ASN CA C 13 52.107 0.40 . 1 . . . . 63 ASN CA . 16789 1 737 . 1 1 65 65 ASN CB C 13 37.747 0.40 . 1 . . . . 63 ASN CB . 16789 1 738 . 1 1 65 65 ASN N N 15 109.690 0.40 . 1 . . . . 63 ASN N . 16789 1 739 . 1 1 65 65 ASN ND2 N 15 110.806 0.04 . 2 . . . . 63 ASN ND2 . 16789 1 740 . 1 1 66 66 SER H H 1 7.501 0.04 . 1 . . . . 64 SER H . 16789 1 741 . 1 1 66 66 SER HA H 1 4.532 0.04 . 1 . . . . 64 SER HA . 16789 1 742 . 1 1 66 66 SER HB2 H 1 4.029 0.04 . 2 . . . . 64 SER HB2 . 16789 1 743 . 1 1 66 66 SER HB3 H 1 4.110 0.04 . 2 . . . . 64 SER HB3 . 16789 1 744 . 1 1 66 66 SER C C 13 173.228 0.4 . 1 . . . . 64 SER C . 16789 1 745 . 1 1 66 66 SER CA C 13 58.401 0.40 . 1 . . . . 64 SER CA . 16789 1 746 . 1 1 66 66 SER CB C 13 64.932 0.40 . 1 . . . . 64 SER CB . 16789 1 747 . 1 1 66 66 SER N N 15 115.306 0.40 . 1 . . . . 64 SER N . 16789 1 748 . 1 1 67 67 SER H H 1 8.718 0.04 . 1 . . . . 65 SER H . 16789 1 749 . 1 1 67 67 SER HA H 1 5.092 0.04 . 1 . . . . 65 SER HA . 16789 1 750 . 1 1 67 67 SER HB2 H 1 3.956 0.04 . 2 . . . . 65 SER HB2 . 16789 1 751 . 1 1 67 67 SER HB3 H 1 3.956 0.04 . 2 . . . . 65 SER HB3 . 16789 1 752 . 1 1 67 67 SER CA C 13 57.367 0.40 . 1 . . . . 65 SER CA . 16789 1 753 . 1 1 67 67 SER CB C 13 66.425 0.40 . 1 . . . . 65 SER CB . 16789 1 754 . 1 1 67 67 SER N N 15 116.580 0.40 . 1 . . . . 65 SER N . 16789 1 755 . 1 1 68 68 LEU H H 1 8.283 0.04 . 1 . . . . 66 LEU H . 16789 1 756 . 1 1 68 68 LEU HA H 1 4.590 0.04 . 1 . . . . 66 LEU HA . 16789 1 757 . 1 1 68 68 LEU HB2 H 1 2.115 0.04 . 2 . . . . 66 LEU HB2 . 16789 1 758 . 1 1 68 68 LEU HB3 H 1 1.520 0.04 . 2 . . . . 66 LEU HB3 . 16789 1 759 . 1 1 68 68 LEU HD11 H 1 0.816 0.04 . 1 . . . . 66 LEU HD1 . 16789 1 760 . 1 1 68 68 LEU HD12 H 1 0.816 0.04 . 1 . . . . 66 LEU HD1 . 16789 1 761 . 1 1 68 68 LEU HD13 H 1 0.816 0.04 . 1 . . . . 66 LEU HD1 . 16789 1 762 . 1 1 68 68 LEU HD21 H 1 0.987 0.04 . 1 . . . . 66 LEU HD2 . 16789 1 763 . 1 1 68 68 LEU HD22 H 1 0.987 0.04 . 1 . . . . 66 LEU HD2 . 16789 1 764 . 1 1 68 68 LEU HD23 H 1 0.987 0.04 . 1 . . . . 66 LEU HD2 . 16789 1 765 . 1 1 68 68 LEU C C 13 178.770 0.4 . 1 . . . . 66 LEU C . 16789 1 766 . 1 1 68 68 LEU CA C 13 58.020 0.40 . 1 . . . . 66 LEU CA . 16789 1 767 . 1 1 68 68 LEU CB C 13 40.038 0.40 . 1 . . . . 66 LEU CB . 16789 1 768 . 1 1 68 68 LEU CD1 C 13 26.294 0.40 . 1 . . . . 66 LEU CD1 . 16789 1 769 . 1 1 68 68 LEU CD2 C 13 23.256 0.40 . 1 . . . . 66 LEU CD2 . 16789 1 770 . 1 1 68 68 LEU N N 15 123.923 0.40 . 1 . . . . 66 LEU N . 16789 1 771 . 1 1 69 69 ALA H H 1 9.676 0.04 . 1 . . . . 67 ALA H . 16789 1 772 . 1 1 69 69 ALA HA H 1 4.124 0.04 . 1 . . . . 67 ALA HA . 16789 1 773 . 1 1 69 69 ALA HB1 H 1 1.371 0.04 . 1 . . . . 67 ALA HB . 16789 1 774 . 1 1 69 69 ALA HB2 H 1 1.371 0.04 . 1 . . . . 67 ALA HB . 16789 1 775 . 1 1 69 69 ALA HB3 H 1 1.371 0.04 . 1 . . . . 67 ALA HB . 16789 1 776 . 1 1 69 69 ALA C C 13 169.558 0.4 . 1 . . . . 67 ALA C . 16789 1 777 . 1 1 69 69 ALA CA C 13 55.505 0.40 . 1 . . . . 67 ALA CA . 16789 1 778 . 1 1 69 69 ALA CB C 13 18.019 0.40 . 1 . . . . 67 ALA CB . 16789 1 779 . 1 1 69 69 ALA N N 15 121.755 0.40 . 1 . . . . 67 ALA N . 16789 1 780 . 1 1 70 70 GLU H H 1 7.857 0.04 . 1 . . . . 68 GLU H . 16789 1 781 . 1 1 70 70 GLU HA H 1 4.001 0.04 . 1 . . . . 68 GLU HA . 16789 1 782 . 1 1 70 70 GLU HB2 H 1 2.173 0.04 . 2 . . . . 68 GLU HB2 . 16789 1 783 . 1 1 70 70 GLU HB3 H 1 2.399 0.04 . 2 . . . . 68 GLU HB3 . 16789 1 784 . 1 1 70 70 GLU HG2 H 1 2.346 0.04 . 2 . . . . 68 GLU HG2 . 16789 1 785 . 1 1 70 70 GLU HG3 H 1 2.346 0.04 . 2 . . . . 68 GLU HG3 . 16789 1 786 . 1 1 70 70 GLU C C 13 179.062 0.4 . 1 . . . . 68 GLU C . 16789 1 787 . 1 1 70 70 GLU CA C 13 59.192 0.40 . 1 . . . . 68 GLU CA . 16789 1 788 . 1 1 70 70 GLU CB C 13 29.803 0.40 . 1 . . . . 68 GLU CB . 16789 1 789 . 1 1 70 70 GLU CG C 13 37.558 0.40 . 1 . . . . 68 GLU CG . 16789 1 790 . 1 1 70 70 GLU N N 15 118.006 0.40 . 1 . . . . 68 GLU N . 16789 1 791 . 1 1 71 71 PHE H H 1 8.069 0.04 . 1 . . . . 69 PHE H . 16789 1 792 . 1 1 71 71 PHE HA H 1 4.374 0.04 . 1 . . . . 69 PHE HA . 16789 1 793 . 1 1 71 71 PHE HB2 H 1 3.694 0.04 . 2 . . . . 69 PHE HB2 . 16789 1 794 . 1 1 71 71 PHE HB3 H 1 3.301 0.04 . 2 . . . . 69 PHE HB3 . 16789 1 795 . 1 1 71 71 PHE HD1 H 1 7.022 0.04 . 1 . . . . 69 PHE HD1 . 16789 1 796 . 1 1 71 71 PHE HE1 H 1 7.008 0.04 . 1 . . . . 69 PHE HE1 . 16789 1 797 . 1 1 71 71 PHE HZ H 1 7.282 0.04 . 1 . . . . 69 PHE HZ . 16789 1 798 . 1 1 71 71 PHE C C 13 177.441 0.4 . 1 . . . . 69 PHE C . 16789 1 799 . 1 1 71 71 PHE CA C 13 61.150 0.40 . 1 . . . . 69 PHE CA . 16789 1 800 . 1 1 71 71 PHE CB C 13 39.081 0.40 . 1 . . . . 69 PHE CB . 16789 1 801 . 1 1 71 71 PHE CD1 C 13 131.514 0.40 . 1 . . . . 69 PHE CD1 . 16789 1 802 . 1 1 71 71 PHE CE1 C 13 131.066 0.40 . 1 . . . . 69 PHE CE1 . 16789 1 803 . 1 1 71 71 PHE CZ C 13 130.035 0.40 . 1 . . . . 69 PHE CZ . 16789 1 804 . 1 1 71 71 PHE N N 15 123.519 0.40 . 1 . . . . 69 PHE N . 16789 1 805 . 1 1 72 72 VAL H H 1 9.133 0.04 . 1 . . . . 70 VAL H . 16789 1 806 . 1 1 72 72 VAL HA H 1 3.097 0.04 . 1 . . . . 70 VAL HA . 16789 1 807 . 1 1 72 72 VAL HB H 1 2.082 0.04 . 1 . . . . 70 VAL HB . 16789 1 808 . 1 1 72 72 VAL HG11 H 1 0.895 0.04 . 1 . . . . 70 VAL HG1 . 16789 1 809 . 1 1 72 72 VAL HG12 H 1 0.895 0.04 . 1 . . . . 70 VAL HG1 . 16789 1 810 . 1 1 72 72 VAL HG13 H 1 0.895 0.04 . 1 . . . . 70 VAL HG1 . 16789 1 811 . 1 1 72 72 VAL HG21 H 1 0.932 0.04 . 1 . . . . 70 VAL HG2 . 16789 1 812 . 1 1 72 72 VAL HG22 H 1 0.932 0.04 . 1 . . . . 70 VAL HG2 . 16789 1 813 . 1 1 72 72 VAL HG23 H 1 0.932 0.04 . 1 . . . . 70 VAL HG2 . 16789 1 814 . 1 1 72 72 VAL C C 13 178.132 0.4 . 1 . . . . 70 VAL C . 16789 1 815 . 1 1 72 72 VAL CA C 13 67.246 0.40 . 1 . . . . 70 VAL CA . 16789 1 816 . 1 1 72 72 VAL CB C 13 31.272 0.40 . 1 . . . . 70 VAL CB . 16789 1 817 . 1 1 72 72 VAL CG1 C 13 21.565 0.40 . 1 . . . . 70 VAL CG1 . 16789 1 818 . 1 1 72 72 VAL CG2 C 13 23.307 0.40 . 1 . . . . 70 VAL CG2 . 16789 1 819 . 1 1 72 72 VAL N N 15 120.101 0.40 . 1 . . . . 70 VAL N . 16789 1 820 . 1 1 73 73 GLN H H 1 7.715 0.04 . 1 . . . . 71 GLN H . 16789 1 821 . 1 1 73 73 GLN HA H 1 3.889 0.04 . 1 . . . . 71 GLN HA . 16789 1 822 . 1 1 73 73 GLN HB2 H 1 2.169 0.04 . 2 . . . . 71 GLN HB2 . 16789 1 823 . 1 1 73 73 GLN HB3 H 1 2.169 0.04 . 2 . . . . 71 GLN HB3 . 16789 1 824 . 1 1 73 73 GLN HE21 H 1 6.811 0.04 . 1 . . . . 71 GLN HE21 . 16789 1 825 . 1 1 73 73 GLN HE22 H 1 7.459 0.04 . 2 . . . . 71 GLN HE22 . 16789 1 826 . 1 1 73 73 GLN HG2 H 1 2.430 0.04 . 2 . . . . 71 GLN HG2 . 16789 1 827 . 1 1 73 73 GLN HG3 H 1 2.357 0.04 . 2 . . . . 71 GLN HG3 . 16789 1 828 . 1 1 73 73 GLN C C 13 178.347 0.4 . 1 . . . . 71 GLN C . 16789 1 829 . 1 1 73 73 GLN CA C 13 59.489 0.40 . 1 . . . . 71 GLN CA . 16789 1 830 . 1 1 73 73 GLN CB C 13 28.004 0.40 . 1 . . . . 71 GLN CB . 16789 1 831 . 1 1 73 73 GLN CG C 13 33.709 0.40 . 1 . . . . 71 GLN CG . 16789 1 832 . 1 1 73 73 GLN N N 15 118.877 0.40 . 1 . . . . 71 GLN N . 16789 1 833 . 1 1 73 73 GLN NE2 N 15 111.425 0.04 . 2 . . . . 71 GLN NE2 . 16789 1 834 . 1 1 74 74 SER H H 1 7.857 0.04 . 1 . . . . 72 SER H . 16789 1 835 . 1 1 74 74 SER HA H 1 4.249 0.04 . 1 . . . . 72 SER HA . 16789 1 836 . 1 1 74 74 SER HB2 H 1 4.002 0.04 . 2 . . . . 72 SER HB2 . 16789 1 837 . 1 1 74 74 SER HB3 H 1 3.933 0.04 . 2 . . . . 72 SER HB3 . 16789 1 838 . 1 1 74 74 SER C C 13 177.487 0.4 . 1 . . . . 72 SER C . 16789 1 839 . 1 1 74 74 SER CA C 13 61.530 0.40 . 1 . . . . 72 SER CA . 16789 1 840 . 1 1 74 74 SER CB C 13 62.635 0.40 . 1 . . . . 72 SER CB . 16789 1 841 . 1 1 74 74 SER N N 15 116.448 0.40 . 1 . . . . 72 SER N . 16789 1 842 . 1 1 75 75 LEU H H 1 8.578 0.04 . 1 . . . . 73 LEU H . 16789 1 843 . 1 1 75 75 LEU HA H 1 3.639 0.04 . 1 . . . . 73 LEU HA . 16789 1 844 . 1 1 75 75 LEU HB2 H 1 1.103 0.04 . 2 . . . . 73 LEU HB2 . 16789 1 845 . 1 1 75 75 LEU HB3 H 1 1.057 0.04 . 2 . . . . 73 LEU HB3 . 16789 1 846 . 1 1 75 75 LEU HD11 H 1 0.397 0.04 . 1 . . . . 73 LEU HD1 . 16789 1 847 . 1 1 75 75 LEU HD12 H 1 0.397 0.04 . 1 . . . . 73 LEU HD1 . 16789 1 848 . 1 1 75 75 LEU HD13 H 1 0.397 0.04 . 1 . . . . 73 LEU HD1 . 16789 1 849 . 1 1 75 75 LEU HD21 H 1 0.338 0.04 . 1 . . . . 73 LEU HD2 . 16789 1 850 . 1 1 75 75 LEU HD22 H 1 0.338 0.04 . 1 . . . . 73 LEU HD2 . 16789 1 851 . 1 1 75 75 LEU HD23 H 1 0.338 0.04 . 1 . . . . 73 LEU HD2 . 16789 1 852 . 1 1 75 75 LEU HG H 1 0.939 0.04 . 1 . . . . 73 LEU HG . 16789 1 853 . 1 1 75 75 LEU C C 13 178.866 0.4 . 1 . . . . 73 LEU C . 16789 1 854 . 1 1 75 75 LEU CA C 13 58.060 0.40 . 1 . . . . 73 LEU CA . 16789 1 855 . 1 1 75 75 LEU CB C 13 41.748 0.40 . 1 . . . . 73 LEU CB . 16789 1 856 . 1 1 75 75 LEU CD1 C 13 26.402 0.40 . 1 . . . . 73 LEU CD1 . 16789 1 857 . 1 1 75 75 LEU CD2 C 13 24.678 0.40 . 1 . . . . 73 LEU CD2 . 16789 1 858 . 1 1 75 75 LEU CG C 13 26.115 0.40 . 1 . . . . 73 LEU CG . 16789 1 859 . 1 1 75 75 LEU N N 15 124.528 0.40 . 1 . . . . 73 LEU N . 16789 1 860 . 1 1 76 76 SER H H 1 8.217 0.04 . 1 . . . . 74 SER H . 16789 1 861 . 1 1 76 76 SER HA H 1 4.211 0.04 . 1 . . . . 74 SER HA . 16789 1 862 . 1 1 76 76 SER HB2 H 1 4.005 0.04 . 2 . . . . 74 SER HB2 . 16789 1 863 . 1 1 76 76 SER HB3 H 1 3.951 0.04 . 2 . . . . 74 SER HB3 . 16789 1 864 . 1 1 76 76 SER C C 13 177.832 0.4 . 1 . . . . 74 SER C . 16789 1 865 . 1 1 76 76 SER CA C 13 61.264 0.40 . 1 . . . . 74 SER CA . 16789 1 866 . 1 1 76 76 SER CB C 13 63.366 0.40 . 1 . . . . 74 SER CB . 16789 1 867 . 1 1 76 76 SER N N 15 113.868 0.40 . 1 . . . . 74 SER N . 16789 1 868 . 1 1 77 77 GLN H H 1 7.948 0.04 . 1 . . . . 75 GLN H . 16789 1 869 . 1 1 77 77 GLN HA H 1 4.067 0.04 . 1 . . . . 75 GLN HA . 16789 1 870 . 1 1 77 77 GLN HB2 H 1 2.171 0.04 . 2 . . . . 75 GLN HB2 . 16789 1 871 . 1 1 77 77 GLN HB3 H 1 2.226 0.04 . 2 . . . . 75 GLN HB3 . 16789 1 872 . 1 1 77 77 GLN HE21 H 1 6.830 0.04 . 1 . . . . 75 GLN HE21 . 16789 1 873 . 1 1 77 77 GLN HE22 H 1 7.459 0.04 . 2 . . . . 75 GLN HE22 . 16789 1 874 . 1 1 77 77 GLN HG2 H 1 2.537 0.04 . 2 . . . . 75 GLN HG2 . 16789 1 875 . 1 1 77 77 GLN HG3 H 1 2.442 0.04 . 2 . . . . 75 GLN HG3 . 16789 1 876 . 1 1 77 77 GLN C C 13 176.382 0.4 . 1 . . . . 75 GLN C . 16789 1 877 . 1 1 77 77 GLN CA C 13 58.291 0.40 . 1 . . . . 75 GLN CA . 16789 1 878 . 1 1 77 77 GLN CB C 13 28.688 0.40 . 1 . . . . 75 GLN CB . 16789 1 879 . 1 1 77 77 GLN CG C 13 33.897 0.40 . 1 . . . . 75 GLN CG . 16789 1 880 . 1 1 77 77 GLN N N 15 118.456 0.40 . 1 . . . . 75 GLN N . 16789 1 881 . 1 1 77 77 GLN NE2 N 15 111.571 0.04 . 2 . . . . 75 GLN NE2 . 16789 1 882 . 1 1 78 78 THR H H 1 8.298 0.04 . 1 . . . . 76 THR H . 16789 1 883 . 1 1 78 78 THR HA H 1 4.086 0.04 . 1 . . . . 76 THR HA . 16789 1 884 . 1 1 78 78 THR HB H 1 4.206 0.04 . 1 . . . . 76 THR HB . 16789 1 885 . 1 1 78 78 THR HG21 H 1 1.329 0.04 . 1 . . . . 76 THR HG2 . 16789 1 886 . 1 1 78 78 THR HG22 H 1 1.329 0.04 . 1 . . . . 76 THR HG2 . 16789 1 887 . 1 1 78 78 THR HG23 H 1 1.329 0.04 . 1 . . . . 76 THR HG2 . 16789 1 888 . 1 1 78 78 THR C C 13 176.032 0.4 . 1 . . . . 76 THR C . 16789 1 889 . 1 1 78 78 THR CA C 13 65.864 0.40 . 1 . . . . 76 THR CA . 16789 1 890 . 1 1 78 78 THR CB C 13 69.456 0.40 . 1 . . . . 76 THR CB . 16789 1 891 . 1 1 78 78 THR CG2 C 13 21.268 0.40 . 1 . . . . 76 THR CG2 . 16789 1 892 . 1 1 78 78 THR N N 15 114.049 0.40 . 1 . . . . 76 THR N . 16789 1 893 . 1 1 79 79 MET H H 1 8.534 0.04 . 1 . . . . 77 MET H . 16789 1 894 . 1 1 79 79 MET HA H 1 4.379 0.04 . 1 . . . . 77 MET HA . 16789 1 895 . 1 1 79 79 MET HB2 H 1 1.957 0.04 . 2 . . . . 77 MET HB2 . 16789 1 896 . 1 1 79 79 MET HB3 H 1 1.774 0.04 . 2 . . . . 77 MET HB3 . 16789 1 897 . 1 1 79 79 MET HE1 H 1 2.074 0.04 . 1 . . . . 77 MET HE . 16789 1 898 . 1 1 79 79 MET HE2 H 1 2.074 0.04 . 1 . . . . 77 MET HE . 16789 1 899 . 1 1 79 79 MET HE3 H 1 2.074 0.04 . 1 . . . . 77 MET HE . 16789 1 900 . 1 1 79 79 MET HG2 H 1 2.571 0.04 . 2 . . . . 77 MET HG2 . 16789 1 901 . 1 1 79 79 MET HG3 H 1 2.571 0.04 . 2 . . . . 77 MET HG3 . 16789 1 902 . 1 1 79 79 MET C C 13 176.647 0.4 . 1 . . . . 77 MET C . 16789 1 903 . 1 1 79 79 MET CA C 13 56.178 0.40 . 1 . . . . 77 MET CA . 16789 1 904 . 1 1 79 79 MET CB C 13 33.404 0.40 . 1 . . . . 77 MET CB . 16789 1 905 . 1 1 79 79 MET CE C 13 17.124 0.40 . 1 . . . . 77 MET CE . 16789 1 906 . 1 1 79 79 MET CG C 13 33.422 0.40 . 1 . . . . 77 MET CG . 16789 1 907 . 1 1 79 79 MET N N 15 116.520 0.40 . 1 . . . . 77 MET N . 16789 1 908 . 1 1 80 80 GLY H H 1 7.537 0.04 . 1 . . . . 78 GLY H . 16789 1 909 . 1 1 80 80 GLY HA2 H 1 3.857 0.04 . 2 . . . . 78 GLY HA2 . 16789 1 910 . 1 1 80 80 GLY HA3 H 1 3.771 0.04 . 2 . . . . 78 GLY HA3 . 16789 1 911 . 1 1 80 80 GLY C C 13 174.137 0.4 . 1 . . . . 78 GLY C . 16789 1 912 . 1 1 80 80 GLY CA C 13 46.294 0.40 . 1 . . . . 78 GLY CA . 16789 1 913 . 1 1 80 80 GLY N N 15 106.682 0.40 . 1 . . . . 78 GLY N . 16789 1 914 . 1 1 81 81 PHE H H 1 6.918 0.04 . 1 . . . . 79 PHE H . 16789 1 915 . 1 1 81 81 PHE HA H 1 5.074 0.04 . 1 . . . . 79 PHE HA . 16789 1 916 . 1 1 81 81 PHE HB2 H 1 3.007 0.04 . 2 . . . . 79 PHE HB2 . 16789 1 917 . 1 1 81 81 PHE HB3 H 1 2.417 0.04 . 2 . . . . 79 PHE HB3 . 16789 1 918 . 1 1 81 81 PHE HD1 H 1 7.007 0.04 . 2 . . . . 79 PHE HD1 . 16789 1 919 . 1 1 81 81 PHE HD2 H 1 7.007 0.04 . 2 . . . . 79 PHE HD2 . 16789 1 920 . 1 1 81 81 PHE HZ H 1 7.288 0.04 . 1 . . . . 79 PHE HZ . 16789 1 921 . 1 1 81 81 PHE CA C 13 53.776 0.40 . 1 . . . . 79 PHE CA . 16789 1 922 . 1 1 81 81 PHE CB C 13 40.659 0.40 . 1 . . . . 79 PHE CB . 16789 1 923 . 1 1 81 81 PHE CD1 C 13 131.129 0.40 . 1 . . . . 79 PHE CD1 . 16789 1 924 . 1 1 81 81 PHE CZ C 13 131.840 0.40 . 1 . . . . 79 PHE CZ . 16789 1 925 . 1 1 81 81 PHE N N 15 117.698 0.40 . 1 . . . . 79 PHE N . 16789 1 926 . 1 1 82 82 PRO HA H 1 4.419 0.04 . 1 . . . . 80 PRO HA . 16789 1 927 . 1 1 82 82 PRO HB2 H 1 2.408 0.04 . 2 . . . . 80 PRO HB2 . 16789 1 928 . 1 1 82 82 PRO HB3 H 1 1.934 0.04 . 2 . . . . 80 PRO HB3 . 16789 1 929 . 1 1 82 82 PRO HD2 H 1 3.559 0.04 . 2 . . . . 80 PRO HD2 . 16789 1 930 . 1 1 82 82 PRO HD3 H 1 3.973 0.04 . 2 . . . . 80 PRO HD3 . 16789 1 931 . 1 1 82 82 PRO HG2 H 1 2.070 0.04 . 2 . . . . 80 PRO HG2 . 16789 1 932 . 1 1 82 82 PRO HG3 H 1 2.024 0.04 . 2 . . . . 80 PRO HG3 . 16789 1 933 . 1 1 82 82 PRO C C 13 178.071 0.4 . 1 . . . . 80 PRO C . 16789 1 934 . 1 1 82 82 PRO CA C 13 62.562 0.40 . 1 . . . . 80 PRO CA . 16789 1 935 . 1 1 82 82 PRO CB C 13 32.256 0.40 . 1 . . . . 80 PRO CB . 16789 1 936 . 1 1 82 82 PRO CD C 13 50.695 0.40 . 1 . . . . 80 PRO CD . 16789 1 937 . 1 1 82 82 PRO CG C 13 27.763 0.40 . 1 . . . . 80 PRO CG . 16789 1 938 . 1 1 83 83 GLN H H 1 8.872 0.04 . 1 . . . . 81 GLN H . 16789 1 939 . 1 1 83 83 GLN HA H 1 3.745 0.04 . 1 . . . . 81 GLN HA . 16789 1 940 . 1 1 83 83 GLN HB2 H 1 2.053 0.04 . 2 . . . . 81 GLN HB2 . 16789 1 941 . 1 1 83 83 GLN HB3 H 1 2.053 0.04 . 2 . . . . 81 GLN HB3 . 16789 1 942 . 1 1 83 83 GLN HE21 H 1 6.889 0.04 . 1 . . . . 81 GLN HE21 . 16789 1 943 . 1 1 83 83 GLN HE22 H 1 7.576 0.04 . 2 . . . . 81 GLN HE22 . 16789 1 944 . 1 1 83 83 GLN HG2 H 1 2.407 0.04 . 2 . . . . 81 GLN HG2 . 16789 1 945 . 1 1 83 83 GLN HG3 H 1 2.287 0.04 . 2 . . . . 81 GLN HG3 . 16789 1 946 . 1 1 83 83 GLN C C 13 177.167 0.4 . 1 . . . . 81 GLN C . 16789 1 947 . 1 1 83 83 GLN CA C 13 59.764 0.40 . 1 . . . . 81 GLN CA . 16789 1 948 . 1 1 83 83 GLN CB C 13 28.574 0.40 . 1 . . . . 81 GLN CB . 16789 1 949 . 1 1 83 83 GLN CG C 13 34.095 0.40 . 1 . . . . 81 GLN CG . 16789 1 950 . 1 1 83 83 GLN N N 15 122.188 0.40 . 1 . . . . 81 GLN N . 16789 1 951 . 1 1 83 83 GLN NE2 N 15 111.416 0.04 . 2 . . . . 81 GLN NE2 . 16789 1 952 . 1 1 84 84 ASP H H 1 8.428 0.04 . 1 . . . . 82 ASP H . 16789 1 953 . 1 1 84 84 ASP HA H 1 4.406 0.04 . 1 . . . . 82 ASP HA . 16789 1 954 . 1 1 84 84 ASP HB2 H 1 2.768 0.04 . 2 . . . . 82 ASP HB2 . 16789 1 955 . 1 1 84 84 ASP HB3 H 1 2.632 0.04 . 2 . . . . 82 ASP HB3 . 16789 1 956 . 1 1 84 84 ASP C C 13 176.584 0.4 . 1 . . . . 82 ASP C . 16789 1 957 . 1 1 84 84 ASP CA C 13 54.721 0.40 . 1 . . . . 82 ASP CA . 16789 1 958 . 1 1 84 84 ASP CB C 13 39.639 0.40 . 1 . . . . 82 ASP CB . 16789 1 959 . 1 1 84 84 ASP N N 15 114.049 0.40 . 1 . . . . 82 ASP N . 16789 1 960 . 1 1 85 85 GLN H H 1 7.707 0.04 . 1 . . . . 83 GLN H . 16789 1 961 . 1 1 85 85 GLN HA H 1 4.314 0.04 . 1 . . . . 83 GLN HA . 16789 1 962 . 1 1 85 85 GLN HB2 H 1 2.369 0.04 . 2 . . . . 83 GLN HB2 . 16789 1 963 . 1 1 85 85 GLN HB3 H 1 1.807 0.04 . 2 . . . . 83 GLN HB3 . 16789 1 964 . 1 1 85 85 GLN HE21 H 1 6.755 0.04 . 1 . . . . 83 GLN HE21 . 16789 1 965 . 1 1 85 85 GLN HE22 H 1 7.708 0.04 . 2 . . . . 83 GLN HE22 . 16789 1 966 . 1 1 85 85 GLN HG2 H 1 2.358 0.04 . 2 . . . . 83 GLN HG2 . 16789 1 967 . 1 1 85 85 GLN HG3 H 1 2.358 0.04 . 2 . . . . 83 GLN HG3 . 16789 1 968 . 1 1 85 85 GLN C C 13 175.118 0.4 . 1 . . . . 83 GLN C . 16789 1 969 . 1 1 85 85 GLN CA C 13 54.858 0.40 . 1 . . . . 83 GLN CA . 16789 1 970 . 1 1 85 85 GLN CB C 13 29.962 0.40 . 1 . . . . 83 GLN CB . 16789 1 971 . 1 1 85 85 GLN CG C 13 33.871 0.40 . 1 . . . . 83 GLN CG . 16789 1 972 . 1 1 85 85 GLN N N 15 117.271 0.40 . 1 . . . . 83 GLN N . 16789 1 973 . 1 1 85 85 GLN NE2 N 15 112.248 0.04 . 2 . . . . 83 GLN NE2 . 16789 1 974 . 1 1 86 86 ILE H H 1 6.937 0.04 . 1 . . . . 84 ILE H . 16789 1 975 . 1 1 86 86 ILE HA H 1 3.766 0.04 . 1 . . . . 84 ILE HA . 16789 1 976 . 1 1 86 86 ILE HB H 1 1.834 0.04 . 1 . . . . 84 ILE HB . 16789 1 977 . 1 1 86 86 ILE HD11 H 1 0.690 0.04 . 1 . . . . 84 ILE HD1 . 16789 1 978 . 1 1 86 86 ILE HD12 H 1 0.690 0.04 . 1 . . . . 84 ILE HD1 . 16789 1 979 . 1 1 86 86 ILE HD13 H 1 0.690 0.04 . 1 . . . . 84 ILE HD1 . 16789 1 980 . 1 1 86 86 ILE HG12 H 1 1.628 0.04 . 2 . . . . 84 ILE HG12 . 16789 1 981 . 1 1 86 86 ILE HG13 H 1 0.944 0.04 . 2 . . . . 84 ILE HG13 . 16789 1 982 . 1 1 86 86 ILE HG21 H 1 0.679 0.04 . 1 . . . . 84 ILE HG2 . 16789 1 983 . 1 1 86 86 ILE HG22 H 1 0.679 0.04 . 1 . . . . 84 ILE HG2 . 16789 1 984 . 1 1 86 86 ILE HG23 H 1 0.679 0.04 . 1 . . . . 84 ILE HG2 . 16789 1 985 . 1 1 86 86 ILE C C 13 174.750 0.4 . 1 . . . . 84 ILE C . 16789 1 986 . 1 1 86 86 ILE CA C 13 61.686 0.40 . 1 . . . . 84 ILE CA . 16789 1 987 . 1 1 86 86 ILE CB C 13 37.463 0.40 . 1 . . . . 84 ILE CB . 16789 1 988 . 1 1 86 86 ILE CD1 C 13 13.088 0.40 . 1 . . . . 84 ILE CD1 . 16789 1 989 . 1 1 86 86 ILE CG1 C 13 27.407 0.40 . 1 . . . . 84 ILE CG1 . 16789 1 990 . 1 1 86 86 ILE CG2 C 13 17.201 0.40 . 1 . . . . 84 ILE CG2 . 16789 1 991 . 1 1 86 86 ILE N N 15 119.517 0.40 . 1 . . . . 84 ILE N . 16789 1 992 . 1 1 87 87 ARG H H 1 8.227 0.04 . 1 . . . . 85 ARG H . 16789 1 993 . 1 1 87 87 ARG HA H 1 4.679 0.04 . 1 . . . . 85 ARG HA . 16789 1 994 . 1 1 87 87 ARG HB2 H 1 2.036 0.04 . 2 . . . . 85 ARG HB2 . 16789 1 995 . 1 1 87 87 ARG HB3 H 1 1.907 0.04 . 2 . . . . 85 ARG HB3 . 16789 1 996 . 1 1 87 87 ARG HD2 H 1 3.222 0.04 . 2 . . . . 85 ARG HD2 . 16789 1 997 . 1 1 87 87 ARG HD3 H 1 3.172 0.04 . 2 . . . . 85 ARG HD3 . 16789 1 998 . 1 1 87 87 ARG HG2 H 1 1.433 0.04 . 2 . . . . 85 ARG HG2 . 16789 1 999 . 1 1 87 87 ARG HG3 H 1 1.433 0.04 . 2 . . . . 85 ARG HG3 . 16789 1 1000 . 1 1 87 87 ARG C C 13 174.298 0.4 . 1 . . . . 85 ARG C . 16789 1 1001 . 1 1 87 87 ARG CA C 13 55.185 0.40 . 1 . . . . 85 ARG CA . 16789 1 1002 . 1 1 87 87 ARG CB C 13 32.669 0.40 . 1 . . . . 85 ARG CB . 16789 1 1003 . 1 1 87 87 ARG CD C 13 43.748 0.40 . 1 . . . . 85 ARG CD . 16789 1 1004 . 1 1 87 87 ARG CG C 13 27.229 0.40 . 1 . . . . 85 ARG CG . 16789 1 1005 . 1 1 87 87 ARG N N 15 130.650 0.40 . 1 . . . . 85 ARG N . 16789 1 1006 . 1 1 88 88 LEU H H 1 9.257 0.04 . 1 . . . . 86 LEU H . 16789 1 1007 . 1 1 88 88 LEU HA H 1 5.011 0.04 . 1 . . . . 86 LEU HA . 16789 1 1008 . 1 1 88 88 LEU HB2 H 1 1.861 0.04 . 2 . . . . 86 LEU HB2 . 16789 1 1009 . 1 1 88 88 LEU HB3 H 1 1.010 0.04 . 2 . . . . 86 LEU HB3 . 16789 1 1010 . 1 1 88 88 LEU HD11 H 1 0.754 0.04 . 1 . . . . 86 LEU HD1 . 16789 1 1011 . 1 1 88 88 LEU HD12 H 1 0.754 0.04 . 1 . . . . 86 LEU HD1 . 16789 1 1012 . 1 1 88 88 LEU HD13 H 1 0.754 0.04 . 1 . . . . 86 LEU HD1 . 16789 1 1013 . 1 1 88 88 LEU HD21 H 1 0.625 0.04 . 1 . . . . 86 LEU HD2 . 16789 1 1014 . 1 1 88 88 LEU HD22 H 1 0.625 0.04 . 1 . . . . 86 LEU HD2 . 16789 1 1015 . 1 1 88 88 LEU HD23 H 1 0.625 0.04 . 1 . . . . 86 LEU HD2 . 16789 1 1016 . 1 1 88 88 LEU C C 13 174.908 0.4 . 1 . . . . 86 LEU C . 16789 1 1017 . 1 1 88 88 LEU CA C 13 53.191 0.40 . 1 . . . . 86 LEU CA . 16789 1 1018 . 1 1 88 88 LEU CB C 13 44.095 0.40 . 1 . . . . 86 LEU CB . 16789 1 1019 . 1 1 88 88 LEU CD1 C 13 26.039 0.40 . 1 . . . . 86 LEU CD1 . 16789 1 1020 . 1 1 88 88 LEU CD2 C 13 23.443 0.40 . 1 . . . . 86 LEU CD2 . 16789 1 1021 . 1 1 88 88 LEU N N 15 123.641 0.40 . 1 . . . . 86 LEU N . 16789 1 1022 . 1 1 89 89 TRP H H 1 9.430 0.04 . 1 . . . . 87 TRP H . 16789 1 1023 . 1 1 89 89 TRP HA H 1 5.113 0.04 . 1 . . . . 87 TRP HA . 16789 1 1024 . 1 1 89 89 TRP HB2 H 1 3.364 0.04 . 2 . . . . 87 TRP HB2 . 16789 1 1025 . 1 1 89 89 TRP HB3 H 1 3.211 0.04 . 2 . . . . 87 TRP HB3 . 16789 1 1026 . 1 1 89 89 TRP HD1 H 1 7.079 0.04 . 1 . . . . 87 TRP HD1 . 16789 1 1027 . 1 1 89 89 TRP HE1 H 1 10.456 0.04 . 1 . . . . 87 TRP HE1 . 16789 1 1028 . 1 1 89 89 TRP HE3 H 1 7.012 0.04 . 2 . . . . 87 TRP HE3 . 16789 1 1029 . 1 1 89 89 TRP HH2 H 1 7.171 0.04 . 2 . . . . 87 TRP HH2 . 16789 1 1030 . 1 1 89 89 TRP HZ2 H 1 7.491 0.04 . 2 . . . . 87 TRP HZ2 . 16789 1 1031 . 1 1 89 89 TRP HZ3 H 1 7.473 0.04 . 2 . . . . 87 TRP HZ3 . 16789 1 1032 . 1 1 89 89 TRP CA C 13 53.130 0.40 . 1 . . . . 87 TRP CA . 16789 1 1033 . 1 1 89 89 TRP CB C 13 29.943 0.40 . 1 . . . . 87 TRP CB . 16789 1 1034 . 1 1 89 89 TRP CD1 C 13 127.043 0.40 . 1 . . . . 87 TRP CD1 . 16789 1 1035 . 1 1 89 89 TRP CE3 C 13 122.199 0.40 . 1 . . . . 87 TRP CE3 . 16789 1 1036 . 1 1 89 89 TRP CH2 C 13 124.294 0.40 . 1 . . . . 87 TRP CH2 . 16789 1 1037 . 1 1 89 89 TRP CZ2 C 13 115.196 0.40 . 1 . . . . 87 TRP CZ2 . 16789 1 1038 . 1 1 89 89 TRP CZ3 C 13 120.439 0.40 . 1 . . . . 87 TRP CZ3 . 16789 1 1039 . 1 1 89 89 TRP N N 15 123.877 0.40 . 1 . . . . 87 TRP N . 16789 1 1040 . 1 1 89 89 TRP NE1 N 15 131.328 0.04 . 1 . . . . 87 TRP NE1 . 16789 1 1041 . 1 1 90 90 PRO HA H 1 4.337 0.04 . 1 . . . . 88 PRO HA . 16789 1 1042 . 1 1 90 90 PRO HB2 H 1 2.537 0.04 . 2 . . . . 88 PRO HB2 . 16789 1 1043 . 1 1 90 90 PRO HB3 H 1 2.243 0.04 . 2 . . . . 88 PRO HB3 . 16789 1 1044 . 1 1 90 90 PRO HD2 H 1 3.835 0.04 . 2 . . . . 88 PRO HD2 . 16789 1 1045 . 1 1 90 90 PRO HD3 H 1 4.030 0.04 . 2 . . . . 88 PRO HD3 . 16789 1 1046 . 1 1 90 90 PRO HG2 H 1 1.796 0.04 . 2 . . . . 88 PRO HG2 . 16789 1 1047 . 1 1 90 90 PRO HG3 H 1 2.416 0.04 . 2 . . . . 88 PRO HG3 . 16789 1 1048 . 1 1 90 90 PRO C C 13 176.018 0.4 . 1 . . . . 88 PRO C . 16789 1 1049 . 1 1 90 90 PRO CA C 13 63.220 0.40 . 1 . . . . 88 PRO CA . 16789 1 1050 . 1 1 90 90 PRO CB C 13 32.611 0.40 . 1 . . . . 88 PRO CB . 16789 1 1051 . 1 1 90 90 PRO CD C 13 50.894 0.40 . 1 . . . . 88 PRO CD . 16789 1 1052 . 1 1 90 90 PRO CG C 13 28.404 0.40 . 1 . . . . 88 PRO CG . 16789 1 1053 . 1 1 91 91 MET H H 1 8.534 0.04 . 1 . . . . 89 MET H . 16789 1 1054 . 1 1 91 91 MET HA H 1 4.658 0.04 . 1 . . . . 89 MET HA . 16789 1 1055 . 1 1 91 91 MET HB2 H 1 2.069 0.04 . 2 . . . . 89 MET HB2 . 16789 1 1056 . 1 1 91 91 MET HB3 H 1 1.802 0.04 . 2 . . . . 89 MET HB3 . 16789 1 1057 . 1 1 91 91 MET HE1 H 1 1.987 0.04 . 1 . . . . 89 MET HE . 16789 1 1058 . 1 1 91 91 MET HE2 H 1 1.987 0.04 . 1 . . . . 89 MET HE . 16789 1 1059 . 1 1 91 91 MET HE3 H 1 1.987 0.04 . 1 . . . . 89 MET HE . 16789 1 1060 . 1 1 91 91 MET HG2 H 1 2.505 0.04 . 2 . . . . 89 MET HG2 . 16789 1 1061 . 1 1 91 91 MET HG3 H 1 2.505 0.04 . 2 . . . . 89 MET HG3 . 16789 1 1062 . 1 1 91 91 MET C C 13 176.389 0.4 . 1 . . . . 89 MET C . 16789 1 1063 . 1 1 91 91 MET CA C 13 55.424 0.40 . 1 . . . . 89 MET CA . 16789 1 1064 . 1 1 91 91 MET CB C 13 33.786 0.40 . 1 . . . . 89 MET CB . 16789 1 1065 . 1 1 91 91 MET CE C 13 17.437 0.40 . 1 . . . . 89 MET CE . 16789 1 1066 . 1 1 91 91 MET CG C 13 32.217 0.40 . 1 . . . . 89 MET CG . 16789 1 1067 . 1 1 91 91 MET N N 15 122.113 0.40 . 1 . . . . 89 MET N . 16789 1 1068 . 1 1 92 92 GLN H H 1 8.787 0.04 . 1 . . . . 90 GLN H . 16789 1 1069 . 1 1 92 92 GLN HA H 1 4.557 0.04 . 1 . . . . 90 GLN HA . 16789 1 1070 . 1 1 92 92 GLN HB2 H 1 2.040 0.04 . 2 . . . . 90 GLN HB2 . 16789 1 1071 . 1 1 92 92 GLN HB3 H 1 2.174 0.04 . 2 . . . . 90 GLN HB3 . 16789 1 1072 . 1 1 92 92 GLN HE21 H 1 7.649 0.04 . 1 . . . . 90 GLN HE21 . 16789 1 1073 . 1 1 92 92 GLN HE22 H 1 6.901 0.04 . 2 . . . . 90 GLN HE22 . 16789 1 1074 . 1 1 92 92 GLN HG2 H 1 2.438 0.04 . 2 . . . . 90 GLN HG2 . 16789 1 1075 . 1 1 92 92 GLN HG3 H 1 2.438 0.04 . 2 . . . . 90 GLN HG3 . 16789 1 1076 . 1 1 92 92 GLN C C 13 175.695 0.4 . 1 . . . . 90 GLN C . 16789 1 1077 . 1 1 92 92 GLN CA C 13 55.571 0.40 . 1 . . . . 90 GLN CA . 16789 1 1078 . 1 1 92 92 GLN CB C 13 30.058 0.40 . 1 . . . . 90 GLN CB . 16789 1 1079 . 1 1 92 92 GLN CG C 13 33.747 0.40 . 1 . . . . 90 GLN CG . 16789 1 1080 . 1 1 92 92 GLN N N 15 123.064 0.40 . 1 . . . . 90 GLN N . 16789 1 1081 . 1 1 92 92 GLN NE2 N 15 112.266 0.04 . 2 . . . . 90 GLN NE2 . 16789 1 1082 . 1 1 93 93 ALA H H 1 8.866 0.04 . 1 . . . . 91 ALA H . 16789 1 1083 . 1 1 93 93 ALA HA H 1 4.408 0.04 . 1 . . . . 91 ALA HA . 16789 1 1084 . 1 1 93 93 ALA HB1 H 1 1.461 0.04 . 1 . . . . 91 ALA HB . 16789 1 1085 . 1 1 93 93 ALA HB2 H 1 1.461 0.04 . 1 . . . . 91 ALA HB . 16789 1 1086 . 1 1 93 93 ALA HB3 H 1 1.461 0.04 . 1 . . . . 91 ALA HB . 16789 1 1087 . 1 1 93 93 ALA CA C 13 52.575 0.40 . 1 . . . . 91 ALA CA . 16789 1 1088 . 1 1 93 93 ALA CB C 13 19.457 0.40 . 1 . . . . 91 ALA CB . 16789 1 1089 . 1 1 93 93 ALA N N 15 127.068 0.40 . 1 . . . . 91 ALA N . 16789 1 1090 . 1 1 94 94 ARG H H 1 8.454 0.04 . 1 . . . . 92 ARG H . 16789 1 1091 . 1 1 94 94 ARG HA H 1 4.387 0.04 . 1 . . . . 92 ARG HA . 16789 1 1092 . 1 1 94 94 ARG HB2 H 1 1.911 0.04 . 2 . . . . 92 ARG HB2 . 16789 1 1093 . 1 1 94 94 ARG HB3 H 1 1.819 0.04 . 2 . . . . 92 ARG HB3 . 16789 1 1094 . 1 1 94 94 ARG HD2 H 1 3.200 0.04 . 2 . . . . 92 ARG HD2 . 16789 1 1095 . 1 1 94 94 ARG HD3 H 1 3.200 0.04 . 2 . . . . 92 ARG HD3 . 16789 1 1096 . 1 1 94 94 ARG HG2 H 1 1.689 0.04 . 2 . . . . 92 ARG HG2 . 16789 1 1097 . 1 1 94 94 ARG HG3 H 1 1.634 0.04 . 2 . . . . 92 ARG HG3 . 16789 1 1098 . 1 1 94 94 ARG CA C 13 56.177 0.40 . 1 . . . . 92 ARG CA . 16789 1 1099 . 1 1 94 94 ARG CB C 13 30.792 0.40 . 1 . . . . 92 ARG CB . 16789 1 1100 . 1 1 94 94 ARG CD C 13 43.186 0.40 . 1 . . . . 92 ARG CD . 16789 1 1101 . 1 1 94 94 ARG CG C 13 27.009 0.40 . 1 . . . . 92 ARG CG . 16789 1 1102 . 1 1 94 94 ARG N N 15 119.642 0.40 . 1 . . . . 92 ARG N . 16789 1 1103 . 1 1 95 95 SER H H 1 8.286 0.04 . 1 . . . . 93 SER H . 16789 1 1104 . 1 1 95 95 SER HA H 1 4.508 0.04 . 1 . . . . 93 SER HA . 16789 1 1105 . 1 1 95 95 SER HB2 H 1 3.883 0.04 . 2 . . . . 93 SER HB2 . 16789 1 1106 . 1 1 95 95 SER HB3 H 1 3.865 0.04 . 2 . . . . 93 SER HB3 . 16789 1 1107 . 1 1 95 95 SER C C 13 173.425 0.4 . 1 . . . . 93 SER C . 16789 1 1108 . 1 1 95 95 SER CA C 13 57.870 0.40 . 1 . . . . 93 SER CA . 16789 1 1109 . 1 1 95 95 SER CB C 13 63.949 0.40 . 1 . . . . 93 SER CB . 16789 1 1110 . 1 1 95 95 SER N N 15 116.148 0.40 . 1 . . . . 93 SER N . 16789 1 1111 . 1 1 96 96 ASN H H 1 8.058 0.04 . 1 . . . . 94 ASN H . 16789 1 1112 . 1 1 96 96 ASN HA H 1 4.526 0.04 . 1 . . . . 94 ASN HA . 16789 1 1113 . 1 1 96 96 ASN HB2 H 1 2.728 0.04 . 2 . . . . 94 ASN HB2 . 16789 1 1114 . 1 1 96 96 ASN HB3 H 1 2.832 0.04 . 2 . . . . 94 ASN HB3 . 16789 1 1115 . 1 1 96 96 ASN CA C 13 54.755 0.40 . 1 . . . . 94 ASN CA . 16789 1 1116 . 1 1 96 96 ASN CB C 13 40.690 0.40 . 1 . . . . 94 ASN CB . 16789 1 1117 . 1 1 96 96 ASN N N 15 125.806 0.40 . 1 . . . . 94 ASN N . 16789 1 1118 . 1 1 97 97 GLY H H 1 8.319 0.04 . 1 . . . . 95 GLY H . 16789 1 1119 . 1 1 97 97 GLY HA2 H 1 4.045 0.04 . 2 . . . . 95 GLY HA2 . 16789 1 1120 . 1 1 97 97 GLY HA3 H 1 3.935 0.04 . 2 . . . . 95 GLY HA3 . 16789 1 1121 . 1 1 97 97 GLY C C 13 174.513 0.4 . 1 . . . . 95 GLY C . 16789 1 1122 . 1 1 97 97 GLY CA C 13 45.619 0.40 . 1 . . . . 95 GLY CA . 16789 1 1123 . 1 1 97 97 GLY N N 15 114.232 0.40 . 1 . . . . 95 GLY N . 16789 1 1124 . 1 1 98 98 THR H H 1 8.011 0.04 . 1 . . . . 96 THR H . 16789 1 1125 . 1 1 98 98 THR HA H 1 4.338 0.04 . 1 . . . . 96 THR HA . 16789 1 1126 . 1 1 98 98 THR HB H 1 4.236 0.04 . 1 . . . . 96 THR HB . 16789 1 1127 . 1 1 98 98 THR HG21 H 1 1.190 0.04 . 1 . . . . 96 THR HG2 . 16789 1 1128 . 1 1 98 98 THR HG22 H 1 1.190 0.04 . 1 . . . . 96 THR HG2 . 16789 1 1129 . 1 1 98 98 THR HG23 H 1 1.190 0.04 . 1 . . . . 96 THR HG2 . 16789 1 1130 . 1 1 98 98 THR C C 13 174.587 0.4 . 1 . . . . 96 THR C . 16789 1 1131 . 1 1 98 98 THR CA C 13 61.894 0.40 . 1 . . . . 96 THR CA . 16789 1 1132 . 1 1 98 98 THR CB C 13 69.722 0.40 . 1 . . . . 96 THR CB . 16789 1 1133 . 1 1 98 98 THR CG2 C 13 21.560 0.40 . 1 . . . . 96 THR CG2 . 16789 1 1134 . 1 1 98 98 THR N N 15 113.345 0.40 . 1 . . . . 96 THR N . 16789 1 1135 . 1 1 99 99 LYS H H 1 8.231 0.04 . 1 . . . . 97 LYS H . 16789 1 1136 . 1 1 99 99 LYS HA H 1 4.404 0.04 . 1 . . . . 97 LYS HA . 16789 1 1137 . 1 1 99 99 LYS HB2 H 1 1.803 0.04 . 2 . . . . 97 LYS HB2 . 16789 1 1138 . 1 1 99 99 LYS HB3 H 1 1.702 0.04 . 2 . . . . 97 LYS HB3 . 16789 1 1139 . 1 1 99 99 LYS HD2 H 1 1.530 0.04 . 2 . . . . 97 LYS HD2 . 16789 1 1140 . 1 1 99 99 LYS HD3 H 1 1.530 0.04 . 2 . . . . 97 LYS HD3 . 16789 1 1141 . 1 1 99 99 LYS HE2 H 1 2.837 0.04 . 2 . . . . 97 LYS HE2 . 16789 1 1142 . 1 1 99 99 LYS HE3 H 1 2.837 0.04 . 2 . . . . 97 LYS HE3 . 16789 1 1143 . 1 1 99 99 LYS HG2 H 1 1.397 0.04 . 2 . . . . 97 LYS HG2 . 16789 1 1144 . 1 1 99 99 LYS HG3 H 1 1.397 0.04 . 2 . . . . 97 LYS HG3 . 16789 1 1145 . 1 1 99 99 LYS C C 13 176.183 0.4 . 1 . . . . 97 LYS C . 16789 1 1146 . 1 1 99 99 LYS CA C 13 56.142 0.40 . 1 . . . . 97 LYS CA . 16789 1 1147 . 1 1 99 99 LYS CB C 13 33.349 0.40 . 1 . . . . 97 LYS CB . 16789 1 1148 . 1 1 99 99 LYS CD C 13 28.979 0.40 . 1 . . . . 97 LYS CD . 16789 1 1149 . 1 1 99 99 LYS CE C 13 41.946 0.40 . 1 . . . . 97 LYS CE . 16789 1 1150 . 1 1 99 99 LYS CG C 13 24.755 0.40 . 1 . . . . 97 LYS CG . 16789 1 1151 . 1 1 99 99 LYS N N 15 123.631 0.40 . 1 . . . . 97 LYS N . 16789 1 1152 . 1 1 100 100 ARG H H 1 8.430 0.04 . 1 . . . . 98 ARG H . 16789 1 1153 . 1 1 100 100 ARG HA H 1 4.645 0.04 . 1 . . . . 98 ARG HA . 16789 1 1154 . 1 1 100 100 ARG HB2 H 1 1.772 0.04 . 2 . . . . 98 ARG HB2 . 16789 1 1155 . 1 1 100 100 ARG HB3 H 1 1.772 0.04 . 2 . . . . 98 ARG HB3 . 16789 1 1156 . 1 1 100 100 ARG HD2 H 1 3.095 0.04 . 2 . . . . 98 ARG HD2 . 16789 1 1157 . 1 1 100 100 ARG HD3 H 1 3.095 0.04 . 2 . . . . 98 ARG HD3 . 16789 1 1158 . 1 1 100 100 ARG CA C 13 54.074 0.40 . 1 . . . . 98 ARG CA . 16789 1 1159 . 1 1 100 100 ARG CB C 13 30.243 0.40 . 1 . . . . 98 ARG CB . 16789 1 1160 . 1 1 100 100 ARG CD C 13 43.478 0.40 . 1 . . . . 98 ARG CD . 16789 1 1161 . 1 1 100 100 ARG N N 15 122.991 0.40 . 1 . . . . 98 ARG N . 16789 1 1162 . 1 1 101 101 PRO HA H 1 4.526 0.04 . 1 . . . . 99 PRO HA . 16789 1 1163 . 1 1 101 101 PRO HB2 H 1 2.416 0.04 . 2 . . . . 99 PRO HB2 . 16789 1 1164 . 1 1 101 101 PRO HB3 H 1 2.028 0.04 . 2 . . . . 99 PRO HB3 . 16789 1 1165 . 1 1 101 101 PRO HD2 H 1 3.699 0.04 . 2 . . . . 99 PRO HD2 . 16789 1 1166 . 1 1 101 101 PRO HD3 H 1 3.846 0.04 . 2 . . . . 99 PRO HD3 . 16789 1 1167 . 1 1 101 101 PRO HG2 H 1 2.001 0.04 . 2 . . . . 99 PRO HG2 . 16789 1 1168 . 1 1 101 101 PRO HG3 H 1 2.062 0.04 . 2 . . . . 99 PRO HG3 . 16789 1 1169 . 1 1 101 101 PRO CA C 13 63.56 0.40 . 1 . . . . 99 PRO CA . 16789 1 1170 . 1 1 101 101 PRO CB C 13 32.385 0.40 . 1 . . . . 99 PRO CB . 16789 1 1171 . 1 1 101 101 PRO CD C 13 50.655 0.40 . 1 . . . . 99 PRO CD . 16789 1 1172 . 1 1 101 101 PRO CG C 13 27.572 0.40 . 1 . . . . 99 PRO CG . 16789 1 1173 . 1 1 102 102 ALA HA H 1 4.536 0.04 . 1 . . . . 100 ALA HA . 16789 1 1174 . 1 1 102 102 ALA HB1 H 1 1.380 0.04 . 1 . . . . 100 ALA HB . 16789 1 1175 . 1 1 102 102 ALA HB2 H 1 1.380 0.04 . 1 . . . . 100 ALA HB . 16789 1 1176 . 1 1 102 102 ALA HB3 H 1 1.380 0.04 . 1 . . . . 100 ALA HB . 16789 1 1177 . 1 1 102 102 ALA C C 13 175.714 0.4 . 1 . . . . 100 ALA C . 16789 1 1178 . 1 1 102 102 ALA CA C 13 51.512 0.40 . 1 . . . . 100 ALA CA . 16789 1 1179 . 1 1 102 102 ALA CB C 13 20.733 0.40 . 1 . . . . 100 ALA CB . 16789 1 1180 . 1 1 103 103 MET H H 1 7.612 0.04 . 1 . . . . 101 MET H . 16789 1 1181 . 1 1 103 103 MET HA H 1 3.717 0.04 . 1 . . . . 101 MET HA . 16789 1 1182 . 1 1 103 103 MET HB2 H 1 0.960 0.04 . 2 . . . . 101 MET HB2 . 16789 1 1183 . 1 1 103 103 MET HB3 H 1 0.270 0.04 . 2 . . . . 101 MET HB3 . 16789 1 1184 . 1 1 103 103 MET HE1 H 1 1.916 0.04 . 1 . . . . 101 MET HE . 16789 1 1185 . 1 1 103 103 MET HE2 H 1 1.916 0.04 . 1 . . . . 101 MET HE . 16789 1 1186 . 1 1 103 103 MET HE3 H 1 1.916 0.04 . 1 . . . . 101 MET HE . 16789 1 1187 . 1 1 103 103 MET HG2 H 1 1.999 0.04 . 2 . . . . 101 MET HG2 . 16789 1 1188 . 1 1 103 103 MET HG3 H 1 0.954 0.04 . 2 . . . . 101 MET HG3 . 16789 1 1189 . 1 1 103 103 MET CA C 13 54.873 0.40 . 1 . . . . 101 MET CA . 16789 1 1190 . 1 1 103 103 MET CB C 13 33.724 0.40 . 1 . . . . 101 MET CB . 16789 1 1191 . 1 1 103 103 MET CE C 13 16.951 0.40 . 1 . . . . 101 MET CE . 16789 1 1192 . 1 1 103 103 MET CG C 13 30.300 0.40 . 1 . . . . 101 MET CG . 16789 1 1193 . 1 1 103 103 MET N N 15 122.076 0.40 . 1 . . . . 101 MET N . 16789 1 1194 . 1 1 104 104 LEU HA H 1 4.152 0.04 . 1 . . . . 102 LEU HA . 16789 1 1195 . 1 1 104 104 LEU HB2 H 1 1.835 0.04 . 2 . . . . 102 LEU HB2 . 16789 1 1196 . 1 1 104 104 LEU HB3 H 1 1.218 0.04 . 2 . . . . 102 LEU HB3 . 16789 1 1197 . 1 1 104 104 LEU HD11 H 1 0.904 0.04 . 1 . . . . 102 LEU HD1 . 16789 1 1198 . 1 1 104 104 LEU HD12 H 1 0.904 0.04 . 1 . . . . 102 LEU HD1 . 16789 1 1199 . 1 1 104 104 LEU HD13 H 1 0.904 0.04 . 1 . . . . 102 LEU HD1 . 16789 1 1200 . 1 1 104 104 LEU HD21 H 1 1.053 0.04 . 1 . . . . 102 LEU HD2 . 16789 1 1201 . 1 1 104 104 LEU HD22 H 1 1.053 0.04 . 1 . . . . 102 LEU HD2 . 16789 1 1202 . 1 1 104 104 LEU HD23 H 1 1.053 0.04 . 1 . . . . 102 LEU HD2 . 16789 1 1203 . 1 1 104 104 LEU HG H 1 1.520 0.04 . 1 . . . . 102 LEU HG . 16789 1 1204 . 1 1 104 104 LEU C C 13 176.087 0.4 . 1 . . . . 102 LEU C . 16789 1 1205 . 1 1 104 104 LEU CA C 13 55.433 0.40 . 1 . . . . 102 LEU CA . 16789 1 1206 . 1 1 104 104 LEU CB C 13 41.733 0.40 . 1 . . . . 102 LEU CB . 16789 1 1207 . 1 1 104 104 LEU CD1 C 13 25.920 0.40 . 1 . . . . 102 LEU CD1 . 16789 1 1208 . 1 1 104 104 LEU CD2 C 13 23.473 0.40 . 1 . . . . 102 LEU CD2 . 16789 1 1209 . 1 1 104 104 LEU CG C 13 27.136 0.40 . 1 . . . . 102 LEU CG . 16789 1 1210 . 1 1 105 105 ASP H H 1 9.158 0.04 . 1 . . . . 103 ASP H . 16789 1 1211 . 1 1 105 105 ASP HA H 1 4.743 0.04 . 1 . . . . 103 ASP HA . 16789 1 1212 . 1 1 105 105 ASP HB2 H 1 2.843 0.04 . 2 . . . . 103 ASP HB2 . 16789 1 1213 . 1 1 105 105 ASP HB3 H 1 2.391 0.04 . 2 . . . . 103 ASP HB3 . 16789 1 1214 . 1 1 105 105 ASP C C 13 175.646 0.4 . 1 . . . . 103 ASP C . 16789 1 1215 . 1 1 105 105 ASP CA C 13 51.948 0.40 . 1 . . . . 103 ASP CA . 16789 1 1216 . 1 1 105 105 ASP CB C 13 42.315 0.40 . 1 . . . . 103 ASP CB . 16789 1 1217 . 1 1 105 105 ASP N N 15 124.198 0.40 . 1 . . . . 103 ASP N . 16789 1 1218 . 1 1 106 106 ASN H H 1 8.666 0.04 . 1 . . . . 104 ASN H . 16789 1 1219 . 1 1 106 106 ASN HA H 1 4.099 0.04 . 1 . . . . 104 ASN HA . 16789 1 1220 . 1 1 106 106 ASN HB2 H 1 2.731 0.04 . 2 . . . . 104 ASN HB2 . 16789 1 1221 . 1 1 106 106 ASN HB3 H 1 2.705 0.04 . 2 . . . . 104 ASN HB3 . 16789 1 1222 . 1 1 106 106 ASN HD21 H 1 6.428 0.04 . 1 . . . . 104 ASN HD21 . 16789 1 1223 . 1 1 106 106 ASN HD22 H 1 7.392 0.04 . 2 . . . . 104 ASN HD22 . 16789 1 1224 . 1 1 106 106 ASN C C 13 176.782 0.4 . 1 . . . . 104 ASN C . 16789 1 1225 . 1 1 106 106 ASN CA C 13 56.084 0.40 . 1 . . . . 104 ASN CA . 16789 1 1226 . 1 1 106 106 ASN CB C 13 37.448 0.40 . 1 . . . . 104 ASN CB . 16789 1 1227 . 1 1 106 106 ASN N N 15 124.262 0.40 . 1 . . . . 104 ASN N . 16789 1 1228 . 1 1 106 106 ASN ND2 N 15 108.119 0.04 . 2 . . . . 104 ASN ND2 . 16789 1 1229 . 1 1 107 107 GLU H H 1 7.942 0.04 . 1 . . . . 105 GLU H . 16789 1 1230 . 1 1 107 107 GLU HA H 1 4.243 0.04 . 1 . . . . 105 GLU HA . 16789 1 1231 . 1 1 107 107 GLU HB2 H 1 2.039 0.04 . 2 . . . . 105 GLU HB2 . 16789 1 1232 . 1 1 107 107 GLU HB3 H 1 2.039 0.04 . 2 . . . . 105 GLU HB3 . 16789 1 1233 . 1 1 107 107 GLU HG2 H 1 2.305 0.04 . 2 . . . . 105 GLU HG2 . 16789 1 1234 . 1 1 107 107 GLU HG3 H 1 2.305 0.04 . 2 . . . . 105 GLU HG3 . 16789 1 1235 . 1 1 107 107 GLU C C 13 178.555 0.4 . 1 . . . . 105 GLU C . 16789 1 1236 . 1 1 107 107 GLU CA C 13 58.080 0.40 . 1 . . . . 105 GLU CA . 16789 1 1237 . 1 1 107 107 GLU CB C 13 30.155 0.40 . 1 . . . . 105 GLU CB . 16789 1 1238 . 1 1 107 107 GLU CG C 13 35.665 0.40 . 1 . . . . 105 GLU CG . 16789 1 1239 . 1 1 107 107 GLU N N 15 116.200 0.40 . 1 . . . . 105 GLU N . 16789 1 1240 . 1 1 108 108 ALA H H 1 8.175 0.04 . 1 . . . . 106 ALA H . 16789 1 1241 . 1 1 108 108 ALA HA H 1 4.145 0.04 . 1 . . . . 106 ALA HA . 16789 1 1242 . 1 1 108 108 ALA HB1 H 1 1.326 0.04 . 1 . . . . 106 ALA HB . 16789 1 1243 . 1 1 108 108 ALA HB2 H 1 1.326 0.04 . 1 . . . . 106 ALA HB . 16789 1 1244 . 1 1 108 108 ALA HB3 H 1 1.326 0.04 . 1 . . . . 106 ALA HB . 16789 1 1245 . 1 1 108 108 ALA C C 13 179.797 0.4 . 1 . . . . 106 ALA C . 16789 1 1246 . 1 1 108 108 ALA CA C 13 54.452 0.40 . 1 . . . . 106 ALA CA . 16789 1 1247 . 1 1 108 108 ALA CB C 13 18.870 0.40 . 1 . . . . 106 ALA CB . 16789 1 1248 . 1 1 108 108 ALA N N 15 123.184 0.40 . 1 . . . . 106 ALA N . 16789 1 1249 . 1 1 109 109 ASP H H 1 8.713 0.04 . 1 . . . . 107 ASP H . 16789 1 1250 . 1 1 109 109 ASP HA H 1 4.892 0.04 . 1 . . . . 107 ASP HA . 16789 1 1251 . 1 1 109 109 ASP HB2 H 1 2.898 0.04 . 2 . . . . 107 ASP HB2 . 16789 1 1252 . 1 1 109 109 ASP HB3 H 1 2.724 0.04 . 2 . . . . 107 ASP HB3 . 16789 1 1253 . 1 1 109 109 ASP C C 13 177.197 0.4 . 1 . . . . 107 ASP C . 16789 1 1254 . 1 1 109 109 ASP CA C 13 54.519 0.40 . 1 . . . . 107 ASP CA . 16789 1 1255 . 1 1 109 109 ASP CB C 13 41.848 0.40 . 1 . . . . 107 ASP CB . 16789 1 1256 . 1 1 109 109 ASP N N 15 114.577 0.40 . 1 . . . . 107 ASP N . 16789 1 1257 . 1 1 110 110 GLY H H 1 7.184 0.04 . 1 . . . . 108 GLY H . 16789 1 1258 . 1 1 110 110 GLY HA2 H 1 4.095 0.04 . 2 . . . . 108 GLY HA2 . 16789 1 1259 . 1 1 110 110 GLY HA3 H 1 3.739 0.04 . 2 . . . . 108 GLY HA3 . 16789 1 1260 . 1 1 110 110 GLY C C 13 173.912 0.4 . 1 . . . . 108 GLY C . 16789 1 1261 . 1 1 110 110 GLY CA C 13 47.835 0.40 . 1 . . . . 108 GLY CA . 16789 1 1262 . 1 1 110 110 GLY N N 15 105.313 0.40 . 1 . . . . 108 GLY N . 16789 1 1263 . 1 1 111 111 ASN H H 1 8.292 0.04 . 1 . . . . 109 ASN H . 16789 1 1264 . 1 1 111 111 ASN HA H 1 4.930 0.04 . 1 . . . . 109 ASN HA . 16789 1 1265 . 1 1 111 111 ASN HB2 H 1 2.889 0.04 . 2 . . . . 109 ASN HB2 . 16789 1 1266 . 1 1 111 111 ASN HB3 H 1 2.783 0.04 . 2 . . . . 109 ASN HB3 . 16789 1 1267 . 1 1 111 111 ASN HD21 H 1 6.896 0.04 . 1 . . . . 109 ASN HD21 . 16789 1 1268 . 1 1 111 111 ASN HD22 H 1 7.571 0.04 . 2 . . . . 109 ASN HD22 . 16789 1 1269 . 1 1 111 111 ASN C C 13 176.234 0.4 . 1 . . . . 109 ASN C . 16789 1 1270 . 1 1 111 111 ASN CA C 13 52.742 0.40 . 1 . . . . 109 ASN CA . 16789 1 1271 . 1 1 111 111 ASN CB C 13 38.471 0.40 . 1 . . . . 109 ASN CB . 16789 1 1272 . 1 1 111 111 ASN N N 15 113.263 0.40 . 1 . . . . 109 ASN N . 16789 1 1273 . 1 1 111 111 ASN ND2 N 15 112.888 0.04 . 2 . . . . 109 ASN ND2 . 16789 1 1274 . 1 1 112 112 LYS H H 1 7.849 0.04 . 1 . . . . 110 LYS H . 16789 1 1275 . 1 1 112 112 LYS HA H 1 4.325 0.04 . 1 . . . . 110 LYS HA . 16789 1 1276 . 1 1 112 112 LYS HB2 H 1 2.085 0.04 . 2 . . . . 110 LYS HB2 . 16789 1 1277 . 1 1 112 112 LYS HB3 H 1 2.085 0.04 . 2 . . . . 110 LYS HB3 . 16789 1 1278 . 1 1 112 112 LYS HD2 H 1 1.665 0.04 . 2 . . . . 110 LYS HD2 . 16789 1 1279 . 1 1 112 112 LYS HD3 H 1 1.665 0.04 . 2 . . . . 110 LYS HD3 . 16789 1 1280 . 1 1 112 112 LYS HE2 H 1 3.049 0.04 . 2 . . . . 110 LYS HE2 . 16789 1 1281 . 1 1 112 112 LYS HE3 H 1 3.049 0.04 . 2 . . . . 110 LYS HE3 . 16789 1 1282 . 1 1 112 112 LYS HG2 H 1 1.571 0.04 . 2 . . . . 110 LYS HG2 . 16789 1 1283 . 1 1 112 112 LYS HG3 H 1 1.440 0.04 . 2 . . . . 110 LYS HG3 . 16789 1 1284 . 1 1 112 112 LYS CA C 13 56.371 0.40 . 1 . . . . 110 LYS CA . 16789 1 1285 . 1 1 112 112 LYS CB C 13 33.374 0.40 . 1 . . . . 110 LYS CB . 16789 1 1286 . 1 1 112 112 LYS CD C 13 29.903 0.40 . 1 . . . . 110 LYS CD . 16789 1 1287 . 1 1 112 112 LYS CE C 13 42.520 0.40 . 1 . . . . 110 LYS CE . 16789 1 1288 . 1 1 112 112 LYS CG C 13 26.358 0.40 . 1 . . . . 110 LYS CG . 16789 1 1289 . 1 1 112 112 LYS N N 15 122.460 0.40 . 1 . . . . 110 LYS N . 16789 1 1290 . 1 1 113 113 THR HA H 1 4.752 0.04 . 1 . . . . 111 THR HA . 16789 1 1291 . 1 1 113 113 THR HB H 1 4.741 0.04 . 1 . . . . 111 THR HB . 16789 1 1292 . 1 1 113 113 THR HG21 H 1 1.189 0.04 . 1 . . . . 111 THR HG2 . 16789 1 1293 . 1 1 113 113 THR HG22 H 1 1.189 0.04 . 1 . . . . 111 THR HG2 . 16789 1 1294 . 1 1 113 113 THR HG23 H 1 1.189 0.04 . 1 . . . . 111 THR HG2 . 16789 1 1295 . 1 1 113 113 THR C C 13 176.189 0.4 . 1 . . . . 111 THR C . 16789 1 1296 . 1 1 113 113 THR CA C 13 60.370 0.40 . 1 . . . . 111 THR CA . 16789 1 1297 . 1 1 113 113 THR CB C 13 70.868 0.40 . 1 . . . . 111 THR CB . 16789 1 1298 . 1 1 113 113 THR CG2 C 13 21.903 0.40 . 1 . . . . 111 THR CG2 . 16789 1 1299 . 1 1 114 114 MET H H 1 8.490 0.04 . 1 . . . . 112 MET H . 16789 1 1300 . 1 1 114 114 MET HA H 1 4.328 0.04 . 1 . . . . 112 MET HA . 16789 1 1301 . 1 1 114 114 MET HB2 H 1 2.045 0.04 . 2 . . . . 112 MET HB2 . 16789 1 1302 . 1 1 114 114 MET HB3 H 1 1.877 0.04 . 2 . . . . 112 MET HB3 . 16789 1 1303 . 1 1 114 114 MET HE1 H 1 1.358 0.04 . 1 . . . . 112 MET HE . 16789 1 1304 . 1 1 114 114 MET HE2 H 1 1.358 0.04 . 1 . . . . 112 MET HE . 16789 1 1305 . 1 1 114 114 MET HE3 H 1 1.358 0.04 . 1 . . . . 112 MET HE . 16789 1 1306 . 1 1 114 114 MET C C 13 179.095 0.4 . 1 . . . . 112 MET C . 16789 1 1307 . 1 1 114 114 MET CA C 13 56.400 0.40 . 1 . . . . 112 MET CA . 16789 1 1308 . 1 1 114 114 MET CB C 13 30.369 0.40 . 1 . . . . 112 MET CB . 16789 1 1309 . 1 1 114 114 MET CE C 13 17.238 0.40 . 1 . . . . 112 MET CE . 16789 1 1310 . 1 1 114 114 MET N N 15 120.065 0.40 . 1 . . . . 112 MET N . 16789 1 1311 . 1 1 115 115 ILE H H 1 8.197 0.04 . 1 . . . . 113 ILE H . 16789 1 1312 . 1 1 115 115 ILE HA H 1 4.116 0.04 . 1 . . . . 113 ILE HA . 16789 1 1313 . 1 1 115 115 ILE HB H 1 1.556 0.04 . 1 . . . . 113 ILE HB . 16789 1 1314 . 1 1 115 115 ILE HD11 H 1 0.806 0.04 . 1 . . . . 113 ILE HD1 . 16789 1 1315 . 1 1 115 115 ILE HD12 H 1 0.806 0.04 . 1 . . . . 113 ILE HD1 . 16789 1 1316 . 1 1 115 115 ILE HD13 H 1 0.806 0.04 . 1 . . . . 113 ILE HD1 . 16789 1 1317 . 1 1 115 115 ILE HG12 H 1 1.309 0.04 . 2 . . . . 113 ILE HG12 . 16789 1 1318 . 1 1 115 115 ILE HG13 H 1 1.199 0.04 . 2 . . . . 113 ILE HG13 . 16789 1 1319 . 1 1 115 115 ILE HG21 H 1 0.840 0.04 . 1 . . . . 113 ILE HG2 . 16789 1 1320 . 1 1 115 115 ILE HG22 H 1 0.840 0.04 . 1 . . . . 113 ILE HG2 . 16789 1 1321 . 1 1 115 115 ILE HG23 H 1 0.840 0.04 . 1 . . . . 113 ILE HG2 . 16789 1 1322 . 1 1 115 115 ILE C C 13 177.296 0.4 . 1 . . . . 113 ILE C . 16789 1 1323 . 1 1 115 115 ILE CA C 13 60.277 0.40 . 1 . . . . 113 ILE CA . 16789 1 1324 . 1 1 115 115 ILE CB C 13 38.204 0.40 . 1 . . . . 113 ILE CB . 16789 1 1325 . 1 1 115 115 ILE CD1 C 13 13.946 0.40 . 1 . . . . 113 ILE CD1 . 16789 1 1326 . 1 1 115 115 ILE CG1 C 13 29.046 0.40 . 1 . . . . 113 ILE CG1 . 16789 1 1327 . 1 1 115 115 ILE CG2 C 13 18.417 0.40 . 1 . . . . 113 ILE CG2 . 16789 1 1328 . 1 1 115 115 ILE N N 15 116.576 0.40 . 1 . . . . 113 ILE N . 16789 1 1329 . 1 1 116 116 GLU H H 1 7.347 0.04 . 1 . . . . 114 GLU H . 16789 1 1330 . 1 1 116 116 GLU HA H 1 4.079 0.04 . 1 . . . . 114 GLU HA . 16789 1 1331 . 1 1 116 116 GLU HB2 H 1 2.147 0.04 . 2 . . . . 114 GLU HB2 . 16789 1 1332 . 1 1 116 116 GLU HB3 H 1 1.961 0.04 . 2 . . . . 114 GLU HB3 . 16789 1 1333 . 1 1 116 116 GLU HG2 H 1 2.306 0.04 . 2 . . . . 114 GLU HG2 . 16789 1 1334 . 1 1 116 116 GLU HG3 H 1 2.117 0.04 . 2 . . . . 114 GLU HG3 . 16789 1 1335 . 1 1 116 116 GLU CA C 13 58.681 0.40 . 1 . . . . 114 GLU CA . 16789 1 1336 . 1 1 116 116 GLU CB C 13 29.367 0.40 . 1 . . . . 114 GLU CB . 16789 1 1337 . 1 1 116 116 GLU CG C 13 36.613 0.40 . 1 . . . . 114 GLU CG . 16789 1 1338 . 1 1 116 116 GLU N N 15 124.455 0.40 . 1 . . . . 114 GLU N . 16789 1 1339 . 1 1 117 117 LEU HA H 1 3.915 0.04 . 1 . . . . 115 LEU HA . 16789 1 1340 . 1 1 117 117 LEU HB2 H 1 1.795 0.04 . 2 . . . . 115 LEU HB2 . 16789 1 1341 . 1 1 117 117 LEU HB3 H 1 1.423 0.04 . 2 . . . . 115 LEU HB3 . 16789 1 1342 . 1 1 117 117 LEU HD11 H 1 1.029 0.04 . 1 . . . . 115 LEU HD1 . 16789 1 1343 . 1 1 117 117 LEU HD12 H 1 1.029 0.04 . 1 . . . . 115 LEU HD1 . 16789 1 1344 . 1 1 117 117 LEU HD13 H 1 1.029 0.04 . 1 . . . . 115 LEU HD1 . 16789 1 1345 . 1 1 117 117 LEU HD21 H 1 0.926 0.04 . 1 . . . . 115 LEU HD2 . 16789 1 1346 . 1 1 117 117 LEU HD22 H 1 0.926 0.04 . 1 . . . . 115 LEU HD2 . 16789 1 1347 . 1 1 117 117 LEU HD23 H 1 0.926 0.04 . 1 . . . . 115 LEU HD2 . 16789 1 1348 . 1 1 117 117 LEU HG H 1 1.729 0.04 . 1 . . . . 115 LEU HG . 16789 1 1349 . 1 1 117 117 LEU CA C 13 56.961 0.40 . 1 . . . . 115 LEU CA . 16789 1 1350 . 1 1 117 117 LEU CB C 13 43.052 0.40 . 1 . . . . 115 LEU CB . 16789 1 1351 . 1 1 117 117 LEU CD1 C 13 28.250 0.40 . 1 . . . . 115 LEU CD1 . 16789 1 1352 . 1 1 117 117 LEU CD2 C 13 23.253 0.40 . 1 . . . . 115 LEU CD2 . 16789 1 1353 . 1 1 117 117 LEU CG C 13 26.648 0.40 . 1 . . . . 115 LEU CG . 16789 1 1354 . 1 1 118 118 SER HA H 1 2.380 0.04 . 1 . . . . 116 SER HA . 16789 1 1355 . 1 1 118 118 SER HB2 H 1 3.007 0.04 . 2 . . . . 116 SER HB2 . 16789 1 1356 . 1 1 118 118 SER HB3 H 1 2.393 0.04 . 2 . . . . 116 SER HB3 . 16789 1 1357 . 1 1 118 118 SER C C 13 175.713 0.4 . 1 . . . . 116 SER C . 16789 1 1358 . 1 1 118 118 SER CA C 13 58.417 0.40 . 1 . . . . 116 SER CA . 16789 1 1359 . 1 1 118 118 SER CB C 13 63.020 0.40 . 1 . . . . 116 SER CB . 16789 1 1360 . 1 1 119 119 ASP H H 1 7.604 0.04 . 1 . . . . 117 ASP H . 16789 1 1361 . 1 1 119 119 ASP HA H 1 4.162 0.04 . 1 . . . . 117 ASP HA . 16789 1 1362 . 1 1 119 119 ASP HB2 H 1 3.064 0.04 . 2 . . . . 117 ASP HB2 . 16789 1 1363 . 1 1 119 119 ASP HB3 H 1 2.306 0.04 . 2 . . . . 117 ASP HB3 . 16789 1 1364 . 1 1 119 119 ASP C C 13 175.433 0.4 . 1 . . . . 117 ASP C . 16789 1 1365 . 1 1 119 119 ASP CA C 13 55.057 0.40 . 1 . . . . 117 ASP CA . 16789 1 1366 . 1 1 119 119 ASP CB C 13 39.614 0.40 . 1 . . . . 117 ASP CB . 16789 1 1367 . 1 1 119 119 ASP N N 15 122.479 0.40 . 1 . . . . 117 ASP N . 16789 1 1368 . 1 1 120 120 ASN H H 1 7.871 0.04 . 1 . . . . 118 ASN H . 16789 1 1369 . 1 1 120 120 ASN HA H 1 3.952 0.04 . 1 . . . . 118 ASN HA . 16789 1 1370 . 1 1 120 120 ASN HB2 H 1 2.993 0.04 . 2 . . . . 118 ASN HB2 . 16789 1 1371 . 1 1 120 120 ASN HB3 H 1 2.805 0.04 . 2 . . . . 118 ASN HB3 . 16789 1 1372 . 1 1 120 120 ASN HD21 H 1 6.669 0.04 . 1 . . . . 118 ASN HD21 . 16789 1 1373 . 1 1 120 120 ASN HD22 H 1 7.436 0.04 . 2 . . . . 118 ASN HD22 . 16789 1 1374 . 1 1 120 120 ASN C C 13 174.430 0.4 . 1 . . . . 118 ASN C . 16789 1 1375 . 1 1 120 120 ASN CA C 13 54.617 0.40 . 1 . . . . 118 ASN CA . 16789 1 1376 . 1 1 120 120 ASN CB C 13 37.792 0.40 . 1 . . . . 118 ASN CB . 16789 1 1377 . 1 1 120 120 ASN N N 15 109.037 0.40 . 1 . . . . 118 ASN N . 16789 1 1378 . 1 1 120 120 ASN ND2 N 15 112.778 0.04 . 2 . . . . 118 ASN ND2 . 16789 1 1379 . 1 1 121 121 GLU H H 1 7.368 0.04 . 1 . . . . 119 GLU H . 16789 1 1380 . 1 1 121 121 GLU HA H 1 4.170 0.04 . 1 . . . . 119 GLU HA . 16789 1 1381 . 1 1 121 121 GLU HB2 H 1 2.046 0.04 . 2 . . . . 119 GLU HB2 . 16789 1 1382 . 1 1 121 121 GLU HB3 H 1 1.911 0.04 . 2 . . . . 119 GLU HB3 . 16789 1 1383 . 1 1 121 121 GLU HG2 H 1 2.468 0.04 . 2 . . . . 119 GLU HG2 . 16789 1 1384 . 1 1 121 121 GLU HG3 H 1 2.370 0.04 . 2 . . . . 119 GLU HG3 . 16789 1 1385 . 1 1 121 121 GLU C C 13 175.495 0.4 . 1 . . . . 119 GLU C . 16789 1 1386 . 1 1 121 121 GLU CA C 13 56.768 0.40 . 1 . . . . 119 GLU CA . 16789 1 1387 . 1 1 121 121 GLU CB C 13 30.200 0.40 . 1 . . . . 119 GLU CB . 16789 1 1388 . 1 1 121 121 GLU CG C 13 36.270 0.40 . 1 . . . . 119 GLU CG . 16789 1 1389 . 1 1 121 121 GLU N N 15 121.485 0.40 . 1 . . . . 119 GLU N . 16789 1 1390 . 1 1 122 122 ASN H H 1 7.985 0.04 . 1 . . . . 120 ASN H . 16789 1 1391 . 1 1 122 122 ASN HA H 1 4.843 0.04 . 1 . . . . 120 ASN HA . 16789 1 1392 . 1 1 122 122 ASN HB2 H 1 2.689 0.04 . 2 . . . . 120 ASN HB2 . 16789 1 1393 . 1 1 122 122 ASN HB3 H 1 2.850 0.04 . 2 . . . . 120 ASN HB3 . 16789 1 1394 . 1 1 122 122 ASN HD21 H 1 7.150 0.04 . 1 . . . . 120 ASN HD21 . 16789 1 1395 . 1 1 122 122 ASN HD22 H 1 7.849 0.04 . 2 . . . . 120 ASN HD22 . 16789 1 1396 . 1 1 122 122 ASN CA C 13 50.255 0.40 . 1 . . . . 120 ASN CA . 16789 1 1397 . 1 1 122 122 ASN CB C 13 40.230 0.40 . 1 . . . . 120 ASN CB . 16789 1 1398 . 1 1 122 122 ASN N N 15 119.023 0.40 . 1 . . . . 120 ASN N . 16789 1 1399 . 1 1 122 122 ASN ND2 N 15 112.002 0.04 . 2 . . . . 120 ASN ND2 . 16789 1 1400 . 1 1 123 123 PRO HA H 1 5.445 0.04 . 1 . . . . 121 PRO HA . 16789 1 1401 . 1 1 123 123 PRO HB2 H 1 2.124 0.04 . 2 . . . . 121 PRO HB2 . 16789 1 1402 . 1 1 123 123 PRO HB3 H 1 1.672 0.04 . 2 . . . . 121 PRO HB3 . 16789 1 1403 . 1 1 123 123 PRO HD2 H 1 3.564 0.04 . 2 . . . . 121 PRO HD2 . 16789 1 1404 . 1 1 123 123 PRO HD3 H 1 3.564 0.04 . 2 . . . . 121 PRO HD3 . 16789 1 1405 . 1 1 123 123 PRO HG2 H 1 1.850 0.04 . 2 . . . . 121 PRO HG2 . 16789 1 1406 . 1 1 123 123 PRO HG3 H 1 1.793 0.04 . 2 . . . . 121 PRO HG3 . 16789 1 1407 . 1 1 123 123 PRO C C 13 175.300 0.4 . 1 . . . . 121 PRO C . 16789 1 1408 . 1 1 123 123 PRO CA C 13 62.779 0.40 . 1 . . . . 121 PRO CA . 16789 1 1409 . 1 1 123 123 PRO CB C 13 34.919 0.40 . 1 . . . . 121 PRO CB . 16789 1 1410 . 1 1 123 123 PRO CD C 13 50.363 0.40 . 1 . . . . 121 PRO CD . 16789 1 1411 . 1 1 123 123 PRO CG C 13 25.297 0.40 . 1 . . . . 121 PRO CG . 16789 1 1412 . 1 1 124 124 TRP H H 1 8.823 0.04 . 1 . . . . 122 TRP H . 16789 1 1413 . 1 1 124 124 TRP HA H 1 5.248 0.04 . 1 . . . . 122 TRP HA . 16789 1 1414 . 1 1 124 124 TRP HB2 H 1 3.264 0.04 . 2 . . . . 122 TRP HB2 . 16789 1 1415 . 1 1 124 124 TRP HB3 H 1 2.940 0.04 . 2 . . . . 122 TRP HB3 . 16789 1 1416 . 1 1 124 124 TRP HD1 H 1 7.622 0.04 . 1 . . . . 122 TRP HD1 . 16789 1 1417 . 1 1 124 124 TRP HE1 H 1 10.053 0.04 . 1 . . . . 122 TRP HE1 . 16789 1 1418 . 1 1 124 124 TRP HE3 H 1 6.862 0.04 . 2 . . . . 122 TRP HE3 . 16789 1 1419 . 1 1 124 124 TRP HH2 H 1 6.859 0.04 . 2 . . . . 122 TRP HH2 . 16789 1 1420 . 1 1 124 124 TRP HZ2 H 1 7.161 0.04 . 2 . . . . 122 TRP HZ2 . 16789 1 1421 . 1 1 124 124 TRP HZ3 H 1 7.057 0.04 . 2 . . . . 122 TRP HZ3 . 16789 1 1422 . 1 1 124 124 TRP C C 13 174.918 0.4 . 1 . . . . 122 TRP C . 16789 1 1423 . 1 1 124 124 TRP CA C 13 53.800 0.40 . 1 . . . . 122 TRP CA . 16789 1 1424 . 1 1 124 124 TRP CB C 13 31.210 0.40 . 1 . . . . 122 TRP CB . 16789 1 1425 . 1 1 124 124 TRP CD1 C 13 125.815 0.40 . 1 . . . . 122 TRP CD1 . 16789 1 1426 . 1 1 124 124 TRP CE3 C 13 121.552 0.40 . 1 . . . . 122 TRP CE3 . 16789 1 1427 . 1 1 124 124 TRP CH2 C 13 124.810 0.40 . 1 . . . . 122 TRP CH2 . 16789 1 1428 . 1 1 124 124 TRP CZ2 C 13 113.719 0.40 . 1 . . . . 122 TRP CZ2 . 16789 1 1429 . 1 1 124 124 TRP CZ3 C 13 119.994 0.40 . 1 . . . . 122 TRP CZ3 . 16789 1 1430 . 1 1 124 124 TRP N N 15 124.402 0.40 . 1 . . . . 122 TRP N . 16789 1 1431 . 1 1 124 124 TRP NE1 N 15 128.409 0.04 . 1 . . . . 122 TRP NE1 . 16789 1 1432 . 1 1 125 125 THR H H 1 8.837 0.04 . 1 . . . . 123 THR H . 16789 1 1433 . 1 1 125 125 THR HA H 1 5.100 0.04 . 1 . . . . 123 THR HA . 16789 1 1434 . 1 1 125 125 THR HB H 1 3.944 0.04 . 1 . . . . 123 THR HB . 16789 1 1435 . 1 1 125 125 THR HG21 H 1 1.051 0.04 . 1 . . . . 123 THR HG2 . 16789 1 1436 . 1 1 125 125 THR HG22 H 1 1.051 0.04 . 1 . . . . 123 THR HG2 . 16789 1 1437 . 1 1 125 125 THR HG23 H 1 1.051 0.04 . 1 . . . . 123 THR HG2 . 16789 1 1438 . 1 1 125 125 THR C C 13 172.504 0.4 . 1 . . . . 123 THR C . 16789 1 1439 . 1 1 125 125 THR CA C 13 62.521 0.40 . 1 . . . . 123 THR CA . 16789 1 1440 . 1 1 125 125 THR CB C 13 68.953 0.40 . 1 . . . . 123 THR CB . 16789 1 1441 . 1 1 125 125 THR CG2 C 13 22.191 0.40 . 1 . . . . 123 THR CG2 . 16789 1 1442 . 1 1 125 125 THR N N 15 127.087 0.40 . 1 . . . . 123 THR N . 16789 1 1443 . 1 1 126 126 ILE H H 1 8.758 0.04 . 1 . . . . 124 ILE H . 16789 1 1444 . 1 1 126 126 ILE HA H 1 4.081 0.04 . 1 . . . . 124 ILE HA . 16789 1 1445 . 1 1 126 126 ILE HB H 1 1.171 0.04 . 1 . . . . 124 ILE HB . 16789 1 1446 . 1 1 126 126 ILE HD11 H 1 -0.436 0.04 . 1 . . . . 124 ILE HD1 . 16789 1 1447 . 1 1 126 126 ILE HD12 H 1 -0.436 0.04 . 1 . . . . 124 ILE HD1 . 16789 1 1448 . 1 1 126 126 ILE HD13 H 1 -0.436 0.04 . 1 . . . . 124 ILE HD1 . 16789 1 1449 . 1 1 126 126 ILE HG12 H 1 0.512 0.04 . 2 . . . . 124 ILE HG12 . 16789 1 1450 . 1 1 126 126 ILE HG13 H 1 -0.393 0.04 . 2 . . . . 124 ILE HG13 . 16789 1 1451 . 1 1 126 126 ILE HG21 H 1 0.312 0.04 . 1 . . . . 124 ILE HG2 . 16789 1 1452 . 1 1 126 126 ILE HG22 H 1 0.312 0.04 . 1 . . . . 124 ILE HG2 . 16789 1 1453 . 1 1 126 126 ILE HG23 H 1 0.312 0.04 . 1 . . . . 124 ILE HG2 . 16789 1 1454 . 1 1 126 126 ILE C C 13 175.390 0.4 . 1 . . . . 124 ILE C . 16789 1 1455 . 1 1 126 126 ILE CA C 13 59.637 0.40 . 1 . . . . 124 ILE CA . 16789 1 1456 . 1 1 126 126 ILE CB C 13 42.239 0.40 . 1 . . . . 124 ILE CB . 16789 1 1457 . 1 1 126 126 ILE CD1 C 13 12.544 0.40 . 1 . . . . 124 ILE CD1 . 16789 1 1458 . 1 1 126 126 ILE CG1 C 13 25.968 0.40 . 1 . . . . 124 ILE CG1 . 16789 1 1459 . 1 1 126 126 ILE CG2 C 13 18.882 0.40 . 1 . . . . 124 ILE CG2 . 16789 1 1460 . 1 1 126 126 ILE N N 15 124.738 0.40 . 1 . . . . 124 ILE N . 16789 1 1461 . 1 1 127 127 PHE H H 1 8.790 0.04 . 1 . . . . 125 PHE H . 16789 1 1462 . 1 1 127 127 PHE HA H 1 5.196 0.04 . 1 . . . . 125 PHE HA . 16789 1 1463 . 1 1 127 127 PHE HB2 H 1 3.141 0.04 . 2 . . . . 125 PHE HB2 . 16789 1 1464 . 1 1 127 127 PHE HB3 H 1 3.115 0.04 . 2 . . . . 125 PHE HB3 . 16789 1 1465 . 1 1 127 127 PHE HD1 H 1 7.005 0.04 . 1 . . . . 125 PHE HD1 . 16789 1 1466 . 1 1 127 127 PHE HE1 H 1 6.643 0.04 . 1 . . . . 125 PHE HE1 . 16789 1 1467 . 1 1 127 127 PHE HZ H 1 6.505 0.04 . 1 . . . . 125 PHE HZ . 16789 1 1468 . 1 1 127 127 PHE C C 13 173.749 0.4 . 1 . . . . 125 PHE C . 16789 1 1469 . 1 1 127 127 PHE CA C 13 56.471 0.40 . 1 . . . . 125 PHE CA . 16789 1 1470 . 1 1 127 127 PHE CB C 13 40.300 0.40 . 1 . . . . 125 PHE CB . 16789 1 1471 . 1 1 127 127 PHE CD1 C 13 131.030 0.40 . 1 . . . . 125 PHE CD1 . 16789 1 1472 . 1 1 127 127 PHE CE1 C 13 130.081 0.40 . 1 . . . . 125 PHE CE1 . 16789 1 1473 . 1 1 127 127 PHE CZ C 13 128.692 0.40 . 1 . . . . 125 PHE CZ . 16789 1 1474 . 1 1 127 127 PHE N N 15 126.666 0.40 . 1 . . . . 125 PHE N . 16789 1 1475 . 1 1 128 128 LEU H H 1 8.467 0.04 . 1 . . . . 126 LEU H . 16789 1 1476 . 1 1 128 128 LEU HA H 1 5.015 0.04 . 1 . . . . 126 LEU HA . 16789 1 1477 . 1 1 128 128 LEU HB2 H 1 1.588 0.04 . 2 . . . . 126 LEU HB2 . 16789 1 1478 . 1 1 128 128 LEU HB3 H 1 1.059 0.04 . 2 . . . . 126 LEU HB3 . 16789 1 1479 . 1 1 128 128 LEU HD11 H 1 0.608 0.04 . 1 . . . . 126 LEU HD1 . 16789 1 1480 . 1 1 128 128 LEU HD12 H 1 0.608 0.04 . 1 . . . . 126 LEU HD1 . 16789 1 1481 . 1 1 128 128 LEU HD13 H 1 0.608 0.04 . 1 . . . . 126 LEU HD1 . 16789 1 1482 . 1 1 128 128 LEU HD21 H 1 0.749 0.04 . 1 . . . . 126 LEU HD2 . 16789 1 1483 . 1 1 128 128 LEU HD22 H 1 0.749 0.04 . 1 . . . . 126 LEU HD2 . 16789 1 1484 . 1 1 128 128 LEU HD23 H 1 0.749 0.04 . 1 . . . . 126 LEU HD2 . 16789 1 1485 . 1 1 128 128 LEU HG H 1 1.325 0.04 . 1 . . . . 126 LEU HG . 16789 1 1486 . 1 1 128 128 LEU C C 13 174.089 0.4 . 1 . . . . 126 LEU C . 16789 1 1487 . 1 1 128 128 LEU CA C 13 53.259 0.40 . 1 . . . . 126 LEU CA . 16789 1 1488 . 1 1 128 128 LEU CB C 13 45.112 0.40 . 1 . . . . 126 LEU CB . 16789 1 1489 . 1 1 128 128 LEU CD1 C 13 26.472 0.40 . 1 . . . . 126 LEU CD1 . 16789 1 1490 . 1 1 128 128 LEU CD2 C 13 25.703 0.40 . 1 . . . . 126 LEU CD2 . 16789 1 1491 . 1 1 128 128 LEU CG C 13 27.218 0.40 . 1 . . . . 126 LEU CG . 16789 1 1492 . 1 1 128 128 LEU N N 15 129.147 0.40 . 1 . . . . 126 LEU N . 16789 1 1493 . 1 1 129 129 GLU H H 1 8.846 0.04 . 1 . . . . 127 GLU H . 16789 1 1494 . 1 1 129 129 GLU HA H 1 4.418 0.04 . 1 . . . . 127 GLU HA . 16789 1 1495 . 1 1 129 129 GLU HB2 H 1 1.970 0.04 . 2 . . . . 127 GLU HB2 . 16789 1 1496 . 1 1 129 129 GLU HB3 H 1 2.363 0.04 . 2 . . . . 127 GLU HB3 . 16789 1 1497 . 1 1 129 129 GLU HG2 H 1 2.403 0.04 . 2 . . . . 127 GLU HG2 . 16789 1 1498 . 1 1 129 129 GLU HG3 H 1 2.277 0.04 . 2 . . . . 127 GLU HG3 . 16789 1 1499 . 1 1 129 129 GLU C C 13 174.567 0.4 . 1 . . . . 127 GLU C . 16789 1 1500 . 1 1 129 129 GLU CA C 13 55.647 0.40 . 1 . . . . 127 GLU CA . 16789 1 1501 . 1 1 129 129 GLU CB C 13 32.066 0.40 . 1 . . . . 127 GLU CB . 16789 1 1502 . 1 1 129 129 GLU CG C 13 36.224 0.40 . 1 . . . . 127 GLU CG . 16789 1 1503 . 1 1 129 129 GLU N N 15 128.367 0.40 . 1 . . . . 127 GLU N . 16789 1 1504 . 1 1 130 130 THR H H 1 7.639 0.04 . 1 . . . . 128 THR H . 16789 1 1505 . 1 1 130 130 THR HA H 1 4.375 0.04 . 1 . . . . 128 THR HA . 16789 1 1506 . 1 1 130 130 THR HB H 1 4.048 0.04 . 1 . . . . 128 THR HB . 16789 1 1507 . 1 1 130 130 THR HG21 H 1 0.606 0.04 . 1 . . . . 128 THR HG2 . 16789 1 1508 . 1 1 130 130 THR HG22 H 1 0.606 0.04 . 1 . . . . 128 THR HG2 . 16789 1 1509 . 1 1 130 130 THR HG23 H 1 0.606 0.04 . 1 . . . . 128 THR HG2 . 16789 1 1510 . 1 1 130 130 THR CA C 13 62.093 0.40 . 1 . . . . 128 THR CA . 16789 1 1511 . 1 1 130 130 THR CB C 13 71.048 0.40 . 1 . . . . 128 THR CB . 16789 1 1512 . 1 1 130 130 THR CG2 C 13 21.346 0.40 . 1 . . . . 128 THR CG2 . 16789 1 1513 . 1 1 130 130 THR N N 15 120.775 0.40 . 1 . . . . 128 THR N . 16789 1 stop_ save_