data_17443 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17443 _Entry.Title ; Solution structure of human ubiquitin conjugating enzyme Rad6b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-04 _Entry.Accession_date 2011-02-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Anding Huang . . . 17443 2 R. Hibbert . G. . 17443 3 R. Dejong . N. . 17443 4 D. Das . . . 17443 5 T. Sixma . K. . 17443 6 R. Boelens . . . 17443 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17443 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . HuangGroup . 17443 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA DAMAGE' . 17443 'DNA REPAIR' . 17443 E2 . 17443 E3 . 17443 LIGASE . 17443 Rad18 . 17443 Rad6 . 17443 'RING dimer' . 17443 ubiquitination . 17443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 581 17443 '15N chemical shifts' 140 17443 '1H chemical shifts' 971 17443 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 2 . . 2011-07-01 2011-02-04 update BMRB 'update entry citation' 17443 1 . . 2011-05-12 2011-02-04 original author 'original release' 17443 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2Y4W 'BMRB Entry Tracking System' 17443 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17443 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21549715 _Citation.Full_citation . _Citation.Title 'Symmetry and Asymmetry of the RING-RING Dimer of Rad18.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 410 _Citation.Journal_issue 3 _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 424 _Citation.Page_last 435 _Citation.Year 2011 _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 Anding Huang . . . 17443 1 2 Richard Hibbert . G. . 17443 1 3 Rob 'de Jong' . N. . 17443 1 4 Devashish Das . . . 17443 1 5 Titia Sixma . K. . 17443 1 6 Rolf Boelens . . . 17443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17443 _Assembly.ID 1 _Assembly.Name 'Solution structure of human ubiquitin conjugating enzyme Rad6b' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 17307.2685 _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 'UBIQUITIN-CONJUGATING ENZYME E2 B' 1 $UBIQUITIN-CONJUGATING_ENZYME_E2_B A . yes native no no . . . 17443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBIQUITIN-CONJUGATING_ENZYME_E2_B _Entity.Sf_category entity _Entity.Sf_framecode UBIQUITIN-CONJUGATING_ENZYME_E2_B _Entity.Entry_ID 17443 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBIQUITIN-CONJUGATING_ENZYME_E2_B _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 ; MSTPARRRLMRDFKRLQEDP PVGVSGAPSENNIMQWNAVI FGPEGTPFEDGTFKLVIEFS EEYPNKPPTVRFLSKMFHPN VYADGSICLDILQNRWSPTY DVSSILTSIQSLLDEPNPNS PANSQAAQLYQENKREYEKR VSAIVEQSWNDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'whole protein' _Entity.Mutation . _Entity.EC_number 6.3.2.19 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17307.2685 _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 yes UNP UBE2B_HUMAN . P63146 . . . . . . . . . . . . . . 17443 1 2 no PDB 1JAS . Hsubc2b . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 3 no PDB 2Y4W . "Solution Structure Of Human Ubiquitin Conjugating Enzyme Rad6b" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 4 no PDB 2YB6 . "Native Human Rad6" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 5 no PDB 2YBF . "Complex Of Rad18 (Rad6 Binding Domain) With Rad6b" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 6 no DBJ BAB26934 . "unnamed protein product [Mus musculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 7 no DBJ BAB27570 . "unnamed protein product [Mus musculus]" . . . . . 100.00 152 99.34 99.34 2.22e-106 . . . . 17443 1 8 no DBJ BAE28135 . "unnamed protein product [Mus musculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 9 no DBJ BAE40998 . "unnamed protein product [Mus musculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 10 no DBJ BAE88681 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 11 no EMBL CAA37339 . "E2 protein [Homo sapiens]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 12 no EMBL CAA65602 . "ubiquitin-conjugating enzym [Mus musculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 13 no EMBL CAG28562 . "UBE2B [Homo sapiens]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 14 no EMBL CAJ83014 . "ubiquitin-conjugating enzyme E2B (RAD6 homolog) [Xenopus (Silurana) tropicalis]" . . . . . 94.08 143 98.60 99.30 1.59e-98 . . . . 17443 1 15 no GB AAA21087 . "ubiquitin conjugating-protein [Rattus norvegicus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 16 no GB AAA31492 . "ubiquitin conjugating-protein [Oryctolagus cuniculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 17 no GB AAA35982 . "HHR6B (Human homologue of yeast RAD 6); putative [Homo sapiens]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 18 no GB AAB60669 . "14 kDa ubiquitin conjugating enzyme [Rattus norvegicus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 19 no GB AAC52884 . "E214K [Mus musculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 20 no PRF 2016220A . "ubiquitin-conjugating enzyme:ISOTYPE=E2-14k" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 21 no REF NP_001005124 . "ubiquitin-conjugating enzyme E2 B [Xenopus (Silurana) tropicalis]" . . . . . 100.00 152 98.68 99.34 1.20e-105 . . . . 17443 1 22 no REF NP_001032536 . "ubiquitin-conjugating enzyme E2 B [Bos taurus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 23 no REF NP_001075765 . "ubiquitin-conjugating enzyme E2 B [Oryctolagus cuniculus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 24 no REF NP_001085320 . "ubiquitin-conjugating enzyme E2B [Xenopus laevis]" . . . . . 100.00 152 98.68 99.34 1.20e-105 . . . . 17443 1 25 no REF NP_001181362 . "ubiquitin-conjugating enzyme E2 B [Macaca mulatta]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 26 no SP P63146 . "RecName: Full=Ubiquitin-conjugating enzyme E2 B; AltName: Full=E2 ubiquitin-conjugating enzyme B; AltName: Full=RAD6 homolog B;" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 27 no SP P63147 . "RecName: Full=Ubiquitin-conjugating enzyme E2 B; AltName: Full=E2 ubiquitin-conjugating enzyme B; AltName: Full=E214K; AltName:" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 28 no SP P63148 . "RecName: Full=Ubiquitin-conjugating enzyme E2 B; AltName: Full=E2 ubiquitin-conjugating enzyme B; AltName: Full=RAD6 homolog B;" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 29 no SP P63149 . "RecName: Full=Ubiquitin-conjugating enzyme E2 B; AltName: Full=E2 ubiquitin-conjugating enzyme B; AltName: Full=RAD6 homolog B;" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 30 no SP Q32P99 . "RecName: Full=Ubiquitin-conjugating enzyme E2 B; AltName: Full=E2 ubiquitin-conjugating enzyme B; AltName: Full=Ubiquitin carri" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 31 no TPG DAA27462 . "TPA: ubiquitin-conjugating enzyme E2 B [Bos taurus]" . . . . . 100.00 152 100.00 100.00 3.18e-107 . . . . 17443 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 6.3.2.19 EC 17443 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 17443 1 2 2 SER . 17443 1 3 3 THR . 17443 1 4 4 PRO . 17443 1 5 5 ALA . 17443 1 6 6 ARG . 17443 1 7 7 ARG . 17443 1 8 8 ARG . 17443 1 9 9 LEU . 17443 1 10 10 MET . 17443 1 11 11 ARG . 17443 1 12 12 ASP . 17443 1 13 13 PHE . 17443 1 14 14 LYS . 17443 1 15 15 ARG . 17443 1 16 16 LEU . 17443 1 17 17 GLN . 17443 1 18 18 GLU . 17443 1 19 19 ASP . 17443 1 20 20 PRO . 17443 1 21 21 PRO . 17443 1 22 22 VAL . 17443 1 23 23 GLY . 17443 1 24 24 VAL . 17443 1 25 25 SER . 17443 1 26 26 GLY . 17443 1 27 27 ALA . 17443 1 28 28 PRO . 17443 1 29 29 SER . 17443 1 30 30 GLU . 17443 1 31 31 ASN . 17443 1 32 32 ASN . 17443 1 33 33 ILE . 17443 1 34 34 MET . 17443 1 35 35 GLN . 17443 1 36 36 TRP . 17443 1 37 37 ASN . 17443 1 38 38 ALA . 17443 1 39 39 VAL . 17443 1 40 40 ILE . 17443 1 41 41 PHE . 17443 1 42 42 GLY . 17443 1 43 43 PRO . 17443 1 44 44 GLU . 17443 1 45 45 GLY . 17443 1 46 46 THR . 17443 1 47 47 PRO . 17443 1 48 48 PHE . 17443 1 49 49 GLU . 17443 1 50 50 ASP . 17443 1 51 51 GLY . 17443 1 52 52 THR . 17443 1 53 53 PHE . 17443 1 54 54 LYS . 17443 1 55 55 LEU . 17443 1 56 56 VAL . 17443 1 57 57 ILE . 17443 1 58 58 GLU . 17443 1 59 59 PHE . 17443 1 60 60 SER . 17443 1 61 61 GLU . 17443 1 62 62 GLU . 17443 1 63 63 TYR . 17443 1 64 64 PRO . 17443 1 65 65 ASN . 17443 1 66 66 LYS . 17443 1 67 67 PRO . 17443 1 68 68 PRO . 17443 1 69 69 THR . 17443 1 70 70 VAL . 17443 1 71 71 ARG . 17443 1 72 72 PHE . 17443 1 73 73 LEU . 17443 1 74 74 SER . 17443 1 75 75 LYS . 17443 1 76 76 MET . 17443 1 77 77 PHE . 17443 1 78 78 HIS . 17443 1 79 79 PRO . 17443 1 80 80 ASN . 17443 1 81 81 VAL . 17443 1 82 82 TYR . 17443 1 83 83 ALA . 17443 1 84 84 ASP . 17443 1 85 85 GLY . 17443 1 86 86 SER . 17443 1 87 87 ILE . 17443 1 88 88 CYS . 17443 1 89 89 LEU . 17443 1 90 90 ASP . 17443 1 91 91 ILE . 17443 1 92 92 LEU . 17443 1 93 93 GLN . 17443 1 94 94 ASN . 17443 1 95 95 ARG . 17443 1 96 96 TRP . 17443 1 97 97 SER . 17443 1 98 98 PRO . 17443 1 99 99 THR . 17443 1 100 100 TYR . 17443 1 101 101 ASP . 17443 1 102 102 VAL . 17443 1 103 103 SER . 17443 1 104 104 SER . 17443 1 105 105 ILE . 17443 1 106 106 LEU . 17443 1 107 107 THR . 17443 1 108 108 SER . 17443 1 109 109 ILE . 17443 1 110 110 GLN . 17443 1 111 111 SER . 17443 1 112 112 LEU . 17443 1 113 113 LEU . 17443 1 114 114 ASP . 17443 1 115 115 GLU . 17443 1 116 116 PRO . 17443 1 117 117 ASN . 17443 1 118 118 PRO . 17443 1 119 119 ASN . 17443 1 120 120 SER . 17443 1 121 121 PRO . 17443 1 122 122 ALA . 17443 1 123 123 ASN . 17443 1 124 124 SER . 17443 1 125 125 GLN . 17443 1 126 126 ALA . 17443 1 127 127 ALA . 17443 1 128 128 GLN . 17443 1 129 129 LEU . 17443 1 130 130 TYR . 17443 1 131 131 GLN . 17443 1 132 132 GLU . 17443 1 133 133 ASN . 17443 1 134 134 LYS . 17443 1 135 135 ARG . 17443 1 136 136 GLU . 17443 1 137 137 TYR . 17443 1 138 138 GLU . 17443 1 139 139 LYS . 17443 1 140 140 ARG . 17443 1 141 141 VAL . 17443 1 142 142 SER . 17443 1 143 143 ALA . 17443 1 144 144 ILE . 17443 1 145 145 VAL . 17443 1 146 146 GLU . 17443 1 147 147 GLN . 17443 1 148 148 SER . 17443 1 149 149 TRP . 17443 1 150 150 ASN . 17443 1 151 151 ASP . 17443 1 152 152 SER . 17443 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17443 1 . SER 2 2 17443 1 . THR 3 3 17443 1 . PRO 4 4 17443 1 . ALA 5 5 17443 1 . ARG 6 6 17443 1 . ARG 7 7 17443 1 . ARG 8 8 17443 1 . LEU 9 9 17443 1 . MET 10 10 17443 1 . ARG 11 11 17443 1 . ASP 12 12 17443 1 . PHE 13 13 17443 1 . LYS 14 14 17443 1 . ARG 15 15 17443 1 . LEU 16 16 17443 1 . GLN 17 17 17443 1 . GLU 18 18 17443 1 . ASP 19 19 17443 1 . PRO 20 20 17443 1 . PRO 21 21 17443 1 . VAL 22 22 17443 1 . GLY 23 23 17443 1 . VAL 24 24 17443 1 . SER 25 25 17443 1 . GLY 26 26 17443 1 . ALA 27 27 17443 1 . PRO 28 28 17443 1 . SER 29 29 17443 1 . GLU 30 30 17443 1 . ASN 31 31 17443 1 . ASN 32 32 17443 1 . ILE 33 33 17443 1 . MET 34 34 17443 1 . GLN 35 35 17443 1 . TRP 36 36 17443 1 . ASN 37 37 17443 1 . ALA 38 38 17443 1 . VAL 39 39 17443 1 . ILE 40 40 17443 1 . PHE 41 41 17443 1 . GLY 42 42 17443 1 . PRO 43 43 17443 1 . GLU 44 44 17443 1 . GLY 45 45 17443 1 . THR 46 46 17443 1 . PRO 47 47 17443 1 . PHE 48 48 17443 1 . GLU 49 49 17443 1 . ASP 50 50 17443 1 . GLY 51 51 17443 1 . THR 52 52 17443 1 . PHE 53 53 17443 1 . LYS 54 54 17443 1 . LEU 55 55 17443 1 . VAL 56 56 17443 1 . ILE 57 57 17443 1 . GLU 58 58 17443 1 . PHE 59 59 17443 1 . SER 60 60 17443 1 . GLU 61 61 17443 1 . GLU 62 62 17443 1 . TYR 63 63 17443 1 . PRO 64 64 17443 1 . ASN 65 65 17443 1 . LYS 66 66 17443 1 . PRO 67 67 17443 1 . PRO 68 68 17443 1 . THR 69 69 17443 1 . VAL 70 70 17443 1 . ARG 71 71 17443 1 . PHE 72 72 17443 1 . LEU 73 73 17443 1 . SER 74 74 17443 1 . LYS 75 75 17443 1 . MET 76 76 17443 1 . PHE 77 77 17443 1 . HIS 78 78 17443 1 . PRO 79 79 17443 1 . ASN 80 80 17443 1 . VAL 81 81 17443 1 . TYR 82 82 17443 1 . ALA 83 83 17443 1 . ASP 84 84 17443 1 . GLY 85 85 17443 1 . SER 86 86 17443 1 . ILE 87 87 17443 1 . CYS 88 88 17443 1 . LEU 89 89 17443 1 . ASP 90 90 17443 1 . ILE 91 91 17443 1 . LEU 92 92 17443 1 . GLN 93 93 17443 1 . ASN 94 94 17443 1 . ARG 95 95 17443 1 . TRP 96 96 17443 1 . SER 97 97 17443 1 . PRO 98 98 17443 1 . THR 99 99 17443 1 . TYR 100 100 17443 1 . ASP 101 101 17443 1 . VAL 102 102 17443 1 . SER 103 103 17443 1 . SER 104 104 17443 1 . ILE 105 105 17443 1 . LEU 106 106 17443 1 . THR 107 107 17443 1 . SER 108 108 17443 1 . ILE 109 109 17443 1 . GLN 110 110 17443 1 . SER 111 111 17443 1 . LEU 112 112 17443 1 . LEU 113 113 17443 1 . ASP 114 114 17443 1 . GLU 115 115 17443 1 . PRO 116 116 17443 1 . ASN 117 117 17443 1 . PRO 118 118 17443 1 . ASN 119 119 17443 1 . SER 120 120 17443 1 . PRO 121 121 17443 1 . ALA 122 122 17443 1 . ASN 123 123 17443 1 . SER 124 124 17443 1 . GLN 125 125 17443 1 . ALA 126 126 17443 1 . ALA 127 127 17443 1 . GLN 128 128 17443 1 . LEU 129 129 17443 1 . TYR 130 130 17443 1 . GLN 131 131 17443 1 . GLU 132 132 17443 1 . ASN 133 133 17443 1 . LYS 134 134 17443 1 . ARG 135 135 17443 1 . GLU 136 136 17443 1 . TYR 137 137 17443 1 . GLU 138 138 17443 1 . LYS 139 139 17443 1 . ARG 140 140 17443 1 . VAL 141 141 17443 1 . SER 142 142 17443 1 . ALA 143 143 17443 1 . ILE 144 144 17443 1 . VAL 145 145 17443 1 . GLU 146 146 17443 1 . GLN 147 147 17443 1 . SER 148 148 17443 1 . TRP 149 149 17443 1 . ASN 150 150 17443 1 . ASP 151 151 17443 1 . SER 152 152 17443 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 17443 _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 $UBIQUITIN-CONJUGATING_ENZYME_E2_B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17443 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 17443 _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 $UBIQUITIN-CONJUGATING_ENZYME_E2_B . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pLIS . . na . . . . . . 17443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17443 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50mM KH2PO4/K2HPO4 (pH 8.0), 300 mM NaCl, 1 mM DTT, 95%/5% H2O/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 'UBIQUITIN-CONJUGATING ENZYME E2 B' . . . 1 $UBIQUITIN-CONJUGATING_ENZYME_E2_B . . 1 . . mM . . . . 17443 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 17443 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [8.0], temp [310], pressure [1], ionStrength [300.0]' 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' 300.000 . mM 17443 1 pH 8.000 . pH 17443 1 pressure 1.000 . atm 17443 1 temperature 310.000 . K 17443 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 17443 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 17443 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID na 17443 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17443 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details 'refinment according to RECOORD approach' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 17443 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17443 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 17443 _Software.ID 3 _Software.Name SPARKY _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17443 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17443 3 stop_ save_ save_CYANA _Method.Sf_category method _Method.Sf_framecode CYANA _Method.Entry_ID 17443 _Method.ID 1 _Method.Derivation_type . _Method.Details CYANA _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-750 _NMR_spectrometer.Entry_ID 17443 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17443 _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 Bruker_Avance-750 Bruker Avance . 750 . . . 17443 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 17443 _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 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 14 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 1 15 '3D CNH-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 17443 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 17443 _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 proton' . . . . ppm 0.0000 internal indirect 0.25144953 . . . 1 $entry_citation . . 1 $entry_citation 17443 1 H 1 DSS 'methyl proton' . . . . ppm 0.0000 internal indirect 1 . . . 1 $entry_citation . . 1 $entry_citation 17443 1 N 15 DSS 'methyl proton' . . . . ppm 0.0000 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17443 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 17443 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2y4w/ebi/rad6b_str3.csh' _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' 1 $sample_1 solution 17443 1 2 '2D 1H-13C HSQC' 1 $sample_1 solution 17443 1 3 '2D 1H-1H NOESY' 1 $sample_1 solution 17443 1 4 '3D CBCA(CO)NH' 1 $sample_1 solution 17443 1 5 '3D C(CO)NH' 1 $sample_1 solution 17443 1 6 '3D HNCO' 1 $sample_1 solution 17443 1 7 '3D HNCA' 1 $sample_1 solution 17443 1 8 '3D HNCACB' 1 $sample_1 solution 17443 1 9 '3D HBHA(CO)NH' 1 $sample_1 solution 17443 1 10 '3D HN(CO)CA' 1 $sample_1 solution 17443 1 11 '3D HCCH-TOCSY' 1 $sample_1 solution 17443 1 12 '3D 1H-15N NOESY' 1 $sample_1 solution 17443 1 13 '3D 1H-13C NOESY' 1 $sample_1 solution 17443 1 14 '3D HNCACO' 1 $sample_1 solution 17443 1 15 '3D CNH-NOESY' 1 $sample_1 solution 17443 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 118.816 0.150 . 1 . 1 . . . . . . 17443 1 2 . 1 1 1 1 MET H H 1 7.735 0.015 . 1 . 2 . . . . . . 17443 1 3 . 1 1 1 1 MET CA C 13 56.378 0.150 . 1 . 3 . . . . . . 17443 1 4 . 1 1 1 1 MET CB C 13 31.620 0.150 . 1 . 4 . . . . . . 17443 1 5 . 1 1 1 1 MET C C 13 171.905 0.150 . 1 . 5 . . . . . . 17443 1 6 . 1 1 2 2 SER N N 15 121.207 0.150 . 1 . 6 . . . . . . 17443 1 7 . 1 1 2 2 SER H H 1 7.900 0.015 . 1 . 7 . . . . . . 17443 1 8 . 1 1 2 2 SER CA C 13 56.310 0.050 . 1 . 8 . . . . . . 17443 1 9 . 1 1 2 2 SER HA H 1 4.494 0.007 . 1 . 9 . . . . . . 17443 1 10 . 1 1 2 2 SER CB C 13 61.349 0.150 . 1 . 10 . . . . . . 17443 1 11 . 1 1 2 2 SER HB2 H 1 3.997 0.015 . 1 . 11 . . . . . . 17443 1 12 . 1 1 2 2 SER HB3 H 1 3.997 0.015 . 1 . 12 . . . . . . 17443 1 13 . 1 1 3 3 THR N N 15 112.437 0.150 . 1 . 13 . . . . . . 17443 1 14 . 1 1 3 3 THR H H 1 7.402 0.015 . 1 . 14 . . . . . . 17443 1 15 . 1 1 3 3 THR CA C 13 56.350 0.106 . 1 . 15 . . . . . . 17443 1 16 . 1 1 3 3 THR HA H 1 5.048 0.010 . 1 . 16 . . . . . . 17443 1 17 . 1 1 3 3 THR CB C 13 66.463 0.059 . 1 . 17 . . . . . . 17443 1 18 . 1 1 3 3 THR HB H 1 4.763 0.011 . 1 . 18 . . . . . . 17443 1 19 . 1 1 3 3 THR HG21 H 1 1.339 0.007 . 1 . 19 . . . . . . 17443 1 20 . 1 1 3 3 THR HG22 H 1 1.339 0.007 . 1 . 19 . . . . . . 17443 1 21 . 1 1 3 3 THR HG23 H 1 1.339 0.007 . 1 . 19 . . . . . . 17443 1 22 . 1 1 3 3 THR CG2 C 13 19.761 0.059 . 1 . 20 . . . . . . 17443 1 23 . 1 1 3 3 THR C C 13 170.393 0.150 . 1 . 21 . . . . . . 17443 1 24 . 1 1 4 4 PRO CD C 13 48.114 0.047 . 1 . 22 . . . . . . 17443 1 25 . 1 1 4 4 PRO CA C 13 63.438 0.090 . 1 . 23 . . . . . . 17443 1 26 . 1 1 4 4 PRO HA H 1 4.292 0.015 . 1 . 24 . . . . . . 17443 1 27 . 1 1 4 4 PRO CB C 13 29.136 0.033 . 1 . 25 . . . . . . 17443 1 28 . 1 1 4 4 PRO HB2 H 1 2.516 0.007 . 2 . 26 . . . . . . 17443 1 29 . 1 1 4 4 PRO HB3 H 1 2.299 0.006 . 2 . 27 . . . . . . 17443 1 30 . 1 1 4 4 PRO CG C 13 25.382 0.190 . 1 . 28 . . . . . . 17443 1 31 . 1 1 4 4 PRO HG2 H 1 2.397 0.013 . 2 . 29 . . . . . . 17443 1 32 . 1 1 4 4 PRO HG3 H 1 2.133 0.011 . 2 . 30 . . . . . . 17443 1 33 . 1 1 4 4 PRO HD2 H 1 4.153 0.014 . 2 . 31 . . . . . . 17443 1 34 . 1 1 4 4 PRO HD3 H 1 4.000 0.020 . 2 . 32 . . . . . . 17443 1 35 . 1 1 4 4 PRO C C 13 177.381 0.150 . 1 . 33 . . . . . . 17443 1 36 . 1 1 5 5 ALA N N 15 121.069 0.052 . 1 . 34 . . . . . . 17443 1 37 . 1 1 5 5 ALA H H 1 8.974 0.018 . 1 . 35 . . . . . . 17443 1 38 . 1 1 5 5 ALA CA C 13 53.591 0.107 . 1 . 36 . . . . . . 17443 1 39 . 1 1 5 5 ALA HA H 1 4.292 0.012 . 1 . 37 . . . . . . 17443 1 40 . 1 1 5 5 ALA HB1 H 1 1.778 0.003 . 1 . 38 . . . . . . 17443 1 41 . 1 1 5 5 ALA HB2 H 1 1.778 0.003 . 1 . 38 . . . . . . 17443 1 42 . 1 1 5 5 ALA HB3 H 1 1.778 0.003 . 1 . 38 . . . . . . 17443 1 43 . 1 1 5 5 ALA CB C 13 18.005 0.057 . 1 . 39 . . . . . . 17443 1 44 . 1 1 5 5 ALA C C 13 177.234 0.150 . 1 . 40 . . . . . . 17443 1 45 . 1 1 6 6 ARG N N 15 116.610 0.100 . 1 . 41 . . . . . . 17443 1 46 . 1 1 6 6 ARG H H 1 7.552 0.008 . 1 . 42 . . . . . . 17443 1 47 . 1 1 6 6 ARG CA C 13 57.623 0.144 . 1 . 43 . . . . . . 17443 1 48 . 1 1 6 6 ARG HA H 1 3.917 0.015 . 1 . 44 . . . . . . 17443 1 49 . 1 1 6 6 ARG CB C 13 27.449 0.063 . 1 . 45 . . . . . . 17443 1 50 . 1 1 6 6 ARG HB2 H 1 2.138 0.015 . 2 . 46 . . . . . . 17443 1 51 . 1 1 6 6 ARG HB3 H 1 1.739 0.014 . 2 . 47 . . . . . . 17443 1 52 . 1 1 6 6 ARG C C 13 175.914 0.150 . 1 . 48 . . . . . . 17443 1 53 . 1 1 7 7 ARG N N 15 117.836 0.058 . 1 . 49 . . . . . . 17443 1 54 . 1 1 7 7 ARG H H 1 8.340 0.007 . 1 . 50 . . . . . . 17443 1 55 . 1 1 7 7 ARG CA C 13 57.367 0.071 . 1 . 51 . . . . . . 17443 1 56 . 1 1 7 7 ARG HA H 1 4.180 0.016 . 1 . 52 . . . . . . 17443 1 57 . 1 1 7 7 ARG CB C 13 27.792 0.100 . 1 . 53 . . . . . . 17443 1 58 . 1 1 7 7 ARG HB2 H 1 2.006 0.006 . 2 . 54 . . . . . . 17443 1 59 . 1 1 7 7 ARG HB3 H 1 1.923 0.008 . 2 . 55 . . . . . . 17443 1 60 . 1 1 7 7 ARG CG C 13 26.211 0.129 . 1 . 56 . . . . . . 17443 1 61 . 1 1 7 7 ARG HG2 H 1 1.911 0.010 . 2 . 57 . . . . . . 17443 1 62 . 1 1 7 7 ARG HG3 H 1 1.686 0.017 . 2 . 58 . . . . . . 17443 1 63 . 1 1 7 7 ARG CD C 13 41.232 0.096 . 1 . 59 . . . . . . 17443 1 64 . 1 1 7 7 ARG HD2 H 1 3.361 0.017 . 2 . 60 . . . . . . 17443 1 65 . 1 1 7 7 ARG HD3 H 1 3.227 0.014 . 2 . 61 . . . . . . 17443 1 66 . 1 1 7 7 ARG C C 13 177.359 0.150 . 1 . 62 . . . . . . 17443 1 67 . 1 1 8 8 ARG N N 15 121.288 0.045 . 1 . 63 . . . . . . 17443 1 68 . 1 1 8 8 ARG H H 1 8.139 0.009 . 1 . 64 . . . . . . 17443 1 69 . 1 1 8 8 ARG CA C 13 55.305 0.044 . 1 . 65 . . . . . . 17443 1 70 . 1 1 8 8 ARG HA H 1 4.293 0.004 . 1 . 66 . . . . . . 17443 1 71 . 1 1 8 8 ARG CB C 13 26.575 0.001 . 1 . 67 . . . . . . 17443 1 72 . 1 1 8 8 ARG HB2 H 1 2.176 0.015 . 1 . 68 . . . . . . 17443 1 73 . 1 1 8 8 ARG HB3 H 1 2.176 0.015 . 1 . 69 . . . . . . 17443 1 74 . 1 1 8 8 ARG CG C 13 27.473 0.150 . 1 . 70 . . . . . . 17443 1 75 . 1 1 8 8 ARG HG2 H 1 1.460 0.015 . 1 . 71 . . . . . . 17443 1 76 . 1 1 8 8 ARG HG3 H 1 1.460 0.015 . 1 . 72 . . . . . . 17443 1 77 . 1 1 8 8 ARG CD C 13 38.927 0.061 . 1 . 73 . . . . . . 17443 1 78 . 1 1 8 8 ARG HD2 H 1 3.581 0.015 . 2 . 74 . . . . . . 17443 1 79 . 1 1 8 8 ARG HD3 H 1 3.345 0.012 . 2 . 75 . . . . . . 17443 1 80 . 1 1 8 8 ARG C C 13 175.622 0.150 . 1 . 76 . . . . . . 17443 1 81 . 1 1 9 9 LEU N N 15 121.047 0.052 . 1 . 77 . . . . . . 17443 1 82 . 1 1 9 9 LEU H H 1 8.740 0.009 . 1 . 78 . . . . . . 17443 1 83 . 1 1 9 9 LEU CA C 13 55.904 0.025 . 1 . 79 . . . . . . 17443 1 84 . 1 1 9 9 LEU HA H 1 4.207 0.015 . 1 . 80 . . . . . . 17443 1 85 . 1 1 9 9 LEU CB C 13 39.917 0.149 . 1 . 81 . . . . . . 17443 1 86 . 1 1 9 9 LEU HB2 H 1 2.059 0.015 . 2 . 82 . . . . . . 17443 1 87 . 1 1 9 9 LEU HB3 H 1 1.374 0.015 . 2 . 83 . . . . . . 17443 1 88 . 1 1 9 9 LEU CG C 13 24.870 0.097 . 1 . 84 . . . . . . 17443 1 89 . 1 1 9 9 LEU HG H 1 1.502 0.015 . 1 . 85 . . . . . . 17443 1 90 . 1 1 9 9 LEU HD11 H 1 0.494 0.015 . 2 . 86 . . . . . . 17443 1 91 . 1 1 9 9 LEU HD12 H 1 0.494 0.015 . 2 . 86 . . . . . . 17443 1 92 . 1 1 9 9 LEU HD13 H 1 0.494 0.015 . 2 . 86 . . . . . . 17443 1 93 . 1 1 9 9 LEU HD21 H 1 -0.686 0.015 . 2 . 87 . . . . . . 17443 1 94 . 1 1 9 9 LEU HD22 H 1 -0.686 0.015 . 2 . 87 . . . . . . 17443 1 95 . 1 1 9 9 LEU HD23 H 1 -0.686 0.015 . 2 . 87 . . . . . . 17443 1 96 . 1 1 9 9 LEU CD1 C 13 23.336 0.055 . 2 . 88 . . . . . . 17443 1 97 . 1 1 9 9 LEU CD2 C 13 18.726 0.061 . 2 . 89 . . . . . . 17443 1 98 . 1 1 9 9 LEU C C 13 177.159 0.150 . 1 . 90 . . . . . . 17443 1 99 . 1 1 10 10 MET N N 15 117.997 0.150 . 1 . 91 . . . . . . 17443 1 100 . 1 1 10 10 MET H H 1 8.152 0.015 . 1 . 92 . . . . . . 17443 1 101 . 1 1 10 10 MET CA C 13 55.373 0.066 . 1 . 93 . . . . . . 17443 1 102 . 1 1 10 10 MET HA H 1 4.700 0.004 . 1 . 94 . . . . . . 17443 1 103 . 1 1 10 10 MET CB C 13 29.028 0.078 . 1 . 95 . . . . . . 17443 1 104 . 1 1 10 10 MET HB2 H 1 2.303 0.015 . 2 . 96 . . . . . . 17443 1 105 . 1 1 10 10 MET HB3 H 1 2.393 0.015 . 2 . 97 . . . . . . 17443 1 106 . 1 1 10 10 MET CG C 13 30.231 0.113 . 1 . 98 . . . . . . 17443 1 107 . 1 1 10 10 MET HG2 H 1 2.882 0.020 . 2 . 99 . . . . . . 17443 1 108 . 1 1 10 10 MET HG3 H 1 2.812 0.016 . 2 . 100 . . . . . . 17443 1 109 . 1 1 10 10 MET C C 13 177.045 0.150 . 1 . 101 . . . . . . 17443 1 110 . 1 1 11 11 ARG N N 15 123.183 0.069 . 1 . 102 . . . . . . 17443 1 111 . 1 1 11 11 ARG H H 1 7.881 0.003 . 1 . 103 . . . . . . 17443 1 112 . 1 1 11 11 ARG CA C 13 57.328 0.037 . 1 . 104 . . . . . . 17443 1 113 . 1 1 11 11 ARG HA H 1 4.276 0.076 . 1 . 105 . . . . . . 17443 1 114 . 1 1 11 11 ARG CB C 13 27.119 0.085 . 1 . 106 . . . . . . 17443 1 115 . 1 1 11 11 ARG HB2 H 1 2.304 0.003 . 2 . 107 . . . . . . 17443 1 116 . 1 1 11 11 ARG HB3 H 1 1.975 0.007 . 2 . 108 . . . . . . 17443 1 117 . 1 1 11 11 ARG CG C 13 24.744 0.104 . 1 . 109 . . . . . . 17443 1 118 . 1 1 11 11 ARG HG2 H 1 2.073 0.014 . 2 . 110 . . . . . . 17443 1 119 . 1 1 11 11 ARG HG3 H 1 1.788 0.008 . 2 . 111 . . . . . . 17443 1 120 . 1 1 11 11 ARG CD C 13 41.360 0.132 . 1 . 112 . . . . . . 17443 1 121 . 1 1 11 11 ARG HD2 H 1 3.349 0.013 . 1 . 113 . . . . . . 17443 1 122 . 1 1 11 11 ARG HD3 H 1 3.349 0.013 . 1 . 114 . . . . . . 17443 1 123 . 1 1 11 11 ARG C C 13 176.837 0.150 . 1 . 115 . . . . . . 17443 1 124 . 1 1 12 12 ASP N N 15 122.647 0.058 . 1 . 116 . . . . . . 17443 1 125 . 1 1 12 12 ASP H H 1 9.426 0.006 . 1 . 117 . . . . . . 17443 1 126 . 1 1 12 12 ASP CA C 13 55.287 0.067 . 1 . 118 . . . . . . 17443 1 127 . 1 1 12 12 ASP HA H 1 4.543 0.015 . 1 . 119 . . . . . . 17443 1 128 . 1 1 12 12 ASP CB C 13 38.149 0.158 . 1 . 120 . . . . . . 17443 1 129 . 1 1 12 12 ASP HB2 H 1 3.367 0.007 . 2 . 121 . . . . . . 17443 1 130 . 1 1 12 12 ASP HB3 H 1 2.789 0.010 . 2 . 122 . . . . . . 17443 1 131 . 1 1 12 12 ASP C C 13 177.788 0.150 . 1 . 123 . . . . . . 17443 1 132 . 1 1 13 13 PHE N N 15 120.896 0.057 . 1 . 124 . . . . . . 17443 1 133 . 1 1 13 13 PHE H H 1 9.016 0.008 . 1 . 125 . . . . . . 17443 1 134 . 1 1 13 13 PHE CA C 13 56.805 0.121 . 1 . 126 . . . . . . 17443 1 135 . 1 1 13 13 PHE HA H 1 4.850 0.003 . 1 . 127 . . . . . . 17443 1 136 . 1 1 13 13 PHE CB C 13 35.811 0.186 . 1 . 128 . . . . . . 17443 1 137 . 1 1 13 13 PHE HB2 H 1 3.638 0.003 . 2 . 129 . . . . . . 17443 1 138 . 1 1 13 13 PHE HB3 H 1 3.463 0.007 . 2 . 130 . . . . . . 17443 1 139 . 1 1 13 13 PHE HD1 H 1 7.284 0.014 . 3 . 131 . . . . . . 17443 1 140 . 1 1 13 13 PHE HD2 H 1 7.284 0.014 . 3 . 132 . . . . . . 17443 1 141 . 1 1 13 13 PHE HE1 H 1 7.366 0.011 . 3 . 133 . . . . . . 17443 1 142 . 1 1 13 13 PHE HE2 H 1 7.366 0.011 . 3 . 134 . . . . . . 17443 1 143 . 1 1 13 13 PHE HZ H 1 7.040 0.015 . 1 . 135 . . . . . . 17443 1 144 . 1 1 13 13 PHE C C 13 173.934 0.150 . 1 . 136 . . . . . . 17443 1 145 . 1 1 14 14 LYS N N 15 120.702 0.047 . 1 . 137 . . . . . . 17443 1 146 . 1 1 14 14 LYS H H 1 8.180 0.005 . 1 . 138 . . . . . . 17443 1 147 . 1 1 14 14 LYS CA C 13 57.073 0.072 . 1 . 139 . . . . . . 17443 1 148 . 1 1 14 14 LYS HA H 1 3.891 0.008 . 1 . 140 . . . . . . 17443 1 149 . 1 1 14 14 LYS CB C 13 29.568 0.043 . 1 . 141 . . . . . . 17443 1 150 . 1 1 14 14 LYS HB2 H 1 2.088 0.007 . 1 . 142 . . . . . . 17443 1 151 . 1 1 14 14 LYS HB3 H 1 2.088 0.007 . 1 . 143 . . . . . . 17443 1 152 . 1 1 14 14 LYS CG C 13 22.273 0.088 . 1 . 144 . . . . . . 17443 1 153 . 1 1 14 14 LYS HG2 H 1 1.613 0.015 . 2 . 145 . . . . . . 17443 1 154 . 1 1 14 14 LYS HG3 H 1 1.488 0.013 . 2 . 146 . . . . . . 17443 1 155 . 1 1 14 14 LYS CD C 13 26.722 0.109 . 1 . 147 . . . . . . 17443 1 156 . 1 1 14 14 LYS HD2 H 1 1.773 0.032 . 1 . 148 . . . . . . 17443 1 157 . 1 1 14 14 LYS HD3 H 1 1.773 0.032 . 1 . 149 . . . . . . 17443 1 158 . 1 1 14 14 LYS CE C 13 39.617 0.044 . 1 . 150 . . . . . . 17443 1 159 . 1 1 14 14 LYS HE2 H 1 3.076 0.014 . 1 . 151 . . . . . . 17443 1 160 . 1 1 14 14 LYS HE3 H 1 3.076 0.014 . 1 . 152 . . . . . . 17443 1 161 . 1 1 14 14 LYS C C 13 176.410 0.150 . 1 . 153 . . . . . . 17443 1 162 . 1 1 15 15 ARG N N 15 117.707 0.155 . 1 . 154 . . . . . . 17443 1 163 . 1 1 15 15 ARG H H 1 8.136 0.005 . 1 . 155 . . . . . . 17443 1 164 . 1 1 15 15 ARG CA C 13 56.796 0.033 . 1 . 156 . . . . . . 17443 1 165 . 1 1 15 15 ARG HA H 1 4.180 0.015 . 1 . 157 . . . . . . 17443 1 166 . 1 1 15 15 ARG CB C 13 27.447 0.066 . 1 . 158 . . . . . . 17443 1 167 . 1 1 15 15 ARG HB2 H 1 2.076 0.015 . 1 . 159 . . . . . . 17443 1 168 . 1 1 15 15 ARG HB3 H 1 2.076 0.015 . 1 . 160 . . . . . . 17443 1 169 . 1 1 15 15 ARG CG C 13 25.310 0.170 . 1 . 161 . . . . . . 17443 1 170 . 1 1 15 15 ARG HG2 H 1 1.935 0.015 . 2 . 162 . . . . . . 17443 1 171 . 1 1 15 15 ARG HG3 H 1 1.891 0.004 . 2 . 163 . . . . . . 17443 1 172 . 1 1 15 15 ARG CD C 13 40.908 0.084 . 1 . 164 . . . . . . 17443 1 173 . 1 1 15 15 ARG HD2 H 1 3.406 0.006 . 2 . 165 . . . . . . 17443 1 174 . 1 1 15 15 ARG HD3 H 1 3.328 0.005 . 2 . 166 . . . . . . 17443 1 175 . 1 1 15 15 ARG C C 13 176.054 0.150 . 1 . 167 . . . . . . 17443 1 176 . 1 1 16 16 LEU N N 15 119.817 0.066 . 1 . 168 . . . . . . 17443 1 177 . 1 1 16 16 LEU H H 1 7.713 0.023 . 1 . 169 . . . . . . 17443 1 178 . 1 1 16 16 LEU CA C 13 55.248 0.153 . 1 . 170 . . . . . . 17443 1 179 . 1 1 16 16 LEU HA H 1 4.115 0.015 . 1 . 171 . . . . . . 17443 1 180 . 1 1 16 16 LEU CB C 13 39.919 0.056 . 1 . 172 . . . . . . 17443 1 181 . 1 1 16 16 LEU HB2 H 1 2.142 0.030 . 2 . 173 . . . . . . 17443 1 182 . 1 1 16 16 LEU HB3 H 1 1.941 0.015 . 2 . 174 . . . . . . 17443 1 183 . 1 1 16 16 LEU CG C 13 24.900 0.066 . 1 . 175 . . . . . . 17443 1 184 . 1 1 16 16 LEU HG H 1 1.961 0.006 . 1 . 176 . . . . . . 17443 1 185 . 1 1 16 16 LEU HD11 H 1 1.128 0.015 . 2 . 177 . . . . . . 17443 1 186 . 1 1 16 16 LEU HD12 H 1 1.128 0.015 . 2 . 177 . . . . . . 17443 1 187 . 1 1 16 16 LEU HD13 H 1 1.128 0.015 . 2 . 177 . . . . . . 17443 1 188 . 1 1 16 16 LEU HD21 H 1 1.131 0.015 . 2 . 178 . . . . . . 17443 1 189 . 1 1 16 16 LEU HD22 H 1 1.131 0.015 . 2 . 178 . . . . . . 17443 1 190 . 1 1 16 16 LEU HD23 H 1 1.131 0.015 . 2 . 178 . . . . . . 17443 1 191 . 1 1 16 16 LEU CD1 C 13 23.588 0.068 . 2 . 179 . . . . . . 17443 1 192 . 1 1 16 16 LEU CD2 C 13 22.334 0.011 . 2 . 180 . . . . . . 17443 1 193 . 1 1 16 16 LEU C C 13 175.162 0.150 . 1 . 181 . . . . . . 17443 1 194 . 1 1 17 17 GLN N N 15 114.804 0.070 . 1 . 182 . . . . . . 17443 1 195 . 1 1 17 17 GLN H H 1 7.971 0.010 . 1 . 183 . . . . . . 17443 1 196 . 1 1 17 17 GLN CA C 13 55.335 0.044 . 1 . 184 . . . . . . 17443 1 197 . 1 1 17 17 GLN HA H 1 4.102 0.015 . 1 . 185 . . . . . . 17443 1 198 . 1 1 17 17 GLN CB C 13 27.046 0.172 . 1 . 186 . . . . . . 17443 1 199 . 1 1 17 17 GLN HB2 H 1 1.988 0.015 . 1 . 187 . . . . . . 17443 1 200 . 1 1 17 17 GLN HB3 H 1 1.988 0.015 . 1 . 188 . . . . . . 17443 1 201 . 1 1 17 17 GLN CG C 13 31.812 0.058 . 1 . 189 . . . . . . 17443 1 202 . 1 1 17 17 GLN HG2 H 1 2.011 0.011 . 1 . 190 . . . . . . 17443 1 203 . 1 1 17 17 GLN HG3 H 1 2.011 0.011 . 1 . 191 . . . . . . 17443 1 204 . 1 1 17 17 GLN NE2 N 15 111.995 0.001 . 1 . 192 . . . . . . 17443 1 205 . 1 1 17 17 GLN HE21 H 1 6.679 0.001 . 1 . 193 . . . . . . 17443 1 206 . 1 1 17 17 GLN HE22 H 1 6.543 0.002 . 1 . 194 . . . . . . 17443 1 207 . 1 1 17 17 GLN C C 13 175.790 0.150 . 1 . 195 . . . . . . 17443 1 208 . 1 1 18 18 GLU N N 15 117.279 0.034 . 1 . 196 . . . . . . 17443 1 209 . 1 1 18 18 GLU H H 1 8.055 0.017 . 1 . 197 . . . . . . 17443 1 210 . 1 1 18 18 GLU CA C 13 55.424 0.038 . 1 . 198 . . . . . . 17443 1 211 . 1 1 18 18 GLU HA H 1 4.172 0.025 . 1 . 199 . . . . . . 17443 1 212 . 1 1 18 18 GLU CB C 13 27.930 0.008 . 1 . 200 . . . . . . 17443 1 213 . 1 1 18 18 GLU HB2 H 1 2.106 0.006 . 2 . 201 . . . . . . 17443 1 214 . 1 1 18 18 GLU HB3 H 1 2.057 0.005 . 2 . 202 . . . . . . 17443 1 215 . 1 1 18 18 GLU CG C 13 33.996 0.049 . 1 . 203 . . . . . . 17443 1 216 . 1 1 18 18 GLU HG2 H 1 2.507 0.009 . 2 . 204 . . . . . . 17443 1 217 . 1 1 18 18 GLU HG3 H 1 2.336 0.005 . 2 . 205 . . . . . . 17443 1 218 . 1 1 18 18 GLU C C 13 174.198 0.150 . 1 . 206 . . . . . . 17443 1 219 . 1 1 19 19 ASP N N 15 117.559 0.028 . 1 . 207 . . . . . . 17443 1 220 . 1 1 19 19 ASP H H 1 7.919 0.006 . 1 . 208 . . . . . . 17443 1 221 . 1 1 19 19 ASP CA C 13 49.427 0.037 . 1 . 209 . . . . . . 17443 1 222 . 1 1 19 19 ASP HA H 1 5.080 0.015 . 1 . 210 . . . . . . 17443 1 223 . 1 1 19 19 ASP CB C 13 38.617 0.068 . 1 . 211 . . . . . . 17443 1 224 . 1 1 19 19 ASP HB2 H 1 2.853 0.015 . 2 . 212 . . . . . . 17443 1 225 . 1 1 19 19 ASP HB3 H 1 2.478 0.016 . 2 . 213 . . . . . . 17443 1 226 . 1 1 19 19 ASP C C 13 168.958 0.150 . 1 . 214 . . . . . . 17443 1 227 . 1 1 20 20 PRO CD C 13 47.318 0.050 . 1 . 215 . . . . . . 17443 1 228 . 1 1 20 20 PRO CA C 13 59.164 0.045 . 1 . 216 . . . . . . 17443 1 229 . 1 1 20 20 PRO HA H 1 4.894 0.010 . 1 . 217 . . . . . . 17443 1 230 . 1 1 20 20 PRO CB C 13 28.189 0.143 . 1 . 218 . . . . . . 17443 1 231 . 1 1 20 20 PRO HB2 H 1 2.565 0.016 . 2 . 219 . . . . . . 17443 1 232 . 1 1 20 20 PRO HB3 H 1 2.178 0.022 . 2 . 220 . . . . . . 17443 1 233 . 1 1 20 20 PRO CG C 13 24.825 0.001 . 1 . 221 . . . . . . 17443 1 234 . 1 1 20 20 PRO HG2 H 1 2.242 0.012 . 2 . 222 . . . . . . 17443 1 235 . 1 1 20 20 PRO HG3 H 1 2.150 0.015 . 2 . 223 . . . . . . 17443 1 236 . 1 1 20 20 PRO HD2 H 1 3.650 0.009 . 2 . 224 . . . . . . 17443 1 237 . 1 1 20 20 PRO HD3 H 1 3.502 0.016 . 2 . 225 . . . . . . 17443 1 238 . 1 1 21 21 PRO CD C 13 48.101 0.033 . 1 . 226 . . . . . . 17443 1 239 . 1 1 21 21 PRO CA C 13 59.097 0.126 . 1 . 227 . . . . . . 17443 1 240 . 1 1 21 21 PRO HA H 1 4.646 0.028 . 1 . 228 . . . . . . 17443 1 241 . 1 1 21 21 PRO CB C 13 29.142 0.143 . 1 . 229 . . . . . . 17443 1 242 . 1 1 21 21 PRO HB2 H 1 2.439 0.015 . 2 . 230 . . . . . . 17443 1 243 . 1 1 21 21 PRO HB3 H 1 1.788 0.021 . 2 . 231 . . . . . . 17443 1 244 . 1 1 21 21 PRO CG C 13 25.165 0.038 . 1 . 232 . . . . . . 17443 1 245 . 1 1 21 21 PRO HG2 H 1 2.070 0.010 . 2 . 233 . . . . . . 17443 1 246 . 1 1 21 21 PRO HG3 H 1 1.931 0.015 . 2 . 234 . . . . . . 17443 1 247 . 1 1 21 21 PRO HD2 H 1 4.154 0.009 . 2 . 235 . . . . . . 17443 1 248 . 1 1 21 21 PRO HD3 H 1 3.505 0.013 . 2 . 236 . . . . . . 17443 1 249 . 1 1 21 21 PRO C C 13 173.870 0.150 . 1 . 237 . . . . . . 17443 1 250 . 1 1 22 22 VAL N N 15 121.325 0.038 . 1 . 238 . . . . . . 17443 1 251 . 1 1 22 22 VAL H H 1 8.353 0.004 . 1 . 239 . . . . . . 17443 1 252 . 1 1 22 22 VAL CA C 13 61.469 0.114 . 1 . 240 . . . . . . 17443 1 253 . 1 1 22 22 VAL HA H 1 3.942 0.013 . 1 . 241 . . . . . . 17443 1 254 . 1 1 22 22 VAL CB C 13 29.338 0.061 . 1 . 242 . . . . . . 17443 1 255 . 1 1 22 22 VAL HB H 1 2.066 0.015 . 1 . 243 . . . . . . 17443 1 256 . 1 1 22 22 VAL HG11 H 1 1.154 0.015 . 2 . 244 . . . . . . 17443 1 257 . 1 1 22 22 VAL HG12 H 1 1.154 0.015 . 2 . 244 . . . . . . 17443 1 258 . 1 1 22 22 VAL HG13 H 1 1.154 0.015 . 2 . 244 . . . . . . 17443 1 259 . 1 1 22 22 VAL HG21 H 1 1.047 0.015 . 2 . 245 . . . . . . 17443 1 260 . 1 1 22 22 VAL HG22 H 1 1.047 0.015 . 2 . 245 . . . . . . 17443 1 261 . 1 1 22 22 VAL HG23 H 1 1.047 0.015 . 2 . 245 . . . . . . 17443 1 262 . 1 1 22 22 VAL CG1 C 13 19.179 0.065 . 2 . 246 . . . . . . 17443 1 263 . 1 1 22 22 VAL CG2 C 13 18.266 0.088 . 2 . 247 . . . . . . 17443 1 264 . 1 1 22 22 VAL C C 13 175.687 0.150 . 1 . 248 . . . . . . 17443 1 265 . 1 1 23 23 GLY N N 15 113.441 0.150 . 1 . 249 . . . . . . 17443 1 266 . 1 1 23 23 GLY H H 1 8.701 0.015 . 1 . 250 . . . . . . 17443 1 267 . 1 1 23 23 GLY CA C 13 43.727 0.077 . 1 . 251 . . . . . . 17443 1 268 . 1 1 23 23 GLY HA2 H 1 4.230 0.015 . 2 . 252 . . . . . . 17443 1 269 . 1 1 23 23 GLY HA3 H 1 3.677 0.015 . 2 . 253 . . . . . . 17443 1 270 . 1 1 23 23 GLY C C 13 170.015 0.150 . 1 . 254 . . . . . . 17443 1 271 . 1 1 24 24 VAL N N 15 112.365 0.130 . 1 . 255 . . . . . . 17443 1 272 . 1 1 24 24 VAL H H 1 7.388 0.022 . 1 . 256 . . . . . . 17443 1 273 . 1 1 24 24 VAL CA C 13 56.639 0.033 . 1 . 257 . . . . . . 17443 1 274 . 1 1 24 24 VAL HA H 1 5.283 0.001 . 1 . 258 . . . . . . 17443 1 275 . 1 1 24 24 VAL CB C 13 32.800 0.141 . 1 . 259 . . . . . . 17443 1 276 . 1 1 24 24 VAL HB H 1 2.087 0.003 . 1 . 260 . . . . . . 17443 1 277 . 1 1 24 24 VAL HG11 H 1 0.911 0.015 . 2 . 261 . . . . . . 17443 1 278 . 1 1 24 24 VAL HG12 H 1 0.911 0.015 . 2 . 261 . . . . . . 17443 1 279 . 1 1 24 24 VAL HG13 H 1 0.911 0.015 . 2 . 261 . . . . . . 17443 1 280 . 1 1 24 24 VAL HG21 H 1 0.840 0.015 . 2 . 262 . . . . . . 17443 1 281 . 1 1 24 24 VAL HG22 H 1 0.840 0.015 . 2 . 262 . . . . . . 17443 1 282 . 1 1 24 24 VAL HG23 H 1 0.840 0.015 . 2 . 262 . . . . . . 17443 1 283 . 1 1 24 24 VAL CG1 C 13 19.979 0.066 . 2 . 263 . . . . . . 17443 1 284 . 1 1 24 24 VAL CG2 C 13 17.817 0.078 . 2 . 264 . . . . . . 17443 1 285 . 1 1 24 24 VAL C C 13 171.648 0.150 . 1 . 265 . . . . . . 17443 1 286 . 1 1 25 25 SER N N 15 115.382 0.042 . 1 . 266 . . . . . . 17443 1 287 . 1 1 25 25 SER H H 1 8.654 0.006 . 1 . 267 . . . . . . 17443 1 288 . 1 1 25 25 SER CA C 13 54.867 0.105 . 1 . 268 . . . . . . 17443 1 289 . 1 1 25 25 SER HA H 1 4.777 0.007 . 1 . 269 . . . . . . 17443 1 290 . 1 1 25 25 SER CB C 13 62.903 0.126 . 1 . 270 . . . . . . 17443 1 291 . 1 1 25 25 SER HB2 H 1 3.996 0.016 . 2 . 271 . . . . . . 17443 1 292 . 1 1 25 25 SER HB3 H 1 3.875 0.001 . 2 . 272 . . . . . . 17443 1 293 . 1 1 25 25 SER C C 13 170.434 0.150 . 1 . 273 . . . . . . 17443 1 294 . 1 1 26 26 GLY N N 15 107.400 0.060 . 1 . 274 . . . . . . 17443 1 295 . 1 1 26 26 GLY H H 1 8.041 0.011 . 1 . 275 . . . . . . 17443 1 296 . 1 1 26 26 GLY CA C 13 43.706 0.038 . 1 . 276 . . . . . . 17443 1 297 . 1 1 26 26 GLY HA2 H 1 4.050 0.012 . 2 . 277 . . . . . . 17443 1 298 . 1 1 26 26 GLY HA3 H 1 4.934 0.029 . 2 . 278 . . . . . . 17443 1 299 . 1 1 26 26 GLY C C 13 167.788 0.150 . 1 . 279 . . . . . . 17443 1 300 . 1 1 27 27 ALA N N 15 119.085 0.057 . 1 . 280 . . . . . . 17443 1 301 . 1 1 27 27 ALA H H 1 8.595 0.007 . 1 . 281 . . . . . . 17443 1 302 . 1 1 27 27 ALA CA C 13 48.116 0.069 . 1 . 282 . . . . . . 17443 1 303 . 1 1 27 27 ALA HA H 1 4.100 0.015 . 1 . 283 . . . . . . 17443 1 304 . 1 1 27 27 ALA HB1 H 1 1.285 0.024 . 1 . 284 . . . . . . 17443 1 305 . 1 1 27 27 ALA HB2 H 1 1.285 0.024 . 1 . 284 . . . . . . 17443 1 306 . 1 1 27 27 ALA HB3 H 1 1.285 0.024 . 1 . 284 . . . . . . 17443 1 307 . 1 1 27 27 ALA CB C 13 18.035 0.055 . 1 . 285 . . . . . . 17443 1 308 . 1 1 27 27 ALA C C 13 170.771 0.150 . 1 . 286 . . . . . . 17443 1 309 . 1 1 28 28 PRO CD C 13 46.146 0.053 . 1 . 287 . . . . . . 17443 1 310 . 1 1 28 28 PRO CA C 13 59.148 0.095 . 1 . 288 . . . . . . 17443 1 311 . 1 1 28 28 PRO HA H 1 3.844 0.015 . 1 . 289 . . . . . . 17443 1 312 . 1 1 28 28 PRO CB C 13 29.279 0.090 . 1 . 290 . . . . . . 17443 1 313 . 1 1 28 28 PRO HB2 H 1 1.482 0.015 . 2 . 291 . . . . . . 17443 1 314 . 1 1 28 28 PRO HB3 H 1 1.405 0.015 . 2 . 292 . . . . . . 17443 1 315 . 1 1 28 28 PRO CG C 13 23.355 0.126 . 1 . 293 . . . . . . 17443 1 316 . 1 1 28 28 PRO HG2 H 1 1.070 0.009 . 2 . 294 . . . . . . 17443 1 317 . 1 1 28 28 PRO HG3 H 1 0.552 0.015 . 2 . 295 . . . . . . 17443 1 318 . 1 1 28 28 PRO HD2 H 1 1.999 0.015 . 2 . 296 . . . . . . 17443 1 319 . 1 1 28 28 PRO HD3 H 1 0.994 0.015 . 2 . 297 . . . . . . 17443 1 320 . 1 1 28 28 PRO C C 13 173.747 0.150 . 1 . 298 . . . . . . 17443 1 321 . 1 1 29 29 SER N N 15 118.505 0.071 . 1 . 299 . . . . . . 17443 1 322 . 1 1 29 29 SER H H 1 8.841 0.007 . 1 . 300 . . . . . . 17443 1 323 . 1 1 29 29 SER CA C 13 56.064 0.036 . 1 . 301 . . . . . . 17443 1 324 . 1 1 29 29 SER HA H 1 4.333 0.015 . 1 . 302 . . . . . . 17443 1 325 . 1 1 29 29 SER CB C 13 61.587 0.034 . 1 . 303 . . . . . . 17443 1 326 . 1 1 29 29 SER HB2 H 1 4.081 0.015 . 2 . 304 . . . . . . 17443 1 327 . 1 1 29 29 SER HB3 H 1 4.170 0.015 . 2 . 305 . . . . . . 17443 1 328 . 1 1 29 29 SER C C 13 172.137 0.150 . 1 . 306 . . . . . . 17443 1 329 . 1 1 30 30 GLU N N 15 122.531 0.150 . 1 . 307 . . . . . . 17443 1 330 . 1 1 30 30 GLU H H 1 8.785 0.015 . 1 . 308 . . . . . . 17443 1 331 . 1 1 30 30 GLU CA C 13 52.125 0.150 . 1 . 309 . . . . . . 17443 1 332 . 1 1 30 30 GLU HA H 1 3.897 0.015 . 1 . 310 . . . . . . 17443 1 333 . 1 1 30 30 GLU CB C 13 28.585 0.150 . 1 . 311 . . . . . . 17443 1 334 . 1 1 30 30 GLU HB2 H 1 2.967 0.015 . 2 . 312 . . . . . . 17443 1 335 . 1 1 30 30 GLU HB3 H 1 2.233 0.015 . 2 . 313 . . . . . . 17443 1 336 . 1 1 30 30 GLU CG C 13 29.197 0.150 . 1 . 314 . . . . . . 17443 1 337 . 1 1 31 31 ASN N N 15 120.004 0.150 . 1 . 315 . . . . . . 17443 1 338 . 1 1 31 31 ASN H H 1 8.068 0.001 . 1 . 316 . . . . . . 17443 1 339 . 1 1 31 31 ASN CA C 13 52.500 0.150 . 1 . 317 . . . . . . 17443 1 340 . 1 1 31 31 ASN HA H 1 4.645 0.015 . 1 . 318 . . . . . . 17443 1 341 . 1 1 31 31 ASN CB C 13 38.770 0.017 . 1 . 319 . . . . . . 17443 1 342 . 1 1 31 31 ASN HB2 H 1 2.908 0.009 . 2 . 320 . . . . . . 17443 1 343 . 1 1 31 31 ASN HB3 H 1 2.763 0.008 . 2 . 321 . . . . . . 17443 1 344 . 1 1 31 31 ASN C C 13 173.126 0.150 . 1 . 322 . . . . . . 17443 1 345 . 1 1 32 32 ASN N N 15 126.565 0.150 . 1 . 323 . . . . . . 17443 1 346 . 1 1 32 32 ASN H H 1 8.346 0.001 . 1 . 324 . . . . . . 17443 1 347 . 1 1 33 33 ILE CA C 13 59.550 0.213 . 1 . 325 . . . . . . 17443 1 348 . 1 1 33 33 ILE HA H 1 4.113 0.007 . 1 . 326 . . . . . . 17443 1 349 . 1 1 33 33 ILE CB C 13 36.255 0.056 . 1 . 327 . . . . . . 17443 1 350 . 1 1 33 33 ILE HB H 1 1.927 0.009 . 1 . 328 . . . . . . 17443 1 351 . 1 1 33 33 ILE HG21 H 1 1.026 0.014 . 1 . 329 . . . . . . 17443 1 352 . 1 1 33 33 ILE HG22 H 1 1.026 0.014 . 1 . 329 . . . . . . 17443 1 353 . 1 1 33 33 ILE HG23 H 1 1.026 0.014 . 1 . 329 . . . . . . 17443 1 354 . 1 1 33 33 ILE CG2 C 13 14.886 0.127 . 1 . 330 . . . . . . 17443 1 355 . 1 1 33 33 ILE CG1 C 13 26.983 0.037 . 1 . 331 . . . . . . 17443 1 356 . 1 1 33 33 ILE HG12 H 1 1.578 0.015 . 2 . 332 . . . . . . 17443 1 357 . 1 1 33 33 ILE HG13 H 1 1.108 0.015 . 2 . 333 . . . . . . 17443 1 358 . 1 1 33 33 ILE HD11 H 1 0.951 0.012 . 1 . 334 . . . . . . 17443 1 359 . 1 1 33 33 ILE HD12 H 1 0.951 0.012 . 1 . 334 . . . . . . 17443 1 360 . 1 1 33 33 ILE HD13 H 1 0.951 0.012 . 1 . 334 . . . . . . 17443 1 361 . 1 1 33 33 ILE CD1 C 13 11.831 0.150 . 1 . 335 . . . . . . 17443 1 362 . 1 1 33 33 ILE C C 13 170.815 0.150 . 1 . 336 . . . . . . 17443 1 363 . 1 1 34 34 MET N N 15 113.223 0.019 . 1 . 337 . . . . . . 17443 1 364 . 1 1 34 34 MET H H 1 7.639 0.003 . 1 . 338 . . . . . . 17443 1 365 . 1 1 34 34 MET CA C 13 51.975 0.067 . 1 . 339 . . . . . . 17443 1 366 . 1 1 34 34 MET HA H 1 4.728 0.010 . 1 . 340 . . . . . . 17443 1 367 . 1 1 34 34 MET CB C 13 28.629 0.135 . 1 . 341 . . . . . . 17443 1 368 . 1 1 34 34 MET HB2 H 1 2.420 0.009 . 2 . 342 . . . . . . 17443 1 369 . 1 1 34 34 MET HB3 H 1 2.197 0.015 . 2 . 343 . . . . . . 17443 1 370 . 1 1 34 34 MET CG C 13 30.474 0.134 . 1 . 344 . . . . . . 17443 1 371 . 1 1 34 34 MET HG2 H 1 2.794 0.015 . 2 . 345 . . . . . . 17443 1 372 . 1 1 34 34 MET HG3 H 1 2.404 0.020 . 2 . 346 . . . . . . 17443 1 373 . 1 1 34 34 MET C C 13 173.510 0.150 . 1 . 347 . . . . . . 17443 1 374 . 1 1 35 35 GLN N N 15 119.902 0.182 . 1 . 348 . . . . . . 17443 1 375 . 1 1 35 35 GLN H H 1 7.933 0.009 . 1 . 349 . . . . . . 17443 1 376 . 1 1 35 35 GLN CA C 13 52.718 0.147 . 1 . 350 . . . . . . 17443 1 377 . 1 1 35 35 GLN HA H 1 5.478 0.015 . 1 . 351 . . . . . . 17443 1 378 . 1 1 35 35 GLN CB C 13 29.254 0.142 . 1 . 352 . . . . . . 17443 1 379 . 1 1 35 35 GLN HB2 H 1 2.037 0.015 . 2 . 353 . . . . . . 17443 1 380 . 1 1 35 35 GLN HB3 H 1 2.157 0.032 . 2 . 354 . . . . . . 17443 1 381 . 1 1 35 35 GLN CG C 13 32.180 0.078 . 1 . 355 . . . . . . 17443 1 382 . 1 1 35 35 GLN HG2 H 1 2.340 0.014 . 2 . 356 . . . . . . 17443 1 383 . 1 1 35 35 GLN HG3 H 1 2.110 0.008 . 2 . 357 . . . . . . 17443 1 384 . 1 1 35 35 GLN NE2 N 15 112.190 0.015 . 1 . 358 . . . . . . 17443 1 385 . 1 1 35 35 GLN HE21 H 1 7.556 0.001 . 1 . 359 . . . . . . 17443 1 386 . 1 1 35 35 GLN HE22 H 1 6.815 0.001 . 1 . 360 . . . . . . 17443 1 387 . 1 1 35 35 GLN C C 13 171.375 0.150 . 1 . 361 . . . . . . 17443 1 388 . 1 1 36 36 TRP N N 15 126.267 0.111 . 1 . 362 . . . . . . 17443 1 389 . 1 1 36 36 TRP H H 1 9.994 0.023 . 1 . 363 . . . . . . 17443 1 390 . 1 1 36 36 TRP CA C 13 52.770 0.093 . 1 . 364 . . . . . . 17443 1 391 . 1 1 36 36 TRP HA H 1 5.492 0.019 . 1 . 365 . . . . . . 17443 1 392 . 1 1 36 36 TRP CB C 13 28.767 0.118 . 1 . 366 . . . . . . 17443 1 393 . 1 1 36 36 TRP HB2 H 1 3.128 0.006 . 2 . 367 . . . . . . 17443 1 394 . 1 1 36 36 TRP HB3 H 1 3.033 0.015 . 2 . 368 . . . . . . 17443 1 395 . 1 1 36 36 TRP NE1 N 15 130.678 0.150 . 1 . 369 . . . . . . 17443 1 396 . 1 1 36 36 TRP HD1 H 1 7.177 0.006 . 1 . 370 . . . . . . 17443 1 397 . 1 1 36 36 TRP HE3 H 1 6.963 0.001 . 1 . 371 . . . . . . 17443 1 398 . 1 1 36 36 TRP HE1 H 1 9.495 0.007 . 1 . 372 . . . . . . 17443 1 399 . 1 1 36 36 TRP HZ2 H 1 7.422 0.008 . 1 . 373 . . . . . . 17443 1 400 . 1 1 36 36 TRP HH2 H 1 7.306 0.005 . 1 . 374 . . . . . . 17443 1 401 . 1 1 36 36 TRP C C 13 172.681 0.150 . 1 . 375 . . . . . . 17443 1 402 . 1 1 37 37 ASN N N 15 118.285 0.045 . 1 . 376 . . . . . . 17443 1 403 . 1 1 37 37 ASN H H 1 8.431 0.005 . 1 . 377 . . . . . . 17443 1 404 . 1 1 37 37 ASN CA C 13 49.964 0.064 . 1 . 378 . . . . . . 17443 1 405 . 1 1 37 37 ASN HA H 1 5.521 0.015 . 1 . 379 . . . . . . 17443 1 406 . 1 1 37 37 ASN CB C 13 38.865 0.046 . 1 . 380 . . . . . . 17443 1 407 . 1 1 37 37 ASN HB2 H 1 2.798 0.009 . 2 . 381 . . . . . . 17443 1 408 . 1 1 37 37 ASN HB3 H 1 2.938 0.008 . 2 . 382 . . . . . . 17443 1 409 . 1 1 37 37 ASN C C 13 171.168 0.150 . 1 . 383 . . . . . . 17443 1 410 . 1 1 38 38 ALA N N 15 123.111 0.037 . 1 . 384 . . . . . . 17443 1 411 . 1 1 38 38 ALA H H 1 8.756 0.016 . 1 . 385 . . . . . . 17443 1 412 . 1 1 38 38 ALA CA C 13 48.331 0.027 . 1 . 386 . . . . . . 17443 1 413 . 1 1 38 38 ALA HA H 1 5.492 0.015 . 1 . 387 . . . . . . 17443 1 414 . 1 1 38 38 ALA HB1 H 1 1.443 0.015 . 1 . 388 . . . . . . 17443 1 415 . 1 1 38 38 ALA HB2 H 1 1.443 0.015 . 1 . 388 . . . . . . 17443 1 416 . 1 1 38 38 ALA HB3 H 1 1.443 0.015 . 1 . 388 . . . . . . 17443 1 417 . 1 1 38 38 ALA CB C 13 21.683 0.042 . 1 . 389 . . . . . . 17443 1 418 . 1 1 38 38 ALA C C 13 172.858 0.150 . 1 . 390 . . . . . . 17443 1 419 . 1 1 39 39 VAL N N 15 121.300 0.011 . 1 . 391 . . . . . . 17443 1 420 . 1 1 39 39 VAL H H 1 8.919 0.006 . 1 . 392 . . . . . . 17443 1 421 . 1 1 39 39 VAL CA C 13 58.242 0.029 . 1 . 393 . . . . . . 17443 1 422 . 1 1 39 39 VAL HA H 1 5.152 0.008 . 1 . 394 . . . . . . 17443 1 423 . 1 1 39 39 VAL CB C 13 32.758 0.089 . 1 . 395 . . . . . . 17443 1 424 . 1 1 39 39 VAL HB H 1 1.826 0.006 . 1 . 396 . . . . . . 17443 1 425 . 1 1 39 39 VAL HG11 H 1 0.863 0.010 . 2 . 397 . . . . . . 17443 1 426 . 1 1 39 39 VAL HG12 H 1 0.863 0.010 . 2 . 397 . . . . . . 17443 1 427 . 1 1 39 39 VAL HG13 H 1 0.863 0.010 . 2 . 397 . . . . . . 17443 1 428 . 1 1 39 39 VAL HG21 H 1 0.659 0.010 . 2 . 398 . . . . . . 17443 1 429 . 1 1 39 39 VAL HG22 H 1 0.659 0.010 . 2 . 398 . . . . . . 17443 1 430 . 1 1 39 39 VAL HG23 H 1 0.659 0.010 . 2 . 398 . . . . . . 17443 1 431 . 1 1 39 39 VAL CG1 C 13 19.041 0.053 . 2 . 399 . . . . . . 17443 1 432 . 1 1 39 39 VAL CG2 C 13 18.500 0.070 . 2 . 400 . . . . . . 17443 1 433 . 1 1 39 39 VAL C C 13 172.280 0.150 . 1 . 401 . . . . . . 17443 1 434 . 1 1 40 40 ILE N N 15 122.224 0.062 . 1 . 402 . . . . . . 17443 1 435 . 1 1 40 40 ILE H H 1 8.967 0.009 . 1 . 403 . . . . . . 17443 1 436 . 1 1 40 40 ILE CA C 13 56.486 0.093 . 1 . 404 . . . . . . 17443 1 437 . 1 1 40 40 ILE HA H 1 4.992 0.017 . 1 . 405 . . . . . . 17443 1 438 . 1 1 40 40 ILE CB C 13 39.303 0.128 . 1 . 406 . . . . . . 17443 1 439 . 1 1 40 40 ILE HB H 1 1.863 0.008 . 1 . 407 . . . . . . 17443 1 440 . 1 1 40 40 ILE HG21 H 1 1.010 0.028 . 1 . 408 . . . . . . 17443 1 441 . 1 1 40 40 ILE HG22 H 1 1.010 0.028 . 1 . 408 . . . . . . 17443 1 442 . 1 1 40 40 ILE HG23 H 1 1.010 0.028 . 1 . 408 . . . . . . 17443 1 443 . 1 1 40 40 ILE CG2 C 13 15.139 0.129 . 1 . 409 . . . . . . 17443 1 444 . 1 1 40 40 ILE CG1 C 13 24.394 0.072 . 1 . 410 . . . . . . 17443 1 445 . 1 1 40 40 ILE HG12 H 1 1.710 0.016 . 2 . 411 . . . . . . 17443 1 446 . 1 1 40 40 ILE HG13 H 1 1.262 0.015 . 2 . 412 . . . . . . 17443 1 447 . 1 1 40 40 ILE HD11 H 1 0.867 0.005 . 1 . 413 . . . . . . 17443 1 448 . 1 1 40 40 ILE HD12 H 1 0.867 0.005 . 1 . 413 . . . . . . 17443 1 449 . 1 1 40 40 ILE HD13 H 1 0.867 0.005 . 1 . 413 . . . . . . 17443 1 450 . 1 1 40 40 ILE CD1 C 13 11.967 0.112 . 1 . 414 . . . . . . 17443 1 451 . 1 1 40 40 ILE C C 13 172.478 0.150 . 1 . 415 . . . . . . 17443 1 452 . 1 1 41 41 PHE N N 15 126.054 0.061 . 1 . 416 . . . . . . 17443 1 453 . 1 1 41 41 PHE H H 1 9.032 0.020 . 1 . 417 . . . . . . 17443 1 454 . 1 1 41 41 PHE CA C 13 52.535 0.099 . 1 . 418 . . . . . . 17443 1 455 . 1 1 41 41 PHE HA H 1 5.495 0.031 . 1 . 419 . . . . . . 17443 1 456 . 1 1 41 41 PHE CB C 13 35.991 0.087 . 1 . 420 . . . . . . 17443 1 457 . 1 1 41 41 PHE HB2 H 1 3.321 0.015 . 2 . 421 . . . . . . 17443 1 458 . 1 1 41 41 PHE HB3 H 1 3.180 0.015 . 2 . 422 . . . . . . 17443 1 459 . 1 1 41 41 PHE HD1 H 1 7.278 0.015 . 3 . 423 . . . . . . 17443 1 460 . 1 1 41 41 PHE HD2 H 1 7.278 0.015 . 3 . 424 . . . . . . 17443 1 461 . 1 1 41 41 PHE HE1 H 1 6.819 0.009 . 3 . 425 . . . . . . 17443 1 462 . 1 1 41 41 PHE HE2 H 1 6.819 0.009 . 3 . 426 . . . . . . 17443 1 463 . 1 1 41 41 PHE HZ H 1 6.605 0.002 . 1 . 427 . . . . . . 17443 1 464 . 1 1 42 42 GLY N N 15 113.002 0.150 . 1 . 428 . . . . . . 17443 1 465 . 1 1 42 42 GLY H H 1 6.929 0.015 . 1 . 429 . . . . . . 17443 1 466 . 1 1 42 42 GLY CA C 13 43.236 0.014 . 1 . 430 . . . . . . 17443 1 467 . 1 1 42 42 GLY HA2 H 1 4.095 0.007 . 2 . 431 . . . . . . 17443 1 468 . 1 1 42 42 GLY HA3 H 1 3.983 0.012 . 2 . 432 . . . . . . 17443 1 469 . 1 1 43 43 PRO CD C 13 49.190 0.041 . 1 . 433 . . . . . . 17443 1 470 . 1 1 43 43 PRO CA C 13 60.465 0.081 . 1 . 434 . . . . . . 17443 1 471 . 1 1 43 43 PRO HA H 1 4.598 0.018 . 1 . 435 . . . . . . 17443 1 472 . 1 1 43 43 PRO CB C 13 29.087 0.146 . 1 . 436 . . . . . . 17443 1 473 . 1 1 43 43 PRO HB2 H 1 2.464 0.015 . 2 . 437 . . . . . . 17443 1 474 . 1 1 43 43 PRO HB3 H 1 2.139 0.011 . 2 . 438 . . . . . . 17443 1 475 . 1 1 43 43 PRO CG C 13 25.050 0.106 . 1 . 439 . . . . . . 17443 1 476 . 1 1 43 43 PRO HG2 H 1 2.311 0.015 . 2 . 440 . . . . . . 17443 1 477 . 1 1 43 43 PRO HG3 H 1 2.131 0.015 . 2 . 441 . . . . . . 17443 1 478 . 1 1 43 43 PRO HD2 H 1 4.052 0.018 . 2 . 442 . . . . . . 17443 1 479 . 1 1 43 43 PRO HD3 H 1 3.605 0.012 . 2 . 443 . . . . . . 17443 1 480 . 1 1 43 43 PRO C C 13 174.430 0.150 . 1 . 444 . . . . . . 17443 1 481 . 1 1 44 44 GLU N N 15 124.952 0.088 . 1 . 445 . . . . . . 17443 1 482 . 1 1 44 44 GLU H H 1 8.917 0.014 . 1 . 446 . . . . . . 17443 1 483 . 1 1 44 44 GLU CA C 13 55.115 0.022 . 1 . 447 . . . . . . 17443 1 484 . 1 1 44 44 GLU HA H 1 4.135 0.002 . 1 . 448 . . . . . . 17443 1 485 . 1 1 44 44 GLU CB C 13 27.404 0.090 . 1 . 449 . . . . . . 17443 1 486 . 1 1 44 44 GLU HB2 H 1 2.128 0.017 . 1 . 450 . . . . . . 17443 1 487 . 1 1 44 44 GLU HB3 H 1 2.128 0.017 . 1 . 451 . . . . . . 17443 1 488 . 1 1 44 44 GLU CG C 13 33.799 0.100 . 1 . 452 . . . . . . 17443 1 489 . 1 1 44 44 GLU HG2 H 1 2.461 0.009 . 2 . 453 . . . . . . 17443 1 490 . 1 1 44 44 GLU HG3 H 1 2.378 0.014 . 2 . 454 . . . . . . 17443 1 491 . 1 1 44 44 GLU C C 13 175.040 0.150 . 1 . 455 . . . . . . 17443 1 492 . 1 1 45 45 GLY N N 15 112.202 0.023 . 1 . 456 . . . . . . 17443 1 493 . 1 1 45 45 GLY H H 1 9.566 0.018 . 1 . 457 . . . . . . 17443 1 494 . 1 1 45 45 GLY CA C 13 43.265 0.048 . 1 . 458 . . . . . . 17443 1 495 . 1 1 45 45 GLY HA2 H 1 4.288 0.007 . 2 . 459 . . . . . . 17443 1 496 . 1 1 45 45 GLY HA3 H 1 3.936 0.001 . 2 . 460 . . . . . . 17443 1 497 . 1 1 45 45 GLY C C 13 171.461 0.150 . 1 . 461 . . . . . . 17443 1 498 . 1 1 46 46 THR N N 15 108.935 0.018 . 1 . 462 . . . . . . 17443 1 499 . 1 1 46 46 THR H H 1 7.563 0.009 . 1 . 463 . . . . . . 17443 1 500 . 1 1 46 46 THR CA C 13 57.017 0.063 . 1 . 464 . . . . . . 17443 1 501 . 1 1 46 46 THR HA H 1 5.341 0.031 . 1 . 465 . . . . . . 17443 1 502 . 1 1 46 46 THR CB C 13 68.716 0.044 . 1 . 466 . . . . . . 17443 1 503 . 1 1 46 46 THR HB H 1 4.909 0.024 . 1 . 467 . . . . . . 17443 1 504 . 1 1 46 46 THR HG21 H 1 1.415 0.015 . 1 . 468 . . . . . . 17443 1 505 . 1 1 46 46 THR HG22 H 1 1.415 0.015 . 1 . 468 . . . . . . 17443 1 506 . 1 1 46 46 THR HG23 H 1 1.415 0.015 . 1 . 468 . . . . . . 17443 1 507 . 1 1 46 46 THR CG2 C 13 19.575 0.043 . 1 . 469 . . . . . . 17443 1 508 . 1 1 46 46 THR C C 13 172.687 0.150 . 1 . 470 . . . . . . 17443 1 509 . 1 1 47 47 PRO CD C 13 48.368 0.068 . 1 . 471 . . . . . . 17443 1 510 . 1 1 47 47 PRO CA C 13 61.767 0.068 . 1 . 472 . . . . . . 17443 1 511 . 1 1 47 47 PRO HA H 1 4.611 0.035 . 1 . 473 . . . . . . 17443 1 512 . 1 1 47 47 PRO CB C 13 28.736 0.077 . 1 . 474 . . . . . . 17443 1 513 . 1 1 47 47 PRO HB2 H 1 2.338 0.004 . 2 . 475 . . . . . . 17443 1 514 . 1 1 47 47 PRO HB3 H 1 1.634 0.009 . 2 . 476 . . . . . . 17443 1 515 . 1 1 47 47 PRO CG C 13 24.881 0.150 . 1 . 477 . . . . . . 17443 1 516 . 1 1 47 47 PRO HG2 H 1 2.074 0.015 . 2 . 478 . . . . . . 17443 1 517 . 1 1 47 47 PRO HG3 H 1 1.985 0.015 . 2 . 479 . . . . . . 17443 1 518 . 1 1 47 47 PRO HD2 H 1 3.875 0.005 . 2 . 480 . . . . . . 17443 1 519 . 1 1 47 47 PRO HD3 H 1 3.691 0.021 . 2 . 481 . . . . . . 17443 1 520 . 1 1 47 47 PRO C C 13 172.816 0.150 . 1 . 482 . . . . . . 17443 1 521 . 1 1 48 48 PHE N N 15 112.687 0.081 . 1 . 483 . . . . . . 17443 1 522 . 1 1 48 48 PHE H H 1 7.456 0.010 . 1 . 484 . . . . . . 17443 1 523 . 1 1 48 48 PHE CA C 13 56.082 0.078 . 1 . 485 . . . . . . 17443 1 524 . 1 1 48 48 PHE HA H 1 4.228 0.015 . 1 . 486 . . . . . . 17443 1 525 . 1 1 48 48 PHE CB C 13 37.560 0.040 . 1 . 487 . . . . . . 17443 1 526 . 1 1 48 48 PHE HB2 H 1 3.581 0.015 . 2 . 488 . . . . . . 17443 1 527 . 1 1 48 48 PHE HB3 H 1 2.799 0.008 . 2 . 489 . . . . . . 17443 1 528 . 1 1 48 48 PHE HD1 H 1 7.199 0.009 . 3 . 490 . . . . . . 17443 1 529 . 1 1 48 48 PHE HD2 H 1 7.199 0.009 . 3 . 491 . . . . . . 17443 1 530 . 1 1 48 48 PHE HE1 H 1 7.595 0.022 . 3 . 492 . . . . . . 17443 1 531 . 1 1 48 48 PHE HE2 H 1 7.595 0.022 . 3 . 493 . . . . . . 17443 1 532 . 1 1 48 48 PHE C C 13 171.926 0.150 . 1 . 494 . . . . . . 17443 1 533 . 1 1 49 49 GLU N N 15 123.441 0.115 . 1 . 495 . . . . . . 17443 1 534 . 1 1 49 49 GLU H H 1 7.627 0.007 . 1 . 496 . . . . . . 17443 1 535 . 1 1 49 49 GLU CA C 13 56.160 0.053 . 1 . 497 . . . . . . 17443 1 536 . 1 1 49 49 GLU HA H 1 3.696 0.006 . 1 . 498 . . . . . . 17443 1 537 . 1 1 49 49 GLU CB C 13 27.785 0.059 . 1 . 499 . . . . . . 17443 1 538 . 1 1 49 49 GLU HB2 H 1 2.556 0.015 . 2 . 500 . . . . . . 17443 1 539 . 1 1 49 49 GLU HB3 H 1 2.166 0.012 . 2 . 501 . . . . . . 17443 1 540 . 1 1 49 49 GLU CG C 13 33.297 0.181 . 1 . 502 . . . . . . 17443 1 541 . 1 1 49 49 GLU HG2 H 1 2.420 0.010 . 2 . 503 . . . . . . 17443 1 542 . 1 1 49 49 GLU HG3 H 1 2.299 0.010 . 2 . 504 . . . . . . 17443 1 543 . 1 1 49 49 GLU C C 13 172.739 0.150 . 1 . 505 . . . . . . 17443 1 544 . 1 1 50 50 ASP N N 15 117.345 0.078 . 1 . 506 . . . . . . 17443 1 545 . 1 1 50 50 ASP H H 1 8.783 0.010 . 1 . 507 . . . . . . 17443 1 546 . 1 1 50 50 ASP CA C 13 54.505 0.100 . 1 . 508 . . . . . . 17443 1 547 . 1 1 50 50 ASP HA H 1 4.574 0.008 . 1 . 509 . . . . . . 17443 1 548 . 1 1 50 50 ASP CB C 13 37.061 0.086 . 1 . 510 . . . . . . 17443 1 549 . 1 1 50 50 ASP HB2 H 1 3.454 0.009 . 2 . 511 . . . . . . 17443 1 550 . 1 1 50 50 ASP HB3 H 1 3.111 0.015 . 2 . 512 . . . . . . 17443 1 551 . 1 1 50 50 ASP C C 13 174.771 0.150 . 1 . 513 . . . . . . 17443 1 552 . 1 1 51 51 GLY N N 15 108.750 0.069 . 1 . 514 . . . . . . 17443 1 553 . 1 1 51 51 GLY H H 1 8.866 0.019 . 1 . 515 . . . . . . 17443 1 554 . 1 1 51 51 GLY CA C 13 43.580 0.138 . 1 . 516 . . . . . . 17443 1 555 . 1 1 51 51 GLY HA2 H 1 3.977 0.005 . 2 . 517 . . . . . . 17443 1 556 . 1 1 51 51 GLY HA3 H 1 3.498 0.005 . 2 . 518 . . . . . . 17443 1 557 . 1 1 51 51 GLY C C 13 169.843 0.150 . 1 . 519 . . . . . . 17443 1 558 . 1 1 52 52 THR N N 15 117.162 0.106 . 1 . 520 . . . . . . 17443 1 559 . 1 1 52 52 THR H H 1 7.957 0.015 . 1 . 521 . . . . . . 17443 1 560 . 1 1 52 52 THR CA C 13 56.062 0.093 . 1 . 522 . . . . . . 17443 1 561 . 1 1 52 52 THR HA H 1 4.299 0.015 . 1 . 523 . . . . . . 17443 1 562 . 1 1 52 52 THR CB C 13 67.303 0.038 . 1 . 524 . . . . . . 17443 1 563 . 1 1 52 52 THR HB H 1 3.879 0.015 . 1 . 525 . . . . . . 17443 1 564 . 1 1 52 52 THR HG21 H 1 0.856 0.015 . 1 . 526 . . . . . . 17443 1 565 . 1 1 52 52 THR HG22 H 1 0.856 0.015 . 1 . 526 . . . . . . 17443 1 566 . 1 1 52 52 THR HG23 H 1 0.856 0.015 . 1 . 526 . . . . . . 17443 1 567 . 1 1 52 52 THR CG2 C 13 18.479 0.058 . 1 . 527 . . . . . . 17443 1 568 . 1 1 52 52 THR C C 13 171.539 0.150 . 1 . 528 . . . . . . 17443 1 569 . 1 1 53 53 PHE N N 15 123.209 0.038 . 1 . 529 . . . . . . 17443 1 570 . 1 1 53 53 PHE H H 1 8.576 0.005 . 1 . 530 . . . . . . 17443 1 571 . 1 1 53 53 PHE CA C 13 54.118 0.067 . 1 . 531 . . . . . . 17443 1 572 . 1 1 53 53 PHE HA H 1 5.074 0.002 . 1 . 532 . . . . . . 17443 1 573 . 1 1 53 53 PHE CB C 13 38.295 0.008 . 1 . 533 . . . . . . 17443 1 574 . 1 1 53 53 PHE HB2 H 1 3.207 0.014 . 2 . 534 . . . . . . 17443 1 575 . 1 1 53 53 PHE HB3 H 1 3.139 0.011 . 2 . 535 . . . . . . 17443 1 576 . 1 1 53 53 PHE HD1 H 1 7.268 0.011 . 3 . 536 . . . . . . 17443 1 577 . 1 1 53 53 PHE HD2 H 1 7.268 0.011 . 3 . 537 . . . . . . 17443 1 578 . 1 1 53 53 PHE HE1 H 1 7.445 0.008 . 3 . 538 . . . . . . 17443 1 579 . 1 1 53 53 PHE HE2 H 1 7.445 0.008 . 3 . 539 . . . . . . 17443 1 580 . 1 1 53 53 PHE C C 13 171.541 0.150 . 1 . 540 . . . . . . 17443 1 581 . 1 1 54 54 LYS N N 15 122.641 0.085 . 1 . 541 . . . . . . 17443 1 582 . 1 1 54 54 LYS H H 1 9.354 0.008 . 1 . 542 . . . . . . 17443 1 583 . 1 1 54 54 LYS CA C 13 53.374 0.080 . 1 . 543 . . . . . . 17443 1 584 . 1 1 54 54 LYS HA H 1 5.225 0.015 . 1 . 544 . . . . . . 17443 1 585 . 1 1 54 54 LYS CB C 13 31.890 0.072 . 1 . 545 . . . . . . 17443 1 586 . 1 1 54 54 LYS HB2 H 1 2.112 0.015 . 2 . 546 . . . . . . 17443 1 587 . 1 1 54 54 LYS HB3 H 1 1.952 0.015 . 2 . 547 . . . . . . 17443 1 588 . 1 1 54 54 LYS CG C 13 23.356 0.070 . 1 . 548 . . . . . . 17443 1 589 . 1 1 54 54 LYS HG2 H 1 1.707 0.015 . 2 . 549 . . . . . . 17443 1 590 . 1 1 54 54 LYS HG3 H 1 1.570 0.015 . 2 . 550 . . . . . . 17443 1 591 . 1 1 54 54 LYS CD C 13 26.928 0.121 . 1 . 551 . . . . . . 17443 1 592 . 1 1 54 54 LYS HD2 H 1 1.800 0.015 . 1 . 552 . . . . . . 17443 1 593 . 1 1 54 54 LYS HD3 H 1 1.800 0.015 . 1 . 553 . . . . . . 17443 1 594 . 1 1 54 54 LYS CE C 13 39.582 0.066 . 1 . 554 . . . . . . 17443 1 595 . 1 1 54 54 LYS HE2 H 1 3.018 0.013 . 1 . 555 . . . . . . 17443 1 596 . 1 1 54 54 LYS HE3 H 1 3.018 0.013 . 1 . 556 . . . . . . 17443 1 597 . 1 1 54 54 LYS C C 13 174.664 0.150 . 1 . 557 . . . . . . 17443 1 598 . 1 1 55 55 LEU N N 15 123.078 0.032 . 1 . 558 . . . . . . 17443 1 599 . 1 1 55 55 LEU H H 1 9.243 0.007 . 1 . 559 . . . . . . 17443 1 600 . 1 1 55 55 LEU CA C 13 52.397 0.090 . 1 . 560 . . . . . . 17443 1 601 . 1 1 55 55 LEU HA H 1 5.288 0.015 . 1 . 561 . . . . . . 17443 1 602 . 1 1 55 55 LEU CB C 13 43.944 0.103 . 1 . 562 . . . . . . 17443 1 603 . 1 1 55 55 LEU HB2 H 1 1.181 0.003 . 2 . 563 . . . . . . 17443 1 604 . 1 1 55 55 LEU HB3 H 1 1.356 0.010 . 2 . 564 . . . . . . 17443 1 605 . 1 1 55 55 LEU CG C 13 23.693 0.177 . 1 . 565 . . . . . . 17443 1 606 . 1 1 55 55 LEU HG H 1 0.012 0.010 . 1 . 566 . . . . . . 17443 1 607 . 1 1 55 55 LEU HD11 H 1 0.510 0.001 . 2 . 567 . . . . . . 17443 1 608 . 1 1 55 55 LEU HD12 H 1 0.510 0.001 . 2 . 567 . . . . . . 17443 1 609 . 1 1 55 55 LEU HD13 H 1 0.510 0.001 . 2 . 567 . . . . . . 17443 1 610 . 1 1 55 55 LEU HD21 H 1 0.495 0.015 . 2 . 568 . . . . . . 17443 1 611 . 1 1 55 55 LEU HD22 H 1 0.495 0.015 . 2 . 568 . . . . . . 17443 1 612 . 1 1 55 55 LEU HD23 H 1 0.495 0.015 . 2 . 568 . . . . . . 17443 1 613 . 1 1 55 55 LEU CD1 C 13 24.269 0.153 . 1 . 569 . . . . . . 17443 1 614 . 1 1 55 55 LEU CD2 C 13 24.269 0.153 . 1 . 1554 . . . . . . 17443 1 615 . 1 1 55 55 LEU C C 13 172.371 0.150 . 1 . 570 . . . . . . 17443 1 616 . 1 1 56 56 VAL N N 15 119.578 0.098 . 1 . 571 . . . . . . 17443 1 617 . 1 1 56 56 VAL H H 1 8.922 0.009 . 1 . 572 . . . . . . 17443 1 618 . 1 1 56 56 VAL CA C 13 57.309 0.076 . 1 . 573 . . . . . . 17443 1 619 . 1 1 56 56 VAL HA H 1 5.243 0.006 . 1 . 574 . . . . . . 17443 1 620 . 1 1 56 56 VAL CB C 13 32.666 0.032 . 1 . 575 . . . . . . 17443 1 621 . 1 1 56 56 VAL HB H 1 1.998 0.001 . 1 . 576 . . . . . . 17443 1 622 . 1 1 56 56 VAL HG11 H 1 1.014 0.019 . 2 . 577 . . . . . . 17443 1 623 . 1 1 56 56 VAL HG12 H 1 1.014 0.019 . 2 . 577 . . . . . . 17443 1 624 . 1 1 56 56 VAL HG13 H 1 1.014 0.019 . 2 . 577 . . . . . . 17443 1 625 . 1 1 56 56 VAL HG21 H 1 1.012 0.032 . 2 . 578 . . . . . . 17443 1 626 . 1 1 56 56 VAL HG22 H 1 1.012 0.032 . 2 . 578 . . . . . . 17443 1 627 . 1 1 56 56 VAL HG23 H 1 1.012 0.032 . 2 . 578 . . . . . . 17443 1 628 . 1 1 56 56 VAL CG1 C 13 18.646 0.225 . 2 . 579 . . . . . . 17443 1 629 . 1 1 56 56 VAL CG2 C 13 18.103 0.087 . 2 . 580 . . . . . . 17443 1 630 . 1 1 56 56 VAL C C 13 170.934 0.150 . 1 . 581 . . . . . . 17443 1 631 . 1 1 57 57 ILE N N 15 125.058 0.077 . 1 . 582 . . . . . . 17443 1 632 . 1 1 57 57 ILE H H 1 8.553 0.007 . 1 . 583 . . . . . . 17443 1 633 . 1 1 57 57 ILE CA C 13 57.242 0.143 . 1 . 584 . . . . . . 17443 1 634 . 1 1 57 57 ILE HA H 1 4.621 0.015 . 1 . 585 . . . . . . 17443 1 635 . 1 1 57 57 ILE CB C 13 37.897 0.134 . 1 . 586 . . . . . . 17443 1 636 . 1 1 57 57 ILE HB H 1 1.395 0.025 . 1 . 587 . . . . . . 17443 1 637 . 1 1 57 57 ILE HG21 H 1 -0.092 0.008 . 1 . 588 . . . . . . 17443 1 638 . 1 1 57 57 ILE HG22 H 1 -0.092 0.008 . 1 . 588 . . . . . . 17443 1 639 . 1 1 57 57 ILE HG23 H 1 -0.092 0.008 . 1 . 588 . . . . . . 17443 1 640 . 1 1 57 57 ILE CG2 C 13 17.004 0.112 . 1 . 589 . . . . . . 17443 1 641 . 1 1 57 57 ILE CG1 C 13 24.148 0.014 . 1 . 590 . . . . . . 17443 1 642 . 1 1 57 57 ILE HG12 H 1 1.341 0.014 . 1 . 591 . . . . . . 17443 1 643 . 1 1 57 57 ILE HG13 H 1 1.341 0.014 . 1 . 592 . . . . . . 17443 1 644 . 1 1 57 57 ILE HD11 H 1 0.598 0.015 . 1 . 593 . . . . . . 17443 1 645 . 1 1 57 57 ILE HD12 H 1 0.598 0.015 . 1 . 593 . . . . . . 17443 1 646 . 1 1 57 57 ILE HD13 H 1 0.598 0.015 . 1 . 593 . . . . . . 17443 1 647 . 1 1 57 57 ILE CD1 C 13 11.267 0.077 . 1 . 594 . . . . . . 17443 1 648 . 1 1 57 57 ILE C C 13 171.764 0.150 . 1 . 595 . . . . . . 17443 1 649 . 1 1 58 58 GLU N N 15 125.936 0.032 . 1 . 596 . . . . . . 17443 1 650 . 1 1 58 58 GLU H H 1 8.648 0.004 . 1 . 597 . . . . . . 17443 1 651 . 1 1 58 58 GLU CA C 13 52.319 0.104 . 1 . 598 . . . . . . 17443 1 652 . 1 1 58 58 GLU HA H 1 5.144 0.010 . 1 . 599 . . . . . . 17443 1 653 . 1 1 58 58 GLU CB C 13 29.090 0.088 . 1 . 600 . . . . . . 17443 1 654 . 1 1 58 58 GLU HB2 H 1 1.977 0.016 . 2 . 601 . . . . . . 17443 1 655 . 1 1 58 58 GLU HB3 H 1 1.883 0.018 . 2 . 602 . . . . . . 17443 1 656 . 1 1 58 58 GLU CG C 13 34.112 0.096 . 1 . 603 . . . . . . 17443 1 657 . 1 1 58 58 GLU HG2 H 1 2.146 0.015 . 1 . 604 . . . . . . 17443 1 658 . 1 1 58 58 GLU HG3 H 1 2.146 0.015 . 1 . 605 . . . . . . 17443 1 659 . 1 1 58 58 GLU C C 13 172.705 0.150 . 1 . 606 . . . . . . 17443 1 660 . 1 1 59 59 PHE N N 15 123.898 0.013 . 1 . 607 . . . . . . 17443 1 661 . 1 1 59 59 PHE H H 1 9.119 0.007 . 1 . 608 . . . . . . 17443 1 662 . 1 1 59 59 PHE CA C 13 54.820 0.025 . 1 . 609 . . . . . . 17443 1 663 . 1 1 59 59 PHE HA H 1 4.384 0.015 . 1 . 610 . . . . . . 17443 1 664 . 1 1 59 59 PHE CB C 13 39.697 0.170 . 1 . 611 . . . . . . 17443 1 665 . 1 1 59 59 PHE HB2 H 1 2.904 0.015 . 2 . 612 . . . . . . 17443 1 666 . 1 1 59 59 PHE HB3 H 1 2.799 0.015 . 2 . 613 . . . . . . 17443 1 667 . 1 1 59 59 PHE HD1 H 1 6.370 0.011 . 3 . 614 . . . . . . 17443 1 668 . 1 1 59 59 PHE HD2 H 1 6.370 0.011 . 3 . 615 . . . . . . 17443 1 669 . 1 1 59 59 PHE HE1 H 1 5.749 0.010 . 3 . 616 . . . . . . 17443 1 670 . 1 1 59 59 PHE HE2 H 1 5.749 0.010 . 3 . 617 . . . . . . 17443 1 671 . 1 1 59 59 PHE HZ H 1 5.917 0.019 . 1 . 618 . . . . . . 17443 1 672 . 1 1 59 59 PHE C C 13 170.681 0.150 . 1 . 619 . . . . . . 17443 1 673 . 1 1 60 60 SER N N 15 114.377 0.054 . 1 . 620 . . . . . . 17443 1 674 . 1 1 60 60 SER H H 1 7.704 0.005 . 1 . 621 . . . . . . 17443 1 675 . 1 1 60 60 SER CA C 13 53.792 0.015 . 1 . 622 . . . . . . 17443 1 676 . 1 1 60 60 SER HA H 1 5.014 0.015 . 1 . 623 . . . . . . 17443 1 677 . 1 1 60 60 SER CB C 13 64.913 0.032 . 1 . 624 . . . . . . 17443 1 678 . 1 1 60 60 SER HB2 H 1 4.351 0.017 . 2 . 625 . . . . . . 17443 1 679 . 1 1 60 60 SER HB3 H 1 3.924 0.015 . 2 . 626 . . . . . . 17443 1 680 . 1 1 60 60 SER C C 13 172.604 0.150 . 1 . 627 . . . . . . 17443 1 681 . 1 1 61 61 GLU CA C 13 54.840 0.033 . 1 . 628 . . . . . . 17443 1 682 . 1 1 61 61 GLU HA H 1 4.385 0.015 . 1 . 629 . . . . . . 17443 1 683 . 1 1 61 61 GLU CB C 13 25.999 0.075 . 1 . 630 . . . . . . 17443 1 684 . 1 1 61 61 GLU HB2 H 1 2.448 0.019 . 2 . 631 . . . . . . 17443 1 685 . 1 1 61 61 GLU HB3 H 1 1.937 0.014 . 2 . 632 . . . . . . 17443 1 686 . 1 1 61 61 GLU CG C 13 31.847 0.150 . 1 . 633 . . . . . . 17443 1 687 . 1 1 61 61 GLU HG2 H 1 2.613 0.005 . 1 . 634 . . . . . . 17443 1 688 . 1 1 61 61 GLU HG3 H 1 2.613 0.005 . 1 . 635 . . . . . . 17443 1 689 . 1 1 61 61 GLU C C 13 174.100 0.150 . 1 . 636 . . . . . . 17443 1 690 . 1 1 62 62 GLU N N 15 115.633 0.064 . 1 . 637 . . . . . . 17443 1 691 . 1 1 62 62 GLU H H 1 8.048 0.005 . 1 . 638 . . . . . . 17443 1 692 . 1 1 62 62 GLU CA C 13 53.909 0.170 . 1 . 639 . . . . . . 17443 1 693 . 1 1 62 62 GLU HA H 1 4.530 0.008 . 1 . 640 . . . . . . 17443 1 694 . 1 1 62 62 GLU CB C 13 28.271 0.059 . 1 . 641 . . . . . . 17443 1 695 . 1 1 62 62 GLU HB2 H 1 1.769 0.004 . 2 . 642 . . . . . . 17443 1 696 . 1 1 62 62 GLU HB3 H 1 2.364 0.013 . 2 . 643 . . . . . . 17443 1 697 . 1 1 62 62 GLU CG C 13 34.996 0.045 . 1 . 644 . . . . . . 17443 1 698 . 1 1 62 62 GLU HG2 H 1 2.309 0.015 . 1 . 645 . . . . . . 17443 1 699 . 1 1 62 62 GLU HG3 H 1 2.309 0.015 . 1 . 646 . . . . . . 17443 1 700 . 1 1 62 62 GLU C C 13 174.879 0.150 . 1 . 647 . . . . . . 17443 1 701 . 1 1 63 63 TYR N N 15 125.969 0.018 . 1 . 648 . . . . . . 17443 1 702 . 1 1 63 63 TYR H H 1 7.963 0.004 . 1 . 649 . . . . . . 17443 1 703 . 1 1 63 63 TYR CA C 13 55.249 0.074 . 1 . 650 . . . . . . 17443 1 704 . 1 1 63 63 TYR HA H 1 4.846 0.007 . 1 . 651 . . . . . . 17443 1 705 . 1 1 63 63 TYR CB C 13 36.812 0.234 . 1 . 652 . . . . . . 17443 1 706 . 1 1 63 63 TYR HB2 H 1 3.748 0.015 . 2 . 653 . . . . . . 17443 1 707 . 1 1 63 63 TYR HB3 H 1 3.057 0.015 . 2 . 654 . . . . . . 17443 1 708 . 1 1 63 63 TYR C C 13 171.915 0.150 . 1 . 655 . . . . . . 17443 1 709 . 1 1 64 64 PRO CD C 13 46.307 0.066 . 1 . 656 . . . . . . 17443 1 710 . 1 1 64 64 PRO CA C 13 61.243 0.064 . 1 . 657 . . . . . . 17443 1 711 . 1 1 64 64 PRO HA H 1 4.197 0.015 . 1 . 658 . . . . . . 17443 1 712 . 1 1 64 64 PRO CB C 13 30.185 0.043 . 1 . 659 . . . . . . 17443 1 713 . 1 1 64 64 PRO HB2 H 1 2.472 0.024 . 2 . 660 . . . . . . 17443 1 714 . 1 1 64 64 PRO HB3 H 1 0.854 0.008 . 2 . 661 . . . . . . 17443 1 715 . 1 1 64 64 PRO CG C 13 22.041 0.129 . 1 . 662 . . . . . . 17443 1 716 . 1 1 64 64 PRO HG2 H 1 1.885 0.007 . 2 . 663 . . . . . . 17443 1 717 . 1 1 64 64 PRO HG3 H 1 1.603 0.017 . 2 . 664 . . . . . . 17443 1 718 . 1 1 64 64 PRO HD2 H 1 3.199 0.022 . 2 . 665 . . . . . . 17443 1 719 . 1 1 64 64 PRO HD3 H 1 3.460 0.015 . 2 . 666 . . . . . . 17443 1 720 . 1 1 64 64 PRO C C 13 172.464 0.150 . 1 . 667 . . . . . . 17443 1 721 . 1 1 65 65 ASN N N 15 124.228 0.051 . 1 . 668 . . . . . . 17443 1 722 . 1 1 65 65 ASN H H 1 8.998 0.008 . 1 . 669 . . . . . . 17443 1 723 . 1 1 65 65 ASN CA C 13 53.698 0.150 . 1 . 670 . . . . . . 17443 1 724 . 1 1 65 65 ASN HA H 1 4.719 0.006 . 1 . 671 . . . . . . 17443 1 725 . 1 1 65 65 ASN CB C 13 36.258 0.095 . 1 . 672 . . . . . . 17443 1 726 . 1 1 65 65 ASN HB2 H 1 3.101 0.006 . 2 . 673 . . . . . . 17443 1 727 . 1 1 65 65 ASN HB3 H 1 2.982 0.008 . 2 . 674 . . . . . . 17443 1 728 . 1 1 65 65 ASN C C 13 172.289 0.150 . 1 . 675 . . . . . . 17443 1 729 . 1 1 66 66 LYS N N 15 117.874 0.019 . 1 . 676 . . . . . . 17443 1 730 . 1 1 66 66 LYS H H 1 7.207 0.004 . 1 . 677 . . . . . . 17443 1 731 . 1 1 66 66 LYS CA C 13 49.338 0.100 . 1 . 678 . . . . . . 17443 1 732 . 1 1 66 66 LYS HA H 1 4.621 0.011 . 1 . 679 . . . . . . 17443 1 733 . 1 1 66 66 LYS CB C 13 32.587 0.114 . 1 . 680 . . . . . . 17443 1 734 . 1 1 66 66 LYS HB2 H 1 1.358 0.015 . 2 . 681 . . . . . . 17443 1 735 . 1 1 66 66 LYS HB3 H 1 1.650 0.015 . 2 . 682 . . . . . . 17443 1 736 . 1 1 66 66 LYS CG C 13 22.175 0.117 . 1 . 683 . . . . . . 17443 1 737 . 1 1 66 66 LYS HG2 H 1 1.455 0.009 . 2 . 684 . . . . . . 17443 1 738 . 1 1 66 66 LYS HG3 H 1 1.356 0.004 . 2 . 685 . . . . . . 17443 1 739 . 1 1 66 66 LYS HD2 H 1 1.744 0.013 . 1 . 686 . . . . . . 17443 1 740 . 1 1 66 66 LYS HD3 H 1 1.744 0.013 . 1 . 687 . . . . . . 17443 1 741 . 1 1 66 66 LYS CE C 13 39.628 0.021 . 1 . 688 . . . . . . 17443 1 742 . 1 1 66 66 LYS HE2 H 1 2.997 0.001 . 1 . 689 . . . . . . 17443 1 743 . 1 1 66 66 LYS HE3 H 1 2.997 0.001 . 1 . 690 . . . . . . 17443 1 744 . 1 1 67 67 PRO CD C 13 47.621 0.027 . 1 . 691 . . . . . . 17443 1 745 . 1 1 67 67 PRO CB C 13 23.334 0.078 . 1 . 692 . . . . . . 17443 1 746 . 1 1 67 67 PRO HB2 H 1 1.745 0.011 . 1 . 693 . . . . . . 17443 1 747 . 1 1 67 67 PRO HB3 H 1 1.745 0.011 . 1 . 694 . . . . . . 17443 1 748 . 1 1 67 67 PRO HG2 H 1 1.308 0.015 . 1 . 695 . . . . . . 17443 1 749 . 1 1 67 67 PRO HG3 H 1 1.308 0.015 . 1 . 696 . . . . . . 17443 1 750 . 1 1 67 67 PRO HD2 H 1 3.472 0.017 . 2 . 697 . . . . . . 17443 1 751 . 1 1 67 67 PRO HD3 H 1 3.087 0.015 . 2 . 698 . . . . . . 17443 1 752 . 1 1 68 68 PRO CD C 13 46.359 0.036 . 1 . 699 . . . . . . 17443 1 753 . 1 1 68 68 PRO CA C 13 58.664 0.184 . 1 . 700 . . . . . . 17443 1 754 . 1 1 68 68 PRO HA H 1 4.544 0.015 . 1 . 701 . . . . . . 17443 1 755 . 1 1 68 68 PRO CB C 13 30.031 0.120 . 1 . 702 . . . . . . 17443 1 756 . 1 1 68 68 PRO HB2 H 1 0.952 0.019 . 1 . 703 . . . . . . 17443 1 757 . 1 1 68 68 PRO HB3 H 1 0.952 0.019 . 1 . 704 . . . . . . 17443 1 758 . 1 1 68 68 PRO CG C 13 23.415 0.150 . 1 . 705 . . . . . . 17443 1 759 . 1 1 68 68 PRO HG2 H 1 1.156 0.015 . 1 . 706 . . . . . . 17443 1 760 . 1 1 68 68 PRO HG3 H 1 1.156 0.015 . 1 . 707 . . . . . . 17443 1 761 . 1 1 68 68 PRO HD2 H 1 3.018 0.010 . 2 . 708 . . . . . . 17443 1 762 . 1 1 68 68 PRO HD3 H 1 2.844 0.008 . 2 . 709 . . . . . . 17443 1 763 . 1 1 68 68 PRO C C 13 172.921 0.150 . 1 . 710 . . . . . . 17443 1 764 . 1 1 69 69 THR N N 15 111.403 0.050 . 1 . 711 . . . . . . 17443 1 765 . 1 1 69 69 THR H H 1 8.014 0.006 . 1 . 712 . . . . . . 17443 1 766 . 1 1 69 69 THR CA C 13 58.935 0.039 . 1 . 713 . . . . . . 17443 1 767 . 1 1 69 69 THR HA H 1 4.391 0.003 . 1 . 714 . . . . . . 17443 1 768 . 1 1 69 69 THR CB C 13 67.412 0.063 . 1 . 715 . . . . . . 17443 1 769 . 1 1 69 69 THR HB H 1 4.060 0.015 . 1 . 716 . . . . . . 17443 1 770 . 1 1 69 69 THR HG21 H 1 1.149 0.007 . 1 . 717 . . . . . . 17443 1 771 . 1 1 69 69 THR HG22 H 1 1.149 0.007 . 1 . 717 . . . . . . 17443 1 772 . 1 1 69 69 THR HG23 H 1 1.149 0.007 . 1 . 717 . . . . . . 17443 1 773 . 1 1 69 69 THR CG2 C 13 18.986 0.037 . 1 . 718 . . . . . . 17443 1 774 . 1 1 69 69 THR C C 13 171.225 0.150 . 1 . 719 . . . . . . 17443 1 775 . 1 1 70 70 VAL N N 15 123.820 0.088 . 1 . 720 . . . . . . 17443 1 776 . 1 1 70 70 VAL H H 1 8.351 0.005 . 1 . 721 . . . . . . 17443 1 777 . 1 1 70 70 VAL CA C 13 58.103 0.139 . 1 . 722 . . . . . . 17443 1 778 . 1 1 70 70 VAL HA H 1 4.730 0.009 . 1 . 723 . . . . . . 17443 1 779 . 1 1 70 70 VAL CB C 13 31.608 0.053 . 1 . 724 . . . . . . 17443 1 780 . 1 1 70 70 VAL HB H 1 1.663 0.015 . 1 . 725 . . . . . . 17443 1 781 . 1 1 70 70 VAL HG11 H 1 0.556 0.016 . 2 . 726 . . . . . . 17443 1 782 . 1 1 70 70 VAL HG12 H 1 0.556 0.016 . 2 . 726 . . . . . . 17443 1 783 . 1 1 70 70 VAL HG13 H 1 0.556 0.016 . 2 . 726 . . . . . . 17443 1 784 . 1 1 70 70 VAL HG21 H 1 0.589 0.015 . 2 . 727 . . . . . . 17443 1 785 . 1 1 70 70 VAL HG22 H 1 0.589 0.015 . 2 . 727 . . . . . . 17443 1 786 . 1 1 70 70 VAL HG23 H 1 0.589 0.015 . 2 . 727 . . . . . . 17443 1 787 . 1 1 70 70 VAL CG1 C 13 19.845 0.152 . 2 . 728 . . . . . . 17443 1 788 . 1 1 70 70 VAL CG2 C 13 19.040 0.111 . 2 . 729 . . . . . . 17443 1 789 . 1 1 70 70 VAL C C 13 171.479 0.150 . 1 . 730 . . . . . . 17443 1 790 . 1 1 71 71 ARG N N 15 123.341 0.002 . 1 . 731 . . . . . . 17443 1 791 . 1 1 71 71 ARG H H 1 8.378 0.010 . 1 . 732 . . . . . . 17443 1 792 . 1 1 71 71 ARG CA C 13 51.764 0.030 . 1 . 733 . . . . . . 17443 1 793 . 1 1 71 71 ARG HA H 1 4.883 0.015 . 1 . 734 . . . . . . 17443 1 794 . 1 1 71 71 ARG CB C 13 31.616 0.046 . 1 . 735 . . . . . . 17443 1 795 . 1 1 71 71 ARG HB2 H 1 1.485 0.012 . 2 . 736 . . . . . . 17443 1 796 . 1 1 71 71 ARG HB3 H 1 1.638 0.015 . 2 . 737 . . . . . . 17443 1 797 . 1 1 71 71 ARG CG C 13 24.663 0.059 . 1 . 738 . . . . . . 17443 1 798 . 1 1 71 71 ARG HG2 H 1 1.476 0.014 . 2 . 739 . . . . . . 17443 1 799 . 1 1 71 71 ARG HG3 H 1 1.348 0.014 . 2 . 740 . . . . . . 17443 1 800 . 1 1 71 71 ARG CD C 13 40.804 0.099 . 1 . 741 . . . . . . 17443 1 801 . 1 1 71 71 ARG HD2 H 1 3.131 0.015 . 1 . 742 . . . . . . 17443 1 802 . 1 1 71 71 ARG HD3 H 1 3.131 0.015 . 1 . 743 . . . . . . 17443 1 803 . 1 1 71 71 ARG C C 13 173.416 0.150 . 1 . 744 . . . . . . 17443 1 804 . 1 1 72 72 PHE N N 15 121.644 0.033 . 1 . 745 . . . . . . 17443 1 805 . 1 1 72 72 PHE H H 1 9.313 0.025 . 1 . 746 . . . . . . 17443 1 806 . 1 1 72 72 PHE CA C 13 57.713 0.062 . 1 . 747 . . . . . . 17443 1 807 . 1 1 72 72 PHE HA H 1 4.676 0.007 . 1 . 748 . . . . . . 17443 1 808 . 1 1 72 72 PHE CB C 13 36.957 0.167 . 1 . 749 . . . . . . 17443 1 809 . 1 1 72 72 PHE HB2 H 1 3.506 0.007 . 2 . 750 . . . . . . 17443 1 810 . 1 1 72 72 PHE HB3 H 1 3.015 0.018 . 2 . 751 . . . . . . 17443 1 811 . 1 1 72 72 PHE HD1 H 1 6.604 0.021 . 3 . 752 . . . . . . 17443 1 812 . 1 1 72 72 PHE HD2 H 1 6.604 0.021 . 3 . 753 . . . . . . 17443 1 813 . 1 1 72 72 PHE HE1 H 1 6.816 0.009 . 3 . 754 . . . . . . 17443 1 814 . 1 1 72 72 PHE HE2 H 1 6.816 0.009 . 3 . 755 . . . . . . 17443 1 815 . 1 1 72 72 PHE CD1 C 13 125.523 0.150 . 3 . 756 . . . . . . 17443 1 816 . 1 1 72 72 PHE CD2 C 13 125.523 0.150 . 3 . 757 . . . . . . 17443 1 817 . 1 1 72 72 PHE HZ H 1 7.321 0.014 . 1 . 758 . . . . . . 17443 1 818 . 1 1 72 72 PHE C C 13 173.824 0.150 . 1 . 759 . . . . . . 17443 1 819 . 1 1 73 73 LEU N N 15 124.363 0.037 . 1 . 760 . . . . . . 17443 1 820 . 1 1 73 73 LEU H H 1 9.410 0.010 . 1 . 761 . . . . . . 17443 1 821 . 1 1 73 73 LEU CA C 13 52.719 0.067 . 1 . 762 . . . . . . 17443 1 822 . 1 1 73 73 LEU HA H 1 4.529 0.015 . 1 . 763 . . . . . . 17443 1 823 . 1 1 73 73 LEU CB C 13 40.416 0.074 . 1 . 764 . . . . . . 17443 1 824 . 1 1 73 73 LEU HB2 H 1 1.567 0.019 . 2 . 765 . . . . . . 17443 1 825 . 1 1 73 73 LEU HB3 H 1 1.708 0.015 . 2 . 766 . . . . . . 17443 1 826 . 1 1 73 73 LEU CG C 13 24.742 0.028 . 1 . 767 . . . . . . 17443 1 827 . 1 1 73 73 LEU HG H 1 1.646 0.006 . 1 . 768 . . . . . . 17443 1 828 . 1 1 73 73 LEU HD11 H 1 0.960 0.015 . 2 . 769 . . . . . . 17443 1 829 . 1 1 73 73 LEU HD12 H 1 0.960 0.015 . 2 . 769 . . . . . . 17443 1 830 . 1 1 73 73 LEU HD13 H 1 0.960 0.015 . 2 . 769 . . . . . . 17443 1 831 . 1 1 73 73 LEU HD21 H 1 0.920 0.015 . 2 . 770 . . . . . . 17443 1 832 . 1 1 73 73 LEU HD22 H 1 0.920 0.015 . 2 . 770 . . . . . . 17443 1 833 . 1 1 73 73 LEU HD23 H 1 0.920 0.015 . 2 . 770 . . . . . . 17443 1 834 . 1 1 73 73 LEU CD1 C 13 22.919 0.164 . 2 . 771 . . . . . . 17443 1 835 . 1 1 73 73 LEU CD2 C 13 20.091 0.019 . 2 . 772 . . . . . . 17443 1 836 . 1 1 73 73 LEU C C 13 176.651 0.150 . 1 . 773 . . . . . . 17443 1 837 . 1 1 74 74 SER N N 15 115.317 0.059 . 1 . 774 . . . . . . 17443 1 838 . 1 1 74 74 SER H H 1 7.461 0.005 . 1 . 775 . . . . . . 17443 1 839 . 1 1 74 74 SER CA C 13 57.123 0.043 . 1 . 776 . . . . . . 17443 1 840 . 1 1 74 74 SER HA H 1 4.676 0.015 . 1 . 777 . . . . . . 17443 1 841 . 1 1 74 74 SER CB C 13 62.225 0.081 . 1 . 778 . . . . . . 17443 1 842 . 1 1 74 74 SER HB2 H 1 3.752 0.015 . 1 . 779 . . . . . . 17443 1 843 . 1 1 74 74 SER HB3 H 1 3.752 0.015 . 1 . 780 . . . . . . 17443 1 844 . 1 1 74 74 SER C C 13 170.570 0.150 . 1 . 781 . . . . . . 17443 1 845 . 1 1 75 75 LYS N N 15 125.099 0.150 . 1 . 782 . . . . . . 17443 1 846 . 1 1 75 75 LYS H H 1 8.769 0.015 . 1 . 783 . . . . . . 17443 1 847 . 1 1 75 75 LYS CA C 13 54.912 0.119 . 1 . 784 . . . . . . 17443 1 848 . 1 1 75 75 LYS HA H 1 4.113 0.014 . 1 . 785 . . . . . . 17443 1 849 . 1 1 75 75 LYS CB C 13 29.350 0.153 . 1 . 786 . . . . . . 17443 1 850 . 1 1 75 75 LYS HB2 H 1 1.868 0.015 . 2 . 787 . . . . . . 17443 1 851 . 1 1 75 75 LYS HB3 H 1 1.795 0.006 . 2 . 788 . . . . . . 17443 1 852 . 1 1 75 75 LYS CG C 13 22.424 0.034 . 1 . 789 . . . . . . 17443 1 853 . 1 1 75 75 LYS HG2 H 1 1.629 0.015 . 2 . 790 . . . . . . 17443 1 854 . 1 1 75 75 LYS HG3 H 1 1.567 0.004 . 2 . 791 . . . . . . 17443 1 855 . 1 1 75 75 LYS CD C 13 26.536 0.150 . 1 . 792 . . . . . . 17443 1 856 . 1 1 75 75 LYS CE C 13 39.618 0.132 . 1 . 793 . . . . . . 17443 1 857 . 1 1 75 75 LYS HE2 H 1 3.262 0.015 . 2 . 794 . . . . . . 17443 1 858 . 1 1 75 75 LYS HE3 H 1 3.103 0.012 . 2 . 795 . . . . . . 17443 1 859 . 1 1 75 75 LYS C C 13 173.118 0.150 . 1 . 796 . . . . . . 17443 1 860 . 1 1 76 76 MET N N 15 120.704 0.150 . 1 . 797 . . . . . . 17443 1 861 . 1 1 76 76 MET H H 1 8.492 0.015 . 1 . 798 . . . . . . 17443 1 862 . 1 1 76 76 MET CA C 13 49.628 0.030 . 1 . 799 . . . . . . 17443 1 863 . 1 1 76 76 MET HA H 1 4.855 0.008 . 1 . 800 . . . . . . 17443 1 864 . 1 1 76 76 MET CB C 13 30.448 0.162 . 1 . 801 . . . . . . 17443 1 865 . 1 1 76 76 MET HB2 H 1 1.602 0.006 . 2 . 802 . . . . . . 17443 1 866 . 1 1 76 76 MET HB3 H 1 1.467 0.013 . 2 . 803 . . . . . . 17443 1 867 . 1 1 76 76 MET CG C 13 28.720 0.056 . 1 . 804 . . . . . . 17443 1 868 . 1 1 76 76 MET HG2 H 1 1.860 0.009 . 2 . 805 . . . . . . 17443 1 869 . 1 1 76 76 MET HG3 H 1 1.637 0.006 . 2 . 806 . . . . . . 17443 1 870 . 1 1 76 76 MET C C 13 170.645 0.150 . 1 . 807 . . . . . . 17443 1 871 . 1 1 77 77 PHE N N 15 124.609 0.150 . 1 . 808 . . . . . . 17443 1 872 . 1 1 77 77 PHE H H 1 6.912 0.012 . 1 . 809 . . . . . . 17443 1 873 . 1 1 77 77 PHE CA C 13 55.554 0.049 . 1 . 810 . . . . . . 17443 1 874 . 1 1 77 77 PHE HA H 1 4.493 0.011 . 1 . 811 . . . . . . 17443 1 875 . 1 1 77 77 PHE CB C 13 37.826 0.044 . 1 . 812 . . . . . . 17443 1 876 . 1 1 77 77 PHE HB2 H 1 2.930 0.004 . 2 . 813 . . . . . . 17443 1 877 . 1 1 77 77 PHE HB3 H 1 2.760 0.013 . 2 . 814 . . . . . . 17443 1 878 . 1 1 77 77 PHE HD1 H 1 7.277 0.007 . 3 . 815 . . . . . . 17443 1 879 . 1 1 77 77 PHE HD2 H 1 7.277 0.007 . 3 . 816 . . . . . . 17443 1 880 . 1 1 77 77 PHE C C 13 168.348 0.150 . 1 . 817 . . . . . . 17443 1 881 . 1 1 78 78 HIS N N 15 122.903 0.027 . 1 . 818 . . . . . . 17443 1 882 . 1 1 78 78 HIS H H 1 8.515 0.006 . 1 . 819 . . . . . . 17443 1 883 . 1 1 78 78 HIS CA C 13 52.547 0.060 . 1 . 820 . . . . . . 17443 1 884 . 1 1 78 78 HIS HA H 1 4.904 0.015 . 1 . 821 . . . . . . 17443 1 885 . 1 1 78 78 HIS CB C 13 31.778 0.193 . 1 . 822 . . . . . . 17443 1 886 . 1 1 78 78 HIS HB2 H 1 3.182 0.015 . 2 . 823 . . . . . . 17443 1 887 . 1 1 78 78 HIS HB3 H 1 2.284 0.015 . 2 . 824 . . . . . . 17443 1 888 . 1 1 79 79 PRO CA C 13 62.897 0.048 . 1 . 825 . . . . . . 17443 1 889 . 1 1 79 79 PRO HA H 1 4.145 0.018 . 1 . 826 . . . . . . 17443 1 890 . 1 1 79 79 PRO CB C 13 30.655 0.108 . 1 . 827 . . . . . . 17443 1 891 . 1 1 79 79 PRO HB2 H 1 1.956 0.012 . 2 . 828 . . . . . . 17443 1 892 . 1 1 79 79 PRO HB3 H 1 1.387 0.011 . 2 . 829 . . . . . . 17443 1 893 . 1 1 79 79 PRO C C 13 173.596 0.150 . 1 . 830 . . . . . . 17443 1 894 . 1 1 80 80 ASN N N 15 115.235 0.048 . 1 . 831 . . . . . . 17443 1 895 . 1 1 80 80 ASN H H 1 11.364 0.008 . 1 . 832 . . . . . . 17443 1 896 . 1 1 80 80 ASN CA C 13 50.928 0.122 . 1 . 833 . . . . . . 17443 1 897 . 1 1 80 80 ASN HA H 1 4.880 0.005 . 1 . 834 . . . . . . 17443 1 898 . 1 1 80 80 ASN CB C 13 38.742 0.150 . 1 . 835 . . . . . . 17443 1 899 . 1 1 80 80 ASN HB2 H 1 3.750 0.015 . 2 . 836 . . . . . . 17443 1 900 . 1 1 80 80 ASN HB3 H 1 2.530 0.015 . 2 . 837 . . . . . . 17443 1 901 . 1 1 80 80 ASN C C 13 169.309 0.150 . 1 . 838 . . . . . . 17443 1 902 . 1 1 81 81 VAL N N 15 120.721 0.038 . 1 . 839 . . . . . . 17443 1 903 . 1 1 81 81 VAL H H 1 7.495 0.003 . 1 . 840 . . . . . . 17443 1 904 . 1 1 81 81 VAL CA C 13 58.721 0.028 . 1 . 841 . . . . . . 17443 1 905 . 1 1 81 81 VAL HA H 1 4.684 0.019 . 1 . 842 . . . . . . 17443 1 906 . 1 1 81 81 VAL CB C 13 31.023 0.137 . 1 . 843 . . . . . . 17443 1 907 . 1 1 81 81 VAL HB H 1 1.890 0.015 . 1 . 844 . . . . . . 17443 1 908 . 1 1 81 81 VAL HG11 H 1 0.634 0.015 . 2 . 845 . . . . . . 17443 1 909 . 1 1 81 81 VAL HG12 H 1 0.634 0.015 . 2 . 845 . . . . . . 17443 1 910 . 1 1 81 81 VAL HG13 H 1 0.634 0.015 . 2 . 845 . . . . . . 17443 1 911 . 1 1 81 81 VAL HG21 H 1 1.131 0.015 . 2 . 846 . . . . . . 17443 1 912 . 1 1 81 81 VAL HG22 H 1 1.131 0.015 . 2 . 846 . . . . . . 17443 1 913 . 1 1 81 81 VAL HG23 H 1 1.131 0.015 . 2 . 846 . . . . . . 17443 1 914 . 1 1 81 81 VAL CG1 C 13 18.903 0.172 . 2 . 847 . . . . . . 17443 1 915 . 1 1 81 81 VAL CG2 C 13 18.261 0.043 . 2 . 848 . . . . . . 17443 1 916 . 1 1 81 81 VAL C C 13 172.899 0.150 . 1 . 849 . . . . . . 17443 1 917 . 1 1 82 82 TYR N N 15 125.201 0.047 . 1 . 850 . . . . . . 17443 1 918 . 1 1 82 82 TYR H H 1 8.900 0.012 . 1 . 851 . . . . . . 17443 1 919 . 1 1 82 82 TYR CA C 13 56.630 0.074 . 1 . 852 . . . . . . 17443 1 920 . 1 1 82 82 TYR HA H 1 4.299 0.015 . 1 . 853 . . . . . . 17443 1 921 . 1 1 82 82 TYR CB C 13 37.374 0.189 . 1 . 854 . . . . . . 17443 1 922 . 1 1 82 82 TYR HB2 H 1 3.451 0.015 . 2 . 855 . . . . . . 17443 1 923 . 1 1 82 82 TYR HB3 H 1 3.139 0.015 . 2 . 856 . . . . . . 17443 1 924 . 1 1 82 82 TYR HD1 H 1 7.279 0.016 . 3 . 857 . . . . . . 17443 1 925 . 1 1 82 82 TYR HD2 H 1 7.279 0.016 . 3 . 858 . . . . . . 17443 1 926 . 1 1 82 82 TYR HE1 H 1 6.854 0.012 . 3 . 859 . . . . . . 17443 1 927 . 1 1 82 82 TYR HE2 H 1 6.854 0.012 . 3 . 860 . . . . . . 17443 1 928 . 1 1 82 82 TYR CD1 C 13 131.583 0.237 . 3 . 861 . . . . . . 17443 1 929 . 1 1 82 82 TYR CD2 C 13 131.583 0.237 . 3 . 862 . . . . . . 17443 1 930 . 1 1 82 82 TYR C C 13 176.393 0.150 . 1 . 863 . . . . . . 17443 1 931 . 1 1 83 83 ALA CA C 13 52.453 0.046 . 1 . 864 . . . . . . 17443 1 932 . 1 1 83 83 ALA HA H 1 4.362 0.011 . 1 . 865 . . . . . . 17443 1 933 . 1 1 83 83 ALA HB1 H 1 1.661 0.009 . 1 . 866 . . . . . . 17443 1 934 . 1 1 83 83 ALA HB2 H 1 1.661 0.009 . 1 . 866 . . . . . . 17443 1 935 . 1 1 83 83 ALA HB3 H 1 1.661 0.009 . 1 . 866 . . . . . . 17443 1 936 . 1 1 83 83 ALA CB C 13 15.900 0.099 . 1 . 867 . . . . . . 17443 1 937 . 1 1 83 83 ALA C C 13 175.600 0.150 . 1 . 868 . . . . . . 17443 1 938 . 1 1 84 84 ASP N N 15 114.120 0.150 . 1 . 869 . . . . . . 17443 1 939 . 1 1 84 84 ASP H H 1 7.940 0.015 . 1 . 870 . . . . . . 17443 1 940 . 1 1 84 84 ASP CA C 13 51.000 0.009 . 1 . 871 . . . . . . 17443 1 941 . 1 1 84 84 ASP HA H 1 4.648 0.029 . 1 . 872 . . . . . . 17443 1 942 . 1 1 84 84 ASP CB C 13 37.313 0.020 . 1 . 873 . . . . . . 17443 1 943 . 1 1 84 84 ASP HB2 H 1 3.128 0.015 . 2 . 874 . . . . . . 17443 1 944 . 1 1 84 84 ASP HB3 H 1 2.704 0.013 . 2 . 875 . . . . . . 17443 1 945 . 1 1 84 84 ASP C C 13 174.066 0.150 . 1 . 876 . . . . . . 17443 1 946 . 1 1 85 85 GLY N N 15 108.283 0.076 . 1 . 877 . . . . . . 17443 1 947 . 1 1 85 85 GLY H H 1 8.420 0.015 . 1 . 878 . . . . . . 17443 1 948 . 1 1 85 85 GLY CA C 13 42.951 0.046 . 1 . 879 . . . . . . 17443 1 949 . 1 1 85 85 GLY HA2 H 1 4.937 0.015 . 2 . 880 . . . . . . 17443 1 950 . 1 1 85 85 GLY HA3 H 1 3.678 0.015 . 2 . 881 . . . . . . 17443 1 951 . 1 1 85 85 GLY C C 13 172.699 0.150 . 1 . 882 . . . . . . 17443 1 952 . 1 1 86 86 SER N N 15 118.403 0.150 . 1 . 883 . . . . . . 17443 1 953 . 1 1 86 86 SER H H 1 8.582 0.012 . 1 . 884 . . . . . . 17443 1 954 . 1 1 86 86 SER CA C 13 57.730 0.054 . 1 . 885 . . . . . . 17443 1 955 . 1 1 86 86 SER HA H 1 4.719 0.010 . 1 . 886 . . . . . . 17443 1 956 . 1 1 86 86 SER CB C 13 60.723 0.113 . 1 . 887 . . . . . . 17443 1 957 . 1 1 86 86 SER HB2 H 1 4.203 0.015 . 2 . 888 . . . . . . 17443 1 958 . 1 1 86 86 SER HB3 H 1 3.985 0.015 . 2 . 889 . . . . . . 17443 1 959 . 1 1 86 86 SER C C 13 170.518 0.150 . 1 . 890 . . . . . . 17443 1 960 . 1 1 87 87 ILE N N 15 120.418 0.117 . 1 . 891 . . . . . . 17443 1 961 . 1 1 87 87 ILE H H 1 8.387 0.010 . 1 . 892 . . . . . . 17443 1 962 . 1 1 87 87 ILE CA C 13 58.781 0.084 . 1 . 893 . . . . . . 17443 1 963 . 1 1 87 87 ILE HA H 1 4.595 0.020 . 1 . 894 . . . . . . 17443 1 964 . 1 1 87 87 ILE CB C 13 38.578 0.102 . 1 . 895 . . . . . . 17443 1 965 . 1 1 87 87 ILE HB H 1 1.585 0.018 . 1 . 896 . . . . . . 17443 1 966 . 1 1 87 87 ILE HG21 H 1 0.757 0.018 . 1 . 897 . . . . . . 17443 1 967 . 1 1 87 87 ILE HG22 H 1 0.757 0.018 . 1 . 897 . . . . . . 17443 1 968 . 1 1 87 87 ILE HG23 H 1 0.757 0.018 . 1 . 897 . . . . . . 17443 1 969 . 1 1 87 87 ILE CG2 C 13 15.878 0.099 . 1 . 898 . . . . . . 17443 1 970 . 1 1 87 87 ILE CG1 C 13 25.777 0.151 . 1 . 899 . . . . . . 17443 1 971 . 1 1 87 87 ILE HG12 H 1 1.784 0.015 . 2 . 900 . . . . . . 17443 1 972 . 1 1 87 87 ILE HG13 H 1 0.929 0.015 . 2 . 901 . . . . . . 17443 1 973 . 1 1 87 87 ILE HD11 H 1 0.466 0.015 . 1 . 902 . . . . . . 17443 1 974 . 1 1 87 87 ILE HD12 H 1 0.466 0.015 . 1 . 902 . . . . . . 17443 1 975 . 1 1 87 87 ILE HD13 H 1 0.466 0.015 . 1 . 902 . . . . . . 17443 1 976 . 1 1 87 87 ILE CD1 C 13 12.906 0.134 . 1 . 903 . . . . . . 17443 1 977 . 1 1 87 87 ILE C C 13 172.778 0.150 . 1 . 904 . . . . . . 17443 1 978 . 1 1 88 88 CYS N N 15 127.930 0.094 . 1 . 905 . . . . . . 17443 1 979 . 1 1 88 88 CYS H H 1 8.651 0.003 . 1 . 906 . . . . . . 17443 1 980 . 1 1 88 88 CYS CA C 13 55.922 0.099 . 1 . 907 . . . . . . 17443 1 981 . 1 1 88 88 CYS HA H 1 4.681 0.015 . 1 . 908 . . . . . . 17443 1 982 . 1 1 88 88 CYS CB C 13 24.165 0.055 . 1 . 909 . . . . . . 17443 1 983 . 1 1 88 88 CYS HB2 H 1 2.950 0.015 . 2 . 910 . . . . . . 17443 1 984 . 1 1 88 88 CYS HB3 H 1 2.710 0.010 . 2 . 911 . . . . . . 17443 1 985 . 1 1 88 88 CYS C C 13 170.024 0.150 . 1 . 912 . . . . . . 17443 1 986 . 1 1 89 89 LEU N N 15 127.487 0.081 . 1 . 913 . . . . . . 17443 1 987 . 1 1 89 89 LEU H H 1 7.796 0.005 . 1 . 914 . . . . . . 17443 1 988 . 1 1 89 89 LEU CA C 13 51.509 0.084 . 1 . 915 . . . . . . 17443 1 989 . 1 1 89 89 LEU HA H 1 4.663 0.029 . 1 . 916 . . . . . . 17443 1 990 . 1 1 89 89 LEU CB C 13 42.680 0.052 . 1 . 917 . . . . . . 17443 1 991 . 1 1 89 89 LEU HB2 H 1 1.619 0.015 . 2 . 918 . . . . . . 17443 1 992 . 1 1 89 89 LEU HB3 H 1 1.439 0.015 . 2 . 919 . . . . . . 17443 1 993 . 1 1 89 89 LEU CG C 13 21.671 0.191 . 1 . 920 . . . . . . 17443 1 994 . 1 1 89 89 LEU HG H 1 1.020 0.014 . 1 . 921 . . . . . . 17443 1 995 . 1 1 89 89 LEU HD11 H 1 0.831 0.015 . 1 . 922 . . . . . . 17443 1 996 . 1 1 89 89 LEU HD12 H 1 0.831 0.015 . 1 . 922 . . . . . . 17443 1 997 . 1 1 89 89 LEU HD13 H 1 0.831 0.015 . 1 . 922 . . . . . . 17443 1 998 . 1 1 89 89 LEU HD21 H 1 0.831 0.015 . 1 . 1556 . . . . . . 17443 1 999 . 1 1 89 89 LEU HD22 H 1 0.831 0.015 . 1 . 1556 . . . . . . 17443 1 1000 . 1 1 89 89 LEU HD23 H 1 0.831 0.015 . 1 . 1556 . . . . . . 17443 1 1001 . 1 1 89 89 LEU CD1 C 13 23.116 0.121 . 1 . 923 . . . . . . 17443 1 1002 . 1 1 89 89 LEU CD2 C 13 23.116 0.121 . 1 . 1555 . . . . . . 17443 1 1003 . 1 1 89 89 LEU C C 13 170.080 0.150 . 1 . 924 . . . . . . 17443 1 1004 . 1 1 90 90 ASP CA C 13 55.640 0.032 . 1 . 925 . . . . . . 17443 1 1005 . 1 1 90 90 ASP HA H 1 4.415 0.012 . 1 . 926 . . . . . . 17443 1 1006 . 1 1 90 90 ASP CB C 13 36.998 0.096 . 1 . 927 . . . . . . 17443 1 1007 . 1 1 90 90 ASP HB2 H 1 2.834 0.017 . 2 . 928 . . . . . . 17443 1 1008 . 1 1 90 90 ASP HB3 H 1 2.775 0.007 . 2 . 929 . . . . . . 17443 1 1009 . 1 1 90 90 ASP C C 13 177.444 0.150 . 1 . 930 . . . . . . 17443 1 1010 . 1 1 91 91 ILE N N 15 117.121 0.150 . 1 . 931 . . . . . . 17443 1 1011 . 1 1 91 91 ILE H H 1 8.199 0.021 . 1 . 932 . . . . . . 17443 1 1012 . 1 1 91 91 ILE CA C 13 61.510 0.112 . 1 . 933 . . . . . . 17443 1 1013 . 1 1 91 91 ILE HA H 1 3.883 0.015 . 1 . 934 . . . . . . 17443 1 1014 . 1 1 91 91 ILE CB C 13 35.591 0.055 . 1 . 935 . . . . . . 17443 1 1015 . 1 1 91 91 ILE HB H 1 1.974 0.015 . 1 . 936 . . . . . . 17443 1 1016 . 1 1 91 91 ILE HG21 H 1 0.937 0.010 . 1 . 937 . . . . . . 17443 1 1017 . 1 1 91 91 ILE HG22 H 1 0.937 0.010 . 1 . 937 . . . . . . 17443 1 1018 . 1 1 91 91 ILE HG23 H 1 0.937 0.010 . 1 . 937 . . . . . . 17443 1 1019 . 1 1 91 91 ILE CG2 C 13 15.529 0.035 . 1 . 938 . . . . . . 17443 1 1020 . 1 1 91 91 ILE CG1 C 13 24.930 0.052 . 1 . 939 . . . . . . 17443 1 1021 . 1 1 91 91 ILE HG12 H 1 1.390 0.015 . 2 . 940 . . . . . . 17443 1 1022 . 1 1 91 91 ILE HG13 H 1 1.219 0.012 . 2 . 941 . . . . . . 17443 1 1023 . 1 1 91 91 ILE HD11 H 1 0.675 0.010 . 1 . 942 . . . . . . 17443 1 1024 . 1 1 91 91 ILE HD12 H 1 0.675 0.010 . 1 . 942 . . . . . . 17443 1 1025 . 1 1 91 91 ILE HD13 H 1 0.675 0.010 . 1 . 942 . . . . . . 17443 1 1026 . 1 1 91 91 ILE CD1 C 13 11.335 0.052 . 1 . 943 . . . . . . 17443 1 1027 . 1 1 91 91 ILE C C 13 171.511 0.150 . 1 . 944 . . . . . . 17443 1 1028 . 1 1 92 92 LEU N N 15 114.200 0.041 . 1 . 945 . . . . . . 17443 1 1029 . 1 1 92 92 LEU H H 1 7.354 0.007 . 1 . 946 . . . . . . 17443 1 1030 . 1 1 92 92 LEU CA C 13 51.883 0.075 . 1 . 947 . . . . . . 17443 1 1031 . 1 1 92 92 LEU HA H 1 4.628 0.017 . 1 . 948 . . . . . . 17443 1 1032 . 1 1 92 92 LEU CB C 13 38.932 0.150 . 1 . 949 . . . . . . 17443 1 1033 . 1 1 92 92 LEU HB2 H 1 1.985 0.015 . 2 . 950 . . . . . . 17443 1 1034 . 1 1 92 92 LEU HB3 H 1 1.819 0.022 . 2 . 951 . . . . . . 17443 1 1035 . 1 1 92 92 LEU CG C 13 24.674 0.059 . 1 . 952 . . . . . . 17443 1 1036 . 1 1 92 92 LEU HG H 1 1.623 0.002 . 1 . 953 . . . . . . 17443 1 1037 . 1 1 92 92 LEU HD11 H 1 0.919 0.015 . 2 . 954 . . . . . . 17443 1 1038 . 1 1 92 92 LEU HD12 H 1 0.919 0.015 . 2 . 954 . . . . . . 17443 1 1039 . 1 1 92 92 LEU HD13 H 1 0.919 0.015 . 2 . 954 . . . . . . 17443 1 1040 . 1 1 92 92 LEU HD21 H 1 0.860 0.022 . 2 . 955 . . . . . . 17443 1 1041 . 1 1 92 92 LEU HD22 H 1 0.860 0.022 . 2 . 955 . . . . . . 17443 1 1042 . 1 1 92 92 LEU HD23 H 1 0.860 0.022 . 2 . 955 . . . . . . 17443 1 1043 . 1 1 92 92 LEU CD1 C 13 23.382 0.050 . 2 . 956 . . . . . . 17443 1 1044 . 1 1 92 92 LEU CD2 C 13 19.684 0.070 . 2 . 957 . . . . . . 17443 1 1045 . 1 1 92 92 LEU C C 13 174.242 0.150 . 1 . 958 . . . . . . 17443 1 1046 . 1 1 93 93 GLN N N 15 119.005 0.054 . 1 . 959 . . . . . . 17443 1 1047 . 1 1 93 93 GLN H H 1 7.895 0.007 . 1 . 960 . . . . . . 17443 1 1048 . 1 1 93 93 GLN CA C 13 53.860 0.059 . 1 . 961 . . . . . . 17443 1 1049 . 1 1 93 93 GLN HA H 1 4.521 0.015 . 1 . 962 . . . . . . 17443 1 1050 . 1 1 93 93 GLN CB C 13 26.963 0.062 . 1 . 963 . . . . . . 17443 1 1051 . 1 1 93 93 GLN HB2 H 1 2.238 0.015 . 2 . 964 . . . . . . 17443 1 1052 . 1 1 93 93 GLN HB3 H 1 2.147 0.015 . 2 . 965 . . . . . . 17443 1 1053 . 1 1 93 93 GLN CG C 13 31.342 0.067 . 1 . 966 . . . . . . 17443 1 1054 . 1 1 93 93 GLN HG2 H 1 2.499 0.015 . 2 . 967 . . . . . . 17443 1 1055 . 1 1 93 93 GLN HG3 H 1 2.436 0.006 . 2 . 968 . . . . . . 17443 1 1056 . 1 1 93 93 GLN NE2 N 15 111.127 0.006 . 1 . 969 . . . . . . 17443 1 1057 . 1 1 93 93 GLN HE21 H 1 7.491 0.005 . 1 . 970 . . . . . . 17443 1 1058 . 1 1 93 93 GLN HE22 H 1 6.822 0.015 . 1 . 971 . . . . . . 17443 1 1059 . 1 1 93 93 GLN C C 13 173.642 0.150 . 1 . 972 . . . . . . 17443 1 1060 . 1 1 94 94 ASN CA C 13 52.533 0.006 . 1 . 973 . . . . . . 17443 1 1061 . 1 1 94 94 ASN HA H 1 4.886 0.010 . 1 . 974 . . . . . . 17443 1 1062 . 1 1 94 94 ASN CB C 13 36.179 0.058 . 1 . 975 . . . . . . 17443 1 1063 . 1 1 94 94 ASN HB2 H 1 3.045 0.002 . 2 . 976 . . . . . . 17443 1 1064 . 1 1 94 94 ASN HB3 H 1 2.969 0.010 . 2 . 977 . . . . . . 17443 1 1065 . 1 1 94 94 ASN C C 13 173.299 0.150 . 1 . 978 . . . . . . 17443 1 1066 . 1 1 95 95 ARG N N 15 117.604 0.150 . 1 . 979 . . . . . . 17443 1 1067 . 1 1 95 95 ARG H H 1 7.934 0.015 . 1 . 980 . . . . . . 17443 1 1068 . 1 1 95 95 ARG CA C 13 52.054 0.079 . 1 . 981 . . . . . . 17443 1 1069 . 1 1 95 95 ARG HA H 1 4.779 0.018 . 1 . 982 . . . . . . 17443 1 1070 . 1 1 95 95 ARG CB C 13 27.310 0.030 . 1 . 983 . . . . . . 17443 1 1071 . 1 1 95 95 ARG HB2 H 1 2.160 0.008 . 2 . 984 . . . . . . 17443 1 1072 . 1 1 95 95 ARG HB3 H 1 1.395 0.009 . 2 . 985 . . . . . . 17443 1 1073 . 1 1 95 95 ARG CG C 13 24.908 0.229 . 1 . 986 . . . . . . 17443 1 1074 . 1 1 95 95 ARG HG2 H 1 1.718 0.007 . 2 . 987 . . . . . . 17443 1 1075 . 1 1 95 95 ARG HG3 H 1 1.645 0.008 . 2 . 988 . . . . . . 17443 1 1076 . 1 1 95 95 ARG CD C 13 40.675 0.060 . 1 . 989 . . . . . . 17443 1 1077 . 1 1 95 95 ARG HD2 H 1 3.249 0.014 . 1 . 990 . . . . . . 17443 1 1078 . 1 1 95 95 ARG HD3 H 1 3.249 0.014 . 1 . 991 . . . . . . 17443 1 1079 . 1 1 95 95 ARG C C 13 172.418 0.150 . 1 . 992 . . . . . . 17443 1 1080 . 1 1 96 96 TRP N N 15 121.502 0.001 . 1 . 993 . . . . . . 17443 1 1081 . 1 1 96 96 TRP H H 1 7.604 0.010 . 1 . 994 . . . . . . 17443 1 1082 . 1 1 96 96 TRP CA C 13 56.653 0.047 . 1 . 995 . . . . . . 17443 1 1083 . 1 1 96 96 TRP HA H 1 4.822 0.001 . 1 . 996 . . . . . . 17443 1 1084 . 1 1 96 96 TRP CB C 13 27.655 0.177 . 1 . 997 . . . . . . 17443 1 1085 . 1 1 96 96 TRP HB2 H 1 3.640 0.015 . 2 . 998 . . . . . . 17443 1 1086 . 1 1 96 96 TRP HB3 H 1 3.017 0.015 . 2 . 999 . . . . . . 17443 1 1087 . 1 1 96 96 TRP NE1 N 15 129.978 0.150 . 1 . 1000 . . . . . . 17443 1 1088 . 1 1 96 96 TRP HD1 H 1 7.408 0.015 . 1 . 1001 . . . . . . 17443 1 1089 . 1 1 96 96 TRP HE3 H 1 6.863 0.015 . 1 . 1002 . . . . . . 17443 1 1090 . 1 1 96 96 TRP HE1 H 1 9.996 0.015 . 1 . 1003 . . . . . . 17443 1 1091 . 1 1 96 96 TRP C C 13 173.063 0.150 . 1 . 1004 . . . . . . 17443 1 1092 . 1 1 97 97 SER N N 15 120.251 0.060 . 1 . 1005 . . . . . . 17443 1 1093 . 1 1 97 97 SER H H 1 5.473 0.010 . 1 . 1006 . . . . . . 17443 1 1094 . 1 1 97 97 SER CA C 13 50.642 0.057 . 1 . 1007 . . . . . . 17443 1 1095 . 1 1 97 97 SER HA H 1 4.609 0.010 . 1 . 1008 . . . . . . 17443 1 1096 . 1 1 97 97 SER CB C 13 62.086 0.039 . 1 . 1009 . . . . . . 17443 1 1097 . 1 1 97 97 SER HB2 H 1 3.386 0.015 . 2 . 1010 . . . . . . 17443 1 1098 . 1 1 97 97 SER HB3 H 1 2.356 0.015 . 2 . 1011 . . . . . . 17443 1 1099 . 1 1 98 98 PRO CD C 13 48.501 0.150 . 1 . 1012 . . . . . . 17443 1 1100 . 1 1 98 98 PRO CA C 13 60.948 0.040 . 1 . 1013 . . . . . . 17443 1 1101 . 1 1 98 98 PRO HA H 1 4.559 0.015 . 1 . 1014 . . . . . . 17443 1 1102 . 1 1 98 98 PRO CB C 13 29.299 0.053 . 1 . 1015 . . . . . . 17443 1 1103 . 1 1 98 98 PRO HB2 H 1 2.145 0.005 . 2 . 1016 . . . . . . 17443 1 1104 . 1 1 98 98 PRO HB3 H 1 1.906 0.012 . 2 . 1017 . . . . . . 17443 1 1105 . 1 1 98 98 PRO CG C 13 24.760 0.150 . 1 . 1018 . . . . . . 17443 1 1106 . 1 1 98 98 PRO C C 13 173.049 0.150 . 1 . 1019 . . . . . . 17443 1 1107 . 1 1 99 99 THR N N 15 107.775 0.047 . 1 . 1020 . . . . . . 17443 1 1108 . 1 1 99 99 THR H H 1 7.034 0.010 . 1 . 1021 . . . . . . 17443 1 1109 . 1 1 99 99 THR CA C 13 59.962 0.057 . 1 . 1022 . . . . . . 17443 1 1110 . 1 1 99 99 THR HA H 1 4.032 0.003 . 1 . 1023 . . . . . . 17443 1 1111 . 1 1 99 99 THR CB C 13 66.220 0.057 . 1 . 1024 . . . . . . 17443 1 1112 . 1 1 99 99 THR HB H 1 4.066 0.008 . 1 . 1025 . . . . . . 17443 1 1113 . 1 1 99 99 THR HG21 H 1 1.026 0.006 . 1 . 1026 . . . . . . 17443 1 1114 . 1 1 99 99 THR HG22 H 1 1.026 0.006 . 1 . 1026 . . . . . . 17443 1 1115 . 1 1 99 99 THR HG23 H 1 1.026 0.006 . 1 . 1026 . . . . . . 17443 1 1116 . 1 1 99 99 THR CG2 C 13 18.982 0.067 . 1 . 1027 . . . . . . 17443 1 1117 . 1 1 99 99 THR C C 13 173.363 0.150 . 1 . 1028 . . . . . . 17443 1 1118 . 1 1 100 100 TYR N N 15 123.118 0.033 . 1 . 1029 . . . . . . 17443 1 1119 . 1 1 100 100 TYR H H 1 7.192 0.005 . 1 . 1030 . . . . . . 17443 1 1120 . 1 1 100 100 TYR CA C 13 53.871 0.076 . 1 . 1031 . . . . . . 17443 1 1121 . 1 1 100 100 TYR HA H 1 4.544 0.005 . 1 . 1032 . . . . . . 17443 1 1122 . 1 1 100 100 TYR CB C 13 35.105 0.152 . 1 . 1033 . . . . . . 17443 1 1123 . 1 1 100 100 TYR HB2 H 1 2.437 0.002 . 2 . 1034 . . . . . . 17443 1 1124 . 1 1 100 100 TYR HB3 H 1 2.809 0.007 . 2 . 1035 . . . . . . 17443 1 1125 . 1 1 100 100 TYR C C 13 170.652 0.150 . 1 . 1036 . . . . . . 17443 1 1126 . 1 1 101 101 ASP N N 15 116.168 0.065 . 1 . 1037 . . . . . . 17443 1 1127 . 1 1 101 101 ASP H H 1 7.870 0.006 . 1 . 1038 . . . . . . 17443 1 1128 . 1 1 101 101 ASP CA C 13 48.834 0.103 . 1 . 1039 . . . . . . 17443 1 1129 . 1 1 101 101 ASP HA H 1 5.135 0.002 . 1 . 1040 . . . . . . 17443 1 1130 . 1 1 101 101 ASP CB C 13 40.948 0.048 . 1 . 1041 . . . . . . 17443 1 1131 . 1 1 101 101 ASP HB2 H 1 3.207 0.004 . 2 . 1042 . . . . . . 17443 1 1132 . 1 1 101 101 ASP HB3 H 1 2.795 0.015 . 2 . 1043 . . . . . . 17443 1 1133 . 1 1 101 101 ASP C C 13 174.264 0.150 . 1 . 1044 . . . . . . 17443 1 1134 . 1 1 102 102 VAL N N 15 117.412 0.047 . 1 . 1045 . . . . . . 17443 1 1135 . 1 1 102 102 VAL H H 1 7.572 0.004 . 1 . 1046 . . . . . . 17443 1 1136 . 1 1 102 102 VAL CA C 13 65.330 0.049 . 1 . 1047 . . . . . . 17443 1 1137 . 1 1 102 102 VAL HA H 1 3.536 0.002 . 1 . 1048 . . . . . . 17443 1 1138 . 1 1 102 102 VAL CB C 13 28.797 0.047 . 1 . 1049 . . . . . . 17443 1 1139 . 1 1 102 102 VAL HB H 1 1.845 0.013 . 1 . 1050 . . . . . . 17443 1 1140 . 1 1 102 102 VAL HG11 H 1 0.603 0.003 . 2 . 1051 . . . . . . 17443 1 1141 . 1 1 102 102 VAL HG12 H 1 0.603 0.003 . 2 . 1051 . . . . . . 17443 1 1142 . 1 1 102 102 VAL HG13 H 1 0.603 0.003 . 2 . 1051 . . . . . . 17443 1 1143 . 1 1 102 102 VAL HG21 H 1 0.819 0.001 . 2 . 1052 . . . . . . 17443 1 1144 . 1 1 102 102 VAL HG22 H 1 0.819 0.001 . 2 . 1052 . . . . . . 17443 1 1145 . 1 1 102 102 VAL HG23 H 1 0.819 0.001 . 2 . 1052 . . . . . . 17443 1 1146 . 1 1 102 102 VAL CG1 C 13 20.537 0.023 . 2 . 1053 . . . . . . 17443 1 1147 . 1 1 102 102 VAL CG2 C 13 19.062 0.131 . 2 . 1054 . . . . . . 17443 1 1148 . 1 1 102 102 VAL C C 13 174.735 0.150 . 1 . 1055 . . . . . . 17443 1 1149 . 1 1 103 103 SER N N 15 114.894 0.070 . 1 . 1056 . . . . . . 17443 1 1150 . 1 1 103 103 SER H H 1 8.107 0.010 . 1 . 1057 . . . . . . 17443 1 1151 . 1 1 103 103 SER CA C 13 60.265 0.013 . 1 . 1058 . . . . . . 17443 1 1152 . 1 1 103 103 SER HA H 1 4.004 0.015 . 1 . 1059 . . . . . . 17443 1 1153 . 1 1 103 103 SER CB C 13 60.196 0.064 . 1 . 1060 . . . . . . 17443 1 1154 . 1 1 103 103 SER HB2 H 1 4.149 0.006 . 2 . 1061 . . . . . . 17443 1 1155 . 1 1 103 103 SER HB3 H 1 3.943 0.011 . 2 . 1062 . . . . . . 17443 1 1156 . 1 1 103 103 SER C C 13 173.441 0.150 . 1 . 1063 . . . . . . 17443 1 1157 . 1 1 104 104 SER N N 15 117.245 0.023 . 1 . 1064 . . . . . . 17443 1 1158 . 1 1 104 104 SER H H 1 8.379 0.005 . 1 . 1065 . . . . . . 17443 1 1159 . 1 1 104 104 SER CA C 13 59.148 0.150 . 1 . 1066 . . . . . . 17443 1 1160 . 1 1 104 104 SER HA H 1 4.391 0.015 . 1 . 1067 . . . . . . 17443 1 1161 . 1 1 104 104 SER CB C 13 60.220 0.150 . 1 . 1068 . . . . . . 17443 1 1162 . 1 1 104 104 SER HB2 H 1 4.124 0.015 . 2 . 1069 . . . . . . 17443 1 1163 . 1 1 104 104 SER HB3 H 1 3.979 0.015 . 2 . 1070 . . . . . . 17443 1 1164 . 1 1 104 104 SER C C 13 175.077 0.150 . 1 . 1071 . . . . . . 17443 1 1165 . 1 1 105 105 ILE N N 15 123.742 0.150 . 1 . 1072 . . . . . . 17443 1 1166 . 1 1 105 105 ILE H H 1 8.355 0.015 . 1 . 1073 . . . . . . 17443 1 1167 . 1 1 105 105 ILE CA C 13 63.326 0.069 . 1 . 1074 . . . . . . 17443 1 1168 . 1 1 105 105 ILE HA H 1 3.588 0.006 . 1 . 1075 . . . . . . 17443 1 1169 . 1 1 105 105 ILE CB C 13 35.780 0.026 . 1 . 1076 . . . . . . 17443 1 1170 . 1 1 105 105 ILE HB H 1 2.119 0.015 . 1 . 1077 . . . . . . 17443 1 1171 . 1 1 105 105 ILE HG21 H 1 0.946 0.005 . 1 . 1078 . . . . . . 17443 1 1172 . 1 1 105 105 ILE HG22 H 1 0.946 0.005 . 1 . 1078 . . . . . . 17443 1 1173 . 1 1 105 105 ILE HG23 H 1 0.946 0.005 . 1 . 1078 . . . . . . 17443 1 1174 . 1 1 105 105 ILE HG12 H 1 1.053 0.014 . 1 . 1079 . . . . . . 17443 1 1175 . 1 1 105 105 ILE HG13 H 1 1.053 0.014 . 1 . 1080 . . . . . . 17443 1 1176 . 1 1 105 105 ILE HD11 H 1 0.758 0.011 . 1 . 1081 . . . . . . 17443 1 1177 . 1 1 105 105 ILE HD12 H 1 0.758 0.011 . 1 . 1081 . . . . . . 17443 1 1178 . 1 1 105 105 ILE HD13 H 1 0.758 0.011 . 1 . 1081 . . . . . . 17443 1 1179 . 1 1 105 105 ILE CD1 C 13 14.320 0.168 . 1 . 1082 . . . . . . 17443 1 1180 . 1 1 106 106 LEU N N 15 117.626 0.150 . 1 . 1083 . . . . . . 17443 1 1181 . 1 1 106 106 LEU H H 1 8.357 0.011 . 1 . 1084 . . . . . . 17443 1 1182 . 1 1 106 106 LEU CA C 13 55.871 0.172 . 1 . 1085 . . . . . . 17443 1 1183 . 1 1 106 106 LEU HA H 1 3.962 0.015 . 1 . 1086 . . . . . . 17443 1 1184 . 1 1 106 106 LEU CB C 13 38.780 0.097 . 1 . 1087 . . . . . . 17443 1 1185 . 1 1 106 106 LEU HB2 H 1 2.076 0.015 . 2 . 1088 . . . . . . 17443 1 1186 . 1 1 106 106 LEU HB3 H 1 1.320 0.023 . 2 . 1089 . . . . . . 17443 1 1187 . 1 1 106 106 LEU CG C 13 23.830 0.077 . 1 . 1090 . . . . . . 17443 1 1188 . 1 1 106 106 LEU HG H 1 1.966 0.010 . 1 . 1091 . . . . . . 17443 1 1189 . 1 1 106 106 LEU HD11 H 1 0.822 0.015 . 2 . 1092 . . . . . . 17443 1 1190 . 1 1 106 106 LEU HD12 H 1 0.822 0.015 . 2 . 1092 . . . . . . 17443 1 1191 . 1 1 106 106 LEU HD13 H 1 0.822 0.015 . 2 . 1092 . . . . . . 17443 1 1192 . 1 1 106 106 LEU HD21 H 1 0.665 0.013 . 2 . 1093 . . . . . . 17443 1 1193 . 1 1 106 106 LEU HD22 H 1 0.665 0.013 . 2 . 1093 . . . . . . 17443 1 1194 . 1 1 106 106 LEU HD23 H 1 0.665 0.013 . 2 . 1093 . . . . . . 17443 1 1195 . 1 1 106 106 LEU CD1 C 13 23.453 0.101 . 2 . 1094 . . . . . . 17443 1 1196 . 1 1 106 106 LEU CD2 C 13 19.756 0.086 . 2 . 1095 . . . . . . 17443 1 1197 . 1 1 106 106 LEU C C 13 176.825 0.150 . 1 . 1096 . . . . . . 17443 1 1198 . 1 1 107 107 THR N N 15 111.709 0.032 . 1 . 1097 . . . . . . 17443 1 1199 . 1 1 107 107 THR H H 1 8.633 0.005 . 1 . 1098 . . . . . . 17443 1 1200 . 1 1 107 107 THR CA C 13 63.360 0.061 . 1 . 1099 . . . . . . 17443 1 1201 . 1 1 107 107 THR HA H 1 4.197 0.008 . 1 . 1100 . . . . . . 17443 1 1202 . 1 1 107 107 THR CB C 13 65.834 0.067 . 1 . 1101 . . . . . . 17443 1 1203 . 1 1 107 107 THR HB H 1 4.390 0.009 . 1 . 1102 . . . . . . 17443 1 1204 . 1 1 107 107 THR HG21 H 1 1.424 0.015 . 1 . 1103 . . . . . . 17443 1 1205 . 1 1 107 107 THR HG22 H 1 1.424 0.015 . 1 . 1103 . . . . . . 17443 1 1206 . 1 1 107 107 THR HG23 H 1 1.424 0.015 . 1 . 1103 . . . . . . 17443 1 1207 . 1 1 107 107 THR CG2 C 13 19.868 0.070 . 1 . 1104 . . . . . . 17443 1 1208 . 1 1 107 107 THR C C 13 175.530 0.150 . 1 . 1105 . . . . . . 17443 1 1209 . 1 1 108 108 SER N N 15 120.457 0.028 . 1 . 1106 . . . . . . 17443 1 1210 . 1 1 108 108 SER H H 1 8.021 0.007 . 1 . 1107 . . . . . . 17443 1 1211 . 1 1 108 108 SER CA C 13 60.328 0.034 . 1 . 1108 . . . . . . 17443 1 1212 . 1 1 108 108 SER HA H 1 4.386 0.009 . 1 . 1109 . . . . . . 17443 1 1213 . 1 1 108 108 SER CB C 13 60.247 0.116 . 1 . 1110 . . . . . . 17443 1 1214 . 1 1 108 108 SER HB2 H 1 4.193 0.024 . 2 . 1111 . . . . . . 17443 1 1215 . 1 1 108 108 SER HB3 H 1 3.887 0.014 . 2 . 1112 . . . . . . 17443 1 1216 . 1 1 108 108 SER C C 13 174.321 0.150 . 1 . 1113 . . . . . . 17443 1 1217 . 1 1 109 109 ILE N N 15 123.025 0.068 . 1 . 1114 . . . . . . 17443 1 1218 . 1 1 109 109 ILE H H 1 8.018 0.003 . 1 . 1115 . . . . . . 17443 1 1219 . 1 1 109 109 ILE CA C 13 62.773 0.117 . 1 . 1116 . . . . . . 17443 1 1220 . 1 1 109 109 ILE HA H 1 3.540 0.004 . 1 . 1117 . . . . . . 17443 1 1221 . 1 1 109 109 ILE CB C 13 34.929 0.090 . 1 . 1118 . . . . . . 17443 1 1222 . 1 1 109 109 ILE HB H 1 1.797 0.015 . 1 . 1119 . . . . . . 17443 1 1223 . 1 1 109 109 ILE HG21 H 1 0.671 0.015 . 1 . 1120 . . . . . . 17443 1 1224 . 1 1 109 109 ILE HG22 H 1 0.671 0.015 . 1 . 1120 . . . . . . 17443 1 1225 . 1 1 109 109 ILE HG23 H 1 0.671 0.015 . 1 . 1120 . . . . . . 17443 1 1226 . 1 1 109 109 ILE CG2 C 13 15.709 0.061 . 1 . 1121 . . . . . . 17443 1 1227 . 1 1 109 109 ILE CG1 C 13 26.974 0.066 . 1 . 1122 . . . . . . 17443 1 1228 . 1 1 109 109 ILE HG12 H 1 1.925 0.015 . 2 . 1123 . . . . . . 17443 1 1229 . 1 1 109 109 ILE HG13 H 1 0.717 0.015 . 2 . 1124 . . . . . . 17443 1 1230 . 1 1 109 109 ILE HD11 H 1 0.562 0.015 . 1 . 1125 . . . . . . 17443 1 1231 . 1 1 109 109 ILE HD12 H 1 0.562 0.015 . 1 . 1125 . . . . . . 17443 1 1232 . 1 1 109 109 ILE HD13 H 1 0.562 0.015 . 1 . 1125 . . . . . . 17443 1 1233 . 1 1 109 109 ILE CD1 C 13 12.603 0.085 . 1 . 1126 . . . . . . 17443 1 1234 . 1 1 109 109 ILE C C 13 174.207 0.150 . 1 . 1127 . . . . . . 17443 1 1235 . 1 1 110 110 GLN N N 15 119.520 0.039 . 1 . 1128 . . . . . . 17443 1 1236 . 1 1 110 110 GLN H H 1 8.116 0.006 . 1 . 1129 . . . . . . 17443 1 1237 . 1 1 110 110 GLN CA C 13 57.714 0.047 . 1 . 1130 . . . . . . 17443 1 1238 . 1 1 110 110 GLN HA H 1 3.754 0.004 . 1 . 1131 . . . . . . 17443 1 1239 . 1 1 110 110 GLN CB C 13 27.183 0.103 . 1 . 1132 . . . . . . 17443 1 1240 . 1 1 110 110 GLN HB2 H 1 2.498 0.001 . 2 . 1133 . . . . . . 17443 1 1241 . 1 1 110 110 GLN HB3 H 1 2.114 0.008 . 2 . 1134 . . . . . . 17443 1 1242 . 1 1 110 110 GLN CG C 13 31.749 0.098 . 1 . 1135 . . . . . . 17443 1 1243 . 1 1 110 110 GLN HG2 H 1 2.318 0.004 . 2 . 1136 . . . . . . 17443 1 1244 . 1 1 110 110 GLN HG3 H 1 2.452 0.016 . 2 . 1137 . . . . . . 17443 1 1245 . 1 1 110 110 GLN NE2 N 15 111.433 0.193 . 1 . 1138 . . . . . . 17443 1 1246 . 1 1 110 110 GLN HE21 H 1 7.790 0.010 . 1 . 1139 . . . . . . 17443 1 1247 . 1 1 110 110 GLN HE22 H 1 6.918 0.003 . 1 . 1140 . . . . . . 17443 1 1248 . 1 1 110 110 GLN C C 13 175.540 0.150 . 1 . 1141 . . . . . . 17443 1 1249 . 1 1 111 111 SER N N 15 112.948 0.025 . 1 . 1142 . . . . . . 17443 1 1250 . 1 1 111 111 SER H H 1 8.167 0.013 . 1 . 1143 . . . . . . 17443 1 1251 . 1 1 111 111 SER CA C 13 59.107 0.174 . 1 . 1144 . . . . . . 17443 1 1252 . 1 1 111 111 SER HA H 1 4.375 0.013 . 1 . 1145 . . . . . . 17443 1 1253 . 1 1 111 111 SER CB C 13 60.487 0.054 . 1 . 1146 . . . . . . 17443 1 1254 . 1 1 111 111 SER HB2 H 1 4.101 0.004 . 2 . 1147 . . . . . . 17443 1 1255 . 1 1 111 111 SER HB3 H 1 3.944 0.004 . 2 . 1148 . . . . . . 17443 1 1256 . 1 1 111 111 SER C C 13 173.329 0.150 . 1 . 1149 . . . . . . 17443 1 1257 . 1 1 112 112 LEU N N 15 122.721 0.098 . 1 . 1150 . . . . . . 17443 1 1258 . 1 1 112 112 LEU H H 1 7.592 0.007 . 1 . 1151 . . . . . . 17443 1 1259 . 1 1 112 112 LEU CA C 13 53.646 0.046 . 1 . 1152 . . . . . . 17443 1 1260 . 1 1 112 112 LEU HA H 1 4.222 0.009 . 1 . 1153 . . . . . . 17443 1 1261 . 1 1 112 112 LEU CB C 13 39.847 0.061 . 1 . 1154 . . . . . . 17443 1 1262 . 1 1 112 112 LEU HB2 H 1 1.811 0.010 . 2 . 1155 . . . . . . 17443 1 1263 . 1 1 112 112 LEU HB3 H 1 1.708 0.007 . 2 . 1156 . . . . . . 17443 1 1264 . 1 1 112 112 LEU HD11 H 1 1.731 0.015 . 2 . 1157 . . . . . . 17443 1 1265 . 1 1 112 112 LEU HD12 H 1 1.731 0.015 . 2 . 1157 . . . . . . 17443 1 1266 . 1 1 112 112 LEU HD13 H 1 1.731 0.015 . 2 . 1157 . . . . . . 17443 1 1267 . 1 1 112 112 LEU HD21 H 1 0.778 0.008 . 2 . 1158 . . . . . . 17443 1 1268 . 1 1 112 112 LEU HD22 H 1 0.778 0.008 . 2 . 1158 . . . . . . 17443 1 1269 . 1 1 112 112 LEU HD23 H 1 0.778 0.008 . 2 . 1158 . . . . . . 17443 1 1270 . 1 1 112 112 LEU CD1 C 13 23.776 0.150 . 2 . 1159 . . . . . . 17443 1 1271 . 1 1 112 112 LEU CD2 C 13 22.217 0.139 . 2 . 1160 . . . . . . 17443 1 1272 . 1 1 112 112 LEU C C 13 177.041 0.150 . 1 . 1161 . . . . . . 17443 1 1273 . 1 1 113 113 LEU N N 15 116.844 0.024 . 1 . 1162 . . . . . . 17443 1 1274 . 1 1 113 113 LEU H H 1 7.434 0.008 . 1 . 1163 . . . . . . 17443 1 1275 . 1 1 113 113 LEU CA C 13 55.247 0.113 . 1 . 1164 . . . . . . 17443 1 1276 . 1 1 113 113 LEU HA H 1 3.547 0.016 . 1 . 1165 . . . . . . 17443 1 1277 . 1 1 113 113 LEU CB C 13 37.062 0.066 . 1 . 1166 . . . . . . 17443 1 1278 . 1 1 113 113 LEU HB2 H 1 1.826 0.015 . 2 . 1167 . . . . . . 17443 1 1279 . 1 1 113 113 LEU HB3 H 1 0.637 0.018 . 2 . 1168 . . . . . . 17443 1 1280 . 1 1 113 113 LEU CG C 13 23.413 0.007 . 1 . 1169 . . . . . . 17443 1 1281 . 1 1 113 113 LEU HG H 1 1.586 0.011 . 1 . 1170 . . . . . . 17443 1 1282 . 1 1 113 113 LEU HD11 H 1 0.568 0.011 . 2 . 1171 . . . . . . 17443 1 1283 . 1 1 113 113 LEU HD12 H 1 0.568 0.011 . 2 . 1171 . . . . . . 17443 1 1284 . 1 1 113 113 LEU HD13 H 1 0.568 0.011 . 2 . 1171 . . . . . . 17443 1 1285 . 1 1 113 113 LEU HD21 H 1 -0.256 0.002 . 2 . 1172 . . . . . . 17443 1 1286 . 1 1 113 113 LEU HD22 H 1 -0.256 0.002 . 2 . 1172 . . . . . . 17443 1 1287 . 1 1 113 113 LEU HD23 H 1 -0.256 0.002 . 2 . 1172 . . . . . . 17443 1 1288 . 1 1 113 113 LEU CD1 C 13 22.886 0.132 . 2 . 1173 . . . . . . 17443 1 1289 . 1 1 113 113 LEU CD2 C 13 18.240 0.055 . 2 . 1174 . . . . . . 17443 1 1290 . 1 1 113 113 LEU C C 13 173.749 0.150 . 1 . 1175 . . . . . . 17443 1 1291 . 1 1 114 114 ASP N N 15 115.222 0.107 . 1 . 1176 . . . . . . 17443 1 1292 . 1 1 114 114 ASP H H 1 7.370 0.008 . 1 . 1177 . . . . . . 17443 1 1293 . 1 1 114 114 ASP CA C 13 52.686 0.164 . 1 . 1178 . . . . . . 17443 1 1294 . 1 1 114 114 ASP HA H 1 4.904 0.015 . 1 . 1179 . . . . . . 17443 1 1295 . 1 1 114 114 ASP CB C 13 40.952 0.039 . 1 . 1180 . . . . . . 17443 1 1296 . 1 1 114 114 ASP HB2 H 1 2.655 0.006 . 2 . 1181 . . . . . . 17443 1 1297 . 1 1 114 114 ASP HB3 H 1 3.035 0.015 . 2 . 1182 . . . . . . 17443 1 1298 . 1 1 114 114 ASP C C 13 172.679 0.150 . 1 . 1183 . . . . . . 17443 1 1299 . 1 1 115 115 GLU N N 15 117.819 0.034 . 1 . 1184 . . . . . . 17443 1 1300 . 1 1 115 115 GLU H H 1 7.789 0.005 . 1 . 1185 . . . . . . 17443 1 1301 . 1 1 115 115 GLU CA C 13 50.672 0.086 . 1 . 1186 . . . . . . 17443 1 1302 . 1 1 115 115 GLU HA H 1 4.828 0.015 . 1 . 1187 . . . . . . 17443 1 1303 . 1 1 115 115 GLU CB C 13 28.644 0.112 . 1 . 1188 . . . . . . 17443 1 1304 . 1 1 115 115 GLU HB2 H 1 2.090 0.015 . 2 . 1189 . . . . . . 17443 1 1305 . 1 1 115 115 GLU HB3 H 1 1.912 0.015 . 2 . 1190 . . . . . . 17443 1 1306 . 1 1 115 115 GLU CG C 13 33.742 0.077 . 1 . 1191 . . . . . . 17443 1 1307 . 1 1 115 115 GLU HG2 H 1 2.268 0.015 . 1 . 1192 . . . . . . 17443 1 1308 . 1 1 115 115 GLU HG3 H 1 2.268 0.015 . 1 . 1193 . . . . . . 17443 1 1309 . 1 1 116 116 PRO CD C 13 47.717 0.078 . 1 . 1194 . . . . . . 17443 1 1310 . 1 1 116 116 PRO CA C 13 59.618 0.130 . 1 . 1195 . . . . . . 17443 1 1311 . 1 1 116 116 PRO HA H 1 4.525 0.015 . 1 . 1196 . . . . . . 17443 1 1312 . 1 1 116 116 PRO CB C 13 29.820 0.055 . 1 . 1197 . . . . . . 17443 1 1313 . 1 1 116 116 PRO HB2 H 1 0.992 0.015 . 2 . 1198 . . . . . . 17443 1 1314 . 1 1 116 116 PRO HB3 H 1 1.457 0.015 . 2 . 1199 . . . . . . 17443 1 1315 . 1 1 116 116 PRO CG C 13 23.895 0.265 . 1 . 1200 . . . . . . 17443 1 1316 . 1 1 116 116 PRO HG2 H 1 1.111 0.020 . 2 . 1201 . . . . . . 17443 1 1317 . 1 1 116 116 PRO HG3 H 1 0.818 0.016 . 2 . 1202 . . . . . . 17443 1 1318 . 1 1 116 116 PRO HD2 H 1 3.452 0.016 . 2 . 1203 . . . . . . 17443 1 1319 . 1 1 116 116 PRO HD3 H 1 3.525 0.015 . 2 . 1204 . . . . . . 17443 1 1320 . 1 1 116 116 PRO C C 13 172.741 0.150 . 1 . 1205 . . . . . . 17443 1 1321 . 1 1 117 117 ASN N N 15 119.345 0.090 . 1 . 1206 . . . . . . 17443 1 1322 . 1 1 117 117 ASN H H 1 9.493 0.005 . 1 . 1207 . . . . . . 17443 1 1323 . 1 1 117 117 ASN CA C 13 47.138 0.030 . 1 . 1208 . . . . . . 17443 1 1324 . 1 1 117 117 ASN HA H 1 5.248 0.015 . 1 . 1209 . . . . . . 17443 1 1325 . 1 1 117 117 ASN CB C 13 36.772 0.101 . 1 . 1210 . . . . . . 17443 1 1326 . 1 1 117 117 ASN HB2 H 1 3.052 0.015 . 2 . 1211 . . . . . . 17443 1 1327 . 1 1 117 117 ASN HB3 H 1 2.837 0.015 . 2 . 1212 . . . . . . 17443 1 1328 . 1 1 118 118 PRO CD C 13 48.547 0.045 . 1 . 1213 . . . . . . 17443 1 1329 . 1 1 118 118 PRO CA C 13 61.303 0.045 . 1 . 1214 . . . . . . 17443 1 1330 . 1 1 118 118 PRO HA H 1 4.166 0.009 . 1 . 1215 . . . . . . 17443 1 1331 . 1 1 118 118 PRO CB C 13 29.620 0.125 . 1 . 1216 . . . . . . 17443 1 1332 . 1 1 118 118 PRO HB2 H 1 2.165 0.009 . 2 . 1217 . . . . . . 17443 1 1333 . 1 1 118 118 PRO HB3 H 1 2.101 0.018 . 2 . 1218 . . . . . . 17443 1 1334 . 1 1 118 118 PRO CG C 13 24.238 0.150 . 1 . 1219 . . . . . . 17443 1 1335 . 1 1 118 118 PRO HG2 H 1 2.010 0.006 . 1 . 1220 . . . . . . 17443 1 1336 . 1 1 118 118 PRO HG3 H 1 2.010 0.006 . 1 . 1221 . . . . . . 17443 1 1337 . 1 1 118 118 PRO HD2 H 1 4.001 0.010 . 2 . 1222 . . . . . . 17443 1 1338 . 1 1 118 118 PRO HD3 H 1 3.886 0.011 . 2 . 1223 . . . . . . 17443 1 1339 . 1 1 118 118 PRO C C 13 173.144 0.150 . 1 . 1224 . . . . . . 17443 1 1340 . 1 1 119 119 ASN N N 15 115.253 0.150 . 1 . 1225 . . . . . . 17443 1 1341 . 1 1 119 119 ASN H H 1 8.030 0.005 . 1 . 1226 . . . . . . 17443 1 1342 . 1 1 119 119 ASN CA C 13 51.347 0.092 . 1 . 1227 . . . . . . 17443 1 1343 . 1 1 119 119 ASN HA H 1 4.684 0.015 . 1 . 1228 . . . . . . 17443 1 1344 . 1 1 119 119 ASN CB C 13 36.415 0.196 . 1 . 1229 . . . . . . 17443 1 1345 . 1 1 119 119 ASN HB2 H 1 2.932 0.005 . 2 . 1230 . . . . . . 17443 1 1346 . 1 1 119 119 ASN HB3 H 1 2.844 0.015 . 2 . 1231 . . . . . . 17443 1 1347 . 1 1 119 119 ASN C C 13 172.192 0.150 . 1 . 1232 . . . . . . 17443 1 1348 . 1 1 120 120 SER N N 15 113.517 0.150 . 1 . 1233 . . . . . . 17443 1 1349 . 1 1 120 120 SER H H 1 7.068 0.003 . 1 . 1234 . . . . . . 17443 1 1350 . 1 1 120 120 SER CA C 13 52.529 0.119 . 1 . 1235 . . . . . . 17443 1 1351 . 1 1 120 120 SER HA H 1 4.809 0.013 . 1 . 1236 . . . . . . 17443 1 1352 . 1 1 120 120 SER CB C 13 61.231 0.153 . 1 . 1237 . . . . . . 17443 1 1353 . 1 1 120 120 SER HB2 H 1 3.984 0.011 . 2 . 1238 . . . . . . 17443 1 1354 . 1 1 120 120 SER HB3 H 1 3.635 0.011 . 2 . 1239 . . . . . . 17443 1 1355 . 1 1 121 121 PRO CD C 13 47.142 0.081 . 1 . 1240 . . . . . . 17443 1 1356 . 1 1 121 121 PRO CA C 13 60.061 0.070 . 1 . 1241 . . . . . . 17443 1 1357 . 1 1 121 121 PRO HA H 1 4.218 0.015 . 1 . 1242 . . . . . . 17443 1 1358 . 1 1 121 121 PRO CB C 13 28.164 0.067 . 1 . 1243 . . . . . . 17443 1 1359 . 1 1 121 121 PRO HB2 H 1 1.861 0.009 . 2 . 1244 . . . . . . 17443 1 1360 . 1 1 121 121 PRO HB3 H 1 1.836 0.015 . 2 . 1245 . . . . . . 17443 1 1361 . 1 1 121 121 PRO CG C 13 24.713 0.076 . 1 . 1246 . . . . . . 17443 1 1362 . 1 1 121 121 PRO HG2 H 1 2.062 0.015 . 2 . 1247 . . . . . . 17443 1 1363 . 1 1 121 121 PRO HG3 H 1 1.988 0.009 . 2 . 1248 . . . . . . 17443 1 1364 . 1 1 121 121 PRO HD2 H 1 3.370 0.012 . 2 . 1249 . . . . . . 17443 1 1365 . 1 1 121 121 PRO HD3 H 1 3.553 0.011 . 2 . 1250 . . . . . . 17443 1 1366 . 1 1 121 121 PRO C C 13 172.292 0.150 . 1 . 1251 . . . . . . 17443 1 1367 . 1 1 122 122 ALA N N 15 128.590 0.040 . 1 . 1252 . . . . . . 17443 1 1368 . 1 1 122 122 ALA H H 1 8.570 0.006 . 1 . 1253 . . . . . . 17443 1 1369 . 1 1 122 122 ALA CA C 13 50.970 0.031 . 1 . 1254 . . . . . . 17443 1 1370 . 1 1 122 122 ALA HA H 1 3.873 0.016 . 1 . 1255 . . . . . . 17443 1 1371 . 1 1 122 122 ALA HB1 H 1 0.211 0.018 . 1 . 1256 . . . . . . 17443 1 1372 . 1 1 122 122 ALA HB2 H 1 0.211 0.018 . 1 . 1256 . . . . . . 17443 1 1373 . 1 1 122 122 ALA HB3 H 1 0.211 0.018 . 1 . 1256 . . . . . . 17443 1 1374 . 1 1 122 122 ALA CB C 13 15.598 0.036 . 1 . 1257 . . . . . . 17443 1 1375 . 1 1 122 122 ALA C C 13 174.286 0.150 . 1 . 1258 . . . . . . 17443 1 1376 . 1 1 123 123 ASN N N 15 115.163 0.025 . 1 . 1259 . . . . . . 17443 1 1377 . 1 1 123 123 ASN H H 1 7.306 0.022 . 1 . 1260 . . . . . . 17443 1 1378 . 1 1 123 123 ASN CA C 13 48.743 0.109 . 1 . 1261 . . . . . . 17443 1 1379 . 1 1 123 123 ASN HA H 1 4.873 0.005 . 1 . 1262 . . . . . . 17443 1 1380 . 1 1 123 123 ASN CB C 13 35.661 0.001 . 1 . 1263 . . . . . . 17443 1 1381 . 1 1 123 123 ASN HB2 H 1 3.069 0.015 . 2 . 1264 . . . . . . 17443 1 1382 . 1 1 123 123 ASN HB3 H 1 3.052 0.015 . 2 . 1265 . . . . . . 17443 1 1383 . 1 1 124 124 SER CA C 13 59.871 0.150 . 1 . 1266 . . . . . . 17443 1 1384 . 1 1 124 124 SER CB C 13 63.779 0.150 . 1 . 1267 . . . . . . 17443 1 1385 . 1 1 125 125 GLN N N 15 122.781 0.150 . 1 . 1268 . . . . . . 17443 1 1386 . 1 1 125 125 GLN H H 1 8.280 0.015 . 1 . 1269 . . . . . . 17443 1 1387 . 1 1 125 125 GLN CA C 13 56.633 0.049 . 1 . 1270 . . . . . . 17443 1 1388 . 1 1 125 125 GLN HA H 1 4.328 0.015 . 1 . 1271 . . . . . . 17443 1 1389 . 1 1 125 125 GLN CB C 13 26.109 0.052 . 1 . 1272 . . . . . . 17443 1 1390 . 1 1 125 125 GLN HB2 H 1 2.398 0.010 . 2 . 1273 . . . . . . 17443 1 1391 . 1 1 125 125 GLN HB3 H 1 2.352 0.011 . 2 . 1274 . . . . . . 17443 1 1392 . 1 1 125 125 GLN CG C 13 31.969 0.055 . 1 . 1275 . . . . . . 17443 1 1393 . 1 1 125 125 GLN HG2 H 1 2.682 0.008 . 2 . 1276 . . . . . . 17443 1 1394 . 1 1 125 125 GLN HG3 H 1 2.514 0.017 . 2 . 1277 . . . . . . 17443 1 1395 . 1 1 125 125 GLN NE2 N 15 110.742 0.028 . 1 . 1278 . . . . . . 17443 1 1396 . 1 1 125 125 GLN HE21 H 1 7.333 0.007 . 1 . 1279 . . . . . . 17443 1 1397 . 1 1 125 125 GLN HE22 H 1 6.751 0.008 . 1 . 1280 . . . . . . 17443 1 1398 . 1 1 125 125 GLN C C 13 175.809 0.150 . 1 . 1281 . . . . . . 17443 1 1399 . 1 1 126 126 ALA N N 15 120.554 0.087 . 1 . 1282 . . . . . . 17443 1 1400 . 1 1 126 126 ALA H H 1 7.295 0.006 . 1 . 1283 . . . . . . 17443 1 1401 . 1 1 126 126 ALA CA C 13 52.231 0.063 . 1 . 1284 . . . . . . 17443 1 1402 . 1 1 126 126 ALA HA H 1 3.871 0.015 . 1 . 1285 . . . . . . 17443 1 1403 . 1 1 126 126 ALA HB1 H 1 0.174 0.005 . 1 . 1286 . . . . . . 17443 1 1404 . 1 1 126 126 ALA HB2 H 1 0.174 0.005 . 1 . 1286 . . . . . . 17443 1 1405 . 1 1 126 126 ALA HB3 H 1 0.174 0.005 . 1 . 1286 . . . . . . 17443 1 1406 . 1 1 126 126 ALA CB C 13 13.910 0.067 . 1 . 1287 . . . . . . 17443 1 1407 . 1 1 126 126 ALA C C 13 176.160 0.150 . 1 . 1288 . . . . . . 17443 1 1408 . 1 1 127 127 ALA N N 15 118.982 0.045 . 1 . 1289 . . . . . . 17443 1 1409 . 1 1 127 127 ALA H H 1 8.292 0.005 . 1 . 1290 . . . . . . 17443 1 1410 . 1 1 127 127 ALA CA C 13 52.990 0.065 . 1 . 1291 . . . . . . 17443 1 1411 . 1 1 127 127 ALA HA H 1 3.769 0.015 . 1 . 1292 . . . . . . 17443 1 1412 . 1 1 127 127 ALA HB1 H 1 1.511 0.015 . 1 . 1293 . . . . . . 17443 1 1413 . 1 1 127 127 ALA HB2 H 1 1.511 0.015 . 1 . 1293 . . . . . . 17443 1 1414 . 1 1 127 127 ALA HB3 H 1 1.511 0.015 . 1 . 1293 . . . . . . 17443 1 1415 . 1 1 127 127 ALA CB C 13 15.973 0.045 . 1 . 1294 . . . . . . 17443 1 1416 . 1 1 127 127 ALA C C 13 176.270 0.150 . 1 . 1295 . . . . . . 17443 1 1417 . 1 1 128 128 GLN N N 15 117.737 0.150 . 1 . 1296 . . . . . . 17443 1 1418 . 1 1 128 128 GLN H H 1 8.138 0.015 . 1 . 1297 . . . . . . 17443 1 1419 . 1 1 128 128 GLN CA C 13 56.577 0.041 . 1 . 1298 . . . . . . 17443 1 1420 . 1 1 128 128 GLN HA H 1 4.147 0.015 . 1 . 1299 . . . . . . 17443 1 1421 . 1 1 128 128 GLN CB C 13 25.478 0.081 . 1 . 1300 . . . . . . 17443 1 1422 . 1 1 128 128 GLN HB2 H 1 2.258 0.017 . 1 . 1301 . . . . . . 17443 1 1423 . 1 1 128 128 GLN HB3 H 1 2.258 0.017 . 1 . 1302 . . . . . . 17443 1 1424 . 1 1 128 128 GLN CG C 13 30.893 0.050 . 1 . 1303 . . . . . . 17443 1 1425 . 1 1 128 128 GLN HG2 H 1 2.545 0.008 . 2 . 1304 . . . . . . 17443 1 1426 . 1 1 128 128 GLN HG3 H 1 2.362 0.011 . 2 . 1305 . . . . . . 17443 1 1427 . 1 1 128 128 GLN NE2 N 15 111.266 0.008 . 1 . 1306 . . . . . . 17443 1 1428 . 1 1 128 128 GLN HE21 H 1 7.660 0.001 . 1 . 1307 . . . . . . 17443 1 1429 . 1 1 128 128 GLN HE22 H 1 6.732 0.003 . 1 . 1308 . . . . . . 17443 1 1430 . 1 1 128 128 GLN C C 13 175.993 0.150 . 1 . 1309 . . . . . . 17443 1 1431 . 1 1 129 129 LEU N N 15 118.902 0.051 . 1 . 1310 . . . . . . 17443 1 1432 . 1 1 129 129 LEU H H 1 8.172 0.009 . 1 . 1311 . . . . . . 17443 1 1433 . 1 1 129 129 LEU CA C 13 55.385 0.055 . 1 . 1312 . . . . . . 17443 1 1434 . 1 1 129 129 LEU HA H 1 4.132 0.015 . 1 . 1313 . . . . . . 17443 1 1435 . 1 1 129 129 LEU CB C 13 40.352 0.114 . 1 . 1314 . . . . . . 17443 1 1436 . 1 1 129 129 LEU HB2 H 1 2.120 0.009 . 2 . 1315 . . . . . . 17443 1 1437 . 1 1 129 129 LEU HB3 H 1 1.746 0.015 . 2 . 1316 . . . . . . 17443 1 1438 . 1 1 129 129 LEU CG C 13 24.263 0.139 . 1 . 1317 . . . . . . 17443 1 1439 . 1 1 129 129 LEU HG H 1 2.175 0.004 . 1 . 1318 . . . . . . 17443 1 1440 . 1 1 129 129 LEU HD11 H 1 1.131 0.008 . 2 . 1319 . . . . . . 17443 1 1441 . 1 1 129 129 LEU HD12 H 1 1.131 0.008 . 2 . 1319 . . . . . . 17443 1 1442 . 1 1 129 129 LEU HD13 H 1 1.131 0.008 . 2 . 1319 . . . . . . 17443 1 1443 . 1 1 129 129 LEU HD21 H 1 1.119 0.002 . 2 . 1320 . . . . . . 17443 1 1444 . 1 1 129 129 LEU HD22 H 1 1.119 0.002 . 2 . 1320 . . . . . . 17443 1 1445 . 1 1 129 129 LEU HD23 H 1 1.119 0.002 . 2 . 1320 . . . . . . 17443 1 1446 . 1 1 129 129 LEU CD1 C 13 23.138 0.073 . 2 . 1321 . . . . . . 17443 1 1447 . 1 1 129 129 LEU CD2 C 13 21.313 0.053 . 2 . 1322 . . . . . . 17443 1 1448 . 1 1 129 129 LEU C C 13 175.656 0.150 . 1 . 1323 . . . . . . 17443 1 1449 . 1 1 130 130 TYR N N 15 117.572 0.035 . 1 . 1324 . . . . . . 17443 1 1450 . 1 1 130 130 TYR H H 1 8.352 0.007 . 1 . 1325 . . . . . . 17443 1 1451 . 1 1 130 130 TYR CA C 13 59.455 0.136 . 1 . 1326 . . . . . . 17443 1 1452 . 1 1 130 130 TYR HA H 1 3.235 0.005 . 1 . 1327 . . . . . . 17443 1 1453 . 1 1 130 130 TYR CB C 13 35.718 0.116 . 1 . 1328 . . . . . . 17443 1 1454 . 1 1 130 130 TYR HB2 H 1 2.630 0.025 . 2 . 1329 . . . . . . 17443 1 1455 . 1 1 130 130 TYR HB3 H 1 2.385 0.015 . 2 . 1330 . . . . . . 17443 1 1456 . 1 1 130 130 TYR HD1 H 1 7.236 0.013 . 3 . 1331 . . . . . . 17443 1 1457 . 1 1 130 130 TYR HD2 H 1 7.236 0.013 . 3 . 1332 . . . . . . 17443 1 1458 . 1 1 130 130 TYR HE1 H 1 6.306 0.008 . 3 . 1333 . . . . . . 17443 1 1459 . 1 1 130 130 TYR HE2 H 1 6.306 0.008 . 3 . 1334 . . . . . . 17443 1 1460 . 1 1 130 130 TYR C C 13 173.202 0.150 . 1 . 1335 . . . . . . 17443 1 1461 . 1 1 131 131 GLN N N 15 111.710 0.075 . 1 . 1336 . . . . . . 17443 1 1462 . 1 1 131 131 GLN H H 1 7.239 0.015 . 1 . 1337 . . . . . . 17443 1 1463 . 1 1 131 131 GLN CA C 13 55.158 0.049 . 1 . 1338 . . . . . . 17443 1 1464 . 1 1 131 131 GLN HA H 1 4.062 0.015 . 1 . 1339 . . . . . . 17443 1 1465 . 1 1 131 131 GLN CB C 13 27.909 0.043 . 1 . 1340 . . . . . . 17443 1 1466 . 1 1 131 131 GLN HB2 H 1 2.209 0.015 . 1 . 1341 . . . . . . 17443 1 1467 . 1 1 131 131 GLN HB3 H 1 2.209 0.015 . 1 . 1342 . . . . . . 17443 1 1468 . 1 1 131 131 GLN CG C 13 31.895 0.081 . 1 . 1343 . . . . . . 17443 1 1469 . 1 1 131 131 GLN HG2 H 1 2.594 0.018 . 2 . 1344 . . . . . . 17443 1 1470 . 1 1 131 131 GLN HG3 H 1 2.421 0.015 . 2 . 1345 . . . . . . 17443 1 1471 . 1 1 131 131 GLN NE2 N 15 111.084 0.009 . 1 . 1346 . . . . . . 17443 1 1472 . 1 1 131 131 GLN HE21 H 1 7.397 0.002 . 1 . 1347 . . . . . . 17443 1 1473 . 1 1 131 131 GLN HE22 H 1 6.862 0.003 . 1 . 1348 . . . . . . 17443 1 1474 . 1 1 131 131 GLN C C 13 175.581 0.150 . 1 . 1349 . . . . . . 17443 1 1475 . 1 1 132 132 GLU N N 15 115.903 0.086 . 1 . 1350 . . . . . . 17443 1 1476 . 1 1 132 132 GLU H H 1 8.335 0.009 . 1 . 1351 . . . . . . 17443 1 1477 . 1 1 132 132 GLU CA C 13 54.826 0.036 . 1 . 1352 . . . . . . 17443 1 1478 . 1 1 132 132 GLU HA H 1 4.462 0.009 . 1 . 1353 . . . . . . 17443 1 1479 . 1 1 132 132 GLU CB C 13 29.455 0.032 . 1 . 1354 . . . . . . 17443 1 1480 . 1 1 132 132 GLU HB2 H 1 2.146 0.014 . 2 . 1355 . . . . . . 17443 1 1481 . 1 1 132 132 GLU HB3 H 1 2.052 0.016 . 2 . 1356 . . . . . . 17443 1 1482 . 1 1 132 132 GLU CG C 13 33.778 0.144 . 1 . 1357 . . . . . . 17443 1 1483 . 1 1 132 132 GLU HG2 H 1 2.453 0.010 . 2 . 1358 . . . . . . 17443 1 1484 . 1 1 132 132 GLU HG3 H 1 2.325 0.003 . 2 . 1359 . . . . . . 17443 1 1485 . 1 1 132 132 GLU C C 13 174.519 0.150 . 1 . 1360 . . . . . . 17443 1 1486 . 1 1 133 133 ASN N N 15 119.953 0.095 . 1 . 1361 . . . . . . 17443 1 1487 . 1 1 133 133 ASN H H 1 9.151 0.012 . 1 . 1362 . . . . . . 17443 1 1488 . 1 1 133 133 ASN CA C 13 49.461 0.042 . 1 . 1363 . . . . . . 17443 1 1489 . 1 1 133 133 ASN HA H 1 4.867 0.015 . 1 . 1364 . . . . . . 17443 1 1490 . 1 1 133 133 ASN CB C 13 35.287 0.075 . 1 . 1365 . . . . . . 17443 1 1491 . 1 1 133 133 ASN HB2 H 1 3.186 0.015 . 2 . 1366 . . . . . . 17443 1 1492 . 1 1 133 133 ASN HB3 H 1 2.709 0.015 . 2 . 1367 . . . . . . 17443 1 1493 . 1 1 133 133 ASN C C 13 170.982 0.150 . 1 . 1368 . . . . . . 17443 1 1494 . 1 1 134 134 LYS CA C 13 57.049 0.115 . 1 . 1369 . . . . . . 17443 1 1495 . 1 1 134 134 LYS HA H 1 3.994 0.019 . 1 . 1370 . . . . . . 17443 1 1496 . 1 1 134 134 LYS CB C 13 29.830 0.100 . 1 . 1371 . . . . . . 17443 1 1497 . 1 1 134 134 LYS HB2 H 1 1.891 0.010 . 1 . 1372 . . . . . . 17443 1 1498 . 1 1 134 134 LYS HB3 H 1 1.891 0.010 . 1 . 1373 . . . . . . 17443 1 1499 . 1 1 134 134 LYS CG C 13 22.819 0.047 . 1 . 1374 . . . . . . 17443 1 1500 . 1 1 134 134 LYS HG2 H 1 1.486 0.009 . 1 . 1375 . . . . . . 17443 1 1501 . 1 1 134 134 LYS HG3 H 1 1.486 0.009 . 1 . 1376 . . . . . . 17443 1 1502 . 1 1 134 134 LYS CD C 13 26.178 0.072 . 1 . 1377 . . . . . . 17443 1 1503 . 1 1 134 134 LYS HD2 H 1 1.633 0.011 . 1 . 1378 . . . . . . 17443 1 1504 . 1 1 134 134 LYS HD3 H 1 1.633 0.011 . 1 . 1379 . . . . . . 17443 1 1505 . 1 1 134 134 LYS CE C 13 39.647 0.027 . 1 . 1380 . . . . . . 17443 1 1506 . 1 1 134 134 LYS HE2 H 1 2.891 0.019 . 1 . 1381 . . . . . . 17443 1 1507 . 1 1 134 134 LYS HE3 H 1 2.891 0.019 . 1 . 1382 . . . . . . 17443 1 1508 . 1 1 134 134 LYS C C 13 175.932 0.150 . 1 . 1383 . . . . . . 17443 1 1509 . 1 1 135 135 ARG N N 15 117.662 0.150 . 1 . 1384 . . . . . . 17443 1 1510 . 1 1 135 135 ARG H H 1 8.458 0.015 . 1 . 1385 . . . . . . 17443 1 1511 . 1 1 135 135 ARG CA C 13 56.620 0.117 . 1 . 1386 . . . . . . 17443 1 1512 . 1 1 135 135 ARG HA H 1 4.261 0.002 . 1 . 1387 . . . . . . 17443 1 1513 . 1 1 135 135 ARG CB C 13 27.181 0.150 . 1 . 1388 . . . . . . 17443 1 1514 . 1 1 135 135 ARG HB2 H 1 1.985 0.015 . 1 . 1389 . . . . . . 17443 1 1515 . 1 1 135 135 ARG HB3 H 1 1.985 0.015 . 1 . 1390 . . . . . . 17443 1 1516 . 1 1 135 135 ARG CG C 13 24.798 0.150 . 1 . 1391 . . . . . . 17443 1 1517 . 1 1 135 135 ARG HG2 H 1 1.718 0.015 . 2 . 1392 . . . . . . 17443 1 1518 . 1 1 135 135 ARG HG3 H 1 1.628 0.015 . 2 . 1393 . . . . . . 17443 1 1519 . 1 1 135 135 ARG CD C 13 40.708 0.150 . 1 . 1394 . . . . . . 17443 1 1520 . 1 1 135 135 ARG HD2 H 1 3.268 0.015 . 1 . 1395 . . . . . . 17443 1 1521 . 1 1 135 135 ARG HD3 H 1 3.268 0.015 . 1 . 1396 . . . . . . 17443 1 1522 . 1 1 135 135 ARG C C 13 176.777 0.150 . 1 . 1397 . . . . . . 17443 1 1523 . 1 1 136 136 GLU N N 15 120.438 0.024 . 1 . 1398 . . . . . . 17443 1 1524 . 1 1 136 136 GLU H H 1 7.463 0.004 . 1 . 1399 . . . . . . 17443 1 1525 . 1 1 136 136 GLU CA C 13 55.591 0.093 . 1 . 1400 . . . . . . 17443 1 1526 . 1 1 136 136 GLU HA H 1 4.220 0.007 . 1 . 1401 . . . . . . 17443 1 1527 . 1 1 136 136 GLU CB C 13 27.036 0.170 . 1 . 1402 . . . . . . 17443 1 1528 . 1 1 136 136 GLU HB2 H 1 2.035 0.016 . 1 . 1403 . . . . . . 17443 1 1529 . 1 1 136 136 GLU HB3 H 1 2.035 0.016 . 1 . 1404 . . . . . . 17443 1 1530 . 1 1 136 136 GLU CG C 13 33.222 0.104 . 1 . 1405 . . . . . . 17443 1 1531 . 1 1 136 136 GLU HG2 H 1 2.418 0.018 . 2 . 1406 . . . . . . 17443 1 1532 . 1 1 136 136 GLU HG3 H 1 2.326 0.015 . 2 . 1407 . . . . . . 17443 1 1533 . 1 1 136 136 GLU C C 13 176.357 0.150 . 1 . 1408 . . . . . . 17443 1 1534 . 1 1 137 137 TYR N N 15 120.723 0.034 . 1 . 1409 . . . . . . 17443 1 1535 . 1 1 137 137 TYR H H 1 8.438 0.007 . 1 . 1410 . . . . . . 17443 1 1536 . 1 1 137 137 TYR CA C 13 60.203 0.102 . 1 . 1411 . . . . . . 17443 1 1537 . 1 1 137 137 TYR HA H 1 4.100 0.017 . 1 . 1412 . . . . . . 17443 1 1538 . 1 1 137 137 TYR CB C 13 35.479 0.157 . 1 . 1413 . . . . . . 17443 1 1539 . 1 1 137 137 TYR HB2 H 1 3.489 0.004 . 2 . 1414 . . . . . . 17443 1 1540 . 1 1 137 137 TYR HB3 H 1 2.945 0.010 . 2 . 1415 . . . . . . 17443 1 1541 . 1 1 137 137 TYR HD1 H 1 7.237 0.012 . 3 . 1416 . . . . . . 17443 1 1542 . 1 1 137 137 TYR HD2 H 1 7.237 0.012 . 3 . 1417 . . . . . . 17443 1 1543 . 1 1 137 137 TYR C C 13 173.762 0.150 . 1 . 1418 . . . . . . 17443 1 1544 . 1 1 138 138 GLU N N 15 117.047 0.041 . 1 . 1419 . . . . . . 17443 1 1545 . 1 1 138 138 GLU H H 1 8.733 0.002 . 1 . 1420 . . . . . . 17443 1 1546 . 1 1 138 138 GLU CA C 13 57.687 0.073 . 1 . 1421 . . . . . . 17443 1 1547 . 1 1 138 138 GLU HA H 1 3.603 0.019 . 1 . 1422 . . . . . . 17443 1 1548 . 1 1 138 138 GLU CB C 13 26.522 0.091 . 1 . 1423 . . . . . . 17443 1 1549 . 1 1 138 138 GLU HB2 H 1 2.333 0.019 . 2 . 1424 . . . . . . 17443 1 1550 . 1 1 138 138 GLU HB3 H 1 2.141 0.015 . 2 . 1425 . . . . . . 17443 1 1551 . 1 1 138 138 GLU CG C 13 35.212 0.070 . 1 . 1426 . . . . . . 17443 1 1552 . 1 1 138 138 GLU HG2 H 1 2.923 0.015 . 2 . 1427 . . . . . . 17443 1 1553 . 1 1 138 138 GLU HG3 H 1 2.253 0.013 . 2 . 1428 . . . . . . 17443 1 1554 . 1 1 138 138 GLU C C 13 176.513 0.150 . 1 . 1429 . . . . . . 17443 1 1555 . 1 1 139 139 LYS N N 15 120.986 0.073 . 1 . 1430 . . . . . . 17443 1 1556 . 1 1 139 139 LYS H H 1 7.827 0.008 . 1 . 1431 . . . . . . 17443 1 1557 . 1 1 139 139 LYS CA C 13 57.004 0.061 . 1 . 1432 . . . . . . 17443 1 1558 . 1 1 139 139 LYS HA H 1 4.065 0.005 . 1 . 1433 . . . . . . 17443 1 1559 . 1 1 139 139 LYS CB C 13 29.868 0.060 . 1 . 1434 . . . . . . 17443 1 1560 . 1 1 139 139 LYS HB2 H 1 1.969 0.015 . 1 . 1435 . . . . . . 17443 1 1561 . 1 1 139 139 LYS HB3 H 1 1.969 0.015 . 1 . 1436 . . . . . . 17443 1 1562 . 1 1 139 139 LYS CG C 13 22.292 0.115 . 1 . 1437 . . . . . . 17443 1 1563 . 1 1 139 139 LYS HG2 H 1 1.627 0.015 . 2 . 1438 . . . . . . 17443 1 1564 . 1 1 139 139 LYS HG3 H 1 1.418 0.015 . 2 . 1439 . . . . . . 17443 1 1565 . 1 1 139 139 LYS CD C 13 26.745 0.088 . 1 . 1440 . . . . . . 17443 1 1566 . 1 1 139 139 LYS HD2 H 1 1.727 0.012 . 1 . 1441 . . . . . . 17443 1 1567 . 1 1 139 139 LYS HD3 H 1 1.727 0.012 . 1 . 1442 . . . . . . 17443 1 1568 . 1 1 139 139 LYS CE C 13 39.465 0.103 . 1 . 1443 . . . . . . 17443 1 1569 . 1 1 139 139 LYS HE2 H 1 2.953 0.015 . 1 . 1444 . . . . . . 17443 1 1570 . 1 1 139 139 LYS HE3 H 1 2.953 0.015 . 1 . 1445 . . . . . . 17443 1 1571 . 1 1 139 139 LYS C C 13 177.298 0.150 . 1 . 1446 . . . . . . 17443 1 1572 . 1 1 140 140 ARG N N 15 120.297 0.001 . 1 . 1447 . . . . . . 17443 1 1573 . 1 1 140 140 ARG H H 1 7.957 0.008 . 1 . 1448 . . . . . . 17443 1 1574 . 1 1 140 140 ARG CA C 13 55.306 0.070 . 1 . 1449 . . . . . . 17443 1 1575 . 1 1 140 140 ARG HA H 1 3.845 0.015 . 1 . 1450 . . . . . . 17443 1 1576 . 1 1 140 140 ARG CB C 13 26.247 0.070 . 1 . 1451 . . . . . . 17443 1 1577 . 1 1 140 140 ARG HB2 H 1 1.574 0.012 . 2 . 1452 . . . . . . 17443 1 1578 . 1 1 140 140 ARG HB3 H 1 0.765 0.015 . 2 . 1453 . . . . . . 17443 1 1579 . 1 1 140 140 ARG CG C 13 24.310 0.014 . 1 . 1454 . . . . . . 17443 1 1580 . 1 1 140 140 ARG HG2 H 1 1.368 0.010 . 2 . 1455 . . . . . . 17443 1 1581 . 1 1 140 140 ARG HG3 H 1 1.316 0.013 . 2 . 1456 . . . . . . 17443 1 1582 . 1 1 140 140 ARG CD C 13 39.185 0.093 . 1 . 1457 . . . . . . 17443 1 1583 . 1 1 140 140 ARG HD2 H 1 2.698 0.013 . 2 . 1458 . . . . . . 17443 1 1584 . 1 1 140 140 ARG HD3 H 1 2.775 0.010 . 2 . 1459 . . . . . . 17443 1 1585 . 1 1 140 140 ARG C C 13 177.244 0.150 . 1 . 1460 . . . . . . 17443 1 1586 . 1 1 141 141 VAL N N 15 120.468 0.030 . 1 . 1461 . . . . . . 17443 1 1587 . 1 1 141 141 VAL H H 1 8.232 0.010 . 1 . 1462 . . . . . . 17443 1 1588 . 1 1 141 141 VAL CA C 13 64.145 0.084 . 1 . 1463 . . . . . . 17443 1 1589 . 1 1 141 141 VAL HA H 1 3.408 0.004 . 1 . 1464 . . . . . . 17443 1 1590 . 1 1 141 141 VAL CB C 13 28.649 0.168 . 1 . 1465 . . . . . . 17443 1 1591 . 1 1 141 141 VAL HB H 1 1.582 0.011 . 1 . 1466 . . . . . . 17443 1 1592 . 1 1 141 141 VAL HG11 H 1 0.571 0.007 . 2 . 1467 . . . . . . 17443 1 1593 . 1 1 141 141 VAL HG12 H 1 0.571 0.007 . 2 . 1467 . . . . . . 17443 1 1594 . 1 1 141 141 VAL HG13 H 1 0.571 0.007 . 2 . 1467 . . . . . . 17443 1 1595 . 1 1 141 141 VAL HG21 H 1 -0.140 0.020 . 2 . 1468 . . . . . . 17443 1 1596 . 1 1 141 141 VAL HG22 H 1 -0.140 0.020 . 2 . 1468 . . . . . . 17443 1 1597 . 1 1 141 141 VAL HG23 H 1 -0.140 0.020 . 2 . 1468 . . . . . . 17443 1 1598 . 1 1 141 141 VAL CG1 C 13 20.358 0.091 . 2 . 1469 . . . . . . 17443 1 1599 . 1 1 141 141 VAL CG2 C 13 18.478 0.077 . 2 . 1470 . . . . . . 17443 1 1600 . 1 1 141 141 VAL C C 13 175.495 0.150 . 1 . 1471 . . . . . . 17443 1 1601 . 1 1 142 142 SER N N 15 116.356 0.074 . 1 . 1472 . . . . . . 17443 1 1602 . 1 1 142 142 SER H H 1 8.413 0.012 . 1 . 1473 . . . . . . 17443 1 1603 . 1 1 142 142 SER CA C 13 60.001 0.092 . 1 . 1474 . . . . . . 17443 1 1604 . 1 1 142 142 SER HA H 1 4.063 0.017 . 1 . 1475 . . . . . . 17443 1 1605 . 1 1 142 142 SER C C 13 173.794 0.150 . 1 . 1476 . . . . . . 17443 1 1606 . 1 1 143 143 ALA N N 15 121.889 0.024 . 1 . 1477 . . . . . . 17443 1 1607 . 1 1 143 143 ALA H H 1 7.176 0.014 . 1 . 1478 . . . . . . 17443 1 1608 . 1 1 143 143 ALA CA C 13 52.258 0.107 . 1 . 1479 . . . . . . 17443 1 1609 . 1 1 143 143 ALA HA H 1 4.246 0.006 . 1 . 1480 . . . . . . 17443 1 1610 . 1 1 143 143 ALA HB1 H 1 1.461 0.015 . 1 . 1481 . . . . . . 17443 1 1611 . 1 1 143 143 ALA HB2 H 1 1.461 0.015 . 1 . 1481 . . . . . . 17443 1 1612 . 1 1 143 143 ALA HB3 H 1 1.461 0.015 . 1 . 1481 . . . . . . 17443 1 1613 . 1 1 143 143 ALA CB C 13 15.506 0.179 . 1 . 1482 . . . . . . 17443 1 1614 . 1 1 143 143 ALA C C 13 177.724 0.150 . 1 . 1483 . . . . . . 17443 1 1615 . 1 1 144 144 ILE N N 15 116.805 0.150 . 1 . 1484 . . . . . . 17443 1 1616 . 1 1 144 144 ILE H H 1 7.341 0.014 . 1 . 1485 . . . . . . 17443 1 1617 . 1 1 144 144 ILE CA C 13 59.561 0.083 . 1 . 1486 . . . . . . 17443 1 1618 . 1 1 144 144 ILE HA H 1 4.110 0.015 . 1 . 1487 . . . . . . 17443 1 1619 . 1 1 144 144 ILE CB C 13 34.793 0.071 . 1 . 1488 . . . . . . 17443 1 1620 . 1 1 144 144 ILE HB H 1 2.411 0.015 . 1 . 1489 . . . . . . 17443 1 1621 . 1 1 144 144 ILE HG21 H 1 1.081 0.007 . 1 . 1490 . . . . . . 17443 1 1622 . 1 1 144 144 ILE HG22 H 1 1.081 0.007 . 1 . 1490 . . . . . . 17443 1 1623 . 1 1 144 144 ILE HG23 H 1 1.081 0.007 . 1 . 1490 . . . . . . 17443 1 1624 . 1 1 144 144 ILE CG2 C 13 17.979 0.048 . 1 . 1491 . . . . . . 17443 1 1625 . 1 1 144 144 ILE CG1 C 13 26.133 0.174 . 1 . 1492 . . . . . . 17443 1 1626 . 1 1 144 144 ILE HG12 H 1 1.773 0.016 . 2 . 1493 . . . . . . 17443 1 1627 . 1 1 144 144 ILE HG13 H 1 1.529 0.027 . 2 . 1494 . . . . . . 17443 1 1628 . 1 1 144 144 ILE HD11 H 1 0.943 0.015 . 1 . 1495 . . . . . . 17443 1 1629 . 1 1 144 144 ILE HD12 H 1 0.943 0.015 . 1 . 1495 . . . . . . 17443 1 1630 . 1 1 144 144 ILE HD13 H 1 0.943 0.015 . 1 . 1495 . . . . . . 17443 1 1631 . 1 1 144 144 ILE CD1 C 13 10.454 0.052 . 1 . 1496 . . . . . . 17443 1 1632 . 1 1 144 144 ILE C C 13 177.212 0.150 . 1 . 1497 . . . . . . 17443 1 1633 . 1 1 145 145 VAL N N 15 125.591 0.074 . 1 . 1498 . . . . . . 17443 1 1634 . 1 1 145 145 VAL H H 1 8.578 0.009 . 1 . 1499 . . . . . . 17443 1 1635 . 1 1 145 145 VAL CA C 13 64.675 0.027 . 1 . 1500 . . . . . . 17443 1 1636 . 1 1 145 145 VAL HA H 1 3.476 0.015 . 1 . 1501 . . . . . . 17443 1 1637 . 1 1 145 145 VAL CB C 13 28.857 0.043 . 1 . 1502 . . . . . . 17443 1 1638 . 1 1 145 145 VAL HB H 1 2.311 0.002 . 1 . 1503 . . . . . . 17443 1 1639 . 1 1 145 145 VAL HG11 H 1 1.242 0.025 . 2 . 1504 . . . . . . 17443 1 1640 . 1 1 145 145 VAL HG12 H 1 1.242 0.025 . 2 . 1504 . . . . . . 17443 1 1641 . 1 1 145 145 VAL HG13 H 1 1.242 0.025 . 2 . 1504 . . . . . . 17443 1 1642 . 1 1 145 145 VAL HG21 H 1 0.754 0.021 . 2 . 1505 . . . . . . 17443 1 1643 . 1 1 145 145 VAL HG22 H 1 0.754 0.021 . 2 . 1505 . . . . . . 17443 1 1644 . 1 1 145 145 VAL HG23 H 1 0.754 0.021 . 2 . 1505 . . . . . . 17443 1 1645 . 1 1 145 145 VAL CG1 C 13 21.404 0.058 . 2 . 1506 . . . . . . 17443 1 1646 . 1 1 145 145 VAL CG2 C 13 17.893 0.104 . 2 . 1507 . . . . . . 17443 1 1647 . 1 1 145 145 VAL C C 13 175.484 0.150 . 1 . 1508 . . . . . . 17443 1 1648 . 1 1 146 146 GLU N N 15 119.853 0.042 . 1 . 1509 . . . . . . 17443 1 1649 . 1 1 146 146 GLU H H 1 7.604 0.003 . 1 . 1510 . . . . . . 17443 1 1650 . 1 1 146 146 GLU CA C 13 55.560 0.024 . 1 . 1511 . . . . . . 17443 1 1651 . 1 1 146 146 GLU HA H 1 4.075 0.015 . 1 . 1512 . . . . . . 17443 1 1652 . 1 1 146 146 GLU CB C 13 26.004 0.151 . 1 . 1513 . . . . . . 17443 1 1653 . 1 1 146 146 GLU HB2 H 1 2.247 0.016 . 2 . 1514 . . . . . . 17443 1 1654 . 1 1 146 146 GLU HB3 H 1 2.132 0.014 . 2 . 1515 . . . . . . 17443 1 1655 . 1 1 146 146 GLU CG C 13 31.909 0.018 . 1 . 1516 . . . . . . 17443 1 1656 . 1 1 146 146 GLU HG2 H 1 2.593 0.015 . 2 . 1517 . . . . . . 17443 1 1657 . 1 1 146 146 GLU HG3 H 1 2.504 0.009 . 2 . 1518 . . . . . . 17443 1 1658 . 1 1 146 146 GLU C C 13 176.596 0.150 . 1 . 1519 . . . . . . 17443 1 1659 . 1 1 147 147 GLN N N 15 116.853 0.023 . 1 . 1520 . . . . . . 17443 1 1660 . 1 1 147 147 GLN H H 1 7.691 0.002 . 1 . 1521 . . . . . . 17443 1 1661 . 1 1 147 147 GLN CA C 13 55.582 0.029 . 1 . 1522 . . . . . . 17443 1 1662 . 1 1 147 147 GLN HA H 1 2.585 0.015 . 1 . 1523 . . . . . . 17443 1 1663 . 1 1 147 147 GLN CB C 13 26.367 0.072 . 1 . 1524 . . . . . . 17443 1 1664 . 1 1 147 147 GLN HB2 H 1 1.859 0.015 . 1 . 1525 . . . . . . 17443 1 1665 . 1 1 147 147 GLN HB3 H 1 1.859 0.015 . 1 . 1526 . . . . . . 17443 1 1666 . 1 1 147 147 GLN CG C 13 33.584 0.090 . 1 . 1527 . . . . . . 17443 1 1667 . 1 1 147 147 GLN HG2 H 1 2.316 0.006 . 2 . 1528 . . . . . . 17443 1 1668 . 1 1 147 147 GLN HG3 H 1 2.034 0.017 . 2 . 1529 . . . . . . 17443 1 1669 . 1 1 147 147 GLN C C 13 175.331 0.150 . 1 . 1530 . . . . . . 17443 1 1670 . 1 1 148 148 SER N N 15 117.052 0.150 . 1 . 1531 . . . . . . 17443 1 1671 . 1 1 148 148 SER H H 1 7.706 0.018 . 1 . 1532 . . . . . . 17443 1 1672 . 1 1 148 148 SER CA C 13 58.470 0.032 . 1 . 1533 . . . . . . 17443 1 1673 . 1 1 148 148 SER HA H 1 4.441 0.005 . 1 . 1534 . . . . . . 17443 1 1674 . 1 1 148 148 SER CB C 13 60.215 0.001 . 1 . 1535 . . . . . . 17443 1 1675 . 1 1 148 148 SER HB2 H 1 4.115 0.017 . 2 . 1536 . . . . . . 17443 1 1676 . 1 1 148 148 SER HB3 H 1 4.171 0.001 . 2 . 1537 . . . . . . 17443 1 1677 . 1 1 148 148 SER C C 13 172.706 0.150 . 1 . 1538 . . . . . . 17443 1 1678 . 1 1 149 149 TRP N N 15 121.914 0.060 . 1 . 1539 . . . . . . 17443 1 1679 . 1 1 149 149 TRP H H 1 7.119 0.004 . 1 . 1540 . . . . . . 17443 1 1680 . 1 1 149 149 TRP CA C 13 53.774 0.047 . 1 . 1541 . . . . . . 17443 1 1681 . 1 1 149 149 TRP HA H 1 4.892 0.017 . 1 . 1542 . . . . . . 17443 1 1682 . 1 1 149 149 TRP CB C 13 26.340 0.140 . 1 . 1543 . . . . . . 17443 1 1683 . 1 1 149 149 TRP HB2 H 1 3.471 0.015 . 2 . 1544 . . . . . . 17443 1 1684 . 1 1 149 149 TRP HB3 H 1 3.369 0.015 . 2 . 1545 . . . . . . 17443 1 1685 . 1 1 149 149 TRP NE1 N 15 128.683 0.150 . 1 . 1546 . . . . . . 17443 1 1686 . 1 1 149 149 TRP HD1 H 1 7.298 0.010 . 1 . 1547 . . . . . . 17443 1 1687 . 1 1 149 149 TRP HE1 H 1 9.993 0.015 . 1 . 1548 . . . . . . 17443 1 1688 . 1 1 149 149 TRP C C 13 173.348 0.150 . 1 . 1549 . . . . . . 17443 1 1689 . 1 1 150 150 ASN N N 15 124.253 0.150 . 1 . 1550 . . . . . . 17443 1 1690 . 1 1 150 150 ASN H H 1 7.952 0.015 . 1 . 1551 . . . . . . 17443 1 1691 . 1 1 151 151 ASP N N 15 112.997 0.150 . 1 . 1552 . . . . . . 17443 1 1692 . 1 1 151 151 ASP H H 1 7.614 0.015 . 1 . 1553 . . . . . . 17443 1 stop_ save_