data_17421 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17421 _Entry.Title ; Solution structure of human protein C6orf130 in complex with ADP-ribose ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-22 _Entry.Accession_date 2011-01-22 _Entry.Last_release_date 2011-03-08 _Entry.Original_release_date 2011-03-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Lytle . L. . 17421 2 F. Peterson . C. . 17421 3 B. Volkman . F. . 17421 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Structural Genomics' . 17421 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Eukaryotic Structural Genomics' . 17421 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID adenosine-5-diphosphoribose . 17421 BC011709 . 17421 C6orf130 . 17421 'Center for Eukaryotic Structural Genomics' . 17421 'macro domain' . 17421 'Protein Structure Initiative' . 17421 PSI . 17421 'Structural Genomics' . 17421 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17421 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 649 17421 '15N chemical shifts' 161 17421 '1H chemical shifts' 1044 17421 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-03-08 2011-01-22 original author . 17421 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15593 'unbound C6orf130' 17421 PDB 2JYC 'unbound C6orf130' 17421 PDB 2L8R 'BMRB Entry Tracking System' 17421 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17421 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of human C6orf130, a putative macro domain.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Lytle . L. . 17421 1 2 F. Peterson . C. . 17421 1 3 B. Volkman . F. . 17421 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17421 _Assembly.ID 1 _Assembly.Name C6orf130 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 C6orf130 1 $C6orf130 A . yes native no no . . . 17421 1 2 ADENOSINE-5-DIPHOSPHORIBOSE 2 $APR B . yes native no no . . . 17421 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C6orf130 _Entity.Sf_category entity _Entity.Sf_framecode C6orf130 _Entity.Entry_ID 17421 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C6orf130 _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 ; GSSLNEDPEGSRITYVKGDL FACPKTDSLAHCISEDCRMG AGIAVLFKKKFGGVQELLNQ QKKSGEVAVLKRDGRYIYYL ITKKRASHKPTYENLQKSLE AMKSHCLKNGVTDLSMPRIG CGLDRLQWENVSAMIEEVFE ATDIKITVYTL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal glycine is a cloning artifact.' _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16904.613 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10164 . "A1pp domain" . . . . . 94.04 149 100.00 100.00 3.50e-100 . . . . 17421 1 2 no BMRB 15593 . C6orf130 . . . . . 100.00 160 99.34 99.34 1.75e-106 . . . . 17421 1 3 no PDB 2EEE . "Solution Structure Of The A1pp Domain From Human Protein C6orf130" . . . . . 94.04 149 100.00 100.00 3.50e-100 . . . . 17421 1 4 no PDB 2L8R . "Solution Structure Of Human Protein C6orf130 In Complex With Adp- Ribose" . . . . . 100.00 151 100.00 100.00 2.40e-107 . . . . 17421 1 5 no PDB 2LGR . "Solution Structure Of Human Protein C6orf130, A Putative Macro Domain" . . . . . 100.00 160 99.34 99.34 1.75e-106 . . . . 17421 1 6 no PDB 4J5Q . "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1, Apo Structure" . . . . . 96.69 146 100.00 100.00 1.54e-103 . . . . 17421 1 7 no PDB 4J5R . "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1 Bound To Adp- Hpd" . . . . . 94.04 146 100.00 100.00 6.81e-100 . . . . 17421 1 8 no PDB 4J5S . "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1 Adp-ribose Complex" . . . . . 94.04 146 100.00 100.00 6.81e-100 . . . . 17421 1 9 no DBJ BAF83628 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 10 no DBJ BAG36161 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 11 no GB AAH11709 . "Chromosome 6 open reading frame 130 [Homo sapiens]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 12 no GB AIC53444 . "C6orf130, partial [synthetic construct]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 13 no GB AIC58012 . "C6orf130, partial [synthetic construct]" . . . . . 98.68 152 99.33 100.00 1.86e-105 . . . . 17421 1 14 no GB EAX04010 . "chromosome 6 open reading frame 130, isoform CRA_a [Homo sapiens]" . . . . . 52.32 86 100.00 100.00 2.32e-49 . . . . 17421 1 15 no GB EAX04011 . "chromosome 6 open reading frame 130, isoform CRA_b [Homo sapiens]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 16 no REF NP_001181654 . "O-acetyl-ADP-ribose deacetylase C6orf130 homolog [Macaca mulatta]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 17 no REF NP_659500 . "O-acetyl-ADP-ribose deacetylase 1 [Homo sapiens]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 18 no REF XP_001117219 . "PREDICTED: uncharacterized protein C6orf130-like isoform 2 [Macaca mulatta]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 19 no REF XP_001117235 . "PREDICTED: uncharacterized protein C6orf130-like isoform 3 [Macaca mulatta]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 20 no REF XP_001174030 . "PREDICTED: O-acetyl-ADP-ribose deacetylase 1 [Pan troglodytes]" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 1 21 no SP Q9Y530 . "RecName: Full=O-acetyl-ADP-ribose deacetylase 1" . . . . . 100.00 152 99.34 99.34 1.38e-106 . . . . 17421 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 2 GLY . 17421 1 2 3 SER . 17421 1 3 4 SER . 17421 1 4 5 LEU . 17421 1 5 6 ASN . 17421 1 6 7 GLU . 17421 1 7 8 ASP . 17421 1 8 9 PRO . 17421 1 9 10 GLU . 17421 1 10 11 GLY . 17421 1 11 12 SER . 17421 1 12 13 ARG . 17421 1 13 14 ILE . 17421 1 14 15 THR . 17421 1 15 16 TYR . 17421 1 16 17 VAL . 17421 1 17 18 LYS . 17421 1 18 19 GLY . 17421 1 19 20 ASP . 17421 1 20 21 LEU . 17421 1 21 22 PHE . 17421 1 22 23 ALA . 17421 1 23 24 CYS . 17421 1 24 25 PRO . 17421 1 25 26 LYS . 17421 1 26 27 THR . 17421 1 27 28 ASP . 17421 1 28 29 SER . 17421 1 29 30 LEU . 17421 1 30 31 ALA . 17421 1 31 32 HIS . 17421 1 32 33 CYS . 17421 1 33 34 ILE . 17421 1 34 35 SER . 17421 1 35 36 GLU . 17421 1 36 37 ASP . 17421 1 37 38 CYS . 17421 1 38 39 ARG . 17421 1 39 40 MET . 17421 1 40 41 GLY . 17421 1 41 42 ALA . 17421 1 42 43 GLY . 17421 1 43 44 ILE . 17421 1 44 45 ALA . 17421 1 45 46 VAL . 17421 1 46 47 LEU . 17421 1 47 48 PHE . 17421 1 48 49 LYS . 17421 1 49 50 LYS . 17421 1 50 51 LYS . 17421 1 51 52 PHE . 17421 1 52 53 GLY . 17421 1 53 54 GLY . 17421 1 54 55 VAL . 17421 1 55 56 GLN . 17421 1 56 57 GLU . 17421 1 57 58 LEU . 17421 1 58 59 LEU . 17421 1 59 60 ASN . 17421 1 60 61 GLN . 17421 1 61 62 GLN . 17421 1 62 63 LYS . 17421 1 63 64 LYS . 17421 1 64 65 SER . 17421 1 65 66 GLY . 17421 1 66 67 GLU . 17421 1 67 68 VAL . 17421 1 68 69 ALA . 17421 1 69 70 VAL . 17421 1 70 71 LEU . 17421 1 71 72 LYS . 17421 1 72 73 ARG . 17421 1 73 74 ASP . 17421 1 74 75 GLY . 17421 1 75 76 ARG . 17421 1 76 77 TYR . 17421 1 77 78 ILE . 17421 1 78 79 TYR . 17421 1 79 80 TYR . 17421 1 80 81 LEU . 17421 1 81 82 ILE . 17421 1 82 83 THR . 17421 1 83 84 LYS . 17421 1 84 85 LYS . 17421 1 85 86 ARG . 17421 1 86 87 ALA . 17421 1 87 88 SER . 17421 1 88 89 HIS . 17421 1 89 90 LYS . 17421 1 90 91 PRO . 17421 1 91 92 THR . 17421 1 92 93 TYR . 17421 1 93 94 GLU . 17421 1 94 95 ASN . 17421 1 95 96 LEU . 17421 1 96 97 GLN . 17421 1 97 98 LYS . 17421 1 98 99 SER . 17421 1 99 100 LEU . 17421 1 100 101 GLU . 17421 1 101 102 ALA . 17421 1 102 103 MET . 17421 1 103 104 LYS . 17421 1 104 105 SER . 17421 1 105 106 HIS . 17421 1 106 107 CYS . 17421 1 107 108 LEU . 17421 1 108 109 LYS . 17421 1 109 110 ASN . 17421 1 110 111 GLY . 17421 1 111 112 VAL . 17421 1 112 113 THR . 17421 1 113 114 ASP . 17421 1 114 115 LEU . 17421 1 115 116 SER . 17421 1 116 117 MET . 17421 1 117 118 PRO . 17421 1 118 119 ARG . 17421 1 119 120 ILE . 17421 1 120 121 GLY . 17421 1 121 122 CYS . 17421 1 122 123 GLY . 17421 1 123 124 LEU . 17421 1 124 125 ASP . 17421 1 125 126 ARG . 17421 1 126 127 LEU . 17421 1 127 128 GLN . 17421 1 128 129 TRP . 17421 1 129 130 GLU . 17421 1 130 131 ASN . 17421 1 131 132 VAL . 17421 1 132 133 SER . 17421 1 133 134 ALA . 17421 1 134 135 MET . 17421 1 135 136 ILE . 17421 1 136 137 GLU . 17421 1 137 138 GLU . 17421 1 138 139 VAL . 17421 1 139 140 PHE . 17421 1 140 141 GLU . 17421 1 141 142 ALA . 17421 1 142 143 THR . 17421 1 143 144 ASP . 17421 1 144 145 ILE . 17421 1 145 146 LYS . 17421 1 146 147 ILE . 17421 1 147 148 THR . 17421 1 148 149 VAL . 17421 1 149 150 TYR . 17421 1 150 151 THR . 17421 1 151 152 LEU . 17421 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17421 1 . SER 2 2 17421 1 . SER 3 3 17421 1 . LEU 4 4 17421 1 . ASN 5 5 17421 1 . GLU 6 6 17421 1 . ASP 7 7 17421 1 . PRO 8 8 17421 1 . GLU 9 9 17421 1 . GLY 10 10 17421 1 . SER 11 11 17421 1 . ARG 12 12 17421 1 . ILE 13 13 17421 1 . THR 14 14 17421 1 . TYR 15 15 17421 1 . VAL 16 16 17421 1 . LYS 17 17 17421 1 . GLY 18 18 17421 1 . ASP 19 19 17421 1 . LEU 20 20 17421 1 . PHE 21 21 17421 1 . ALA 22 22 17421 1 . CYS 23 23 17421 1 . PRO 24 24 17421 1 . LYS 25 25 17421 1 . THR 26 26 17421 1 . ASP 27 27 17421 1 . SER 28 28 17421 1 . LEU 29 29 17421 1 . ALA 30 30 17421 1 . HIS 31 31 17421 1 . CYS 32 32 17421 1 . ILE 33 33 17421 1 . SER 34 34 17421 1 . GLU 35 35 17421 1 . ASP 36 36 17421 1 . CYS 37 37 17421 1 . ARG 38 38 17421 1 . MET 39 39 17421 1 . GLY 40 40 17421 1 . ALA 41 41 17421 1 . GLY 42 42 17421 1 . ILE 43 43 17421 1 . ALA 44 44 17421 1 . VAL 45 45 17421 1 . LEU 46 46 17421 1 . PHE 47 47 17421 1 . LYS 48 48 17421 1 . LYS 49 49 17421 1 . LYS 50 50 17421 1 . PHE 51 51 17421 1 . GLY 52 52 17421 1 . GLY 53 53 17421 1 . VAL 54 54 17421 1 . GLN 55 55 17421 1 . GLU 56 56 17421 1 . LEU 57 57 17421 1 . LEU 58 58 17421 1 . ASN 59 59 17421 1 . GLN 60 60 17421 1 . GLN 61 61 17421 1 . LYS 62 62 17421 1 . LYS 63 63 17421 1 . SER 64 64 17421 1 . GLY 65 65 17421 1 . GLU 66 66 17421 1 . VAL 67 67 17421 1 . ALA 68 68 17421 1 . VAL 69 69 17421 1 . LEU 70 70 17421 1 . LYS 71 71 17421 1 . ARG 72 72 17421 1 . ASP 73 73 17421 1 . GLY 74 74 17421 1 . ARG 75 75 17421 1 . TYR 76 76 17421 1 . ILE 77 77 17421 1 . TYR 78 78 17421 1 . TYR 79 79 17421 1 . LEU 80 80 17421 1 . ILE 81 81 17421 1 . THR 82 82 17421 1 . LYS 83 83 17421 1 . LYS 84 84 17421 1 . ARG 85 85 17421 1 . ALA 86 86 17421 1 . SER 87 87 17421 1 . HIS 88 88 17421 1 . LYS 89 89 17421 1 . PRO 90 90 17421 1 . THR 91 91 17421 1 . TYR 92 92 17421 1 . GLU 93 93 17421 1 . ASN 94 94 17421 1 . LEU 95 95 17421 1 . GLN 96 96 17421 1 . LYS 97 97 17421 1 . SER 98 98 17421 1 . LEU 99 99 17421 1 . GLU 100 100 17421 1 . ALA 101 101 17421 1 . MET 102 102 17421 1 . LYS 103 103 17421 1 . SER 104 104 17421 1 . HIS 105 105 17421 1 . CYS 106 106 17421 1 . LEU 107 107 17421 1 . LYS 108 108 17421 1 . ASN 109 109 17421 1 . GLY 110 110 17421 1 . VAL 111 111 17421 1 . THR 112 112 17421 1 . ASP 113 113 17421 1 . LEU 114 114 17421 1 . SER 115 115 17421 1 . MET 116 116 17421 1 . PRO 117 117 17421 1 . ARG 118 118 17421 1 . ILE 119 119 17421 1 . GLY 120 120 17421 1 . CYS 121 121 17421 1 . GLY 122 122 17421 1 . LEU 123 123 17421 1 . ASP 124 124 17421 1 . ARG 125 125 17421 1 . LEU 126 126 17421 1 . GLN 127 127 17421 1 . TRP 128 128 17421 1 . GLU 129 129 17421 1 . ASN 130 130 17421 1 . VAL 131 131 17421 1 . SER 132 132 17421 1 . ALA 133 133 17421 1 . MET 134 134 17421 1 . ILE 135 135 17421 1 . GLU 136 136 17421 1 . GLU 137 137 17421 1 . VAL 138 138 17421 1 . PHE 139 139 17421 1 . GLU 140 140 17421 1 . ALA 141 141 17421 1 . THR 142 142 17421 1 . ASP 143 143 17421 1 . ILE 144 144 17421 1 . LYS 145 145 17421 1 . ILE 146 146 17421 1 . THR 147 147 17421 1 . VAL 148 148 17421 1 . TYR 149 149 17421 1 . THR 150 150 17421 1 . LEU 151 151 17421 1 stop_ save_ save_APR _Entity.Sf_category entity _Entity.Sf_framecode APR _Entity.Entry_ID 17421 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name APR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID APR _Entity.Nonpolymer_comp_label $chem_comp_APR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . APR . 17421 2 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 17421 _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 $C6orf130 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17421 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 17421 _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 2 $APR . 'obtained from a vendor' 'Escherichia coli' . . . Escherichia coli SG13009[pREP4] . . . . . . . . . . . . . . . pQE30 . . . . . . 17421 1 2 1 $C6orf130 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG13009[pREP4] . . . . . . . . . . . . . . . pQE30 . . . . . . 17421 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_APR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_APR _Chem_comp.Entry_ID 17421 _Chem_comp.ID APR _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5-DIPHOSPHORIBOSE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code APR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code APR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C15 H23 N5 O14 P2' _Chem_comp.Formula_weight 559.316 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1G9Q _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 11:58:47 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17421 APR c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17421 APR InChI=1/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1/f/h26,28H,16H2 InChI InChI 1.02b 17421 APR Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17421 APR Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O SMILES CACTVS 3.341 17421 APR O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O SMILES ACDLabs 10.04 17421 APR SRNWOUGRCWSEMX-JKNRETCNDB InChIKey InChI 1.02b 17421 APR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 10.04 17421 APR '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17421 APR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . 57.304 . 21.677 . 3.126 . 2.348 -0.932 9.041 1 . 17421 APR C2 . C2 . . C . . N 0 . . . . yes no . . . . 58.333 . 20.780 . 2.780 . 1.265 -1.622 8.731 2 . 17421 APR N3 . N3 . . N . . N 0 . . . . yes no . . . . 58.815 . 19.783 . 3.523 . 0.592 -1.418 7.618 3 . 17421 APR C4 . C4 . . C . . N 0 . . . . yes no . . . . 58.161 . 19.655 . 4.774 . 0.984 -0.493 6.749 4 . 17421 APR C5 . C5 . . C . . N 0 . . . . yes no . . . . 57.100 . 20.441 . 5.267 . 2.128 0.271 7.035 5 . 17421 APR C6 . C6 . . C . . N 0 . . . . yes no . . . . 56.684 . 21.562 . 4.396 . 2.816 0.012 8.233 6 . 17421 APR N6 . N6 . . N . . N 0 . . . . no no . . . . 55.837 . 22.531 . 4.767 . 3.952 0.730 8.566 7 . 17421 APR N7 . N7 . . N . . N 0 . . . . yes no . . . . 56.714 . 19.987 . 6.521 . 2.307 1.124 5.999 8 . 17421 APR C8 . C8 . . C . . N 0 . . . . yes no . . . . 57.592 . 19.016 . 6.814 . 1.365 0.943 5.120 9 . 17421 APR N9 . N9 . . N . . N 0 . . . . yes no . . . . 58.523 . 18.831 . 5.825 . 0.523 -0.044 5.537 10 . 17421 APR C1' . C1' . . C . . R 0 . . . . no no . . . . 59.925 . 18.013 . 5.799 . -0.656 -0.537 4.822 11 . 17421 APR C2' . C2' . . C . . R 0 . . . . no no . . . . 60.873 . 18.577 . 6.883 . -1.902 0.290 5.207 12 . 17421 APR O2' . O2' . . O . . N 0 . . . . no no . . . . 62.159 . 18.740 . 6.323 . -2.672 -0.385 6.202 13 . 17421 APR C3' . C3' . . C . . S 0 . . . . no no . . . . 60.931 . 17.488 . 8.019 . -2.700 0.400 3.886 14 . 17421 APR O3' . O3' . . O . . N 0 . . . . no no . . . . 62.274 . 17.237 . 8.416 . -3.986 -0.206 4.025 15 . 17421 APR O4' . O4' . . O . . N 0 . . . . no no . . . . 59.714 . 16.695 . 6.161 . -0.502 -0.338 3.400 16 . 17421 APR C4' . C4' . . C . . R 0 . . . . no no . . . . 60.320 . 16.270 . 7.470 . -1.842 -0.377 2.863 17 . 17421 APR C5' . C5' . . C . . N 0 . . . . no no . . . . 59.249 . 15.847 . 8.393 . -1.888 0.307 1.496 18 . 17421 APR O5' . O5' . . O . . N 0 . . . . no no . . . . 58.071 . 15.548 . 7.636 . -1.032 -0.386 0.586 19 . 17421 APR PA . PA . . P . . S 0 . . . . no no . . . . 56.778 . 15.038 . 8.330 . -1.129 0.384 -0.823 20 . 17421 APR O1A . O1A . . O . . N 0 . . . . no no . . . . 56.709 . 13.669 . 8.178 . -0.686 1.786 -0.651 21 . 17421 APR O2A . O2A . . O . . N 0 . . . . no no . . . . 55.711 . 15.657 . 7.705 . -2.652 0.362 -1.343 22 . 17421 APR O3A . O3A . . O . . N 0 . . . . no no . . . . 56.727 . 15.443 . 9.983 . -0.183 -0.348 -1.901 23 . 17421 APR PB . PB . . P . . R 0 . . . . no no . . . . 56.585 . 16.854 . 10.752 . -0.328 0.470 -3.280 24 . 17421 APR O1B . O1B . . O . . N 0 . . . . no no . . . . 57.185 . 17.940 . 9.929 . 0.101 1.871 -3.069 25 . 17421 APR O2B . O2B . . O . . N 0 . . . . no no . . . . 57.257 . 16.795 . 12.071 . -1.865 0.447 -3.758 26 . 17421 APR O5D . O5D . . O . . N 0 . . . . no no . . . . 54.938 . 17.195 . 10.904 . 0.595 -0.210 -4.408 27 . 17421 APR C5D . C5D . . C . . N 0 . . . . no no . . . . 54.343 . 16.628 . 12.167 . 0.423 0.556 -5.601 28 . 17421 APR O4D . O4D . . O . . N 0 . . . . no no . . . . 54.107 . 19.129 . 12.819 . 0.853 -1.385 -6.996 29 . 17421 APR O1D . O1D . . O . . N 0 . . . . no no . . . . 52.862 . 20.438 . 11.386 . 0.208 -2.680 -8.863 30 . 17421 APR C1D . C1D . . C . . R 0 . . . . no no . . . . 52.834 . 19.759 . 12.610 . 1.030 -1.602 -8.412 31 . 17421 APR O2D . O2D . . O . . N 0 . . . . no no . . . . 50.542 . 19.075 . 13.137 . 1.185 -0.064 -10.319 32 . 17421 APR C2D . C2D . . C . . R 0 . . . . no no . . . . 51.779 . 18.629 . 12.553 . 0.574 -0.261 -9.042 33 . 17421 APR O3D . O3D . . O . . N 0 . . . . no no . . . . 51.951 . 17.595 . 14.816 . 2.341 1.326 -8.446 34 . 17421 APR C3D . C3D . . C . . S 0 . . . . no no . . . . 52.364 . 17.465 . 13.367 . 1.096 0.775 -8.014 35 . 17421 APR C4D . C4D . . C . . R 0 . . . . no no . . . . 53.842 . 17.623 . 13.261 . 1.279 -0.041 -6.720 36 . 17421 APR H2 . H2 . . H . . N 0 . . . . no no . . . . 58.826 . 20.870 . 1.797 . 0.918 -2.381 9.417 37 . 17421 APR H61 . H61 . . H . . N 0 . . . . no no . . . . 55.391 . 22.448 . 5.680 . 4.416 0.544 9.397 38 . 17421 APR H62 . H62 . . H . . N 0 . . . . no no . . . . 55.118 . 22.640 . 4.051 . 4.286 1.415 7.966 39 . 17421 APR H8 . H8 . . H . . N 0 . . . . no no . . . . 57.553 . 18.439 . 7.753 . 1.265 1.493 4.196 40 . 17421 APR H'1 . H'1 . . H . . N 0 . . . . no no . . . . 60.348 . 18.101 . 4.771 . -0.819 -1.592 5.042 41 . 17421 APR H'2 . H'2 . . H . . N 0 . . . . no no . . . . 60.523 . 19.560 . 7.276 . -1.608 1.279 5.559 42 . 17421 APR HO'2 . HO'2 . . H . . N 0 . . . . no no . . . . 62.741 . 19.086 . 6.988 . -3.464 0.149 6.354 43 . 17421 APR H'3 . H'3 . . H . . N 0 . . . . no no . . . . 60.384 . 17.837 . 8.926 . -2.801 1.443 3.585 44 . 17421 APR HO'3 . HO'3 . . H . . N 0 . . . . no no . . . . 62.309 . 16.580 . 9.101 . -4.474 0.319 4.673 45 . 17421 APR H'4 . H'4 . . H . . N 0 . . . . no no . . . . 61.043 . 15.432 . 7.339 . -2.189 -1.407 2.782 46 . 17421 APR H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 59.561 . 14.998 . 9.044 . -2.910 0.293 1.116 47 . 17421 APR H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 59.058 . 16.598 . 9.194 . -1.552 1.340 1.595 48 . 17421 APR HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 54.920 . 15.345 . 8.129 . -2.901 -0.566 -1.442 49 . 17421 APR HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 57.173 . 17.625 . 12.523 . -2.105 -0.480 -3.884 50 . 17421 APR H5R1 . H5R1 . . H . . N 0 . . . . no no . . . . 53.512 . 15.935 . 11.898 . -0.625 0.539 -5.897 51 . 17421 APR H5R2 . H5R2 . . H . . N 0 . . . . no no . . . . 55.071 . 15.919 . 12.626 . 0.732 1.586 -5.418 52 . 17421 APR HOR1 . HOR1 . . H . . N 0 . . . . no no . . . . 52.019 . 20.854 . 11.247 . 0.495 -3.469 -8.385 53 . 17421 APR HR'1 . HR'1 . . H . . N 0 . . . . no no . . . . 52.595 . 20.484 . 13.422 . 2.078 -1.797 -8.642 54 . 17421 APR HOR2 . HOR2 . . H . . N 0 . . . . no no . . . . 49.894 . 18.381 . 13.102 . 0.892 -0.792 -10.884 55 . 17421 APR HR'2 . HR'2 . . H . . N 0 . . . . no no . . . . 51.559 . 18.323 . 11.503 . -0.512 -0.219 -9.122 56 . 17421 APR HOR3 . HOR3 . . H . . N 0 . . . . no no . . . . 52.312 . 16.875 . 15.319 . 2.172 1.772 -9.288 57 . 17421 APR HR'3 . HR'3 . . H . . N 0 . . . . no no . . . . 52.011 . 16.474 . 12.994 . 0.361 1.567 -7.864 58 . 17421 APR HR'4 . HR'4 . . H . . N 0 . . . . no no . . . . 54.373 . 17.409 . 14.217 . 2.329 -0.038 -6.425 59 . 17421 APR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 17421 APR 2 . DOUB N1 C6 yes N 2 . 17421 APR 3 . DOUB C2 N3 yes N 3 . 17421 APR 4 . SING C2 H2 no N 4 . 17421 APR 5 . SING N3 C4 yes N 5 . 17421 APR 6 . DOUB C4 C5 yes N 6 . 17421 APR 7 . SING C4 N9 yes N 7 . 17421 APR 8 . SING C5 C6 yes N 8 . 17421 APR 9 . SING C5 N7 yes N 9 . 17421 APR 10 . SING C6 N6 no N 10 . 17421 APR 11 . SING N6 H61 no N 11 . 17421 APR 12 . SING N6 H62 no N 12 . 17421 APR 13 . DOUB N7 C8 yes N 13 . 17421 APR 14 . SING C8 N9 yes N 14 . 17421 APR 15 . SING C8 H8 no N 15 . 17421 APR 16 . SING N9 C1' no N 16 . 17421 APR 17 . SING C1' C2' no N 17 . 17421 APR 18 . SING C1' O4' no N 18 . 17421 APR 19 . SING C1' H'1 no N 19 . 17421 APR 20 . SING C2' O2' no N 20 . 17421 APR 21 . SING C2' C3' no N 21 . 17421 APR 22 . SING C2' H'2 no N 22 . 17421 APR 23 . SING O2' HO'2 no N 23 . 17421 APR 24 . SING C3' O3' no N 24 . 17421 APR 25 . SING C3' C4' no N 25 . 17421 APR 26 . SING C3' H'3 no N 26 . 17421 APR 27 . SING O3' HO'3 no N 27 . 17421 APR 28 . SING O4' C4' no N 28 . 17421 APR 29 . SING C4' C5' no N 29 . 17421 APR 30 . SING C4' H'4 no N 30 . 17421 APR 31 . SING C5' O5' no N 31 . 17421 APR 32 . SING C5' H5'1 no N 32 . 17421 APR 33 . SING C5' H5'2 no N 33 . 17421 APR 34 . SING O5' PA no N 34 . 17421 APR 35 . DOUB PA O1A no N 35 . 17421 APR 36 . SING PA O2A no N 36 . 17421 APR 37 . SING PA O3A no N 37 . 17421 APR 38 . SING O2A HOA2 no N 38 . 17421 APR 39 . SING O3A PB no N 39 . 17421 APR 40 . DOUB PB O1B no N 40 . 17421 APR 41 . SING PB O2B no N 41 . 17421 APR 42 . SING PB O5D no N 42 . 17421 APR 43 . SING O2B HOB2 no N 43 . 17421 APR 44 . SING O5D C5D no N 44 . 17421 APR 45 . SING C5D C4D no N 45 . 17421 APR 46 . SING C5D H5R1 no N 46 . 17421 APR 47 . SING C5D H5R2 no N 47 . 17421 APR 48 . SING O4D C1D no N 48 . 17421 APR 49 . SING O4D C4D no N 49 . 17421 APR 50 . SING O1D C1D no N 50 . 17421 APR 51 . SING O1D HOR1 no N 51 . 17421 APR 52 . SING C1D C2D no N 52 . 17421 APR 53 . SING C1D HR'1 no N 53 . 17421 APR 54 . SING O2D C2D no N 54 . 17421 APR 55 . SING O2D HOR2 no N 55 . 17421 APR 56 . SING C2D C3D no N 56 . 17421 APR 57 . SING C2D HR'2 no N 57 . 17421 APR 58 . SING O3D C3D no N 58 . 17421 APR 59 . SING O3D HOR3 no N 59 . 17421 APR 60 . SING C3D C4D no N 60 . 17421 APR 61 . SING C3D HR'3 no N 61 . 17421 APR 62 . SING C4D HR'4 no N 62 . 17421 APR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 17421 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.75 mM C6orf130 U-15N/13C, 1.875 mM ADP-ribose, 20 mM BisTris, 200 mM sodium chloride, 2 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O, 7% 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 C6orf130 '[U-100% 13C; U-100% 15N]' . . 1 $C6orf130 . . 0.75 . . mM . . . . 17421 1 2 ADP-ribose 'natural abundance' . . 2 $APR . . 1.875 . . mM . . . . 17421 1 3 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 17421 1 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 17421 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17421 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17421 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17421 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 17421 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 17421 1 pH 6.5 . pH 17421 1 pressure 1 . atm 17421 1 temperature 298 . K 17421 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 17421 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 17421 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17421 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 17421 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 17421 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17421 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 17421 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 17421 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17421 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17421 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 17421 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17421 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 17421 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 17421 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17421 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 17421 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 17421 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 17421 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17421 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17421 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II' . 600 . 1 $citations 17421 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 17421 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17421 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17421 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17421 1 4 '3D F1-13C-flitered/F3-13C-edited 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17421 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 17421 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $citations . . 1 $citations 17421 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 17421 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $citations . . 1 $citations 17421 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17421 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 17421 1 2 3D_13C-separated_NOESY . . . 17421 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17421 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 2 2 SER H H 1 8.279 0.02 . 1 . . . A 3 SER H . 17421 1 2 . 1 1 2 2 SER HA H 1 4.495 0.006 . 1 . . . A 3 SER HA . 17421 1 3 . 1 1 2 2 SER HB3 H 1 3.925 0.010 . 2 . . . A 3 SER HB3 . 17421 1 4 . 1 1 2 2 SER C C 13 174.925 0.15 . 1 . . . A 3 SER C . 17421 1 5 . 1 1 2 2 SER CA C 13 58.844 0.048 . 1 . . . A 3 SER CA . 17421 1 6 . 1 1 2 2 SER CB C 13 64.140 0.15 . 1 . . . A 3 SER CB . 17421 1 7 . 1 1 2 2 SER N N 15 114.681 0.15 . 1 . . . A 3 SER N . 17421 1 8 . 1 1 3 3 SER H H 1 8.302 0.02 . 1 . . . A 4 SER H . 17421 1 9 . 1 1 3 3 SER HA H 1 4.500 0.02 . 1 . . . A 4 SER HA . 17421 1 10 . 1 1 3 3 SER HB3 H 1 3.905 0.02 . 2 . . . A 4 SER HB3 . 17421 1 11 . 1 1 3 3 SER CA C 13 58.825 0.044 . 1 . . . A 4 SER CA . 17421 1 12 . 1 1 3 3 SER CB C 13 64.048 0.014 . 1 . . . A 4 SER CB . 17421 1 13 . 1 1 3 3 SER N N 15 117.758 0.15 . 1 . . . A 4 SER N . 17421 1 14 . 1 1 4 4 LEU H H 1 8.373 0.02 . 1 . . . A 5 LEU H . 17421 1 15 . 1 1 4 4 LEU HA H 1 4.331 0.002 . 1 . . . A 5 LEU HA . 17421 1 16 . 1 1 4 4 LEU HB3 H 1 1.631 0.02 . 2 . . . A 5 LEU HB3 . 17421 1 17 . 1 1 4 4 LEU HG H 1 1.483 0.002 . 1 . . . A 5 LEU HG . 17421 1 18 . 1 1 4 4 LEU HD11 H 1 0.900 0.02 . 1 . . . A 5 LEU QD1 . 17421 1 19 . 1 1 4 4 LEU HD12 H 1 0.900 0.02 . 1 . . . A 5 LEU QD1 . 17421 1 20 . 1 1 4 4 LEU HD13 H 1 0.900 0.02 . 1 . . . A 5 LEU QD1 . 17421 1 21 . 1 1 4 4 LEU HD21 H 1 0.850 0.016 . 1 . . . A 5 LEU QD2 . 17421 1 22 . 1 1 4 4 LEU HD22 H 1 0.850 0.016 . 1 . . . A 5 LEU QD2 . 17421 1 23 . 1 1 4 4 LEU HD23 H 1 0.850 0.016 . 1 . . . A 5 LEU QD2 . 17421 1 24 . 1 1 4 4 LEU C C 13 177.182 0.15 . 1 . . . A 5 LEU C . 17421 1 25 . 1 1 4 4 LEU CA C 13 55.969 0.15 . 1 . . . A 5 LEU CA . 17421 1 26 . 1 1 4 4 LEU CB C 13 42.504 0.15 . 1 . . . A 5 LEU CB . 17421 1 27 . 1 1 4 4 LEU CG C 13 27.026 0.15 . 1 . . . A 5 LEU CG . 17421 1 28 . 1 1 4 4 LEU CD1 C 13 25.035 0.15 . 2 . . . A 5 LEU CD1 . 17421 1 29 . 1 1 4 4 LEU CD2 C 13 23.704 0.076 . 2 . . . A 5 LEU CD2 . 17421 1 30 . 1 1 4 4 LEU N N 15 123.763 0.15 . 1 . . . A 5 LEU N . 17421 1 31 . 1 1 5 5 ASN H H 1 8.374 0.02 . 1 . . . A 6 ASN H . 17421 1 32 . 1 1 5 5 ASN HA H 1 4.710 0.003 . 1 . . . A 6 ASN HA . 17421 1 33 . 1 1 5 5 ASN HB2 H 1 2.758 0.048 . 2 . . . A 6 ASN HB2 . 17421 1 34 . 1 1 5 5 ASN HB3 H 1 2.854 0.02 . 2 . . . A 6 ASN HB3 . 17421 1 35 . 1 1 5 5 ASN HD21 H 1 6.931 0.02 . 2 . . . A 6 ASN HD21 . 17421 1 36 . 1 1 5 5 ASN HD22 H 1 7.617 0.008 . 2 . . . A 6 ASN HD22 . 17421 1 37 . 1 1 5 5 ASN C C 13 175.010 0.15 . 1 . . . A 6 ASN C . 17421 1 38 . 1 1 5 5 ASN CA C 13 53.794 0.15 . 1 . . . A 6 ASN CA . 17421 1 39 . 1 1 5 5 ASN CB C 13 39.320 0.028 . 1 . . . A 6 ASN CB . 17421 1 40 . 1 1 5 5 ASN N N 15 118.924 0.15 . 1 . . . A 6 ASN N . 17421 1 41 . 1 1 5 5 ASN ND2 N 15 113.064 0.049 . 1 . . . A 6 ASN ND2 . 17421 1 42 . 1 1 6 6 GLU H H 1 8.271 0.003 . 1 . . . A 7 GLU H . 17421 1 43 . 1 1 6 6 GLU HA H 1 4.321 0.001 . 1 . . . A 7 GLU HA . 17421 1 44 . 1 1 6 6 GLU HB2 H 1 2.073 0.009 . 2 . . . A 7 GLU HB2 . 17421 1 45 . 1 1 6 6 GLU HB3 H 1 1.903 0.010 . 2 . . . A 7 GLU HB3 . 17421 1 46 . 1 1 6 6 GLU HG2 H 1 2.243 0.001 . 2 . . . A 7 GLU HG2 . 17421 1 47 . 1 1 6 6 GLU HG3 H 1 2.101 0.02 . 2 . . . A 7 GLU HG3 . 17421 1 48 . 1 1 6 6 GLU C C 13 175.945 0.15 . 1 . . . A 7 GLU C . 17421 1 49 . 1 1 6 6 GLU CA C 13 56.676 0.15 . 1 . . . A 7 GLU CA . 17421 1 50 . 1 1 6 6 GLU CB C 13 30.959 0.074 . 1 . . . A 7 GLU CB . 17421 1 51 . 1 1 6 6 GLU CG C 13 36.675 0.012 . 1 . . . A 7 GLU CG . 17421 1 52 . 1 1 6 6 GLU N N 15 120.989 0.15 . 1 . . . A 7 GLU N . 17421 1 53 . 1 1 7 7 ASP H H 1 8.362 0.02 . 1 . . . A 8 ASP H . 17421 1 54 . 1 1 7 7 ASP HA H 1 4.900 0.003 . 1 . . . A 8 ASP HA . 17421 1 55 . 1 1 7 7 ASP HB2 H 1 2.546 0.002 . 2 . . . A 8 ASP HB2 . 17421 1 56 . 1 1 7 7 ASP HB3 H 1 2.744 0.012 . 2 . . . A 8 ASP HB3 . 17421 1 57 . 1 1 7 7 ASP C C 13 175.949 0.15 . 1 . . . A 8 ASP C . 17421 1 58 . 1 1 7 7 ASP CA C 13 52.961 0.15 . 1 . . . A 8 ASP CA . 17421 1 59 . 1 1 7 7 ASP CB C 13 41.280 0.029 . 1 . . . A 8 ASP CB . 17421 1 60 . 1 1 7 7 ASP N N 15 122.716 0.15 . 1 . . . A 8 ASP N . 17421 1 61 . 1 1 8 8 PRO HA H 1 4.461 0.006 . 1 . . . A 9 PRO HA . 17421 1 62 . 1 1 8 8 PRO HB2 H 1 2.325 0.005 . 2 . . . A 9 PRO HB2 . 17421 1 63 . 1 1 8 8 PRO HB3 H 1 1.997 0.007 . 2 . . . A 9 PRO HB3 . 17421 1 64 . 1 1 8 8 PRO HG3 H 1 2.050 0.003 . 2 . . . A 9 PRO HG3 . 17421 1 65 . 1 1 8 8 PRO HD2 H 1 3.823 0.006 . 2 . . . A 9 PRO HD2 . 17421 1 66 . 1 1 8 8 PRO HD3 H 1 3.868 0.018 . 2 . . . A 9 PRO HD3 . 17421 1 67 . 1 1 8 8 PRO C C 13 177.495 0.15 . 1 . . . A 9 PRO C . 17421 1 68 . 1 1 8 8 PRO CA C 13 63.834 0.15 . 1 . . . A 9 PRO CA . 17421 1 69 . 1 1 8 8 PRO CB C 13 32.507 0.080 . 1 . . . A 9 PRO CB . 17421 1 70 . 1 1 8 8 PRO CG C 13 27.570 0.15 . 1 . . . A 9 PRO CG . 17421 1 71 . 1 1 8 8 PRO CD C 13 50.914 0.011 . 1 . . . A 9 PRO CD . 17421 1 72 . 1 1 9 9 GLU H H 1 8.519 0.02 . 1 . . . A 10 GLU H . 17421 1 73 . 1 1 9 9 GLU HA H 1 4.353 0.010 . 1 . . . A 10 GLU HA . 17421 1 74 . 1 1 9 9 GLU HB2 H 1 1.980 0.001 . 2 . . . A 10 GLU HB2 . 17421 1 75 . 1 1 9 9 GLU HB3 H 1 2.129 0.013 . 2 . . . A 10 GLU HB3 . 17421 1 76 . 1 1 9 9 GLU HG3 H 1 2.332 0.014 . 2 . . . A 10 GLU HG3 . 17421 1 77 . 1 1 9 9 GLU C C 13 177.338 0.15 . 1 . . . A 10 GLU C . 17421 1 78 . 1 1 9 9 GLU CA C 13 57.036 0.15 . 1 . . . A 10 GLU CA . 17421 1 79 . 1 1 9 9 GLU CB C 13 30.443 0.202 . 1 . . . A 10 GLU CB . 17421 1 80 . 1 1 9 9 GLU CG C 13 36.732 0.15 . 1 . . . A 10 GLU CG . 17421 1 81 . 1 1 9 9 GLU N N 15 120.405 0.15 . 1 . . . A 10 GLU N . 17421 1 82 . 1 1 10 10 GLY H H 1 8.277 0.02 . 1 . . . A 11 GLY H . 17421 1 83 . 1 1 10 10 GLY HA2 H 1 4.073 0.011 . 2 . . . A 11 GLY HA2 . 17421 1 84 . 1 1 10 10 GLY HA3 H 1 3.998 0.02 . 2 . . . A 11 GLY HA3 . 17421 1 85 . 1 1 10 10 GLY C C 13 174.051 0.15 . 1 . . . A 11 GLY C . 17421 1 86 . 1 1 10 10 GLY CA C 13 45.668 0.017 . 1 . . . A 11 GLY CA . 17421 1 87 . 1 1 10 10 GLY N N 15 109.695 0.15 . 1 . . . A 11 GLY N . 17421 1 88 . 1 1 11 11 SER H H 1 8.232 0.004 . 1 . . . A 12 SER H . 17421 1 89 . 1 1 11 11 SER HA H 1 4.628 0.004 . 1 . . . A 12 SER HA . 17421 1 90 . 1 1 11 11 SER HB2 H 1 3.918 0.001 . 2 . . . A 12 SER HB2 . 17421 1 91 . 1 1 11 11 SER HB3 H 1 4.001 0.003 . 2 . . . A 12 SER HB3 . 17421 1 92 . 1 1 11 11 SER C C 13 174.905 0.15 . 1 . . . A 12 SER C . 17421 1 93 . 1 1 11 11 SER CA C 13 58.747 0.15 . 1 . . . A 12 SER CA . 17421 1 94 . 1 1 11 11 SER CB C 13 64.406 0.109 . 1 . . . A 12 SER CB . 17421 1 95 . 1 1 11 11 SER N N 15 115.573 0.15 . 1 . . . A 12 SER N . 17421 1 96 . 1 1 12 12 ARG H H 1 9.385 0.001 . 1 . . . A 13 ARG H . 17421 1 97 . 1 1 12 12 ARG HA H 1 4.336 0.010 . 1 . . . A 13 ARG HA . 17421 1 98 . 1 1 12 12 ARG HB2 H 1 1.910 0.001 . 2 . . . A 13 ARG HB2 . 17421 1 99 . 1 1 12 12 ARG HB3 H 1 1.988 0.02 . 2 . . . A 13 ARG HB3 . 17421 1 100 . 1 1 12 12 ARG HG2 H 1 1.739 0.02 . 2 . . . A 13 ARG HG2 . 17421 1 101 . 1 1 12 12 ARG HG3 H 1 1.608 0.001 . 2 . . . A 13 ARG HG3 . 17421 1 102 . 1 1 12 12 ARG HD2 H 1 3.165 0.007 . 2 . . . A 13 ARG HD2 . 17421 1 103 . 1 1 12 12 ARG HD3 H 1 3.425 0.008 . 2 . . . A 13 ARG HD3 . 17421 1 104 . 1 1 12 12 ARG HE H 1 7.549 0.002 . 1 . . . A 13 ARG HE . 17421 1 105 . 1 1 12 12 ARG C C 13 176.161 0.15 . 1 . . . A 13 ARG C . 17421 1 106 . 1 1 12 12 ARG CA C 13 57.056 0.15 . 1 . . . A 13 ARG CA . 17421 1 107 . 1 1 12 12 ARG CB C 13 30.553 0.083 . 1 . . . A 13 ARG CB . 17421 1 108 . 1 1 12 12 ARG CG C 13 26.693 0.017 . 1 . . . A 13 ARG CG . 17421 1 109 . 1 1 12 12 ARG CD C 13 42.747 0.007 . 1 . . . A 13 ARG CD . 17421 1 110 . 1 1 12 12 ARG N N 15 125.530 0.15 . 1 . . . A 13 ARG N . 17421 1 111 . 1 1 12 12 ARG NE N 15 84.399 0.15 . 1 . . . A 13 ARG NE . 17421 1 112 . 1 1 13 13 ILE H H 1 8.241 0.005 . 1 . . . A 14 ILE H . 17421 1 113 . 1 1 13 13 ILE HA H 1 4.365 0.006 . 1 . . . A 14 ILE HA . 17421 1 114 . 1 1 13 13 ILE HB H 1 1.554 0.001 . 1 . . . A 14 ILE HB . 17421 1 115 . 1 1 13 13 ILE HG12 H 1 0.576 0.001 . 2 . . . A 14 ILE HG12 . 17421 1 116 . 1 1 13 13 ILE HG13 H 1 1.532 0.02 . 2 . . . A 14 ILE HG13 . 17421 1 117 . 1 1 13 13 ILE HG21 H 1 0.199 0.002 . 1 . . . A 14 ILE QG2 . 17421 1 118 . 1 1 13 13 ILE HG22 H 1 0.199 0.002 . 1 . . . A 14 ILE QG2 . 17421 1 119 . 1 1 13 13 ILE HG23 H 1 0.199 0.002 . 1 . . . A 14 ILE QG2 . 17421 1 120 . 1 1 13 13 ILE HD11 H 1 0.896 0.013 . 1 . . . A 14 ILE QD1 . 17421 1 121 . 1 1 13 13 ILE HD12 H 1 0.896 0.013 . 1 . . . A 14 ILE QD1 . 17421 1 122 . 1 1 13 13 ILE HD13 H 1 0.896 0.013 . 1 . . . A 14 ILE QD1 . 17421 1 123 . 1 1 13 13 ILE C C 13 176.239 0.15 . 1 . . . A 14 ILE C . 17421 1 124 . 1 1 13 13 ILE CA C 13 61.692 0.15 . 1 . . . A 14 ILE CA . 17421 1 125 . 1 1 13 13 ILE CB C 13 40.290 0.15 . 1 . . . A 14 ILE CB . 17421 1 126 . 1 1 13 13 ILE CG1 C 13 28.336 0.030 . 1 . . . A 14 ILE CG1 . 17421 1 127 . 1 1 13 13 ILE CG2 C 13 17.850 0.15 . 1 . . . A 14 ILE CG2 . 17421 1 128 . 1 1 13 13 ILE CD1 C 13 14.475 0.15 . 1 . . . A 14 ILE CD1 . 17421 1 129 . 1 1 13 13 ILE N N 15 119.601 0.15 . 1 . . . A 14 ILE N . 17421 1 130 . 1 1 14 14 THR H H 1 8.493 0.017 . 1 . . . A 15 THR H . 17421 1 131 . 1 1 14 14 THR HA H 1 4.390 0.011 . 1 . . . A 15 THR HA . 17421 1 132 . 1 1 14 14 THR HB H 1 3.952 0.005 . 1 . . . A 15 THR HB . 17421 1 133 . 1 1 14 14 THR HG21 H 1 1.132 0.001 . 1 . . . A 15 THR QG2 . 17421 1 134 . 1 1 14 14 THR HG22 H 1 1.132 0.001 . 1 . . . A 15 THR QG2 . 17421 1 135 . 1 1 14 14 THR HG23 H 1 1.132 0.001 . 1 . . . A 15 THR QG2 . 17421 1 136 . 1 1 14 14 THR C C 13 172.103 0.15 . 1 . . . A 15 THR C . 17421 1 137 . 1 1 14 14 THR CA C 13 62.058 0.15 . 1 . . . A 15 THR CA . 17421 1 138 . 1 1 14 14 THR CB C 13 70.627 0.15 . 1 . . . A 15 THR CB . 17421 1 139 . 1 1 14 14 THR CG2 C 13 21.593 0.15 . 1 . . . A 15 THR CG2 . 17421 1 140 . 1 1 14 14 THR N N 15 124.551 0.15 . 1 . . . A 15 THR N . 17421 1 141 . 1 1 15 15 TYR H H 1 8.754 0.005 . 1 . . . A 16 TYR H . 17421 1 142 . 1 1 15 15 TYR HA H 1 5.112 0.006 . 1 . . . A 16 TYR HA . 17421 1 143 . 1 1 15 15 TYR HB2 H 1 2.684 0.008 . 2 . . . A 16 TYR HB2 . 17421 1 144 . 1 1 15 15 TYR HB3 H 1 2.918 0.016 . 2 . . . A 16 TYR HB3 . 17421 1 145 . 1 1 15 15 TYR HD1 H 1 7.131 0.02 . 3 . . . A 16 TYR HD1 . 17421 1 146 . 1 1 15 15 TYR HD2 H 1 7.131 0.02 . 3 . . . A 16 TYR HD2 . 17421 1 147 . 1 1 15 15 TYR HE1 H 1 6.843 0.002 . 3 . . . A 16 TYR HE1 . 17421 1 148 . 1 1 15 15 TYR HE2 H 1 6.843 0.002 . 3 . . . A 16 TYR HE2 . 17421 1 149 . 1 1 15 15 TYR C C 13 176.142 0.15 . 1 . . . A 16 TYR C . 17421 1 150 . 1 1 15 15 TYR CA C 13 58.265 0.15 . 1 . . . A 16 TYR CA . 17421 1 151 . 1 1 15 15 TYR CB C 13 39.925 0.15 . 1 . . . A 16 TYR CB . 17421 1 152 . 1 1 15 15 TYR CD1 C 13 133.862 0.15 . 3 . . . A 16 TYR CD1 . 17421 1 153 . 1 1 15 15 TYR CE1 C 13 117.390 0.15 . 3 . . . A 16 TYR CE1 . 17421 1 154 . 1 1 15 15 TYR N N 15 124.750 0.15 . 1 . . . A 16 TYR N . 17421 1 155 . 1 1 16 16 VAL H H 1 8.621 0.004 . 1 . . . A 17 VAL H . 17421 1 156 . 1 1 16 16 VAL HA H 1 4.052 0.005 . 1 . . . A 17 VAL HA . 17421 1 157 . 1 1 16 16 VAL HB H 1 0.748 0.004 . 1 . . . A 17 VAL HB . 17421 1 158 . 1 1 16 16 VAL HG11 H 1 0.658 0.005 . 1 . . . A 17 VAL QG1 . 17421 1 159 . 1 1 16 16 VAL HG12 H 1 0.658 0.005 . 1 . . . A 17 VAL QG1 . 17421 1 160 . 1 1 16 16 VAL HG13 H 1 0.658 0.005 . 1 . . . A 17 VAL QG1 . 17421 1 161 . 1 1 16 16 VAL HG21 H 1 0.401 0.02 . 1 . . . A 17 VAL QG2 . 17421 1 162 . 1 1 16 16 VAL HG22 H 1 0.401 0.02 . 1 . . . A 17 VAL QG2 . 17421 1 163 . 1 1 16 16 VAL HG23 H 1 0.401 0.02 . 1 . . . A 17 VAL QG2 . 17421 1 164 . 1 1 16 16 VAL C C 13 174.268 0.15 . 1 . . . A 17 VAL C . 17421 1 165 . 1 1 16 16 VAL CA C 13 61.249 0.15 . 1 . . . A 17 VAL CA . 17421 1 166 . 1 1 16 16 VAL CB C 13 35.494 0.15 . 1 . . . A 17 VAL CB . 17421 1 167 . 1 1 16 16 VAL CG1 C 13 22.047 0.15 . 2 . . . A 17 VAL CG1 . 17421 1 168 . 1 1 16 16 VAL CG2 C 13 22.154 0.15 . 2 . . . A 17 VAL CG2 . 17421 1 169 . 1 1 16 16 VAL N N 15 124.501 0.15 . 1 . . . A 17 VAL N . 17421 1 170 . 1 1 17 17 LYS H H 1 8.333 0.011 . 1 . . . A 18 LYS H . 17421 1 171 . 1 1 17 17 LYS HA H 1 5.021 0.02 . 1 . . . A 18 LYS HA . 17421 1 172 . 1 1 17 17 LYS HB2 H 1 1.845 0.003 . 2 . . . A 18 LYS HB2 . 17421 1 173 . 1 1 17 17 LYS HB3 H 1 1.634 0.003 . 2 . . . A 18 LYS HB3 . 17421 1 174 . 1 1 17 17 LYS HG2 H 1 1.421 0.017 . 2 . . . A 18 LYS HG2 . 17421 1 175 . 1 1 17 17 LYS HG3 H 1 1.295 0.013 . 2 . . . A 18 LYS HG3 . 17421 1 176 . 1 1 17 17 LYS HD3 H 1 1.693 0.013 . 2 . . . A 18 LYS HD3 . 17421 1 177 . 1 1 17 17 LYS HE3 H 1 2.959 0.013 . 2 . . . A 18 LYS HE3 . 17421 1 178 . 1 1 17 17 LYS C C 13 176.046 0.15 . 1 . . . A 18 LYS C . 17421 1 179 . 1 1 17 17 LYS CA C 13 54.822 0.15 . 1 . . . A 18 LYS CA . 17421 1 180 . 1 1 17 17 LYS CB C 13 32.559 0.049 . 1 . . . A 18 LYS CB . 17421 1 181 . 1 1 17 17 LYS CG C 13 25.034 0.121 . 1 . . . A 18 LYS CG . 17421 1 182 . 1 1 17 17 LYS CD C 13 29.585 0.15 . 1 . . . A 18 LYS CD . 17421 1 183 . 1 1 17 17 LYS CE C 13 42.473 0.15 . 1 . . . A 18 LYS CE . 17421 1 184 . 1 1 17 17 LYS N N 15 127.903 0.15 . 1 . . . A 18 LYS N . 17421 1 185 . 1 1 18 18 GLY H H 1 8.905 0.003 . 1 . . . A 19 GLY H . 17421 1 186 . 1 1 18 18 GLY HA2 H 1 3.866 0.001 . 2 . . . A 19 GLY HA2 . 17421 1 187 . 1 1 18 18 GLY HA3 H 1 4.329 0.003 . 2 . . . A 19 GLY HA3 . 17421 1 188 . 1 1 18 18 GLY C C 13 170.016 0.15 . 1 . . . A 19 GLY C . 17421 1 189 . 1 1 18 18 GLY CA C 13 45.010 0.003 . 1 . . . A 19 GLY CA . 17421 1 190 . 1 1 18 18 GLY N N 15 116.781 0.15 . 1 . . . A 19 GLY N . 17421 1 191 . 1 1 19 19 ASP H H 1 7.716 0.002 . 1 . . . A 20 ASP H . 17421 1 192 . 1 1 19 19 ASP HA H 1 4.587 0.006 . 1 . . . A 20 ASP HA . 17421 1 193 . 1 1 19 19 ASP HB2 H 1 2.687 0.012 . 2 . . . A 20 ASP HB2 . 17421 1 194 . 1 1 19 19 ASP HB3 H 1 2.640 0.008 . 2 . . . A 20 ASP HB3 . 17421 1 195 . 1 1 19 19 ASP C C 13 178.023 0.15 . 1 . . . A 20 ASP C . 17421 1 196 . 1 1 19 19 ASP CA C 13 53.674 0.15 . 1 . . . A 20 ASP CA . 17421 1 197 . 1 1 19 19 ASP CB C 13 42.214 0.15 . 1 . . . A 20 ASP CB . 17421 1 198 . 1 1 19 19 ASP N N 15 116.211 0.15 . 1 . . . A 20 ASP N . 17421 1 199 . 1 1 20 20 LEU H H 1 10.437 0.006 . 1 . . . A 21 LEU H . 17421 1 200 . 1 1 20 20 LEU HA H 1 2.951 0.004 . 1 . . . A 21 LEU HA . 17421 1 201 . 1 1 20 20 LEU HB2 H 1 0.952 0.010 . 2 . . . A 21 LEU HB2 . 17421 1 202 . 1 1 20 20 LEU HB3 H 1 0.863 0.006 . 2 . . . A 21 LEU HB3 . 17421 1 203 . 1 1 20 20 LEU HG H 1 0.491 0.026 . 1 . . . A 21 LEU HG . 17421 1 204 . 1 1 20 20 LEU HD11 H 1 0.291 0.007 . 1 . . . A 21 LEU QD1 . 17421 1 205 . 1 1 20 20 LEU HD12 H 1 0.291 0.007 . 1 . . . A 21 LEU QD1 . 17421 1 206 . 1 1 20 20 LEU HD13 H 1 0.291 0.007 . 1 . . . A 21 LEU QD1 . 17421 1 207 . 1 1 20 20 LEU HD21 H 1 0.425 0.008 . 1 . . . A 21 LEU QD2 . 17421 1 208 . 1 1 20 20 LEU HD22 H 1 0.425 0.008 . 1 . . . A 21 LEU QD2 . 17421 1 209 . 1 1 20 20 LEU HD23 H 1 0.425 0.008 . 1 . . . A 21 LEU QD2 . 17421 1 210 . 1 1 20 20 LEU C C 13 176.473 0.15 . 1 . . . A 21 LEU C . 17421 1 211 . 1 1 20 20 LEU CA C 13 57.810 0.15 . 1 . . . A 21 LEU CA . 17421 1 212 . 1 1 20 20 LEU CB C 13 44.188 0.15 . 1 . . . A 21 LEU CB . 17421 1 213 . 1 1 20 20 LEU CG C 13 26.565 0.15 . 1 . . . A 21 LEU CG . 17421 1 214 . 1 1 20 20 LEU CD1 C 13 27.948 0.15 . 2 . . . A 21 LEU CD1 . 17421 1 215 . 1 1 20 20 LEU CD2 C 13 24.807 0.15 . 2 . . . A 21 LEU CD2 . 17421 1 216 . 1 1 20 20 LEU N N 15 131.930 0.15 . 1 . . . A 21 LEU N . 17421 1 217 . 1 1 21 21 PHE H H 1 8.065 0.008 . 1 . . . A 22 PHE H . 17421 1 218 . 1 1 21 21 PHE HA H 1 3.912 0.02 . 1 . . . A 22 PHE HA . 17421 1 219 . 1 1 21 21 PHE HB2 H 1 3.131 0.002 . 2 . . . A 22 PHE HB2 . 17421 1 220 . 1 1 21 21 PHE HB3 H 1 2.832 0.002 . 2 . . . A 22 PHE HB3 . 17421 1 221 . 1 1 21 21 PHE HD1 H 1 7.287 0.009 . 3 . . . A 22 PHE HD1 . 17421 1 222 . 1 1 21 21 PHE HD2 H 1 7.287 0.009 . 3 . . . A 22 PHE HD2 . 17421 1 223 . 1 1 21 21 PHE HE1 H 1 6.509 0.002 . 3 . . . A 22 PHE HE1 . 17421 1 224 . 1 1 21 21 PHE HE2 H 1 6.509 0.002 . 3 . . . A 22 PHE HE2 . 17421 1 225 . 1 1 21 21 PHE HZ H 1 5.756 0.02 . 1 . . . A 22 PHE HZ . 17421 1 226 . 1 1 21 21 PHE C C 13 175.891 0.15 . 1 . . . A 22 PHE C . 17421 1 227 . 1 1 21 21 PHE CA C 13 60.739 0.15 . 1 . . . A 22 PHE CA . 17421 1 228 . 1 1 21 21 PHE CB C 13 37.052 0.002 . 1 . . . A 22 PHE CB . 17421 1 229 . 1 1 21 21 PHE CD1 C 13 131.329 0.15 . 3 . . . A 22 PHE CD1 . 17421 1 230 . 1 1 21 21 PHE CE1 C 13 131.014 0.15 . 3 . . . A 22 PHE CE1 . 17421 1 231 . 1 1 21 21 PHE CZ C 13 129.057 0.15 . 1 . . . A 22 PHE CZ . 17421 1 232 . 1 1 21 21 PHE N N 15 109.740 0.15 . 1 . . . A 22 PHE N . 17421 1 233 . 1 1 22 22 ALA H H 1 7.781 0.02 . 1 . . . A 23 ALA H . 17421 1 234 . 1 1 22 22 ALA HA H 1 4.549 0.02 . 1 . . . A 23 ALA HA . 17421 1 235 . 1 1 22 22 ALA HB1 H 1 1.515 0.004 . 1 . . . A 23 ALA QB . 17421 1 236 . 1 1 22 22 ALA HB2 H 1 1.515 0.004 . 1 . . . A 23 ALA QB . 17421 1 237 . 1 1 22 22 ALA HB3 H 1 1.515 0.004 . 1 . . . A 23 ALA QB . 17421 1 238 . 1 1 22 22 ALA C C 13 177.224 0.15 . 1 . . . A 23 ALA C . 17421 1 239 . 1 1 22 22 ALA CA C 13 51.659 0.15 . 1 . . . A 23 ALA CA . 17421 1 240 . 1 1 22 22 ALA CB C 13 18.793 0.15 . 1 . . . A 23 ALA CB . 17421 1 241 . 1 1 22 22 ALA N N 15 123.497 0.15 . 1 . . . A 23 ALA N . 17421 1 242 . 1 1 23 23 CYS H H 1 7.542 0.02 . 1 . . . A 24 CYS H . 17421 1 243 . 1 1 23 23 CYS HA H 1 4.616 0.02 . 1 . . . A 24 CYS HA . 17421 1 244 . 1 1 23 23 CYS HB2 H 1 3.467 0.001 . 2 . . . A 24 CYS HB2 . 17421 1 245 . 1 1 23 23 CYS HB3 H 1 2.510 0.001 . 2 . . . A 24 CYS HB3 . 17421 1 246 . 1 1 23 23 CYS C C 13 171.079 0.15 . 1 . . . A 24 CYS C . 17421 1 247 . 1 1 23 23 CYS CA C 13 57.298 0.15 . 1 . . . A 24 CYS CA . 17421 1 248 . 1 1 23 23 CYS CB C 13 26.006 0.15 . 1 . . . A 24 CYS CB . 17421 1 249 . 1 1 23 23 CYS N N 15 119.699 0.15 . 1 . . . A 24 CYS N . 17421 1 250 . 1 1 24 24 PRO HA H 1 4.409 0.02 . 1 . . . A 25 PRO HA . 17421 1 251 . 1 1 24 24 PRO HB2 H 1 2.348 0.02 . 2 . . . A 25 PRO HB2 . 17421 1 252 . 1 1 24 24 PRO HB3 H 1 1.863 0.004 . 2 . . . A 25 PRO HB3 . 17421 1 253 . 1 1 24 24 PRO HG3 H 1 2.160 0.02 . 2 . . . A 25 PRO HG3 . 17421 1 254 . 1 1 24 24 PRO C C 13 178.848 0.15 . 1 . . . A 25 PRO C . 17421 1 255 . 1 1 24 24 PRO CA C 13 64.270 0.15 . 1 . . . A 25 PRO CA . 17421 1 256 . 1 1 24 24 PRO CB C 13 32.134 0.011 . 1 . . . A 25 PRO CB . 17421 1 257 . 1 1 25 25 LYS H H 1 8.763 0.008 . 1 . . . A 26 LYS H . 17421 1 258 . 1 1 25 25 LYS HA H 1 4.156 0.016 . 1 . . . A 26 LYS HA . 17421 1 259 . 1 1 25 25 LYS HB3 H 1 1.945 0.015 . 2 . . . A 26 LYS HB3 . 17421 1 260 . 1 1 25 25 LYS HG2 H 1 1.632 0.02 . 2 . . . A 26 LYS HG2 . 17421 1 261 . 1 1 25 25 LYS HG3 H 1 1.546 0.016 . 2 . . . A 26 LYS HG3 . 17421 1 262 . 1 1 25 25 LYS HD3 H 1 1.772 0.005 . 2 . . . A 26 LYS HD3 . 17421 1 263 . 1 1 25 25 LYS HE3 H 1 3.054 0.02 . 2 . . . A 26 LYS HE3 . 17421 1 264 . 1 1 25 25 LYS C C 13 175.733 0.15 . 1 . . . A 26 LYS C . 17421 1 265 . 1 1 25 25 LYS CA C 13 58.697 0.060 . 1 . . . A 26 LYS CA . 17421 1 266 . 1 1 25 25 LYS CB C 13 32.388 0.068 . 1 . . . A 26 LYS CB . 17421 1 267 . 1 1 25 25 LYS CG C 13 25.470 0.075 . 1 . . . A 26 LYS CG . 17421 1 268 . 1 1 25 25 LYS CD C 13 29.653 0.066 . 1 . . . A 26 LYS CD . 17421 1 269 . 1 1 25 25 LYS CE C 13 42.257 0.15 . 1 . . . A 26 LYS CE . 17421 1 270 . 1 1 25 25 LYS N N 15 123.054 0.15 . 1 . . . A 26 LYS N . 17421 1 271 . 1 1 26 26 THR H H 1 7.083 0.018 . 1 . . . A 27 THR H . 17421 1 272 . 1 1 26 26 THR HA H 1 4.173 0.003 . 1 . . . A 27 THR HA . 17421 1 273 . 1 1 26 26 THR HB H 1 4.539 0.001 . 1 . . . A 27 THR HB . 17421 1 274 . 1 1 26 26 THR HG21 H 1 1.239 0.007 . 1 . . . A 27 THR QG2 . 17421 1 275 . 1 1 26 26 THR HG22 H 1 1.239 0.007 . 1 . . . A 27 THR QG2 . 17421 1 276 . 1 1 26 26 THR HG23 H 1 1.239 0.007 . 1 . . . A 27 THR QG2 . 17421 1 277 . 1 1 26 26 THR C C 13 176.250 0.15 . 1 . . . A 27 THR C . 17421 1 278 . 1 1 26 26 THR CA C 13 61.416 0.15 . 1 . . . A 27 THR CA . 17421 1 279 . 1 1 26 26 THR CB C 13 69.010 0.15 . 1 . . . A 27 THR CB . 17421 1 280 . 1 1 26 26 THR CG2 C 13 22.298 0.028 . 1 . . . A 27 THR CG2 . 17421 1 281 . 1 1 26 26 THR N N 15 102.818 0.15 . 1 . . . A 27 THR N . 17421 1 282 . 1 1 27 27 ASP H H 1 7.681 0.02 . 1 . . . A 28 ASP H . 17421 1 283 . 1 1 27 27 ASP HA H 1 4.504 0.014 . 1 . . . A 28 ASP HA . 17421 1 284 . 1 1 27 27 ASP HB2 H 1 2.892 0.012 . 2 . . . A 28 ASP HB2 . 17421 1 285 . 1 1 27 27 ASP HB3 H 1 2.695 0.02 . 2 . . . A 28 ASP HB3 . 17421 1 286 . 1 1 27 27 ASP C C 13 177.914 0.15 . 1 . . . A 28 ASP C . 17421 1 287 . 1 1 27 27 ASP CA C 13 55.463 0.15 . 1 . . . A 28 ASP CA . 17421 1 288 . 1 1 27 27 ASP CB C 13 40.577 0.045 . 1 . . . A 28 ASP CB . 17421 1 289 . 1 1 27 27 ASP N N 15 125.321 0.15 . 1 . . . A 28 ASP N . 17421 1 290 . 1 1 28 28 SER H H 1 8.496 0.008 . 1 . . . A 29 SER H . 17421 1 291 . 1 1 28 28 SER HA H 1 5.163 0.02 . 1 . . . A 29 SER HA . 17421 1 292 . 1 1 28 28 SER HB2 H 1 4.118 0.003 . 2 . . . A 29 SER HB2 . 17421 1 293 . 1 1 28 28 SER HB3 H 1 4.400 0.02 . 2 . . . A 29 SER HB3 . 17421 1 294 . 1 1 28 28 SER HG H 1 6.358 0.004 . 1 . . . A 29 SER HG . 17421 1 295 . 1 1 28 28 SER C C 13 172.528 0.15 . 1 . . . A 29 SER C . 17421 1 296 . 1 1 28 28 SER CA C 13 61.886 0.15 . 1 . . . A 29 SER CA . 17421 1 297 . 1 1 28 28 SER CB C 13 65.395 0.007 . 1 . . . A 29 SER CB . 17421 1 298 . 1 1 28 28 SER N N 15 119.146 0.15 . 1 . . . A 29 SER N . 17421 1 299 . 1 1 29 29 LEU H H 1 8.482 0.011 . 1 . . . A 30 LEU H . 17421 1 300 . 1 1 29 29 LEU HA H 1 6.110 0.010 . 1 . . . A 30 LEU HA . 17421 1 301 . 1 1 29 29 LEU HB2 H 1 1.768 0.009 . 2 . . . A 30 LEU HB2 . 17421 1 302 . 1 1 29 29 LEU HB3 H 1 1.482 0.02 . 2 . . . A 30 LEU HB3 . 17421 1 303 . 1 1 29 29 LEU HG H 1 1.520 0.02 . 1 . . . A 30 LEU HG . 17421 1 304 . 1 1 29 29 LEU HD11 H 1 0.690 0.02 . 1 . . . A 30 LEU QD1 . 17421 1 305 . 1 1 29 29 LEU HD12 H 1 0.690 0.02 . 1 . . . A 30 LEU QD1 . 17421 1 306 . 1 1 29 29 LEU HD13 H 1 0.690 0.02 . 1 . . . A 30 LEU QD1 . 17421 1 307 . 1 1 29 29 LEU HD21 H 1 0.722 0.010 . 1 . . . A 30 LEU QD2 . 17421 1 308 . 1 1 29 29 LEU HD22 H 1 0.722 0.010 . 1 . . . A 30 LEU QD2 . 17421 1 309 . 1 1 29 29 LEU HD23 H 1 0.722 0.010 . 1 . . . A 30 LEU QD2 . 17421 1 310 . 1 1 29 29 LEU C C 13 176.261 0.15 . 1 . . . A 30 LEU C . 17421 1 311 . 1 1 29 29 LEU CA C 13 54.091 0.15 . 1 . . . A 30 LEU CA . 17421 1 312 . 1 1 29 29 LEU CB C 13 49.312 0.15 . 1 . . . A 30 LEU CB . 17421 1 313 . 1 1 29 29 LEU CG C 13 28.301 0.15 . 1 . . . A 30 LEU CG . 17421 1 314 . 1 1 29 29 LEU CD1 C 13 25.695 0.15 . 2 . . . A 30 LEU CD1 . 17421 1 315 . 1 1 29 29 LEU CD2 C 13 26.329 0.15 . 2 . . . A 30 LEU CD2 . 17421 1 316 . 1 1 29 29 LEU N N 15 121.721 0.15 . 1 . . . A 30 LEU N . 17421 1 317 . 1 1 30 30 ALA H H 1 7.699 0.02 . 1 . . . A 31 ALA H . 17421 1 318 . 1 1 30 30 ALA HA H 1 5.828 0.001 . 1 . . . A 31 ALA HA . 17421 1 319 . 1 1 30 30 ALA HB1 H 1 1.375 0.007 . 1 . . . A 31 ALA QB . 17421 1 320 . 1 1 30 30 ALA HB2 H 1 1.375 0.007 . 1 . . . A 31 ALA QB . 17421 1 321 . 1 1 30 30 ALA HB3 H 1 1.375 0.007 . 1 . . . A 31 ALA QB . 17421 1 322 . 1 1 30 30 ALA C C 13 174.345 0.15 . 1 . . . A 31 ALA C . 17421 1 323 . 1 1 30 30 ALA CA C 13 50.931 0.15 . 1 . . . A 31 ALA CA . 17421 1 324 . 1 1 30 30 ALA CB C 13 24.920 0.030 . 1 . . . A 31 ALA CB . 17421 1 325 . 1 1 30 30 ALA N N 15 118.937 0.15 . 1 . . . A 31 ALA N . 17421 1 326 . 1 1 31 31 HIS H H 1 7.924 0.02 . 1 . . . A 32 HIS H . 17421 1 327 . 1 1 31 31 HIS HA H 1 4.605 0.02 . 1 . . . A 32 HIS HA . 17421 1 328 . 1 1 31 31 HIS HB2 H 1 2.849 0.02 . 2 . . . A 32 HIS HB2 . 17421 1 329 . 1 1 31 31 HIS HB3 H 1 2.847 0.006 . 2 . . . A 32 HIS HB3 . 17421 1 330 . 1 1 31 31 HIS HD1 H 1 8.420 0.02 . 1 . . . A 32 HIS HD1 . 17421 1 331 . 1 1 31 31 HIS HD2 H 1 5.570 0.02 . 1 . . . A 32 HIS HD2 . 17421 1 332 . 1 1 31 31 HIS HE1 H 1 7.022 0.02 . 1 . . . A 32 HIS HE1 . 17421 1 333 . 1 1 31 31 HIS C C 13 172.741 0.15 . 1 . . . A 32 HIS C . 17421 1 334 . 1 1 31 31 HIS CA C 13 56.225 0.15 . 1 . . . A 32 HIS CA . 17421 1 335 . 1 1 31 31 HIS CB C 13 31.832 0.15 . 1 . . . A 32 HIS CB . 17421 1 336 . 1 1 31 31 HIS CD2 C 13 115.736 0.15 . 1 . . . A 32 HIS CD2 . 17421 1 337 . 1 1 31 31 HIS CE1 C 13 132.567 0.15 . 1 . . . A 32 HIS CE1 . 17421 1 338 . 1 1 31 31 HIS N N 15 111.384 0.15 . 1 . . . A 32 HIS N . 17421 1 339 . 1 1 31 31 HIS ND1 N 15 163.811 0.15 . 1 . . . A 32 HIS ND1 . 17421 1 340 . 1 1 32 32 CYS H H 1 9.348 0.02 . 1 . . . A 33 CYS H . 17421 1 341 . 1 1 32 32 CYS HA H 1 5.268 0.007 . 1 . . . A 33 CYS HA . 17421 1 342 . 1 1 32 32 CYS HB2 H 1 3.126 0.002 . 2 . . . A 33 CYS HB2 . 17421 1 343 . 1 1 32 32 CYS HB3 H 1 3.045 0.010 . 2 . . . A 33 CYS HB3 . 17421 1 344 . 1 1 32 32 CYS HG H 1 1.475 0.02 . 1 . . . A 33 CYS HG . 17421 1 345 . 1 1 32 32 CYS C C 13 175.672 0.15 . 1 . . . A 33 CYS C . 17421 1 346 . 1 1 32 32 CYS CA C 13 59.023 0.15 . 1 . . . A 33 CYS CA . 17421 1 347 . 1 1 32 32 CYS CB C 13 30.622 0.15 . 1 . . . A 33 CYS CB . 17421 1 348 . 1 1 32 32 CYS N N 15 117.585 0.15 . 1 . . . A 33 CYS N . 17421 1 349 . 1 1 33 33 ILE H H 1 9.400 0.02 . 1 . . . A 34 ILE H . 17421 1 350 . 1 1 33 33 ILE HA H 1 4.779 0.002 . 1 . . . A 34 ILE HA . 17421 1 351 . 1 1 33 33 ILE HB H 1 2.188 0.02 . 1 . . . A 34 ILE HB . 17421 1 352 . 1 1 33 33 ILE HG12 H 1 0.476 0.02 . 2 . . . A 34 ILE HG12 . 17421 1 353 . 1 1 33 33 ILE HG13 H 1 1.273 0.02 . 2 . . . A 34 ILE HG13 . 17421 1 354 . 1 1 33 33 ILE HG21 H 1 0.718 0.002 . 1 . . . A 34 ILE QG2 . 17421 1 355 . 1 1 33 33 ILE HG22 H 1 0.718 0.002 . 1 . . . A 34 ILE QG2 . 17421 1 356 . 1 1 33 33 ILE HG23 H 1 0.718 0.002 . 1 . . . A 34 ILE QG2 . 17421 1 357 . 1 1 33 33 ILE HD11 H 1 0.988 0.02 . 1 . . . A 34 ILE QD1 . 17421 1 358 . 1 1 33 33 ILE HD12 H 1 0.988 0.02 . 1 . . . A 34 ILE QD1 . 17421 1 359 . 1 1 33 33 ILE HD13 H 1 0.988 0.02 . 1 . . . A 34 ILE QD1 . 17421 1 360 . 1 1 33 33 ILE C C 13 173.366 0.15 . 1 . . . A 34 ILE C . 17421 1 361 . 1 1 33 33 ILE CA C 13 61.571 0.15 . 1 . . . A 34 ILE CA . 17421 1 362 . 1 1 33 33 ILE CB C 13 43.555 0.15 . 1 . . . A 34 ILE CB . 17421 1 363 . 1 1 33 33 ILE CG1 C 13 26.921 0.004 . 1 . . . A 34 ILE CG1 . 17421 1 364 . 1 1 33 33 ILE CG2 C 13 20.227 0.15 . 1 . . . A 34 ILE CG2 . 17421 1 365 . 1 1 33 33 ILE CD1 C 13 16.728 0.15 . 1 . . . A 34 ILE CD1 . 17421 1 366 . 1 1 33 33 ILE N N 15 119.070 0.15 . 1 . . . A 34 ILE N . 17421 1 367 . 1 1 34 34 SER H H 1 7.755 0.02 . 1 . . . A 35 SER H . 17421 1 368 . 1 1 34 34 SER HA H 1 5.034 0.007 . 1 . . . A 35 SER HA . 17421 1 369 . 1 1 34 34 SER HB2 H 1 3.599 0.02 . 2 . . . A 35 SER HB2 . 17421 1 370 . 1 1 34 34 SER HB3 H 1 3.258 0.02 . 2 . . . A 35 SER HB3 . 17421 1 371 . 1 1 34 34 SER HG H 1 5.729 0.02 . 1 . . . A 35 SER HG . 17421 1 372 . 1 1 34 34 SER C C 13 175.698 0.15 . 1 . . . A 35 SER C . 17421 1 373 . 1 1 34 34 SER CA C 13 56.182 0.15 . 1 . . . A 35 SER CA . 17421 1 374 . 1 1 34 34 SER CB C 13 66.086 0.053 . 1 . . . A 35 SER CB . 17421 1 375 . 1 1 34 34 SER N N 15 111.209 0.15 . 1 . . . A 35 SER N . 17421 1 376 . 1 1 35 35 GLU H H 1 8.186 0.012 . 1 . . . A 36 GLU H . 17421 1 377 . 1 1 35 35 GLU HA H 1 3.755 0.02 . 1 . . . A 36 GLU HA . 17421 1 378 . 1 1 35 35 GLU HB2 H 1 2.397 0.02 . 2 . . . A 36 GLU HB2 . 17421 1 379 . 1 1 35 35 GLU HB3 H 1 2.182 0.005 . 2 . . . A 36 GLU HB3 . 17421 1 380 . 1 1 35 35 GLU HG2 H 1 2.398 0.02 . 2 . . . A 36 GLU HG2 . 17421 1 381 . 1 1 35 35 GLU HG3 H 1 2.506 0.002 . 2 . . . A 36 GLU HG3 . 17421 1 382 . 1 1 35 35 GLU C C 13 177.709 0.15 . 1 . . . A 36 GLU C . 17421 1 383 . 1 1 35 35 GLU CA C 13 59.764 0.140 . 1 . . . A 36 GLU CA . 17421 1 384 . 1 1 35 35 GLU CB C 13 30.556 0.061 . 1 . . . A 36 GLU CB . 17421 1 385 . 1 1 35 35 GLU CG C 13 37.968 0.053 . 1 . . . A 36 GLU CG . 17421 1 386 . 1 1 35 35 GLU N N 15 118.588 0.15 . 1 . . . A 36 GLU N . 17421 1 387 . 1 1 36 36 ASP H H 1 7.445 0.005 . 1 . . . A 37 ASP H . 17421 1 388 . 1 1 36 36 ASP HA H 1 4.308 0.006 . 1 . . . A 37 ASP HA . 17421 1 389 . 1 1 36 36 ASP HB2 H 1 2.689 0.02 . 2 . . . A 37 ASP HB2 . 17421 1 390 . 1 1 36 36 ASP HB3 H 1 2.838 0.001 . 2 . . . A 37 ASP HB3 . 17421 1 391 . 1 1 36 36 ASP C C 13 176.046 0.15 . 1 . . . A 37 ASP C . 17421 1 392 . 1 1 36 36 ASP CA C 13 55.341 0.15 . 1 . . . A 37 ASP CA . 17421 1 393 . 1 1 36 36 ASP CB C 13 40.780 0.025 . 1 . . . A 37 ASP CB . 17421 1 394 . 1 1 36 36 ASP N N 15 113.755 0.15 . 1 . . . A 37 ASP N . 17421 1 395 . 1 1 37 37 CYS H H 1 8.252 0.02 . 1 . . . A 38 CYS H . 17421 1 396 . 1 1 37 37 CYS HA H 1 3.771 0.001 . 1 . . . A 38 CYS HA . 17421 1 397 . 1 1 37 37 CYS HB2 H 1 3.052 0.001 . 2 . . . A 38 CYS HB2 . 17421 1 398 . 1 1 37 37 CYS HB3 H 1 2.787 0.001 . 2 . . . A 38 CYS HB3 . 17421 1 399 . 1 1 37 37 CYS HG H 1 1.763 0.02 . 1 . . . A 38 CYS HG . 17421 1 400 . 1 1 37 37 CYS C C 13 173.246 0.15 . 1 . . . A 38 CYS C . 17421 1 401 . 1 1 37 37 CYS CA C 13 61.589 0.15 . 1 . . . A 38 CYS CA . 17421 1 402 . 1 1 37 37 CYS CB C 13 25.988 0.15 . 1 . . . A 38 CYS CB . 17421 1 403 . 1 1 37 37 CYS N N 15 112.502 0.15 . 1 . . . A 38 CYS N . 17421 1 404 . 1 1 38 38 ARG H H 1 7.763 0.002 . 1 . . . A 39 ARG H . 17421 1 405 . 1 1 38 38 ARG HA H 1 4.063 0.02 . 1 . . . A 39 ARG HA . 17421 1 406 . 1 1 38 38 ARG HB2 H 1 1.690 0.004 . 2 . . . A 39 ARG HB2 . 17421 1 407 . 1 1 38 38 ARG HB3 H 1 1.800 0.02 . 2 . . . A 39 ARG HB3 . 17421 1 408 . 1 1 38 38 ARG HG2 H 1 1.501 0.009 . 2 . . . A 39 ARG HG2 . 17421 1 409 . 1 1 38 38 ARG HG3 H 1 1.560 0.014 . 2 . . . A 39 ARG HG3 . 17421 1 410 . 1 1 38 38 ARG HD3 H 1 3.163 0.005 . 2 . . . A 39 ARG HD3 . 17421 1 411 . 1 1 38 38 ARG CA C 13 58.052 0.15 . 1 . . . A 39 ARG CA . 17421 1 412 . 1 1 38 38 ARG CB C 13 30.885 0.005 . 1 . . . A 39 ARG CB . 17421 1 413 . 1 1 38 38 ARG CG C 13 27.858 0.005 . 1 . . . A 39 ARG CG . 17421 1 414 . 1 1 38 38 ARG CD C 13 43.360 0.15 . 1 . . . A 39 ARG CD . 17421 1 415 . 1 1 38 38 ARG N N 15 118.645 0.15 . 1 . . . A 39 ARG N . 17421 1 416 . 1 1 39 39 MET HA H 1 4.391 0.02 . 1 . . . A 40 MET HA . 17421 1 417 . 1 1 39 39 MET HB3 H 1 1.793 0.002 . 2 . . . A 40 MET HB3 . 17421 1 418 . 1 1 39 39 MET HG2 H 1 2.287 0.02 . 2 . . . A 40 MET HG2 . 17421 1 419 . 1 1 39 39 MET HG3 H 1 2.611 0.02 . 2 . . . A 40 MET HG3 . 17421 1 420 . 1 1 39 39 MET HE1 H 1 2.121 0.002 . 1 . . . A 40 MET QE . 17421 1 421 . 1 1 39 39 MET HE2 H 1 2.121 0.002 . 1 . . . A 40 MET QE . 17421 1 422 . 1 1 39 39 MET HE3 H 1 2.121 0.002 . 1 . . . A 40 MET QE . 17421 1 423 . 1 1 39 39 MET C C 13 175.041 0.15 . 1 . . . A 40 MET C . 17421 1 424 . 1 1 39 39 MET CA C 13 56.110 0.15 . 1 . . . A 40 MET CA . 17421 1 425 . 1 1 39 39 MET CG C 13 33.451 0.15 . 1 . . . A 40 MET CG . 17421 1 426 . 1 1 39 39 MET CE C 13 18.584 0.15 . 1 . . . A 40 MET CE . 17421 1 427 . 1 1 40 40 GLY H H 1 8.076 0.02 . 1 . . . A 41 GLY H . 17421 1 428 . 1 1 40 40 GLY HA2 H 1 4.215 0.006 . 2 . . . A 41 GLY HA2 . 17421 1 429 . 1 1 40 40 GLY HA3 H 1 3.619 0.001 . 2 . . . A 41 GLY HA3 . 17421 1 430 . 1 1 40 40 GLY C C 13 173.862 0.15 . 1 . . . A 41 GLY C . 17421 1 431 . 1 1 40 40 GLY CA C 13 45.814 0.120 . 1 . . . A 41 GLY CA . 17421 1 432 . 1 1 40 40 GLY N N 15 103.424 0.15 . 1 . . . A 41 GLY N . 17421 1 433 . 1 1 41 41 ALA H H 1 7.747 0.002 . 1 . . . A 42 ALA H . 17421 1 434 . 1 1 41 41 ALA HA H 1 4.631 0.005 . 1 . . . A 42 ALA HA . 17421 1 435 . 1 1 41 41 ALA HB1 H 1 1.438 0.004 . 1 . . . A 42 ALA QB . 17421 1 436 . 1 1 41 41 ALA HB2 H 1 1.438 0.004 . 1 . . . A 42 ALA QB . 17421 1 437 . 1 1 41 41 ALA HB3 H 1 1.438 0.004 . 1 . . . A 42 ALA QB . 17421 1 438 . 1 1 41 41 ALA C C 13 175.997 0.15 . 1 . . . A 42 ALA C . 17421 1 439 . 1 1 41 41 ALA CA C 13 51.387 0.15 . 1 . . . A 42 ALA CA . 17421 1 440 . 1 1 41 41 ALA CB C 13 22.962 0.15 . 1 . . . A 42 ALA CB . 17421 1 441 . 1 1 41 41 ALA N N 15 122.729 0.15 . 1 . . . A 42 ALA N . 17421 1 442 . 1 1 42 42 GLY H H 1 8.476 0.02 . 1 . . . A 43 GLY H . 17421 1 443 . 1 1 42 42 GLY HA2 H 1 3.941 0.010 . 2 . . . A 43 GLY HA2 . 17421 1 444 . 1 1 42 42 GLY HA3 H 1 4.539 0.006 . 2 . . . A 43 GLY HA3 . 17421 1 445 . 1 1 42 42 GLY C C 13 176.463 0.15 . 1 . . . A 43 GLY C . 17421 1 446 . 1 1 42 42 GLY CA C 13 46.084 0.111 . 1 . . . A 43 GLY CA . 17421 1 447 . 1 1 42 42 GLY N N 15 104.894 0.15 . 1 . . . A 43 GLY N . 17421 1 448 . 1 1 43 43 ILE H H 1 10.021 0.013 . 1 . . . A 44 ILE H . 17421 1 449 . 1 1 43 43 ILE HA H 1 4.197 0.003 . 1 . . . A 44 ILE HA . 17421 1 450 . 1 1 43 43 ILE HB H 1 1.601 0.02 . 1 . . . A 44 ILE HB . 17421 1 451 . 1 1 43 43 ILE HG12 H 1 1.775 0.002 . 2 . . . A 44 ILE HG12 . 17421 1 452 . 1 1 43 43 ILE HG13 H 1 1.600 0.014 . 2 . . . A 44 ILE HG13 . 17421 1 453 . 1 1 43 43 ILE HG21 H 1 1.097 0.006 . 1 . . . A 44 ILE QG2 . 17421 1 454 . 1 1 43 43 ILE HG22 H 1 1.097 0.006 . 1 . . . A 44 ILE QG2 . 17421 1 455 . 1 1 43 43 ILE HG23 H 1 1.097 0.006 . 1 . . . A 44 ILE QG2 . 17421 1 456 . 1 1 43 43 ILE HD11 H 1 -0.120 0.007 . 1 . . . A 44 ILE QD1 . 17421 1 457 . 1 1 43 43 ILE HD12 H 1 -0.120 0.007 . 1 . . . A 44 ILE QD1 . 17421 1 458 . 1 1 43 43 ILE HD13 H 1 -0.120 0.007 . 1 . . . A 44 ILE QD1 . 17421 1 459 . 1 1 43 43 ILE C C 13 177.727 0.15 . 1 . . . A 44 ILE C . 17421 1 460 . 1 1 43 43 ILE CA C 13 64.449 0.15 . 1 . . . A 44 ILE CA . 17421 1 461 . 1 1 43 43 ILE CB C 13 38.874 0.15 . 1 . . . A 44 ILE CB . 17421 1 462 . 1 1 43 43 ILE CG1 C 13 29.936 0.109 . 1 . . . A 44 ILE CG1 . 17421 1 463 . 1 1 43 43 ILE CG2 C 13 16.044 0.15 . 1 . . . A 44 ILE CG2 . 17421 1 464 . 1 1 43 43 ILE CD1 C 13 14.601 0.15 . 1 . . . A 44 ILE CD1 . 17421 1 465 . 1 1 43 43 ILE N N 15 126.716 0.15 . 1 . . . A 44 ILE N . 17421 1 466 . 1 1 44 44 ALA H H 1 9.369 0.02 . 1 . . . A 45 ALA H . 17421 1 467 . 1 1 44 44 ALA HA H 1 4.384 0.02 . 1 . . . A 45 ALA HA . 17421 1 468 . 1 1 44 44 ALA HB1 H 1 1.810 0.004 . 1 . . . A 45 ALA QB . 17421 1 469 . 1 1 44 44 ALA HB2 H 1 1.810 0.004 . 1 . . . A 45 ALA QB . 17421 1 470 . 1 1 44 44 ALA HB3 H 1 1.810 0.004 . 1 . . . A 45 ALA QB . 17421 1 471 . 1 1 44 44 ALA C C 13 179.659 0.15 . 1 . . . A 45 ALA C . 17421 1 472 . 1 1 44 44 ALA CA C 13 55.825 0.15 . 1 . . . A 45 ALA CA . 17421 1 473 . 1 1 44 44 ALA CB C 13 18.309 0.15 . 1 . . . A 45 ALA CB . 17421 1 474 . 1 1 44 44 ALA N N 15 126.338 0.15 . 1 . . . A 45 ALA N . 17421 1 475 . 1 1 45 45 VAL H H 1 7.382 0.003 . 1 . . . A 46 VAL H . 17421 1 476 . 1 1 45 45 VAL HA H 1 3.772 0.009 . 1 . . . A 46 VAL HA . 17421 1 477 . 1 1 45 45 VAL HB H 1 1.992 0.005 . 1 . . . A 46 VAL HB . 17421 1 478 . 1 1 45 45 VAL HG21 H 1 0.976 0.008 . 1 . . . A 46 VAL QG2 . 17421 1 479 . 1 1 45 45 VAL HG22 H 1 0.976 0.008 . 1 . . . A 46 VAL QG2 . 17421 1 480 . 1 1 45 45 VAL HG23 H 1 0.976 0.008 . 1 . . . A 46 VAL QG2 . 17421 1 481 . 1 1 45 45 VAL C C 13 178.596 0.15 . 1 . . . A 46 VAL C . 17421 1 482 . 1 1 45 45 VAL CA C 13 66.081 0.15 . 1 . . . A 46 VAL CA . 17421 1 483 . 1 1 45 45 VAL CB C 13 32.441 0.15 . 1 . . . A 46 VAL CB . 17421 1 484 . 1 1 45 45 VAL CG2 C 13 22.363 0.15 . 2 . . . A 46 VAL CG2 . 17421 1 485 . 1 1 45 45 VAL N N 15 116.319 0.15 . 1 . . . A 46 VAL N . 17421 1 486 . 1 1 46 46 LEU H H 1 7.412 0.016 . 1 . . . A 47 LEU H . 17421 1 487 . 1 1 46 46 LEU HA H 1 3.917 0.02 . 1 . . . A 47 LEU HA . 17421 1 488 . 1 1 46 46 LEU HB2 H 1 0.784 0.003 . 2 . . . A 47 LEU HB2 . 17421 1 489 . 1 1 46 46 LEU HB3 H 1 2.079 0.02 . 2 . . . A 47 LEU HB3 . 17421 1 490 . 1 1 46 46 LEU HG H 1 1.745 0.009 . 1 . . . A 47 LEU HG . 17421 1 491 . 1 1 46 46 LEU HD11 H 1 0.785 0.005 . 1 . . . A 47 LEU QD1 . 17421 1 492 . 1 1 46 46 LEU HD12 H 1 0.785 0.005 . 1 . . . A 47 LEU QD1 . 17421 1 493 . 1 1 46 46 LEU HD13 H 1 0.785 0.005 . 1 . . . A 47 LEU QD1 . 17421 1 494 . 1 1 46 46 LEU HD21 H 1 1.127 0.02 . 1 . . . A 47 LEU QD2 . 17421 1 495 . 1 1 46 46 LEU HD22 H 1 1.127 0.02 . 1 . . . A 47 LEU QD2 . 17421 1 496 . 1 1 46 46 LEU HD23 H 1 1.127 0.02 . 1 . . . A 47 LEU QD2 . 17421 1 497 . 1 1 46 46 LEU C C 13 180.083 0.15 . 1 . . . A 47 LEU C . 17421 1 498 . 1 1 46 46 LEU CA C 13 57.842 0.15 . 1 . . . A 47 LEU CA . 17421 1 499 . 1 1 46 46 LEU CB C 13 41.582 0.15 . 1 . . . A 47 LEU CB . 17421 1 500 . 1 1 46 46 LEU CG C 13 28.044 0.15 . 1 . . . A 47 LEU CG . 17421 1 501 . 1 1 46 46 LEU CD1 C 13 23.515 0.15 . 2 . . . A 47 LEU CD1 . 17421 1 502 . 1 1 46 46 LEU CD2 C 13 26.006 0.15 . 2 . . . A 47 LEU CD2 . 17421 1 503 . 1 1 46 46 LEU N N 15 119.801 0.15 . 1 . . . A 47 LEU N . 17421 1 504 . 1 1 47 47 PHE H H 1 7.608 0.02 . 1 . . . A 48 PHE H . 17421 1 505 . 1 1 47 47 PHE HA H 1 3.960 0.02 . 1 . . . A 48 PHE HA . 17421 1 506 . 1 1 47 47 PHE HB2 H 1 3.231 0.003 . 2 . . . A 48 PHE HB2 . 17421 1 507 . 1 1 47 47 PHE HB3 H 1 2.832 0.02 . 2 . . . A 48 PHE HB3 . 17421 1 508 . 1 1 47 47 PHE HD1 H 1 6.993 0.012 . 3 . . . A 48 PHE HD1 . 17421 1 509 . 1 1 47 47 PHE HD2 H 1 6.993 0.012 . 3 . . . A 48 PHE HD2 . 17421 1 510 . 1 1 47 47 PHE HE1 H 1 6.713 0.012 . 3 . . . A 48 PHE HE1 . 17421 1 511 . 1 1 47 47 PHE HE2 H 1 6.713 0.012 . 3 . . . A 48 PHE HE2 . 17421 1 512 . 1 1 47 47 PHE HZ H 1 6.710 0.02 . 1 . . . A 48 PHE HZ . 17421 1 513 . 1 1 47 47 PHE C C 13 180.587 0.15 . 1 . . . A 48 PHE C . 17421 1 514 . 1 1 47 47 PHE CA C 13 63.231 0.15 . 1 . . . A 48 PHE CA . 17421 1 515 . 1 1 47 47 PHE CB C 13 39.938 0.15 . 1 . . . A 48 PHE CB . 17421 1 516 . 1 1 47 47 PHE CD1 C 13 131.791 0.15 . 3 . . . A 48 PHE CD1 . 17421 1 517 . 1 1 47 47 PHE CE1 C 13 131.340 0.15 . 3 . . . A 48 PHE CE1 . 17421 1 518 . 1 1 47 47 PHE CZ C 13 128.424 0.15 . 1 . . . A 48 PHE CZ . 17421 1 519 . 1 1 47 47 PHE N N 15 118.240 0.15 . 1 . . . A 48 PHE N . 17421 1 520 . 1 1 48 48 LYS H H 1 9.028 0.013 . 1 . . . A 49 LYS H . 17421 1 521 . 1 1 48 48 LYS HA H 1 4.174 0.005 . 1 . . . A 49 LYS HA . 17421 1 522 . 1 1 48 48 LYS HB3 H 1 2.293 0.013 . 2 . . . A 49 LYS HB3 . 17421 1 523 . 1 1 48 48 LYS HG3 H 1 1.430 0.010 . 2 . . . A 49 LYS HG3 . 17421 1 524 . 1 1 48 48 LYS HD2 H 1 1.958 0.002 . 2 . . . A 49 LYS HD2 . 17421 1 525 . 1 1 48 48 LYS HD3 H 1 1.789 0.012 . 2 . . . A 49 LYS HD3 . 17421 1 526 . 1 1 48 48 LYS HE2 H 1 3.052 0.013 . 2 . . . A 49 LYS HE2 . 17421 1 527 . 1 1 48 48 LYS HE3 H 1 3.191 0.004 . 2 . . . A 49 LYS HE3 . 17421 1 528 . 1 1 48 48 LYS C C 13 179.353 0.15 . 1 . . . A 49 LYS C . 17421 1 529 . 1 1 48 48 LYS CA C 13 61.416 0.15 . 1 . . . A 49 LYS CA . 17421 1 530 . 1 1 48 48 LYS CB C 13 32.152 0.15 . 1 . . . A 49 LYS CB . 17421 1 531 . 1 1 48 48 LYS CG C 13 25.410 0.145 . 1 . . . A 49 LYS CG . 17421 1 532 . 1 1 48 48 LYS CD C 13 29.979 0.086 . 1 . . . A 49 LYS CD . 17421 1 533 . 1 1 48 48 LYS CE C 13 42.261 0.007 . 1 . . . A 49 LYS CE . 17421 1 534 . 1 1 48 48 LYS N N 15 125.229 0.15 . 1 . . . A 49 LYS N . 17421 1 535 . 1 1 49 49 LYS H H 1 8.192 0.001 . 1 . . . A 50 LYS H . 17421 1 536 . 1 1 49 49 LYS HA H 1 3.945 0.005 . 1 . . . A 50 LYS HA . 17421 1 537 . 1 1 49 49 LYS HB2 H 1 1.810 0.02 . 2 . . . A 50 LYS HB2 . 17421 1 538 . 1 1 49 49 LYS HB3 H 1 1.761 0.001 . 2 . . . A 50 LYS HB3 . 17421 1 539 . 1 1 49 49 LYS HG2 H 1 1.561 0.02 . 2 . . . A 50 LYS HG2 . 17421 1 540 . 1 1 49 49 LYS HG3 H 1 1.398 0.011 . 2 . . . A 50 LYS HG3 . 17421 1 541 . 1 1 49 49 LYS HD3 H 1 1.616 0.019 . 2 . . . A 50 LYS HD3 . 17421 1 542 . 1 1 49 49 LYS HE3 H 1 2.908 0.012 . 2 . . . A 50 LYS HE3 . 17421 1 543 . 1 1 49 49 LYS C C 13 178.350 0.15 . 1 . . . A 50 LYS C . 17421 1 544 . 1 1 49 49 LYS CA C 13 59.789 0.15 . 1 . . . A 50 LYS CA . 17421 1 545 . 1 1 49 49 LYS CB C 13 33.121 0.15 . 1 . . . A 50 LYS CB . 17421 1 546 . 1 1 49 49 LYS CG C 13 25.460 0.115 . 1 . . . A 50 LYS CG . 17421 1 547 . 1 1 49 49 LYS CD C 13 29.516 0.060 . 1 . . . A 50 LYS CD . 17421 1 548 . 1 1 49 49 LYS CE C 13 42.244 0.15 . 1 . . . A 50 LYS CE . 17421 1 549 . 1 1 49 49 LYS N N 15 119.455 0.15 . 1 . . . A 50 LYS N . 17421 1 550 . 1 1 50 50 LYS H H 1 7.931 0.012 . 1 . . . A 51 LYS H . 17421 1 551 . 1 1 50 50 LYS HA H 1 3.698 0.02 . 1 . . . A 51 LYS HA . 17421 1 552 . 1 1 50 50 LYS HB2 H 1 0.411 0.02 . 2 . . . A 51 LYS HB2 . 17421 1 553 . 1 1 50 50 LYS HB3 H 1 0.689 0.005 . 2 . . . A 51 LYS HB3 . 17421 1 554 . 1 1 50 50 LYS HG2 H 1 0.619 0.009 . 2 . . . A 51 LYS HG2 . 17421 1 555 . 1 1 50 50 LYS HG3 H 1 0.720 0.021 . 2 . . . A 51 LYS HG3 . 17421 1 556 . 1 1 50 50 LYS HD2 H 1 0.473 0.003 . 2 . . . A 51 LYS HD2 . 17421 1 557 . 1 1 50 50 LYS HD3 H 1 0.767 0.001 . 2 . . . A 51 LYS HD3 . 17421 1 558 . 1 1 50 50 LYS HE2 H 1 2.025 0.004 . 2 . . . A 51 LYS HE2 . 17421 1 559 . 1 1 50 50 LYS HE3 H 1 2.228 0.002 . 2 . . . A 51 LYS HE3 . 17421 1 560 . 1 1 50 50 LYS C C 13 178.442 0.15 . 1 . . . A 51 LYS C . 17421 1 561 . 1 1 50 50 LYS CA C 13 59.006 0.15 . 1 . . . A 51 LYS CA . 17421 1 562 . 1 1 50 50 LYS CB C 13 32.702 0.15 . 1 . . . A 51 LYS CB . 17421 1 563 . 1 1 50 50 LYS CG C 13 25.314 0.15 . 1 . . . A 51 LYS CG . 17421 1 564 . 1 1 50 50 LYS CD C 13 28.902 0.003 . 1 . . . A 51 LYS CD . 17421 1 565 . 1 1 50 50 LYS CE C 13 41.863 0.036 . 1 . . . A 51 LYS CE . 17421 1 566 . 1 1 50 50 LYS N N 15 116.001 0.15 . 1 . . . A 51 LYS N . 17421 1 567 . 1 1 51 51 PHE H H 1 7.710 0.002 . 1 . . . A 52 PHE H . 17421 1 568 . 1 1 51 51 PHE HA H 1 5.055 0.005 . 1 . . . A 52 PHE HA . 17421 1 569 . 1 1 51 51 PHE HB2 H 1 3.247 0.005 . 2 . . . A 52 PHE HB2 . 17421 1 570 . 1 1 51 51 PHE HB3 H 1 3.066 0.002 . 2 . . . A 52 PHE HB3 . 17421 1 571 . 1 1 51 51 PHE HD1 H 1 7.348 0.012 . 3 . . . A 52 PHE HD1 . 17421 1 572 . 1 1 51 51 PHE HD2 H 1 7.348 0.012 . 3 . . . A 52 PHE HD2 . 17421 1 573 . 1 1 51 51 PHE HE1 H 1 7.081 0.02 . 3 . . . A 52 PHE HE1 . 17421 1 574 . 1 1 51 51 PHE HE2 H 1 7.081 0.02 . 3 . . . A 52 PHE HE2 . 17421 1 575 . 1 1 51 51 PHE HZ H 1 7.080 0.02 . 1 . . . A 52 PHE HZ . 17421 1 576 . 1 1 51 51 PHE C C 13 176.355 0.15 . 1 . . . A 52 PHE C . 17421 1 577 . 1 1 51 51 PHE CA C 13 57.129 0.15 . 1 . . . A 52 PHE CA . 17421 1 578 . 1 1 51 51 PHE CB C 13 40.919 0.15 . 1 . . . A 52 PHE CB . 17421 1 579 . 1 1 51 51 PHE CD2 C 13 131.952 0.15 . 3 . . . A 52 PHE CD2 . 17421 1 580 . 1 1 51 51 PHE CE2 C 13 131.532 0.15 . 3 . . . A 52 PHE CE2 . 17421 1 581 . 1 1 51 51 PHE CZ C 13 130.755 0.15 . 1 . . . A 52 PHE CZ . 17421 1 582 . 1 1 51 51 PHE N N 15 113.021 0.15 . 1 . . . A 52 PHE N . 17421 1 583 . 1 1 52 52 GLY H H 1 7.865 0.02 . 1 . . . A 53 GLY H . 17421 1 584 . 1 1 52 52 GLY HA2 H 1 3.973 0.02 . 2 . . . A 53 GLY HA2 . 17421 1 585 . 1 1 52 52 GLY HA3 H 1 3.973 0.02 . 2 . . . A 53 GLY HA3 . 17421 1 586 . 1 1 52 52 GLY C C 13 174.448 0.15 . 1 . . . A 53 GLY C . 17421 1 587 . 1 1 52 52 GLY CA C 13 46.894 0.15 . 1 . . . A 53 GLY CA . 17421 1 588 . 1 1 52 52 GLY N N 15 108.573 0.15 . 1 . . . A 53 GLY N . 17421 1 589 . 1 1 53 53 GLY H H 1 8.598 0.02 . 1 . . . A 54 GLY H . 17421 1 590 . 1 1 53 53 GLY HA2 H 1 3.964 0.02 . 2 . . . A 54 GLY HA2 . 17421 1 591 . 1 1 53 53 GLY HA3 H 1 4.061 0.02 . 2 . . . A 54 GLY HA3 . 17421 1 592 . 1 1 53 53 GLY C C 13 174.781 0.15 . 1 . . . A 54 GLY C . 17421 1 593 . 1 1 53 53 GLY CA C 13 46.894 0.057 . 1 . . . A 54 GLY CA . 17421 1 594 . 1 1 53 53 GLY N N 15 109.038 0.15 . 1 . . . A 54 GLY N . 17421 1 595 . 1 1 54 54 VAL H H 1 7.985 0.002 . 1 . . . A 55 VAL H . 17421 1 596 . 1 1 54 54 VAL HA H 1 3.354 0.007 . 1 . . . A 55 VAL HA . 17421 1 597 . 1 1 54 54 VAL HB H 1 2.044 0.02 . 1 . . . A 55 VAL HB . 17421 1 598 . 1 1 54 54 VAL HG11 H 1 1.012 0.003 . 1 . . . A 55 VAL QG1 . 17421 1 599 . 1 1 54 54 VAL HG12 H 1 1.012 0.003 . 1 . . . A 55 VAL QG1 . 17421 1 600 . 1 1 54 54 VAL HG13 H 1 1.012 0.003 . 1 . . . A 55 VAL QG1 . 17421 1 601 . 1 1 54 54 VAL HG21 H 1 0.954 0.008 . 1 . . . A 55 VAL QG2 . 17421 1 602 . 1 1 54 54 VAL HG22 H 1 0.954 0.008 . 1 . . . A 55 VAL QG2 . 17421 1 603 . 1 1 54 54 VAL HG23 H 1 0.954 0.008 . 1 . . . A 55 VAL QG2 . 17421 1 604 . 1 1 54 54 VAL C C 13 177.711 0.15 . 1 . . . A 55 VAL C . 17421 1 605 . 1 1 54 54 VAL CA C 13 68.358 0.15 . 1 . . . A 55 VAL CA . 17421 1 606 . 1 1 54 54 VAL CB C 13 31.470 0.15 . 1 . . . A 55 VAL CB . 17421 1 607 . 1 1 54 54 VAL CG1 C 13 23.477 0.15 . 2 . . . A 55 VAL CG1 . 17421 1 608 . 1 1 54 54 VAL CG2 C 13 21.091 0.15 . 2 . . . A 55 VAL CG2 . 17421 1 609 . 1 1 54 54 VAL N N 15 119.068 0.15 . 1 . . . A 55 VAL N . 17421 1 610 . 1 1 55 55 GLN H H 1 8.514 0.012 . 1 . . . A 56 GLN H . 17421 1 611 . 1 1 55 55 GLN HA H 1 3.976 0.02 . 1 . . . A 56 GLN HA . 17421 1 612 . 1 1 55 55 GLN HB2 H 1 2.113 0.02 . 2 . . . A 56 GLN HB2 . 17421 1 613 . 1 1 55 55 GLN HB3 H 1 2.073 0.006 . 2 . . . A 56 GLN HB3 . 17421 1 614 . 1 1 55 55 GLN HG3 H 1 2.418 0.006 . 2 . . . A 56 GLN HG3 . 17421 1 615 . 1 1 55 55 GLN HE21 H 1 7.005 0.02 . 2 . . . A 56 GLN HE21 . 17421 1 616 . 1 1 55 55 GLN HE22 H 1 7.510 0.003 . 2 . . . A 56 GLN HE22 . 17421 1 617 . 1 1 55 55 GLN C C 13 178.133 0.15 . 1 . . . A 56 GLN C . 17421 1 618 . 1 1 55 55 GLN CA C 13 59.083 0.15 . 1 . . . A 56 GLN CA . 17421 1 619 . 1 1 55 55 GLN CB C 13 28.388 0.15 . 1 . . . A 56 GLN CB . 17421 1 620 . 1 1 55 55 GLN CG C 13 34.469 0.15 . 1 . . . A 56 GLN CG . 17421 1 621 . 1 1 55 55 GLN N N 15 116.856 0.15 . 1 . . . A 56 GLN N . 17421 1 622 . 1 1 55 55 GLN NE2 N 15 114.764 0.15 . 1 . . . A 56 GLN NE2 . 17421 1 623 . 1 1 56 56 GLU H H 1 7.508 0.001 . 1 . . . A 57 GLU H . 17421 1 624 . 1 1 56 56 GLU HA H 1 4.004 0.001 . 1 . . . A 57 GLU HA . 17421 1 625 . 1 1 56 56 GLU HB2 H 1 2.223 0.009 . 2 . . . A 57 GLU HB2 . 17421 1 626 . 1 1 56 56 GLU HB3 H 1 2.022 0.02 . 2 . . . A 57 GLU HB3 . 17421 1 627 . 1 1 56 56 GLU HG2 H 1 2.281 0.02 . 2 . . . A 57 GLU HG2 . 17421 1 628 . 1 1 56 56 GLU HG3 H 1 2.340 0.02 . 2 . . . A 57 GLU HG3 . 17421 1 629 . 1 1 56 56 GLU C C 13 180.306 0.15 . 1 . . . A 57 GLU C . 17421 1 630 . 1 1 56 56 GLU CA C 13 59.987 0.15 . 1 . . . A 57 GLU CA . 17421 1 631 . 1 1 56 56 GLU CB C 13 29.806 0.005 . 1 . . . A 57 GLU CB . 17421 1 632 . 1 1 56 56 GLU CG C 13 37.508 0.15 . 1 . . . A 57 GLU CG . 17421 1 633 . 1 1 56 56 GLU N N 15 119.664 0.15 . 1 . . . A 57 GLU N . 17421 1 634 . 1 1 57 57 LEU H H 1 8.427 0.02 . 1 . . . A 58 LEU H . 17421 1 635 . 1 1 57 57 LEU HA H 1 3.867 0.02 . 1 . . . A 58 LEU HA . 17421 1 636 . 1 1 57 57 LEU HB2 H 1 2.037 0.003 . 2 . . . A 58 LEU HB2 . 17421 1 637 . 1 1 57 57 LEU HB3 H 1 1.062 0.001 . 2 . . . A 58 LEU HB3 . 17421 1 638 . 1 1 57 57 LEU HG H 1 1.485 0.02 . 1 . . . A 58 LEU HG . 17421 1 639 . 1 1 57 57 LEU HD11 H 1 0.100 0.02 . 1 . . . A 58 LEU QD1 . 17421 1 640 . 1 1 57 57 LEU HD12 H 1 0.100 0.02 . 1 . . . A 58 LEU QD1 . 17421 1 641 . 1 1 57 57 LEU HD13 H 1 0.100 0.02 . 1 . . . A 58 LEU QD1 . 17421 1 642 . 1 1 57 57 LEU HD21 H 1 -0.037 0.003 . 1 . . . A 58 LEU QD2 . 17421 1 643 . 1 1 57 57 LEU HD22 H 1 -0.037 0.003 . 1 . . . A 58 LEU QD2 . 17421 1 644 . 1 1 57 57 LEU HD23 H 1 -0.037 0.003 . 1 . . . A 58 LEU QD2 . 17421 1 645 . 1 1 57 57 LEU C C 13 180.924 0.15 . 1 . . . A 58 LEU C . 17421 1 646 . 1 1 57 57 LEU CA C 13 58.318 0.029 . 1 . . . A 58 LEU CA . 17421 1 647 . 1 1 57 57 LEU CB C 13 42.792 0.004 . 1 . . . A 58 LEU CB . 17421 1 648 . 1 1 57 57 LEU CG C 13 25.754 0.15 . 1 . . . A 58 LEU CG . 17421 1 649 . 1 1 57 57 LEU CD1 C 13 26.006 0.15 . 2 . . . A 58 LEU CD1 . 17421 1 650 . 1 1 57 57 LEU CD2 C 13 23.320 0.15 . 2 . . . A 58 LEU CD2 . 17421 1 651 . 1 1 57 57 LEU N N 15 121.249 0.15 . 1 . . . A 58 LEU N . 17421 1 652 . 1 1 58 58 LEU H H 1 8.613 0.014 . 1 . . . A 59 LEU H . 17421 1 653 . 1 1 58 58 LEU HA H 1 3.999 0.02 . 1 . . . A 59 LEU HA . 17421 1 654 . 1 1 58 58 LEU HB2 H 1 1.911 0.02 . 2 . . . A 59 LEU HB2 . 17421 1 655 . 1 1 58 58 LEU HB3 H 1 1.437 0.02 . 2 . . . A 59 LEU HB3 . 17421 1 656 . 1 1 58 58 LEU HG H 1 1.740 0.003 . 1 . . . A 59 LEU HG . 17421 1 657 . 1 1 58 58 LEU HD11 H 1 0.915 0.011 . 1 . . . A 59 LEU QD1 . 17421 1 658 . 1 1 58 58 LEU HD12 H 1 0.915 0.011 . 1 . . . A 59 LEU QD1 . 17421 1 659 . 1 1 58 58 LEU HD13 H 1 0.915 0.011 . 1 . . . A 59 LEU QD1 . 17421 1 660 . 1 1 58 58 LEU HD21 H 1 0.854 0.011 . 1 . . . A 59 LEU QD2 . 17421 1 661 . 1 1 58 58 LEU HD22 H 1 0.854 0.011 . 1 . . . A 59 LEU QD2 . 17421 1 662 . 1 1 58 58 LEU HD23 H 1 0.854 0.011 . 1 . . . A 59 LEU QD2 . 17421 1 663 . 1 1 58 58 LEU C C 13 181.388 0.15 . 1 . . . A 59 LEU C . 17421 1 664 . 1 1 58 58 LEU CA C 13 58.605 0.15 . 1 . . . A 59 LEU CA . 17421 1 665 . 1 1 58 58 LEU CB C 13 42.509 0.088 . 1 . . . A 59 LEU CB . 17421 1 666 . 1 1 58 58 LEU CG C 13 27.324 0.008 . 1 . . . A 59 LEU CG . 17421 1 667 . 1 1 58 58 LEU CD1 C 13 23.185 0.15 . 2 . . . A 59 LEU CD1 . 17421 1 668 . 1 1 58 58 LEU CD2 C 13 26.058 0.15 . 2 . . . A 59 LEU CD2 . 17421 1 669 . 1 1 58 58 LEU N N 15 123.380 0.15 . 1 . . . A 59 LEU N . 17421 1 670 . 1 1 59 59 ASN H H 1 8.319 0.02 . 1 . . . A 60 ASN H . 17421 1 671 . 1 1 59 59 ASN HA H 1 4.580 0.001 . 1 . . . A 60 ASN HA . 17421 1 672 . 1 1 59 59 ASN HB3 H 1 2.954 0.001 . 2 . . . A 60 ASN HB3 . 17421 1 673 . 1 1 59 59 ASN HD21 H 1 6.983 0.02 . 2 . . . A 60 ASN HD21 . 17421 1 674 . 1 1 59 59 ASN HD22 H 1 7.672 0.02 . 2 . . . A 60 ASN HD22 . 17421 1 675 . 1 1 59 59 ASN C C 13 176.896 0.15 . 1 . . . A 60 ASN C . 17421 1 676 . 1 1 59 59 ASN CA C 13 54.837 0.15 . 1 . . . A 60 ASN CA . 17421 1 677 . 1 1 59 59 ASN CB C 13 38.485 0.15 . 1 . . . A 60 ASN CB . 17421 1 678 . 1 1 59 59 ASN N N 15 116.937 0.15 . 1 . . . A 60 ASN N . 17421 1 679 . 1 1 59 59 ASN ND2 N 15 111.027 0.15 . 1 . . . A 60 ASN ND2 . 17421 1 680 . 1 1 60 60 GLN H H 1 7.682 0.004 . 1 . . . A 61 GLN H . 17421 1 681 . 1 1 60 60 GLN HA H 1 4.188 0.007 . 1 . . . A 61 GLN HA . 17421 1 682 . 1 1 60 60 GLN HB2 H 1 2.156 0.002 . 2 . . . A 61 GLN HB2 . 17421 1 683 . 1 1 60 60 GLN HB3 H 1 2.290 0.008 . 2 . . . A 61 GLN HB3 . 17421 1 684 . 1 1 60 60 GLN HG2 H 1 2.486 0.004 . 2 . . . A 61 GLN HG2 . 17421 1 685 . 1 1 60 60 GLN HG3 H 1 2.976 0.004 . 2 . . . A 61 GLN HG3 . 17421 1 686 . 1 1 60 60 GLN HE21 H 1 6.727 0.009 . 2 . . . A 61 GLN HE21 . 17421 1 687 . 1 1 60 60 GLN HE22 H 1 7.716 0.005 . 2 . . . A 61 GLN HE22 . 17421 1 688 . 1 1 60 60 GLN C C 13 175.969 0.15 . 1 . . . A 61 GLN C . 17421 1 689 . 1 1 60 60 GLN CA C 13 58.424 0.15 . 1 . . . A 61 GLN CA . 17421 1 690 . 1 1 60 60 GLN CB C 13 28.853 0.016 . 1 . . . A 61 GLN CB . 17421 1 691 . 1 1 60 60 GLN CG C 13 35.260 0.008 . 1 . . . A 61 GLN CG . 17421 1 692 . 1 1 60 60 GLN N N 15 118.330 0.15 . 1 . . . A 61 GLN N . 17421 1 693 . 1 1 60 60 GLN NE2 N 15 111.217 0.15 . 1 . . . A 61 GLN NE2 . 17421 1 694 . 1 1 61 61 GLN H H 1 7.814 0.003 . 1 . . . A 62 GLN H . 17421 1 695 . 1 1 61 61 GLN HA H 1 4.024 0.004 . 1 . . . A 62 GLN HA . 17421 1 696 . 1 1 61 61 GLN HB2 H 1 2.103 0.012 . 2 . . . A 62 GLN HB2 . 17421 1 697 . 1 1 61 61 GLN HB3 H 1 2.229 0.004 . 2 . . . A 62 GLN HB3 . 17421 1 698 . 1 1 61 61 GLN HG3 H 1 2.351 0.010 . 2 . . . A 62 GLN HG3 . 17421 1 699 . 1 1 61 61 GLN HE21 H 1 6.815 0.004 . 2 . . . A 62 GLN HE21 . 17421 1 700 . 1 1 61 61 GLN HE22 H 1 7.464 0.02 . 2 . . . A 62 GLN HE22 . 17421 1 701 . 1 1 61 61 GLN C C 13 175.234 0.15 . 1 . . . A 62 GLN C . 17421 1 702 . 1 1 61 61 GLN CA C 13 57.035 0.15 . 1 . . . A 62 GLN CA . 17421 1 703 . 1 1 61 61 GLN CB C 13 27.183 0.002 . 1 . . . A 62 GLN CB . 17421 1 704 . 1 1 61 61 GLN CG C 13 34.470 0.15 . 1 . . . A 62 GLN CG . 17421 1 705 . 1 1 61 61 GLN N N 15 114.180 0.15 . 1 . . . A 62 GLN N . 17421 1 706 . 1 1 61 61 GLN NE2 N 15 112.148 0.15 . 1 . . . A 62 GLN NE2 . 17421 1 707 . 1 1 62 62 LYS H H 1 9.094 0.003 . 1 . . . A 63 LYS H . 17421 1 708 . 1 1 62 62 LYS HA H 1 4.459 0.020 . 1 . . . A 63 LYS HA . 17421 1 709 . 1 1 62 62 LYS HB3 H 1 1.936 0.012 . 2 . . . A 63 LYS HB3 . 17421 1 710 . 1 1 62 62 LYS HG2 H 1 1.402 0.02 . 2 . . . A 63 LYS HG2 . 17421 1 711 . 1 1 62 62 LYS HG3 H 1 1.368 0.02 . 2 . . . A 63 LYS HG3 . 17421 1 712 . 1 1 62 62 LYS HD2 H 1 1.746 0.002 . 2 . . . A 63 LYS HD2 . 17421 1 713 . 1 1 62 62 LYS HD3 H 1 1.607 0.011 . 2 . . . A 63 LYS HD3 . 17421 1 714 . 1 1 62 62 LYS HE2 H 1 3.127 0.003 . 2 . . . A 63 LYS HE2 . 17421 1 715 . 1 1 62 62 LYS HE3 H 1 3.331 0.010 . 2 . . . A 63 LYS HE3 . 17421 1 716 . 1 1 62 62 LYS C C 13 177.031 0.15 . 1 . . . A 63 LYS C . 17421 1 717 . 1 1 62 62 LYS CA C 13 54.640 0.15 . 1 . . . A 63 LYS CA . 17421 1 718 . 1 1 62 62 LYS CB C 13 32.893 0.15 . 1 . . . A 63 LYS CB . 17421 1 719 . 1 1 62 62 LYS CG C 13 24.467 0.15 . 1 . . . A 63 LYS CG . 17421 1 720 . 1 1 62 62 LYS CD C 13 28.093 0.097 . 1 . . . A 63 LYS CD . 17421 1 721 . 1 1 62 62 LYS CE C 13 42.800 0.011 . 1 . . . A 63 LYS CE . 17421 1 722 . 1 1 62 62 LYS N N 15 118.637 0.15 . 1 . . . A 63 LYS N . 17421 1 723 . 1 1 63 63 LYS H H 1 9.047 0.02 . 1 . . . A 64 LYS H . 17421 1 724 . 1 1 63 63 LYS HA H 1 4.518 0.02 . 1 . . . A 64 LYS HA . 17421 1 725 . 1 1 63 63 LYS HB2 H 1 1.601 0.010 . 2 . . . A 64 LYS HB2 . 17421 1 726 . 1 1 63 63 LYS HB3 H 1 1.836 0.003 . 2 . . . A 64 LYS HB3 . 17421 1 727 . 1 1 63 63 LYS HG3 H 1 1.390 0.010 . 2 . . . A 64 LYS HG3 . 17421 1 728 . 1 1 63 63 LYS HD3 H 1 1.613 0.005 . 2 . . . A 64 LYS HD3 . 17421 1 729 . 1 1 63 63 LYS HE3 H 1 3.000 0.026 . 2 . . . A 64 LYS HE3 . 17421 1 730 . 1 1 63 63 LYS C C 13 175.196 0.15 . 1 . . . A 64 LYS C . 17421 1 731 . 1 1 63 63 LYS CA C 13 53.520 0.15 . 1 . . . A 64 LYS CA . 17421 1 732 . 1 1 63 63 LYS CB C 13 36.025 0.15 . 1 . . . A 64 LYS CB . 17421 1 733 . 1 1 63 63 LYS CG C 13 24.711 0.15 . 1 . . . A 64 LYS CG . 17421 1 734 . 1 1 63 63 LYS CD C 13 29.198 0.15 . 1 . . . A 64 LYS CD . 17421 1 735 . 1 1 63 63 LYS CE C 13 42.366 0.15 . 1 . . . A 64 LYS CE . 17421 1 736 . 1 1 63 63 LYS N N 15 121.680 0.15 . 1 . . . A 64 LYS N . 17421 1 737 . 1 1 64 64 SER H H 1 8.595 0.006 . 1 . . . A 65 SER H . 17421 1 738 . 1 1 64 64 SER HA H 1 3.923 0.007 . 1 . . . A 65 SER HA . 17421 1 739 . 1 1 64 64 SER HB2 H 1 3.627 0.007 . 2 . . . A 65 SER HB2 . 17421 1 740 . 1 1 64 64 SER HB3 H 1 3.358 0.005 . 2 . . . A 65 SER HB3 . 17421 1 741 . 1 1 64 64 SER C C 13 175.814 0.15 . 1 . . . A 65 SER C . 17421 1 742 . 1 1 64 64 SER CA C 13 61.317 0.15 . 1 . . . A 65 SER CA . 17421 1 743 . 1 1 64 64 SER CB C 13 64.849 0.15 . 1 . . . A 65 SER CB . 17421 1 744 . 1 1 64 64 SER N N 15 114.018 0.15 . 1 . . . A 65 SER N . 17421 1 745 . 1 1 65 65 GLY H H 1 9.347 0.02 . 1 . . . A 66 GLY H . 17421 1 746 . 1 1 65 65 GLY HA2 H 1 4.211 0.020 . 2 . . . A 66 GLY HA2 . 17421 1 747 . 1 1 65 65 GLY HA3 H 1 4.167 0.02 . 2 . . . A 66 GLY HA3 . 17421 1 748 . 1 1 65 65 GLY C C 13 172.606 0.15 . 1 . . . A 66 GLY C . 17421 1 749 . 1 1 65 65 GLY CA C 13 45.428 0.15 . 1 . . . A 66 GLY CA . 17421 1 750 . 1 1 65 65 GLY N N 15 112.182 0.15 . 1 . . . A 66 GLY N . 17421 1 751 . 1 1 66 66 GLU H H 1 7.945 0.010 . 1 . . . A 67 GLU H . 17421 1 752 . 1 1 66 66 GLU HA H 1 4.552 0.005 . 1 . . . A 67 GLU HA . 17421 1 753 . 1 1 66 66 GLU HB2 H 1 2.578 0.005 . 2 . . . A 67 GLU HB2 . 17421 1 754 . 1 1 66 66 GLU HB3 H 1 2.290 0.001 . 2 . . . A 67 GLU HB3 . 17421 1 755 . 1 1 66 66 GLU HG3 H 1 2.038 0.002 . 2 . . . A 67 GLU HG3 . 17421 1 756 . 1 1 66 66 GLU C C 13 174.598 0.15 . 1 . . . A 67 GLU C . 17421 1 757 . 1 1 66 66 GLU CA C 13 54.089 0.15 . 1 . . . A 67 GLU CA . 17421 1 758 . 1 1 66 66 GLU CB C 13 32.543 0.15 . 1 . . . A 67 GLU CB . 17421 1 759 . 1 1 66 66 GLU CG C 13 37.721 0.15 . 1 . . . A 67 GLU CG . 17421 1 760 . 1 1 66 66 GLU N N 15 117.357 0.15 . 1 . . . A 67 GLU N . 17421 1 761 . 1 1 67 67 VAL H H 1 8.210 0.02 . 1 . . . A 68 VAL H . 17421 1 762 . 1 1 67 67 VAL HA H 1 5.199 0.005 . 1 . . . A 68 VAL HA . 17421 1 763 . 1 1 67 67 VAL HB H 1 1.981 0.006 . 1 . . . A 68 VAL HB . 17421 1 764 . 1 1 67 67 VAL HG11 H 1 0.818 0.001 . 1 . . . A 68 VAL QG1 . 17421 1 765 . 1 1 67 67 VAL HG12 H 1 0.818 0.001 . 1 . . . A 68 VAL QG1 . 17421 1 766 . 1 1 67 67 VAL HG13 H 1 0.818 0.001 . 1 . . . A 68 VAL QG1 . 17421 1 767 . 1 1 67 67 VAL HG21 H 1 1.110 0.02 . 1 . . . A 68 VAL QG2 . 17421 1 768 . 1 1 67 67 VAL HG22 H 1 1.110 0.02 . 1 . . . A 68 VAL QG2 . 17421 1 769 . 1 1 67 67 VAL HG23 H 1 1.110 0.02 . 1 . . . A 68 VAL QG2 . 17421 1 770 . 1 1 67 67 VAL C C 13 172.258 0.15 . 1 . . . A 68 VAL C . 17421 1 771 . 1 1 67 67 VAL CA C 13 59.523 0.15 . 1 . . . A 68 VAL CA . 17421 1 772 . 1 1 67 67 VAL CB C 13 36.051 0.15 . 1 . . . A 68 VAL CB . 17421 1 773 . 1 1 67 67 VAL CG1 C 13 20.454 0.15 . 2 . . . A 68 VAL CG1 . 17421 1 774 . 1 1 67 67 VAL CG2 C 13 24.739 0.15 . 2 . . . A 68 VAL CG2 . 17421 1 775 . 1 1 67 67 VAL N N 15 117.614 0.15 . 1 . . . A 68 VAL N . 17421 1 776 . 1 1 68 68 ALA H H 1 8.908 0.02 . 1 . . . A 69 ALA H . 17421 1 777 . 1 1 68 68 ALA HA H 1 4.902 0.02 . 1 . . . A 69 ALA HA . 17421 1 778 . 1 1 68 68 ALA HB1 H 1 1.271 0.006 . 1 . . . A 69 ALA QB . 17421 1 779 . 1 1 68 68 ALA HB2 H 1 1.271 0.006 . 1 . . . A 69 ALA QB . 17421 1 780 . 1 1 68 68 ALA HB3 H 1 1.271 0.006 . 1 . . . A 69 ALA QB . 17421 1 781 . 1 1 68 68 ALA C C 13 176.183 0.15 . 1 . . . A 69 ALA C . 17421 1 782 . 1 1 68 68 ALA CA C 13 50.774 0.15 . 1 . . . A 69 ALA CA . 17421 1 783 . 1 1 68 68 ALA CB C 13 21.521 0.15 . 1 . . . A 69 ALA CB . 17421 1 784 . 1 1 68 68 ALA N N 15 130.669 0.15 . 1 . . . A 69 ALA N . 17421 1 785 . 1 1 69 69 VAL H H 1 8.628 0.006 . 1 . . . A 70 VAL H . 17421 1 786 . 1 1 69 69 VAL HA H 1 5.283 0.005 . 1 . . . A 70 VAL HA . 17421 1 787 . 1 1 69 69 VAL HB H 1 1.679 0.004 . 1 . . . A 70 VAL HB . 17421 1 788 . 1 1 69 69 VAL HG21 H 1 0.522 0.002 . 1 . . . A 70 VAL QG2 . 17421 1 789 . 1 1 69 69 VAL HG22 H 1 0.522 0.002 . 1 . . . A 70 VAL QG2 . 17421 1 790 . 1 1 69 69 VAL HG23 H 1 0.522 0.002 . 1 . . . A 70 VAL QG2 . 17421 1 791 . 1 1 69 69 VAL C C 13 176.374 0.15 . 1 . . . A 70 VAL C . 17421 1 792 . 1 1 69 69 VAL CA C 13 61.289 0.15 . 1 . . . A 70 VAL CA . 17421 1 793 . 1 1 69 69 VAL CB C 13 36.513 0.15 . 1 . . . A 70 VAL CB . 17421 1 794 . 1 1 69 69 VAL CG2 C 13 21.887 0.15 . 2 . . . A 70 VAL CG2 . 17421 1 795 . 1 1 69 69 VAL N N 15 119.386 0.15 . 1 . . . A 70 VAL N . 17421 1 796 . 1 1 70 70 LEU H H 1 9.024 0.013 . 1 . . . A 71 LEU H . 17421 1 797 . 1 1 70 70 LEU HA H 1 4.820 0.009 . 1 . . . A 71 LEU HA . 17421 1 798 . 1 1 70 70 LEU HB2 H 1 1.672 0.004 . 2 . . . A 71 LEU HB2 . 17421 1 799 . 1 1 70 70 LEU HB3 H 1 1.261 0.002 . 2 . . . A 71 LEU HB3 . 17421 1 800 . 1 1 70 70 LEU HG H 1 1.481 0.007 . 1 . . . A 71 LEU HG . 17421 1 801 . 1 1 70 70 LEU HD11 H 1 0.848 0.02 . 1 . . . A 71 LEU QD1 . 17421 1 802 . 1 1 70 70 LEU HD12 H 1 0.848 0.02 . 1 . . . A 71 LEU QD1 . 17421 1 803 . 1 1 70 70 LEU HD13 H 1 0.848 0.02 . 1 . . . A 71 LEU QD1 . 17421 1 804 . 1 1 70 70 LEU HD21 H 1 0.896 0.005 . 1 . . . A 71 LEU QD2 . 17421 1 805 . 1 1 70 70 LEU HD22 H 1 0.896 0.005 . 1 . . . A 71 LEU QD2 . 17421 1 806 . 1 1 70 70 LEU HD23 H 1 0.896 0.005 . 1 . . . A 71 LEU QD2 . 17421 1 807 . 1 1 70 70 LEU C C 13 174.905 0.15 . 1 . . . A 71 LEU C . 17421 1 808 . 1 1 70 70 LEU CA C 13 53.794 0.15 . 1 . . . A 71 LEU CA . 17421 1 809 . 1 1 70 70 LEU CB C 13 46.822 0.001 . 1 . . . A 71 LEU CB . 17421 1 810 . 1 1 70 70 LEU CG C 13 27.190 0.15 . 1 . . . A 71 LEU CG . 17421 1 811 . 1 1 70 70 LEU CD1 C 13 23.220 0.15 . 2 . . . A 71 LEU CD1 . 17421 1 812 . 1 1 70 70 LEU CD2 C 13 26.051 0.018 . 2 . . . A 71 LEU CD2 . 17421 1 813 . 1 1 70 70 LEU N N 15 126.596 0.15 . 1 . . . A 71 LEU N . 17421 1 814 . 1 1 71 71 LYS H H 1 8.780 0.02 . 1 . . . A 72 LYS H . 17421 1 815 . 1 1 71 71 LYS HA H 1 4.793 0.02 . 1 . . . A 72 LYS HA . 17421 1 816 . 1 1 71 71 LYS HB2 H 1 1.839 0.02 . 2 . . . A 72 LYS HB2 . 17421 1 817 . 1 1 71 71 LYS HB3 H 1 1.533 0.006 . 2 . . . A 72 LYS HB3 . 17421 1 818 . 1 1 71 71 LYS HG2 H 1 1.025 0.004 . 2 . . . A 72 LYS HG2 . 17421 1 819 . 1 1 71 71 LYS HG3 H 1 0.529 0.002 . 2 . . . A 72 LYS HG3 . 17421 1 820 . 1 1 71 71 LYS HD3 H 1 1.530 0.005 . 2 . . . A 72 LYS HD3 . 17421 1 821 . 1 1 71 71 LYS HE2 H 1 2.551 0.003 . 2 . . . A 72 LYS HE2 . 17421 1 822 . 1 1 71 71 LYS HE3 H 1 2.712 0.008 . 2 . . . A 72 LYS HE3 . 17421 1 823 . 1 1 71 71 LYS C C 13 177.570 0.15 . 1 . . . A 72 LYS C . 17421 1 824 . 1 1 71 71 LYS CA C 13 55.606 0.15 . 1 . . . A 72 LYS CA . 17421 1 825 . 1 1 71 71 LYS CB C 13 34.039 0.021 . 1 . . . A 72 LYS CB . 17421 1 826 . 1 1 71 71 LYS CG C 13 25.382 0.15 . 1 . . . A 72 LYS CG . 17421 1 827 . 1 1 71 71 LYS CD C 13 29.818 0.036 . 1 . . . A 72 LYS CD . 17421 1 828 . 1 1 71 71 LYS CE C 13 42.214 0.15 . 1 . . . A 72 LYS CE . 17421 1 829 . 1 1 71 71 LYS N N 15 123.733 0.15 . 1 . . . A 72 LYS N . 17421 1 830 . 1 1 72 72 ARG H H 1 8.744 0.02 . 1 . . . A 73 ARG H . 17421 1 831 . 1 1 72 72 ARG HA H 1 4.806 0.02 . 1 . . . A 73 ARG HA . 17421 1 832 . 1 1 72 72 ARG HB2 H 1 1.781 0.02 . 2 . . . A 73 ARG HB2 . 17421 1 833 . 1 1 72 72 ARG HB3 H 1 1.399 0.008 . 2 . . . A 73 ARG HB3 . 17421 1 834 . 1 1 72 72 ARG HG3 H 1 1.309 0.02 . 2 . . . A 73 ARG HG3 . 17421 1 835 . 1 1 72 72 ARG HD2 H 1 3.715 0.02 . 2 . . . A 73 ARG HD2 . 17421 1 836 . 1 1 72 72 ARG HD3 H 1 3.470 0.002 . 2 . . . A 73 ARG HD3 . 17421 1 837 . 1 1 72 72 ARG HE H 1 7.759 0.007 . 1 . . . A 73 ARG HE . 17421 1 838 . 1 1 72 72 ARG C C 13 175.640 0.15 . 1 . . . A 73 ARG C . 17421 1 839 . 1 1 72 72 ARG CA C 13 53.190 0.15 . 1 . . . A 73 ARG CA . 17421 1 840 . 1 1 72 72 ARG CB C 13 34.098 0.15 . 1 . . . A 73 ARG CB . 17421 1 841 . 1 1 72 72 ARG CD C 13 43.486 0.15 . 1 . . . A 73 ARG CD . 17421 1 842 . 1 1 72 72 ARG N N 15 128.128 0.15 . 1 . . . A 73 ARG N . 17421 1 843 . 1 1 72 72 ARG NE N 15 85.172 0.15 . 1 . . . A 73 ARG NE . 17421 1 844 . 1 1 73 73 ASP H H 1 9.342 0.02 . 1 . . . A 74 ASP H . 17421 1 845 . 1 1 73 73 ASP HA H 1 4.289 0.005 . 1 . . . A 74 ASP HA . 17421 1 846 . 1 1 73 73 ASP HB2 H 1 2.713 0.02 . 2 . . . A 74 ASP HB2 . 17421 1 847 . 1 1 73 73 ASP HB3 H 1 2.879 0.02 . 2 . . . A 74 ASP HB3 . 17421 1 848 . 1 1 73 73 ASP C C 13 176.149 0.15 . 1 . . . A 74 ASP C . 17421 1 849 . 1 1 73 73 ASP CA C 13 55.463 0.15 . 1 . . . A 74 ASP CA . 17421 1 850 . 1 1 73 73 ASP CB C 13 40.906 0.15 . 1 . . . A 74 ASP CB . 17421 1 851 . 1 1 73 73 ASP N N 15 123.965 0.15 . 1 . . . A 74 ASP N . 17421 1 852 . 1 1 74 74 GLY H H 1 8.677 0.004 . 1 . . . A 75 GLY H . 17421 1 853 . 1 1 74 74 GLY HA2 H 1 4.088 0.001 . 2 . . . A 75 GLY HA2 . 17421 1 854 . 1 1 74 74 GLY HA3 H 1 3.543 0.005 . 2 . . . A 75 GLY HA3 . 17421 1 855 . 1 1 74 74 GLY C C 13 172.739 0.15 . 1 . . . A 75 GLY C . 17421 1 856 . 1 1 74 74 GLY CA C 13 46.119 0.15 . 1 . . . A 75 GLY CA . 17421 1 857 . 1 1 74 74 GLY N N 15 104.367 0.15 . 1 . . . A 75 GLY N . 17421 1 858 . 1 1 75 75 ARG H H 1 7.803 0.016 . 1 . . . A 76 ARG H . 17421 1 859 . 1 1 75 75 ARG HA H 1 4.582 0.002 . 1 . . . A 76 ARG HA . 17421 1 860 . 1 1 75 75 ARG HB3 H 1 1.846 0.003 . 2 . . . A 76 ARG HB3 . 17421 1 861 . 1 1 75 75 ARG HG2 H 1 1.567 0.004 . 2 . . . A 76 ARG HG2 . 17421 1 862 . 1 1 75 75 ARG HG3 H 1 1.766 0.02 . 2 . . . A 76 ARG HG3 . 17421 1 863 . 1 1 75 75 ARG HD2 H 1 3.027 0.02 . 2 . . . A 76 ARG HD2 . 17421 1 864 . 1 1 75 75 ARG HD3 H 1 3.027 0.005 . 2 . . . A 76 ARG HD3 . 17421 1 865 . 1 1 75 75 ARG HE H 1 6.555 0.018 . 1 . . . A 76 ARG HE . 17421 1 866 . 1 1 75 75 ARG C C 13 173.147 0.15 . 1 . . . A 76 ARG C . 17421 1 867 . 1 1 75 75 ARG CA C 13 52.873 0.15 . 1 . . . A 76 ARG CA . 17421 1 868 . 1 1 75 75 ARG CB C 13 32.497 0.15 . 1 . . . A 76 ARG CB . 17421 1 869 . 1 1 75 75 ARG CG C 13 25.631 0.066 . 1 . . . A 76 ARG CG . 17421 1 870 . 1 1 75 75 ARG CD C 13 44.070 0.15 . 1 . . . A 76 ARG CD . 17421 1 871 . 1 1 75 75 ARG N N 15 118.157 0.15 . 1 . . . A 76 ARG N . 17421 1 872 . 1 1 75 75 ARG NE N 15 86.373 0.15 . 1 . . . A 76 ARG NE . 17421 1 873 . 1 1 76 76 TYR H H 1 8.382 0.001 . 1 . . . A 77 TYR H . 17421 1 874 . 1 1 76 76 TYR HA H 1 5.030 0.004 . 1 . . . A 77 TYR HA . 17421 1 875 . 1 1 76 76 TYR HB2 H 1 2.637 0.008 . 2 . . . A 77 TYR HB2 . 17421 1 876 . 1 1 76 76 TYR HB3 H 1 2.003 0.02 . 2 . . . A 77 TYR HB3 . 17421 1 877 . 1 1 76 76 TYR HD1 H 1 7.008 0.02 . 3 . . . A 77 TYR HD1 . 17421 1 878 . 1 1 76 76 TYR HD2 H 1 7.008 0.02 . 3 . . . A 77 TYR HD2 . 17421 1 879 . 1 1 76 76 TYR HE1 H 1 6.845 0.017 . 3 . . . A 77 TYR HE1 . 17421 1 880 . 1 1 76 76 TYR HE2 H 1 6.845 0.017 . 3 . . . A 77 TYR HE2 . 17421 1 881 . 1 1 76 76 TYR C C 13 173.565 0.15 . 1 . . . A 77 TYR C . 17421 1 882 . 1 1 76 76 TYR CA C 13 58.591 0.15 . 1 . . . A 77 TYR CA . 17421 1 883 . 1 1 76 76 TYR CB C 13 40.836 0.009 . 1 . . . A 77 TYR CB . 17421 1 884 . 1 1 76 76 TYR CD1 C 13 134.121 0.15 . 3 . . . A 77 TYR CD1 . 17421 1 885 . 1 1 76 76 TYR CE1 C 13 117.548 0.15 . 3 . . . A 77 TYR CE1 . 17421 1 886 . 1 1 76 76 TYR N N 15 118.108 0.15 . 1 . . . A 77 TYR N . 17421 1 887 . 1 1 77 77 ILE H H 1 8.963 0.003 . 1 . . . A 78 ILE H . 17421 1 888 . 1 1 77 77 ILE HA H 1 4.350 0.005 . 1 . . . A 78 ILE HA . 17421 1 889 . 1 1 77 77 ILE HB H 1 1.968 0.003 . 1 . . . A 78 ILE HB . 17421 1 890 . 1 1 77 77 ILE HG12 H 1 0.470 0.009 . 2 . . . A 78 ILE HG12 . 17421 1 891 . 1 1 77 77 ILE HG13 H 1 0.763 0.006 . 2 . . . A 78 ILE HG13 . 17421 1 892 . 1 1 77 77 ILE HG21 H 1 0.627 0.02 . 1 . . . A 78 ILE QG2 . 17421 1 893 . 1 1 77 77 ILE HG22 H 1 0.627 0.02 . 1 . . . A 78 ILE QG2 . 17421 1 894 . 1 1 77 77 ILE HG23 H 1 0.627 0.02 . 1 . . . A 78 ILE QG2 . 17421 1 895 . 1 1 77 77 ILE HD11 H 1 0.053 0.005 . 1 . . . A 78 ILE QD1 . 17421 1 896 . 1 1 77 77 ILE HD12 H 1 0.053 0.005 . 1 . . . A 78 ILE QD1 . 17421 1 897 . 1 1 77 77 ILE HD13 H 1 0.053 0.005 . 1 . . . A 78 ILE QD1 . 17421 1 898 . 1 1 77 77 ILE C C 13 174.268 0.15 . 1 . . . A 78 ILE C . 17421 1 899 . 1 1 77 77 ILE CA C 13 59.766 0.15 . 1 . . . A 78 ILE CA . 17421 1 900 . 1 1 77 77 ILE CB C 13 37.904 0.15 . 1 . . . A 78 ILE CB . 17421 1 901 . 1 1 77 77 ILE CG1 C 13 27.611 0.027 . 1 . . . A 78 ILE CG1 . 17421 1 902 . 1 1 77 77 ILE CG2 C 13 19.133 0.15 . 1 . . . A 78 ILE CG2 . 17421 1 903 . 1 1 77 77 ILE CD1 C 13 12.378 0.15 . 1 . . . A 78 ILE CD1 . 17421 1 904 . 1 1 77 77 ILE N N 15 121.133 0.15 . 1 . . . A 78 ILE N . 17421 1 905 . 1 1 78 78 TYR H H 1 9.527 0.015 . 1 . . . A 79 TYR H . 17421 1 906 . 1 1 78 78 TYR HA H 1 4.667 0.006 . 1 . . . A 79 TYR HA . 17421 1 907 . 1 1 78 78 TYR HB2 H 1 3.094 0.008 . 2 . . . A 79 TYR HB2 . 17421 1 908 . 1 1 78 78 TYR HB3 H 1 2.677 0.004 . 2 . . . A 79 TYR HB3 . 17421 1 909 . 1 1 78 78 TYR HD1 H 1 6.883 0.012 . 3 . . . A 79 TYR HD1 . 17421 1 910 . 1 1 78 78 TYR HD2 H 1 6.883 0.012 . 3 . . . A 79 TYR HD2 . 17421 1 911 . 1 1 78 78 TYR HE1 H 1 6.297 0.008 . 3 . . . A 79 TYR HE1 . 17421 1 912 . 1 1 78 78 TYR HE2 H 1 6.297 0.008 . 3 . . . A 79 TYR HE2 . 17421 1 913 . 1 1 78 78 TYR HH H 1 11.321 0.02 . 1 . . . A 79 TYR HH . 17421 1 914 . 1 1 78 78 TYR C C 13 174.326 0.15 . 1 . . . A 79 TYR C . 17421 1 915 . 1 1 78 78 TYR CA C 13 60.076 0.15 . 1 . . . A 79 TYR CA . 17421 1 916 . 1 1 78 78 TYR CB C 13 40.247 0.15 . 1 . . . A 79 TYR CB . 17421 1 917 . 1 1 78 78 TYR CD2 C 13 133.198 0.15 . 3 . . . A 79 TYR CD2 . 17421 1 918 . 1 1 78 78 TYR CE2 C 13 117.503 0.15 . 3 . . . A 79 TYR CE2 . 17421 1 919 . 1 1 78 78 TYR N N 15 125.785 0.15 . 1 . . . A 79 TYR N . 17421 1 920 . 1 1 79 79 TYR H H 1 9.182 0.006 . 1 . . . A 80 TYR H . 17421 1 921 . 1 1 79 79 TYR HA H 1 4.147 0.02 . 1 . . . A 80 TYR HA . 17421 1 922 . 1 1 79 79 TYR HB2 H 1 3.000 0.004 . 2 . . . A 80 TYR HB2 . 17421 1 923 . 1 1 79 79 TYR HB3 H 1 2.276 0.007 . 2 . . . A 80 TYR HB3 . 17421 1 924 . 1 1 79 79 TYR HD1 H 1 7.122 0.02 . 3 . . . A 80 TYR HD1 . 17421 1 925 . 1 1 79 79 TYR HD2 H 1 7.122 0.02 . 3 . . . A 80 TYR HD2 . 17421 1 926 . 1 1 79 79 TYR HE1 H 1 6.745 0.008 . 3 . . . A 80 TYR HE1 . 17421 1 927 . 1 1 79 79 TYR HE2 H 1 6.745 0.008 . 3 . . . A 80 TYR HE2 . 17421 1 928 . 1 1 79 79 TYR HH H 1 9.993 0.02 . 1 . . . A 80 TYR HH . 17421 1 929 . 1 1 79 79 TYR C C 13 174.388 0.15 . 1 . . . A 80 TYR C . 17421 1 930 . 1 1 79 79 TYR CA C 13 55.834 0.15 . 1 . . . A 80 TYR CA . 17421 1 931 . 1 1 79 79 TYR CB C 13 36.037 0.15 . 1 . . . A 80 TYR CB . 17421 1 932 . 1 1 79 79 TYR CD2 C 13 134.274 0.15 . 3 . . . A 80 TYR CD2 . 17421 1 933 . 1 1 79 79 TYR CE2 C 13 119.531 0.15 . 3 . . . A 80 TYR CE2 . 17421 1 934 . 1 1 79 79 TYR N N 15 123.693 0.15 . 1 . . . A 80 TYR N . 17421 1 935 . 1 1 80 80 LEU H H 1 9.048 0.011 . 1 . . . A 81 LEU H . 17421 1 936 . 1 1 80 80 LEU HA H 1 4.121 0.005 . 1 . . . A 81 LEU HA . 17421 1 937 . 1 1 80 80 LEU HB2 H 1 1.977 0.012 . 2 . . . A 81 LEU HB2 . 17421 1 938 . 1 1 80 80 LEU HB3 H 1 1.272 0.007 . 2 . . . A 81 LEU HB3 . 17421 1 939 . 1 1 80 80 LEU HG H 1 1.638 0.010 . 1 . . . A 81 LEU HG . 17421 1 940 . 1 1 80 80 LEU HD11 H 1 0.799 0.004 . 1 . . . A 81 LEU QD1 . 17421 1 941 . 1 1 80 80 LEU HD12 H 1 0.799 0.004 . 1 . . . A 81 LEU QD1 . 17421 1 942 . 1 1 80 80 LEU HD13 H 1 0.799 0.004 . 1 . . . A 81 LEU QD1 . 17421 1 943 . 1 1 80 80 LEU HD21 H 1 0.706 0.002 . 1 . . . A 81 LEU QD2 . 17421 1 944 . 1 1 80 80 LEU HD22 H 1 0.706 0.002 . 1 . . . A 81 LEU QD2 . 17421 1 945 . 1 1 80 80 LEU HD23 H 1 0.706 0.002 . 1 . . . A 81 LEU QD2 . 17421 1 946 . 1 1 80 80 LEU C C 13 175.215 0.15 . 1 . . . A 81 LEU C . 17421 1 947 . 1 1 80 80 LEU CA C 13 55.723 0.042 . 1 . . . A 81 LEU CA . 17421 1 948 . 1 1 80 80 LEU CB C 13 41.163 0.013 . 1 . . . A 81 LEU CB . 17421 1 949 . 1 1 80 80 LEU CG C 13 27.026 0.15 . 1 . . . A 81 LEU CG . 17421 1 950 . 1 1 80 80 LEU CD1 C 13 24.387 0.15 . 2 . . . A 81 LEU CD1 . 17421 1 951 . 1 1 80 80 LEU CD2 C 13 26.977 0.15 . 2 . . . A 81 LEU CD2 . 17421 1 952 . 1 1 80 80 LEU N N 15 123.890 0.15 . 1 . . . A 81 LEU N . 17421 1 953 . 1 1 81 81 ILE H H 1 8.145 0.008 . 1 . . . A 82 ILE H . 17421 1 954 . 1 1 81 81 ILE HA H 1 4.503 0.007 . 1 . . . A 82 ILE HA . 17421 1 955 . 1 1 81 81 ILE HB H 1 2.047 0.02 . 1 . . . A 82 ILE HB . 17421 1 956 . 1 1 81 81 ILE HG12 H 1 1.338 0.026 . 2 . . . A 82 ILE HG12 . 17421 1 957 . 1 1 81 81 ILE HG13 H 1 1.018 0.008 . 2 . . . A 82 ILE HG13 . 17421 1 958 . 1 1 81 81 ILE HG21 H 1 0.562 0.02 . 1 . . . A 82 ILE QG2 . 17421 1 959 . 1 1 81 81 ILE HG22 H 1 0.562 0.02 . 1 . . . A 82 ILE QG2 . 17421 1 960 . 1 1 81 81 ILE HG23 H 1 0.562 0.02 . 1 . . . A 82 ILE QG2 . 17421 1 961 . 1 1 81 81 ILE HD11 H 1 0.516 0.004 . 1 . . . A 82 ILE QD1 . 17421 1 962 . 1 1 81 81 ILE HD12 H 1 0.516 0.004 . 1 . . . A 82 ILE QD1 . 17421 1 963 . 1 1 81 81 ILE HD13 H 1 0.516 0.004 . 1 . . . A 82 ILE QD1 . 17421 1 964 . 1 1 81 81 ILE C C 13 177.012 0.15 . 1 . . . A 82 ILE C . 17421 1 965 . 1 1 81 81 ILE CA C 13 59.718 0.039 . 1 . . . A 82 ILE CA . 17421 1 966 . 1 1 81 81 ILE CB C 13 34.768 0.15 . 1 . . . A 82 ILE CB . 17421 1 967 . 1 1 81 81 ILE CG1 C 13 26.620 0.031 . 1 . . . A 82 ILE CG1 . 17421 1 968 . 1 1 81 81 ILE CG2 C 13 19.503 0.15 . 1 . . . A 82 ILE CG2 . 17421 1 969 . 1 1 81 81 ILE CD1 C 13 12.828 0.15 . 1 . . . A 82 ILE CD1 . 17421 1 970 . 1 1 81 81 ILE N N 15 127.272 0.15 . 1 . . . A 82 ILE N . 17421 1 971 . 1 1 82 82 THR H H 1 8.473 0.002 . 1 . . . A 83 THR H . 17421 1 972 . 1 1 82 82 THR HA H 1 4.251 0.004 . 1 . . . A 83 THR HA . 17421 1 973 . 1 1 82 82 THR HB H 1 4.437 0.011 . 1 . . . A 83 THR HB . 17421 1 974 . 1 1 82 82 THR HG1 H 1 5.069 0.02 . 1 . . . A 83 THR HG1 . 17421 1 975 . 1 1 82 82 THR HG21 H 1 1.219 0.007 . 1 . . . A 83 THR QG2 . 17421 1 976 . 1 1 82 82 THR HG22 H 1 1.219 0.007 . 1 . . . A 83 THR QG2 . 17421 1 977 . 1 1 82 82 THR HG23 H 1 1.219 0.007 . 1 . . . A 83 THR QG2 . 17421 1 978 . 1 1 82 82 THR C C 13 173.553 0.15 . 1 . . . A 83 THR C . 17421 1 979 . 1 1 82 82 THR CA C 13 62.584 0.15 . 1 . . . A 83 THR CA . 17421 1 980 . 1 1 82 82 THR CB C 13 69.702 0.15 . 1 . . . A 83 THR CB . 17421 1 981 . 1 1 82 82 THR CG2 C 13 23.839 0.15 . 1 . . . A 83 THR CG2 . 17421 1 982 . 1 1 82 82 THR N N 15 114.804 0.15 . 1 . . . A 83 THR N . 17421 1 983 . 1 1 83 83 LYS H H 1 7.612 0.02 . 1 . . . A 84 LYS H . 17421 1 984 . 1 1 83 83 LYS HA H 1 4.695 0.02 . 1 . . . A 84 LYS HA . 17421 1 985 . 1 1 83 83 LYS HB3 H 1 1.882 0.003 . 2 . . . A 84 LYS HB3 . 17421 1 986 . 1 1 83 83 LYS HG2 H 1 1.388 0.011 . 2 . . . A 84 LYS HG2 . 17421 1 987 . 1 1 83 83 LYS HG3 H 1 1.581 0.001 . 2 . . . A 84 LYS HG3 . 17421 1 988 . 1 1 83 83 LYS HE3 H 1 2.906 0.002 . 2 . . . A 84 LYS HE3 . 17421 1 989 . 1 1 83 83 LYS C C 13 175.292 0.15 . 1 . . . A 84 LYS C . 17421 1 990 . 1 1 83 83 LYS CA C 13 55.546 0.060 . 1 . . . A 84 LYS CA . 17421 1 991 . 1 1 83 83 LYS CB C 13 33.138 0.15 . 1 . . . A 84 LYS CB . 17421 1 992 . 1 1 83 83 LYS CG C 13 25.503 0.15 . 1 . . . A 84 LYS CG . 17421 1 993 . 1 1 83 83 LYS N N 15 113.902 0.15 . 1 . . . A 84 LYS N . 17421 1 994 . 1 1 84 84 LYS H H 1 9.348 0.008 . 1 . . . A 85 LYS H . 17421 1 995 . 1 1 84 84 LYS HA H 1 3.907 0.02 . 1 . . . A 85 LYS HA . 17421 1 996 . 1 1 84 84 LYS HB3 H 1 1.897 0.001 . 2 . . . A 85 LYS HB3 . 17421 1 997 . 1 1 84 84 LYS HG2 H 1 1.565 0.02 . 2 . . . A 85 LYS HG2 . 17421 1 998 . 1 1 84 84 LYS HG3 H 1 1.428 0.02 . 2 . . . A 85 LYS HG3 . 17421 1 999 . 1 1 84 84 LYS HD3 H 1 1.768 0.001 . 2 . . . A 85 LYS HD3 . 17421 1 1000 . 1 1 84 84 LYS HE3 H 1 3.054 0.02 . 2 . . . A 85 LYS HE3 . 17421 1 1001 . 1 1 84 84 LYS C C 13 176.026 0.15 . 1 . . . A 85 LYS C . 17421 1 1002 . 1 1 84 84 LYS CA C 13 60.435 0.136 . 1 . . . A 85 LYS CA . 17421 1 1003 . 1 1 84 84 LYS CB C 13 34.004 0.15 . 1 . . . A 85 LYS CB . 17421 1 1004 . 1 1 84 84 LYS CG C 13 25.358 0.15 . 1 . . . A 85 LYS CG . 17421 1 1005 . 1 1 84 84 LYS CD C 13 29.890 0.15 . 1 . . . A 85 LYS CD . 17421 1 1006 . 1 1 84 84 LYS CE C 13 41.736 0.15 . 1 . . . A 85 LYS CE . 17421 1 1007 . 1 1 84 84 LYS N N 15 119.963 0.15 . 1 . . . A 85 LYS N . 17421 1 1008 . 1 1 85 85 ARG H H 1 6.809 0.002 . 1 . . . A 86 ARG H . 17421 1 1009 . 1 1 85 85 ARG HA H 1 4.761 0.003 . 1 . . . A 86 ARG HA . 17421 1 1010 . 1 1 85 85 ARG HB2 H 1 1.703 0.02 . 2 . . . A 86 ARG HB2 . 17421 1 1011 . 1 1 85 85 ARG HB3 H 1 0.480 0.006 . 2 . . . A 86 ARG HB3 . 17421 1 1012 . 1 1 85 85 ARG HG2 H 1 1.366 0.005 . 2 . . . A 86 ARG HG2 . 17421 1 1013 . 1 1 85 85 ARG HG3 H 1 1.209 0.003 . 2 . . . A 86 ARG HG3 . 17421 1 1014 . 1 1 85 85 ARG HD2 H 1 3.154 0.02 . 2 . . . A 86 ARG HD2 . 17421 1 1015 . 1 1 85 85 ARG HD3 H 1 3.114 0.001 . 2 . . . A 86 ARG HD3 . 17421 1 1016 . 1 1 85 85 ARG C C 13 177.611 0.15 . 1 . . . A 86 ARG C . 17421 1 1017 . 1 1 85 85 ARG CA C 13 53.432 0.15 . 1 . . . A 86 ARG CA . 17421 1 1018 . 1 1 85 85 ARG CB C 13 33.183 0.15 . 1 . . . A 86 ARG CB . 17421 1 1019 . 1 1 85 85 ARG CG C 13 27.236 0.056 . 1 . . . A 86 ARG CG . 17421 1 1020 . 1 1 85 85 ARG CD C 13 43.260 0.15 . 1 . . . A 86 ARG CD . 17421 1 1021 . 1 1 85 85 ARG N N 15 112.136 0.15 . 1 . . . A 86 ARG N . 17421 1 1022 . 1 1 86 86 ALA H H 1 9.047 0.02 . 1 . . . A 87 ALA H . 17421 1 1023 . 1 1 86 86 ALA HA H 1 3.985 0.002 . 1 . . . A 87 ALA HA . 17421 1 1024 . 1 1 86 86 ALA HB1 H 1 1.522 0.001 . 1 . . . A 87 ALA QB . 17421 1 1025 . 1 1 86 86 ALA HB2 H 1 1.522 0.001 . 1 . . . A 87 ALA QB . 17421 1 1026 . 1 1 86 86 ALA HB3 H 1 1.522 0.001 . 1 . . . A 87 ALA QB . 17421 1 1027 . 1 1 86 86 ALA C C 13 177.818 0.15 . 1 . . . A 87 ALA C . 17421 1 1028 . 1 1 86 86 ALA CA C 13 55.786 0.15 . 1 . . . A 87 ALA CA . 17421 1 1029 . 1 1 86 86 ALA CB C 13 19.601 0.15 . 1 . . . A 87 ALA CB . 17421 1 1030 . 1 1 86 86 ALA N N 15 124.447 0.15 . 1 . . . A 87 ALA N . 17421 1 1031 . 1 1 87 87 SER H H 1 7.500 0.02 . 1 . . . A 88 SER H . 17421 1 1032 . 1 1 87 87 SER HA H 1 4.413 0.02 . 1 . . . A 88 SER HA . 17421 1 1033 . 1 1 87 87 SER HB2 H 1 4.137 0.02 . 2 . . . A 88 SER HB2 . 17421 1 1034 . 1 1 87 87 SER HB3 H 1 3.872 0.02 . 2 . . . A 88 SER HB3 . 17421 1 1035 . 1 1 87 87 SER C C 13 175.524 0.15 . 1 . . . A 88 SER C . 17421 1 1036 . 1 1 87 87 SER CA C 13 58.619 0.15 . 1 . . . A 88 SER CA . 17421 1 1037 . 1 1 87 87 SER CB C 13 63.673 0.15 . 1 . . . A 88 SER CB . 17421 1 1038 . 1 1 87 87 SER N N 15 107.120 0.15 . 1 . . . A 88 SER N . 17421 1 1039 . 1 1 88 88 HIS H H 1 7.656 0.02 . 1 . . . A 89 HIS H . 17421 1 1040 . 1 1 88 88 HIS HA H 1 4.862 0.02 . 1 . . . A 89 HIS HA . 17421 1 1041 . 1 1 88 88 HIS HB3 H 1 3.259 0.02 . 2 . . . A 89 HIS HB3 . 17421 1 1042 . 1 1 88 88 HIS HD2 H 1 6.931 0.02 . 1 . . . A 89 HIS HD2 . 17421 1 1043 . 1 1 88 88 HIS HE1 H 1 7.825 0.02 . 1 . . . A 89 HIS HE1 . 17421 1 1044 . 1 1 88 88 HIS C C 13 174.692 0.15 . 1 . . . A 89 HIS C . 17421 1 1045 . 1 1 88 88 HIS CA C 13 54.978 0.024 . 1 . . . A 89 HIS CA . 17421 1 1046 . 1 1 88 88 HIS CB C 13 33.260 0.15 . 1 . . . A 89 HIS CB . 17421 1 1047 . 1 1 88 88 HIS CD2 C 13 116.435 0.15 . 1 . . . A 89 HIS CD2 . 17421 1 1048 . 1 1 88 88 HIS CE1 C 13 138.792 0.15 . 1 . . . A 89 HIS CE1 . 17421 1 1049 . 1 1 88 88 HIS N N 15 122.255 0.15 . 1 . . . A 89 HIS N . 17421 1 1050 . 1 1 89 89 LYS H H 1 8.583 0.02 . 1 . . . A 90 LYS H . 17421 1 1051 . 1 1 89 89 LYS HA H 1 4.737 0.02 . 1 . . . A 90 LYS HA . 17421 1 1052 . 1 1 89 89 LYS C C 13 175.201 0.15 . 1 . . . A 90 LYS C . 17421 1 1053 . 1 1 89 89 LYS CA C 13 53.065 0.15 . 1 . . . A 90 LYS CA . 17421 1 1054 . 1 1 89 89 LYS CB C 13 32.944 0.15 . 1 . . . A 90 LYS CB . 17421 1 1055 . 1 1 89 89 LYS N N 15 120.511 0.15 . 1 . . . A 90 LYS N . 17421 1 1056 . 1 1 90 90 PRO HA H 1 4.731 0.001 . 1 . . . A 91 PRO HA . 17421 1 1057 . 1 1 90 90 PRO HB2 H 1 1.945 0.003 . 2 . . . A 91 PRO HB2 . 17421 1 1058 . 1 1 90 90 PRO HB3 H 1 2.316 0.002 . 2 . . . A 91 PRO HB3 . 17421 1 1059 . 1 1 90 90 PRO HG2 H 1 1.916 0.02 . 2 . . . A 91 PRO HG2 . 17421 1 1060 . 1 1 90 90 PRO HG3 H 1 2.275 0.02 . 2 . . . A 91 PRO HG3 . 17421 1 1061 . 1 1 90 90 PRO HD2 H 1 3.472 0.002 . 2 . . . A 91 PRO HD2 . 17421 1 1062 . 1 1 90 90 PRO HD3 H 1 3.857 0.02 . 2 . . . A 91 PRO HD3 . 17421 1 1063 . 1 1 90 90 PRO C C 13 175.691 0.15 . 1 . . . A 91 PRO C . 17421 1 1064 . 1 1 90 90 PRO CA C 13 62.734 0.15 . 1 . . . A 91 PRO CA . 17421 1 1065 . 1 1 90 90 PRO CB C 13 33.127 0.15 . 1 . . . A 91 PRO CB . 17421 1 1066 . 1 1 90 90 PRO CG C 13 26.977 0.15 . 1 . . . A 91 PRO CG . 17421 1 1067 . 1 1 90 90 PRO CD C 13 50.283 0.15 . 1 . . . A 91 PRO CD . 17421 1 1068 . 1 1 91 91 THR H H 1 8.010 0.02 . 1 . . . A 92 THR H . 17421 1 1069 . 1 1 91 91 THR HA H 1 4.774 0.02 . 1 . . . A 92 THR HA . 17421 1 1070 . 1 1 91 91 THR HB H 1 4.807 0.001 . 1 . . . A 92 THR HB . 17421 1 1071 . 1 1 91 91 THR HG1 H 1 5.344 0.02 . 1 . . . A 92 THR HG1 . 17421 1 1072 . 1 1 91 91 THR HG21 H 1 1.344 0.006 . 1 . . . A 92 THR QG2 . 17421 1 1073 . 1 1 91 91 THR HG22 H 1 1.344 0.006 . 1 . . . A 92 THR QG2 . 17421 1 1074 . 1 1 91 91 THR HG23 H 1 1.344 0.006 . 1 . . . A 92 THR QG2 . 17421 1 1075 . 1 1 91 91 THR C C 13 175.822 0.15 . 1 . . . A 92 THR C . 17421 1 1076 . 1 1 91 91 THR CA C 13 58.989 0.15 . 1 . . . A 92 THR CA . 17421 1 1077 . 1 1 91 91 THR CB C 13 71.370 0.061 . 1 . . . A 92 THR CB . 17421 1 1078 . 1 1 91 91 THR CG2 C 13 22.231 0.15 . 1 . . . A 92 THR CG2 . 17421 1 1079 . 1 1 91 91 THR N N 15 107.697 0.15 . 1 . . . A 92 THR N . 17421 1 1080 . 1 1 92 92 TYR H H 1 8.769 0.003 . 1 . . . A 93 TYR H . 17421 1 1081 . 1 1 92 92 TYR HA H 1 4.082 0.02 . 1 . . . A 93 TYR HA . 17421 1 1082 . 1 1 92 92 TYR HB2 H 1 2.870 0.006 . 2 . . . A 93 TYR HB2 . 17421 1 1083 . 1 1 92 92 TYR HB3 H 1 3.123 0.006 . 2 . . . A 93 TYR HB3 . 17421 1 1084 . 1 1 92 92 TYR HD1 H 1 7.266 0.013 . 3 . . . A 93 TYR HD1 . 17421 1 1085 . 1 1 92 92 TYR HD2 H 1 7.266 0.013 . 3 . . . A 93 TYR HD2 . 17421 1 1086 . 1 1 92 92 TYR HE1 H 1 6.894 0.004 . 3 . . . A 93 TYR HE1 . 17421 1 1087 . 1 1 92 92 TYR HE2 H 1 6.894 0.004 . 3 . . . A 93 TYR HE2 . 17421 1 1088 . 1 1 92 92 TYR C C 13 178.229 0.15 . 1 . . . A 93 TYR C . 17421 1 1089 . 1 1 92 92 TYR CA C 13 63.673 0.15 . 1 . . . A 93 TYR CA . 17421 1 1090 . 1 1 92 92 TYR CB C 13 37.694 0.005 . 1 . . . A 93 TYR CB . 17421 1 1091 . 1 1 92 92 TYR CD2 C 13 133.147 0.15 . 3 . . . A 93 TYR CD2 . 17421 1 1092 . 1 1 92 92 TYR CE2 C 13 119.150 0.15 . 3 . . . A 93 TYR CE2 . 17421 1 1093 . 1 1 92 92 TYR N N 15 121.129 0.15 . 1 . . . A 93 TYR N . 17421 1 1094 . 1 1 93 93 GLU H H 1 8.854 0.006 . 1 . . . A 94 GLU H . 17421 1 1095 . 1 1 93 93 GLU HA H 1 4.131 0.002 . 1 . . . A 94 GLU HA . 17421 1 1096 . 1 1 93 93 GLU HB2 H 1 1.922 0.005 . 2 . . . A 94 GLU HB2 . 17421 1 1097 . 1 1 93 93 GLU HB3 H 1 2.138 0.02 . 2 . . . A 94 GLU HB3 . 17421 1 1098 . 1 1 93 93 GLU HG3 H 1 2.333 0.004 . 2 . . . A 94 GLU HG3 . 17421 1 1099 . 1 1 93 93 GLU C C 13 179.080 0.15 . 1 . . . A 94 GLU C . 17421 1 1100 . 1 1 93 93 GLU CA C 13 60.639 0.15 . 1 . . . A 94 GLU CA . 17421 1 1101 . 1 1 93 93 GLU CB C 13 29.557 0.032 . 1 . . . A 94 GLU CB . 17421 1 1102 . 1 1 93 93 GLU CG C 13 37.126 0.15 . 1 . . . A 94 GLU CG . 17421 1 1103 . 1 1 93 93 GLU N N 15 118.436 0.15 . 1 . . . A 94 GLU N . 17421 1 1104 . 1 1 94 94 ASN H H 1 7.891 0.02 . 1 . . . A 95 ASN H . 17421 1 1105 . 1 1 94 94 ASN HA H 1 4.733 0.004 . 1 . . . A 95 ASN HA . 17421 1 1106 . 1 1 94 94 ASN HB2 H 1 3.017 0.02 . 2 . . . A 95 ASN HB2 . 17421 1 1107 . 1 1 94 94 ASN HB3 H 1 2.393 0.003 . 2 . . . A 95 ASN HB3 . 17421 1 1108 . 1 1 94 94 ASN HD21 H 1 6.969 0.02 . 2 . . . A 95 ASN HD21 . 17421 1 1109 . 1 1 94 94 ASN HD22 H 1 8.217 0.02 . 2 . . . A 95 ASN HD22 . 17421 1 1110 . 1 1 94 94 ASN C C 13 178.307 0.15 . 1 . . . A 95 ASN C . 17421 1 1111 . 1 1 94 94 ASN CA C 13 55.848 0.15 . 1 . . . A 95 ASN CA . 17421 1 1112 . 1 1 94 94 ASN CB C 13 38.127 0.007 . 1 . . . A 95 ASN CB . 17421 1 1113 . 1 1 94 94 ASN N N 15 117.554 0.15 . 1 . . . A 95 ASN N . 17421 1 1114 . 1 1 94 94 ASN ND2 N 15 112.637 0.15 . 1 . . . A 95 ASN ND2 . 17421 1 1115 . 1 1 95 95 LEU H H 1 8.001 0.009 . 1 . . . A 96 LEU H . 17421 1 1116 . 1 1 95 95 LEU HA H 1 4.134 0.002 . 1 . . . A 96 LEU HA . 17421 1 1117 . 1 1 95 95 LEU HB2 H 1 2.126 0.009 . 2 . . . A 96 LEU HB2 . 17421 1 1118 . 1 1 95 95 LEU HB3 H 1 1.339 0.02 . 2 . . . A 96 LEU HB3 . 17421 1 1119 . 1 1 95 95 LEU HG H 1 1.628 0.003 . 1 . . . A 96 LEU HG . 17421 1 1120 . 1 1 95 95 LEU HD11 H 1 0.841 0.013 . 1 . . . A 96 LEU QD1 . 17421 1 1121 . 1 1 95 95 LEU HD12 H 1 0.841 0.013 . 1 . . . A 96 LEU QD1 . 17421 1 1122 . 1 1 95 95 LEU HD13 H 1 0.841 0.013 . 1 . . . A 96 LEU QD1 . 17421 1 1123 . 1 1 95 95 LEU HD21 H 1 0.926 0.002 . 1 . . . A 96 LEU QD2 . 17421 1 1124 . 1 1 95 95 LEU HD22 H 1 0.926 0.002 . 1 . . . A 96 LEU QD2 . 17421 1 1125 . 1 1 95 95 LEU HD23 H 1 0.926 0.002 . 1 . . . A 96 LEU QD2 . 17421 1 1126 . 1 1 95 95 LEU C C 13 178.036 0.15 . 1 . . . A 96 LEU C . 17421 1 1127 . 1 1 95 95 LEU CA C 13 58.771 0.15 . 1 . . . A 96 LEU CA . 17421 1 1128 . 1 1 95 95 LEU CB C 13 41.528 0.025 . 1 . . . A 96 LEU CB . 17421 1 1129 . 1 1 95 95 LEU CG C 13 27.948 0.15 . 1 . . . A 96 LEU CG . 17421 1 1130 . 1 1 95 95 LEU CD1 C 13 23.766 0.15 . 2 . . . A 96 LEU CD1 . 17421 1 1131 . 1 1 95 95 LEU CD2 C 13 27.948 0.15 . 2 . . . A 96 LEU CD2 . 17421 1 1132 . 1 1 95 95 LEU N N 15 121.610 0.15 . 1 . . . A 96 LEU N . 17421 1 1133 . 1 1 96 96 GLN H H 1 8.811 0.02 . 1 . . . A 97 GLN H . 17421 1 1134 . 1 1 96 96 GLN HA H 1 3.746 0.02 . 1 . . . A 97 GLN HA . 17421 1 1135 . 1 1 96 96 GLN HB2 H 1 2.158 0.02 . 2 . . . A 97 GLN HB2 . 17421 1 1136 . 1 1 96 96 GLN HB3 H 1 2.496 0.009 . 2 . . . A 97 GLN HB3 . 17421 1 1137 . 1 1 96 96 GLN HG2 H 1 2.097 0.02 . 2 . . . A 97 GLN HG2 . 17421 1 1138 . 1 1 96 96 GLN HG3 H 1 2.348 0.02 . 2 . . . A 97 GLN HG3 . 17421 1 1139 . 1 1 96 96 GLN HE21 H 1 6.686 0.02 . 2 . . . A 97 GLN HE21 . 17421 1 1140 . 1 1 96 96 GLN HE22 H 1 7.448 0.005 . 2 . . . A 97 GLN HE22 . 17421 1 1141 . 1 1 96 96 GLN C C 13 178.171 0.15 . 1 . . . A 97 GLN C . 17421 1 1142 . 1 1 96 96 GLN CA C 13 61.427 0.15 . 1 . . . A 97 GLN CA . 17421 1 1143 . 1 1 96 96 GLN CB C 13 27.744 0.15 . 1 . . . A 97 GLN CB . 17421 1 1144 . 1 1 96 96 GLN CG C 13 33.455 1.842 . 1 . . . A 97 GLN CG . 17421 1 1145 . 1 1 96 96 GLN N N 15 120.377 0.15 . 1 . . . A 97 GLN N . 17421 1 1146 . 1 1 96 96 GLN NE2 N 15 110.961 0.15 . 1 . . . A 97 GLN NE2 . 17421 1 1147 . 1 1 97 97 LYS H H 1 7.781 0.02 . 1 . . . A 98 LYS H . 17421 1 1148 . 1 1 97 97 LYS HA H 1 4.035 0.006 . 1 . . . A 98 LYS HA . 17421 1 1149 . 1 1 97 97 LYS HB2 H 1 1.956 0.008 . 2 . . . A 98 LYS HB2 . 17421 1 1150 . 1 1 97 97 LYS HB3 H 1 2.317 0.004 . 2 . . . A 98 LYS HB3 . 17421 1 1151 . 1 1 97 97 LYS HG2 H 1 1.808 0.003 . 2 . . . A 98 LYS HG2 . 17421 1 1152 . 1 1 97 97 LYS HG3 H 1 1.577 0.002 . 2 . . . A 98 LYS HG3 . 17421 1 1153 . 1 1 97 97 LYS HD3 H 1 1.792 0.002 . 2 . . . A 98 LYS HD3 . 17421 1 1154 . 1 1 97 97 LYS HE3 H 1 3.028 0.004 . 2 . . . A 98 LYS HE3 . 17421 1 1155 . 1 1 97 97 LYS C C 13 179.878 0.15 . 1 . . . A 98 LYS C . 17421 1 1156 . 1 1 97 97 LYS CA C 13 60.612 0.15 . 1 . . . A 98 LYS CA . 17421 1 1157 . 1 1 97 97 LYS CB C 13 33.397 0.041 . 1 . . . A 98 LYS CB . 17421 1 1158 . 1 1 97 97 LYS CG C 13 26.439 0.046 . 1 . . . A 98 LYS CG . 17421 1 1159 . 1 1 97 97 LYS CD C 13 29.905 0.010 . 1 . . . A 98 LYS CD . 17421 1 1160 . 1 1 97 97 LYS CE C 13 42.557 0.15 . 1 . . . A 98 LYS CE . 17421 1 1161 . 1 1 97 97 LYS N N 15 118.053 0.15 . 1 . . . A 98 LYS N . 17421 1 1162 . 1 1 98 98 SER H H 1 8.283 0.002 . 1 . . . A 99 SER H . 17421 1 1163 . 1 1 98 98 SER HA H 1 3.733 0.005 . 1 . . . A 99 SER HA . 17421 1 1164 . 1 1 98 98 SER HB3 H 1 3.753 0.02 . 2 . . . A 99 SER HB3 . 17421 1 1165 . 1 1 98 98 SER C C 13 174.657 0.15 . 1 . . . A 99 SER C . 17421 1 1166 . 1 1 98 98 SER CA C 13 63.966 0.15 . 1 . . . A 99 SER CA . 17421 1 1167 . 1 1 98 98 SER CB C 13 63.148 0.15 . 1 . . . A 99 SER CB . 17421 1 1168 . 1 1 98 98 SER N N 15 118.524 0.15 . 1 . . . A 99 SER N . 17421 1 1169 . 1 1 99 99 LEU H H 1 8.467 0.015 . 1 . . . A 100 LEU H . 17421 1 1170 . 1 1 99 99 LEU HA H 1 3.865 0.02 . 1 . . . A 100 LEU HA . 17421 1 1171 . 1 1 99 99 LEU HB2 H 1 1.141 0.009 . 2 . . . A 100 LEU HB2 . 17421 1 1172 . 1 1 99 99 LEU HB3 H 1 2.299 0.007 . 2 . . . A 100 LEU HB3 . 17421 1 1173 . 1 1 99 99 LEU HG H 1 1.925 0.003 . 1 . . . A 100 LEU HG . 17421 1 1174 . 1 1 99 99 LEU HD11 H 1 0.735 0.02 . 1 . . . A 100 LEU QD1 . 17421 1 1175 . 1 1 99 99 LEU HD12 H 1 0.735 0.02 . 1 . . . A 100 LEU QD1 . 17421 1 1176 . 1 1 99 99 LEU HD13 H 1 0.735 0.02 . 1 . . . A 100 LEU QD1 . 17421 1 1177 . 1 1 99 99 LEU HD21 H 1 0.763 0.007 . 1 . . . A 100 LEU QD2 . 17421 1 1178 . 1 1 99 99 LEU HD22 H 1 0.763 0.007 . 1 . . . A 100 LEU QD2 . 17421 1 1179 . 1 1 99 99 LEU HD23 H 1 0.763 0.007 . 1 . . . A 100 LEU QD2 . 17421 1 1180 . 1 1 99 99 LEU C C 13 179.099 0.15 . 1 . . . A 100 LEU C . 17421 1 1181 . 1 1 99 99 LEU CA C 13 58.716 0.15 . 1 . . . A 100 LEU CA . 17421 1 1182 . 1 1 99 99 LEU CB C 13 43.432 0.001 . 1 . . . A 100 LEU CB . 17421 1 1183 . 1 1 99 99 LEU CG C 13 26.653 0.15 . 1 . . . A 100 LEU CG . 17421 1 1184 . 1 1 99 99 LEU CD1 C 13 27.271 0.15 . 2 . . . A 100 LEU CD1 . 17421 1 1185 . 1 1 99 99 LEU CD2 C 13 23.740 0.15 . 2 . . . A 100 LEU CD2 . 17421 1 1186 . 1 1 99 99 LEU N N 15 122.655 0.15 . 1 . . . A 100 LEU N . 17421 1 1187 . 1 1 100 100 GLU H H 1 8.430 0.005 . 1 . . . A 101 GLU H . 17421 1 1188 . 1 1 100 100 GLU HA H 1 3.634 0.011 . 1 . . . A 101 GLU HA . 17421 1 1189 . 1 1 100 100 GLU HB2 H 1 2.013 0.001 . 2 . . . A 101 GLU HB2 . 17421 1 1190 . 1 1 100 100 GLU HB3 H 1 2.231 0.005 . 2 . . . A 101 GLU HB3 . 17421 1 1191 . 1 1 100 100 GLU HG2 H 1 2.245 0.007 . 2 . . . A 101 GLU HG2 . 17421 1 1192 . 1 1 100 100 GLU HG3 H 1 2.451 0.005 . 2 . . . A 101 GLU HG3 . 17421 1 1193 . 1 1 100 100 GLU C C 13 179.273 0.15 . 1 . . . A 101 GLU C . 17421 1 1194 . 1 1 100 100 GLU CA C 13 59.789 0.15 . 1 . . . A 101 GLU CA . 17421 1 1195 . 1 1 100 100 GLU CB C 13 29.515 0.050 . 1 . . . A 101 GLU CB . 17421 1 1196 . 1 1 100 100 GLU CG C 13 36.673 0.007 . 1 . . . A 101 GLU CG . 17421 1 1197 . 1 1 100 100 GLU N N 15 120.163 0.15 . 1 . . . A 101 GLU N . 17421 1 1198 . 1 1 101 101 ALA H H 1 8.283 0.02 . 1 . . . A 102 ALA H . 17421 1 1199 . 1 1 101 101 ALA HA H 1 4.267 0.005 . 1 . . . A 102 ALA HA . 17421 1 1200 . 1 1 101 101 ALA HB1 H 1 1.682 0.007 . 1 . . . A 102 ALA QB . 17421 1 1201 . 1 1 101 101 ALA HB2 H 1 1.682 0.007 . 1 . . . A 102 ALA QB . 17421 1 1202 . 1 1 101 101 ALA HB3 H 1 1.682 0.007 . 1 . . . A 102 ALA QB . 17421 1 1203 . 1 1 101 101 ALA C C 13 181.205 0.15 . 1 . . . A 102 ALA C . 17421 1 1204 . 1 1 101 101 ALA CA C 13 55.518 0.15 . 1 . . . A 102 ALA CA . 17421 1 1205 . 1 1 101 101 ALA CB C 13 18.021 0.15 . 1 . . . A 102 ALA CB . 17421 1 1206 . 1 1 101 101 ALA N N 15 124.560 0.15 . 1 . . . A 102 ALA N . 17421 1 1207 . 1 1 102 102 MET H H 1 8.472 0.005 . 1 . . . A 103 MET H . 17421 1 1208 . 1 1 102 102 MET HA H 1 3.739 0.009 . 1 . . . A 103 MET HA . 17421 1 1209 . 1 1 102 102 MET HB2 H 1 2.460 0.02 . 2 . . . A 103 MET HB2 . 17421 1 1210 . 1 1 102 102 MET HB3 H 1 1.574 0.003 . 2 . . . A 103 MET HB3 . 17421 1 1211 . 1 1 102 102 MET HG2 H 1 1.781 0.017 . 2 . . . A 103 MET HG2 . 17421 1 1212 . 1 1 102 102 MET HG3 H 1 0.802 0.001 . 2 . . . A 103 MET HG3 . 17421 1 1213 . 1 1 102 102 MET HE1 H 1 1.796 0.003 . 1 . . . A 103 MET QE . 17421 1 1214 . 1 1 102 102 MET HE2 H 1 1.796 0.003 . 1 . . . A 103 MET QE . 17421 1 1215 . 1 1 102 102 MET HE3 H 1 1.796 0.003 . 1 . . . A 103 MET QE . 17421 1 1216 . 1 1 102 102 MET C C 13 176.779 0.15 . 1 . . . A 103 MET C . 17421 1 1217 . 1 1 102 102 MET CA C 13 60.077 0.15 . 1 . . . A 103 MET CA . 17421 1 1218 . 1 1 102 102 MET CB C 13 33.127 0.15 . 1 . . . A 103 MET CB . 17421 1 1219 . 1 1 102 102 MET CG C 13 29.897 0.102 . 1 . . . A 103 MET CG . 17421 1 1220 . 1 1 102 102 MET CE C 13 16.966 0.15 . 1 . . . A 103 MET CE . 17421 1 1221 . 1 1 102 102 MET N N 15 122.277 0.15 . 1 . . . A 103 MET N . 17421 1 1222 . 1 1 103 103 LYS H H 1 8.678 0.005 . 1 . . . A 104 LYS H . 17421 1 1223 . 1 1 103 103 LYS HA H 1 3.622 0.008 . 1 . . . A 104 LYS HA . 17421 1 1224 . 1 1 103 103 LYS HB2 H 1 0.983 0.001 . 2 . . . A 104 LYS HB2 . 17421 1 1225 . 1 1 103 103 LYS HB3 H 1 1.687 0.001 . 2 . . . A 104 LYS HB3 . 17421 1 1226 . 1 1 103 103 LYS HG2 H 1 0.913 0.02 . 2 . . . A 104 LYS HG2 . 17421 1 1227 . 1 1 103 103 LYS HG3 H 1 1.005 0.02 . 2 . . . A 104 LYS HG3 . 17421 1 1228 . 1 1 103 103 LYS HD2 H 1 1.213 0.005 . 2 . . . A 104 LYS HD2 . 17421 1 1229 . 1 1 103 103 LYS HD3 H 1 1.381 0.007 . 2 . . . A 104 LYS HD3 . 17421 1 1230 . 1 1 103 103 LYS HE2 H 1 2.712 0.010 . 2 . . . A 104 LYS HE2 . 17421 1 1231 . 1 1 103 103 LYS HE3 H 1 2.740 0.02 . 2 . . . A 104 LYS HE3 . 17421 1 1232 . 1 1 103 103 LYS C C 13 177.570 0.15 . 1 . . . A 104 LYS C . 17421 1 1233 . 1 1 103 103 LYS CA C 13 60.741 0.15 . 1 . . . A 104 LYS CA . 17421 1 1234 . 1 1 103 103 LYS CB C 13 30.888 0.003 . 1 . . . A 104 LYS CB . 17421 1 1235 . 1 1 103 103 LYS CG C 13 23.654 0.15 . 1 . . . A 104 LYS CG . 17421 1 1236 . 1 1 103 103 LYS CD C 13 29.600 0.005 . 1 . . . A 104 LYS CD . 17421 1 1237 . 1 1 103 103 LYS CE C 13 42.214 0.15 . 1 . . . A 104 LYS CE . 17421 1 1238 . 1 1 103 103 LYS N N 15 121.198 0.15 . 1 . . . A 104 LYS N . 17421 1 1239 . 1 1 104 104 SER H H 1 8.066 0.02 . 1 . . . A 105 SER H . 17421 1 1240 . 1 1 104 104 SER HA H 1 4.089 0.02 . 1 . . . A 105 SER HA . 17421 1 1241 . 1 1 104 104 SER HB3 H 1 4.019 0.010 . 2 . . . A 105 SER HB3 . 17421 1 1242 . 1 1 104 104 SER C C 13 176.722 0.15 . 1 . . . A 105 SER C . 17421 1 1243 . 1 1 104 104 SER CA C 13 62.016 0.15 . 1 . . . A 105 SER CA . 17421 1 1244 . 1 1 104 104 SER CB C 13 62.789 0.148 . 1 . . . A 105 SER CB . 17421 1 1245 . 1 1 104 104 SER N N 15 112.409 0.15 . 1 . . . A 105 SER N . 17421 1 1246 . 1 1 105 105 HIS H H 1 7.659 0.001 . 1 . . . A 106 HIS H . 17421 1 1247 . 1 1 105 105 HIS HA H 1 4.023 0.001 . 1 . . . A 106 HIS HA . 17421 1 1248 . 1 1 105 105 HIS HB2 H 1 3.178 0.02 . 2 . . . A 106 HIS HB2 . 17421 1 1249 . 1 1 105 105 HIS HB3 H 1 3.370 0.003 . 2 . . . A 106 HIS HB3 . 17421 1 1250 . 1 1 105 105 HIS HD2 H 1 7.168 0.02 . 1 . . . A 106 HIS HD2 . 17421 1 1251 . 1 1 105 105 HIS HE1 H 1 5.757 0.02 . 1 . . . A 106 HIS HE1 . 17421 1 1252 . 1 1 105 105 HIS C C 13 179.260 0.15 . 1 . . . A 106 HIS C . 17421 1 1253 . 1 1 105 105 HIS CA C 13 62.641 0.15 . 1 . . . A 106 HIS CA . 17421 1 1254 . 1 1 105 105 HIS CB C 13 30.921 0.014 . 1 . . . A 106 HIS CB . 17421 1 1255 . 1 1 105 105 HIS CD2 C 13 118.736 0.15 . 1 . . . A 106 HIS CD2 . 17421 1 1256 . 1 1 105 105 HIS CE1 C 13 138.065 0.15 . 1 . . . A 106 HIS CE1 . 17421 1 1257 . 1 1 105 105 HIS N N 15 121.929 0.15 . 1 . . . A 106 HIS N . 17421 1 1258 . 1 1 106 106 CYS H H 1 9.269 0.010 . 1 . . . A 107 CYS H . 17421 1 1259 . 1 1 106 106 CYS HA H 1 4.123 0.001 . 1 . . . A 107 CYS HA . 17421 1 1260 . 1 1 106 106 CYS HB2 H 1 2.963 0.005 . 2 . . . A 107 CYS HB2 . 17421 1 1261 . 1 1 106 106 CYS HB3 H 1 3.479 0.006 . 2 . . . A 107 CYS HB3 . 17421 1 1262 . 1 1 106 106 CYS HG H 1 2.236 0.02 . 1 . . . A 107 CYS HG . 17421 1 1263 . 1 1 106 106 CYS C C 13 178.345 0.15 . 1 . . . A 107 CYS C . 17421 1 1264 . 1 1 106 106 CYS CA C 13 64.148 0.15 . 1 . . . A 107 CYS CA . 17421 1 1265 . 1 1 106 106 CYS CB C 13 28.223 0.007 . 1 . . . A 107 CYS CB . 17421 1 1266 . 1 1 106 106 CYS N N 15 119.503 0.15 . 1 . . . A 107 CYS N . 17421 1 1267 . 1 1 107 107 LEU H H 1 8.315 0.02 . 1 . . . A 108 LEU H . 17421 1 1268 . 1 1 107 107 LEU HA H 1 4.259 0.02 . 1 . . . A 108 LEU HA . 17421 1 1269 . 1 1 107 107 LEU HB2 H 1 1.528 0.002 . 2 . . . A 108 LEU HB2 . 17421 1 1270 . 1 1 107 107 LEU HB3 H 1 1.912 0.003 . 2 . . . A 108 LEU HB3 . 17421 1 1271 . 1 1 107 107 LEU HG H 1 1.918 0.02 . 1 . . . A 108 LEU HG . 17421 1 1272 . 1 1 107 107 LEU HD11 H 1 0.897 0.02 . 1 . . . A 108 LEU QD1 . 17421 1 1273 . 1 1 107 107 LEU HD12 H 1 0.897 0.02 . 1 . . . A 108 LEU QD1 . 17421 1 1274 . 1 1 107 107 LEU HD13 H 1 0.897 0.02 . 1 . . . A 108 LEU QD1 . 17421 1 1275 . 1 1 107 107 LEU HD21 H 1 1.002 0.006 . 1 . . . A 108 LEU QD2 . 17421 1 1276 . 1 1 107 107 LEU HD22 H 1 1.002 0.006 . 1 . . . A 108 LEU QD2 . 17421 1 1277 . 1 1 107 107 LEU HD23 H 1 1.002 0.006 . 1 . . . A 108 LEU QD2 . 17421 1 1278 . 1 1 107 107 LEU C C 13 180.715 0.15 . 1 . . . A 108 LEU C . 17421 1 1279 . 1 1 107 107 LEU CA C 13 57.673 0.15 . 1 . . . A 108 LEU CA . 17421 1 1280 . 1 1 107 107 LEU CB C 13 42.243 0.057 . 1 . . . A 108 LEU CB . 17421 1 1281 . 1 1 107 107 LEU CG C 13 26.977 0.15 . 1 . . . A 108 LEU CG . 17421 1 1282 . 1 1 107 107 LEU CD1 C 13 26.422 0.15 . 2 . . . A 108 LEU CD1 . 17421 1 1283 . 1 1 107 107 LEU CD2 C 13 23.166 0.15 . 2 . . . A 108 LEU CD2 . 17421 1 1284 . 1 1 107 107 LEU N N 15 117.268 0.15 . 1 . . . A 108 LEU N . 17421 1 1285 . 1 1 108 108 LYS H H 1 7.672 0.007 . 1 . . . A 109 LYS H . 17421 1 1286 . 1 1 108 108 LYS HA H 1 4.156 0.02 . 1 . . . A 109 LYS HA . 17421 1 1287 . 1 1 108 108 LYS HB3 H 1 1.757 0.003 . 2 . . . A 109 LYS HB3 . 17421 1 1288 . 1 1 108 108 LYS HG2 H 1 1.504 0.001 . 2 . . . A 109 LYS HG2 . 17421 1 1289 . 1 1 108 108 LYS HG3 H 1 1.398 0.001 . 2 . . . A 109 LYS HG3 . 17421 1 1290 . 1 1 108 108 LYS HD2 H 1 1.775 0.02 . 2 . . . A 109 LYS HD2 . 17421 1 1291 . 1 1 108 108 LYS HD3 H 1 1.639 0.02 . 2 . . . A 109 LYS HD3 . 17421 1 1292 . 1 1 108 108 LYS HE3 H 1 3.007 0.02 . 2 . . . A 109 LYS HE3 . 17421 1 1293 . 1 1 108 108 LYS C C 13 177.650 0.15 . 1 . . . A 109 LYS C . 17421 1 1294 . 1 1 108 108 LYS CA C 13 58.626 0.15 . 1 . . . A 109 LYS CA . 17421 1 1295 . 1 1 108 108 LYS CB C 13 33.488 0.15 . 1 . . . A 109 LYS CB . 17421 1 1296 . 1 1 108 108 LYS CG C 13 25.408 0.066 . 1 . . . A 109 LYS CG . 17421 1 1297 . 1 1 108 108 LYS CD C 13 29.198 0.15 . 1 . . . A 109 LYS CD . 17421 1 1298 . 1 1 108 108 LYS CE C 13 42.077 0.15 . 1 . . . A 109 LYS CE . 17421 1 1299 . 1 1 108 108 LYS N N 15 118.795 0.15 . 1 . . . A 109 LYS N . 17421 1 1300 . 1 1 109 109 ASN H H 1 7.648 0.02 . 1 . . . A 110 ASN H . 17421 1 1301 . 1 1 109 109 ASN HA H 1 4.836 0.02 . 1 . . . A 110 ASN HA . 17421 1 1302 . 1 1 109 109 ASN HB2 H 1 2.083 0.005 . 2 . . . A 110 ASN HB2 . 17421 1 1303 . 1 1 109 109 ASN HB3 H 1 2.831 0.004 . 2 . . . A 110 ASN HB3 . 17421 1 1304 . 1 1 109 109 ASN HD21 H 1 6.313 0.003 . 2 . . . A 110 ASN HD21 . 17421 1 1305 . 1 1 109 109 ASN HD22 H 1 6.708 0.009 . 2 . . . A 110 ASN HD22 . 17421 1 1306 . 1 1 109 109 ASN C C 13 174.611 0.15 . 1 . . . A 110 ASN C . 17421 1 1307 . 1 1 109 109 ASN CA C 13 54.388 0.010 . 1 . . . A 110 ASN CA . 17421 1 1308 . 1 1 109 109 ASN CB C 13 40.247 0.001 . 1 . . . A 110 ASN CB . 17421 1 1309 . 1 1 109 109 ASN N N 15 113.384 0.15 . 1 . . . A 110 ASN N . 17421 1 1310 . 1 1 109 109 ASN ND2 N 15 115.337 0.15 . 1 . . . A 110 ASN ND2 . 17421 1 1311 . 1 1 110 110 GLY H H 1 7.665 0.02 . 1 . . . A 111 GLY H . 17421 1 1312 . 1 1 110 110 GLY HA3 H 1 4.036 0.001 . 2 . . . A 111 GLY HA3 . 17421 1 1313 . 1 1 110 110 GLY C C 13 176.549 0.15 . 1 . . . A 111 GLY C . 17421 1 1314 . 1 1 110 110 GLY CA C 13 47.553 0.15 . 1 . . . A 111 GLY CA . 17421 1 1315 . 1 1 110 110 GLY N N 15 109.296 0.15 . 1 . . . A 111 GLY N . 17421 1 1316 . 1 1 111 111 VAL H H 1 8.475 0.002 . 1 . . . A 112 VAL H . 17421 1 1317 . 1 1 111 111 VAL HA H 1 4.071 0.001 . 1 . . . A 112 VAL HA . 17421 1 1318 . 1 1 111 111 VAL HB H 1 2.074 0.005 . 1 . . . A 112 VAL HB . 17421 1 1319 . 1 1 111 111 VAL HG11 H 1 1.276 0.009 . 1 . . . A 112 VAL QG1 . 17421 1 1320 . 1 1 111 111 VAL HG12 H 1 1.276 0.009 . 1 . . . A 112 VAL QG1 . 17421 1 1321 . 1 1 111 111 VAL HG13 H 1 1.276 0.009 . 1 . . . A 112 VAL QG1 . 17421 1 1322 . 1 1 111 111 VAL HG21 H 1 1.419 0.002 . 1 . . . A 112 VAL QG2 . 17421 1 1323 . 1 1 111 111 VAL HG22 H 1 1.419 0.002 . 1 . . . A 112 VAL QG2 . 17421 1 1324 . 1 1 111 111 VAL HG23 H 1 1.419 0.002 . 1 . . . A 112 VAL QG2 . 17421 1 1325 . 1 1 111 111 VAL C C 13 176.142 0.15 . 1 . . . A 112 VAL C . 17421 1 1326 . 1 1 111 111 VAL CA C 13 64.145 0.004 . 1 . . . A 112 VAL CA . 17421 1 1327 . 1 1 111 111 VAL CB C 13 32.958 0.15 . 1 . . . A 112 VAL CB . 17421 1 1328 . 1 1 111 111 VAL CG1 C 13 22.247 0.15 . 2 . . . A 112 VAL CG1 . 17421 1 1329 . 1 1 111 111 VAL CG2 C 13 22.430 0.15 . 2 . . . A 112 VAL CG2 . 17421 1 1330 . 1 1 111 111 VAL N N 15 122.783 0.15 . 1 . . . A 112 VAL N . 17421 1 1331 . 1 1 112 112 THR H H 1 8.972 0.02 . 1 . . . A 113 THR H . 17421 1 1332 . 1 1 112 112 THR HA H 1 4.539 0.016 . 1 . . . A 113 THR HA . 17421 1 1333 . 1 1 112 112 THR HB H 1 4.515 0.02 . 1 . . . A 113 THR HB . 17421 1 1334 . 1 1 112 112 THR HG21 H 1 1.133 0.004 . 1 . . . A 113 THR QG2 . 17421 1 1335 . 1 1 112 112 THR HG22 H 1 1.133 0.004 . 1 . . . A 113 THR QG2 . 17421 1 1336 . 1 1 112 112 THR HG23 H 1 1.133 0.004 . 1 . . . A 113 THR QG2 . 17421 1 1337 . 1 1 112 112 THR C C 13 173.997 0.15 . 1 . . . A 113 THR C . 17421 1 1338 . 1 1 112 112 THR CA C 13 62.371 0.15 . 1 . . . A 113 THR CA . 17421 1 1339 . 1 1 112 112 THR CB C 13 70.885 0.15 . 1 . . . A 113 THR CB . 17421 1 1340 . 1 1 112 112 THR CG2 C 13 21.230 0.15 . 1 . . . A 113 THR CG2 . 17421 1 1341 . 1 1 112 112 THR N N 15 115.683 0.15 . 1 . . . A 113 THR N . 17421 1 1342 . 1 1 113 113 ASP H H 1 8.153 0.010 . 1 . . . A 114 ASP H . 17421 1 1343 . 1 1 113 113 ASP HA H 1 5.460 0.004 . 1 . . . A 114 ASP HA . 17421 1 1344 . 1 1 113 113 ASP HB2 H 1 2.508 0.017 . 2 . . . A 114 ASP HB2 . 17421 1 1345 . 1 1 113 113 ASP HB3 H 1 2.627 0.007 . 2 . . . A 114 ASP HB3 . 17421 1 1346 . 1 1 113 113 ASP C C 13 172.606 0.15 . 1 . . . A 114 ASP C . 17421 1 1347 . 1 1 113 113 ASP CA C 13 54.904 0.15 . 1 . . . A 114 ASP CA . 17421 1 1348 . 1 1 113 113 ASP CB C 13 43.842 0.036 . 1 . . . A 114 ASP CB . 17421 1 1349 . 1 1 113 113 ASP N N 15 124.248 0.15 . 1 . . . A 114 ASP N . 17421 1 1350 . 1 1 114 114 LEU H H 1 8.632 0.007 . 1 . . . A 115 LEU H . 17421 1 1351 . 1 1 114 114 LEU HA H 1 5.054 0.004 . 1 . . . A 115 LEU HA . 17421 1 1352 . 1 1 114 114 LEU HB2 H 1 1.187 0.006 . 2 . . . A 115 LEU HB2 . 17421 1 1353 . 1 1 114 114 LEU HB3 H 1 1.270 0.012 . 2 . . . A 115 LEU HB3 . 17421 1 1354 . 1 1 114 114 LEU HG H 1 1.248 0.010 . 1 . . . A 115 LEU HG . 17421 1 1355 . 1 1 114 114 LEU HD11 H 1 0.656 0.006 . 1 . . . A 115 LEU QD1 . 17421 1 1356 . 1 1 114 114 LEU HD12 H 1 0.656 0.006 . 1 . . . A 115 LEU QD1 . 17421 1 1357 . 1 1 114 114 LEU HD13 H 1 0.656 0.006 . 1 . . . A 115 LEU QD1 . 17421 1 1358 . 1 1 114 114 LEU HD21 H 1 0.686 0.009 . 1 . . . A 115 LEU QD2 . 17421 1 1359 . 1 1 114 114 LEU HD22 H 1 0.686 0.009 . 1 . . . A 115 LEU QD2 . 17421 1 1360 . 1 1 114 114 LEU HD23 H 1 0.686 0.009 . 1 . . . A 115 LEU QD2 . 17421 1 1361 . 1 1 114 114 LEU C C 13 176.044 0.15 . 1 . . . A 115 LEU C . 17421 1 1362 . 1 1 114 114 LEU CA C 13 53.242 0.15 . 1 . . . A 115 LEU CA . 17421 1 1363 . 1 1 114 114 LEU CB C 13 47.673 0.005 . 1 . . . A 115 LEU CB . 17421 1 1364 . 1 1 114 114 LEU CG C 13 27.394 0.15 . 1 . . . A 115 LEU CG . 17421 1 1365 . 1 1 114 114 LEU CD1 C 13 25.697 0.15 . 2 . . . A 115 LEU CD1 . 17421 1 1366 . 1 1 114 114 LEU CD2 C 13 25.035 0.15 . 2 . . . A 115 LEU CD2 . 17421 1 1367 . 1 1 114 114 LEU N N 15 125.040 0.15 . 1 . . . A 115 LEU N . 17421 1 1368 . 1 1 115 115 SER H H 1 9.560 0.005 . 1 . . . A 116 SER H . 17421 1 1369 . 1 1 115 115 SER HA H 1 6.126 0.02 . 1 . . . A 116 SER HA . 17421 1 1370 . 1 1 115 115 SER HB2 H 1 3.871 0.02 . 2 . . . A 116 SER HB2 . 17421 1 1371 . 1 1 115 115 SER HB3 H 1 3.819 0.007 . 2 . . . A 116 SER HB3 . 17421 1 1372 . 1 1 115 115 SER C C 13 172.161 0.15 . 1 . . . A 116 SER C . 17421 1 1373 . 1 1 115 115 SER CA C 13 58.781 0.15 . 1 . . . A 116 SER CA . 17421 1 1374 . 1 1 115 115 SER CB C 13 67.203 0.15 . 1 . . . A 116 SER CB . 17421 1 1375 . 1 1 115 115 SER N N 15 124.095 0.15 . 1 . . . A 116 SER N . 17421 1 1376 . 1 1 116 116 MET H H 1 8.990 0.02 . 1 . . . A 117 MET H . 17421 1 1377 . 1 1 116 116 MET HA H 1 5.241 0.02 . 1 . . . A 117 MET HA . 17421 1 1378 . 1 1 116 116 MET HB2 H 1 2.397 0.009 . 2 . . . A 117 MET HB2 . 17421 1 1379 . 1 1 116 116 MET HB3 H 1 2.277 0.003 . 2 . . . A 117 MET HB3 . 17421 1 1380 . 1 1 116 116 MET HG2 H 1 2.421 0.002 . 2 . . . A 117 MET HG2 . 17421 1 1381 . 1 1 116 116 MET HG3 H 1 2.862 0.009 . 2 . . . A 117 MET HG3 . 17421 1 1382 . 1 1 116 116 MET HE1 H 1 1.688 0.003 . 1 . . . A 117 MET QE . 17421 1 1383 . 1 1 116 116 MET HE2 H 1 1.688 0.003 . 1 . . . A 117 MET QE . 17421 1 1384 . 1 1 116 116 MET HE3 H 1 1.688 0.003 . 1 . . . A 117 MET QE . 17421 1 1385 . 1 1 116 116 MET C C 13 173.044 0.15 . 1 . . . A 117 MET C . 17421 1 1386 . 1 1 116 116 MET CA C 13 54.068 0.15 . 1 . . . A 117 MET CA . 17421 1 1387 . 1 1 116 116 MET CB C 13 35.135 0.15 . 1 . . . A 117 MET CB . 17421 1 1388 . 1 1 116 116 MET CG C 13 30.947 0.008 . 1 . . . A 117 MET CG . 17421 1 1389 . 1 1 116 116 MET CE C 13 16.318 0.15 . 1 . . . A 117 MET CE . 17421 1 1390 . 1 1 116 116 MET N N 15 118.280 0.15 . 1 . . . A 117 MET N . 17421 1 1391 . 1 1 117 117 PRO HA H 1 5.749 0.009 . 1 . . . A 118 PRO HA . 17421 1 1392 . 1 1 117 117 PRO HB2 H 1 2.506 0.011 . 2 . . . A 118 PRO HB2 . 17421 1 1393 . 1 1 117 117 PRO HB3 H 1 1.435 0.002 . 2 . . . A 118 PRO HB3 . 17421 1 1394 . 1 1 117 117 PRO HG2 H 1 2.002 0.02 . 2 . . . A 118 PRO HG2 . 17421 1 1395 . 1 1 117 117 PRO HG3 H 1 1.749 0.02 . 2 . . . A 118 PRO HG3 . 17421 1 1396 . 1 1 117 117 PRO HD2 H 1 3.692 0.011 . 2 . . . A 118 PRO HD2 . 17421 1 1397 . 1 1 117 117 PRO HD3 H 1 4.195 0.02 . 2 . . . A 118 PRO HD3 . 17421 1 1398 . 1 1 117 117 PRO C C 13 172.741 0.15 . 1 . . . A 118 PRO C . 17421 1 1399 . 1 1 117 117 PRO CA C 13 62.676 0.15 . 1 . . . A 118 PRO CA . 17421 1 1400 . 1 1 117 117 PRO CB C 13 33.775 0.15 . 1 . . . A 118 PRO CB . 17421 1 1401 . 1 1 117 117 PRO CG C 13 25.682 0.15 . 1 . . . A 118 PRO CG . 17421 1 1402 . 1 1 117 117 PRO CD C 13 48.689 0.190 . 1 . . . A 118 PRO CD . 17421 1 1403 . 1 1 118 118 ARG H H 1 8.618 0.02 . 1 . . . A 119 ARG H . 17421 1 1404 . 1 1 118 118 ARG HA H 1 4.036 0.006 . 1 . . . A 119 ARG HA . 17421 1 1405 . 1 1 118 118 ARG HB2 H 1 1.229 0.130 . 2 . . . A 119 ARG HB2 . 17421 1 1406 . 1 1 118 118 ARG HB3 H 1 1.636 0.02 . 2 . . . A 119 ARG HB3 . 17421 1 1407 . 1 1 118 118 ARG HG2 H 1 1.049 0.008 . 2 . . . A 119 ARG HG2 . 17421 1 1408 . 1 1 118 118 ARG HG3 H 1 -0.121 0.02 . 2 . . . A 119 ARG HG3 . 17421 1 1409 . 1 1 118 118 ARG HD2 H 1 2.715 0.001 . 2 . . . A 119 ARG HD2 . 17421 1 1410 . 1 1 118 118 ARG HD3 H 1 2.334 0.02 . 2 . . . A 119 ARG HD3 . 17421 1 1411 . 1 1 118 118 ARG HE H 1 6.937 0.02 . 1 . . . A 119 ARG HE . 17421 1 1412 . 1 1 118 118 ARG C C 13 175.917 0.15 . 1 . . . A 119 ARG C . 17421 1 1413 . 1 1 118 118 ARG CA C 13 56.204 0.15 . 1 . . . A 119 ARG CA . 17421 1 1414 . 1 1 118 118 ARG CB C 13 27.607 0.15 . 1 . . . A 119 ARG CB . 17421 1 1415 . 1 1 118 118 ARG CG C 13 28.173 0.15 . 1 . . . A 119 ARG CG . 17421 1 1416 . 1 1 118 118 ARG CD C 13 43.769 0.009 . 1 . . . A 119 ARG CD . 17421 1 1417 . 1 1 118 118 ARG N N 15 117.842 0.15 . 1 . . . A 119 ARG N . 17421 1 1418 . 1 1 118 118 ARG NE N 15 85.462 0.15 . 1 . . . A 119 ARG NE . 17421 1 1419 . 1 1 119 119 ILE H H 1 8.005 0.014 . 1 . . . A 120 ILE H . 17421 1 1420 . 1 1 119 119 ILE HA H 1 3.755 0.006 . 1 . . . A 120 ILE HA . 17421 1 1421 . 1 1 119 119 ILE HB H 1 1.913 0.003 . 1 . . . A 120 ILE HB . 17421 1 1422 . 1 1 119 119 ILE HG12 H 1 1.430 0.002 . 2 . . . A 120 ILE HG12 . 17421 1 1423 . 1 1 119 119 ILE HG13 H 1 2.374 0.008 . 2 . . . A 120 ILE HG13 . 17421 1 1424 . 1 1 119 119 ILE HG21 H 1 1.224 0.005 . 1 . . . A 120 ILE QG2 . 17421 1 1425 . 1 1 119 119 ILE HG22 H 1 1.224 0.005 . 1 . . . A 120 ILE QG2 . 17421 1 1426 . 1 1 119 119 ILE HG23 H 1 1.224 0.005 . 1 . . . A 120 ILE QG2 . 17421 1 1427 . 1 1 119 119 ILE HD11 H 1 0.767 0.006 . 1 . . . A 120 ILE QD1 . 17421 1 1428 . 1 1 119 119 ILE HD12 H 1 0.767 0.006 . 1 . . . A 120 ILE QD1 . 17421 1 1429 . 1 1 119 119 ILE HD13 H 1 0.767 0.006 . 1 . . . A 120 ILE QD1 . 17421 1 1430 . 1 1 119 119 ILE C C 13 174.731 0.15 . 1 . . . A 120 ILE C . 17421 1 1431 . 1 1 119 119 ILE CA C 13 63.555 0.15 . 1 . . . A 120 ILE CA . 17421 1 1432 . 1 1 119 119 ILE CB C 13 40.310 0.017 . 1 . . . A 120 ILE CB . 17421 1 1433 . 1 1 119 119 ILE CG1 C 13 24.711 0.15 . 1 . . . A 120 ILE CG1 . 17421 1 1434 . 1 1 119 119 ILE CG2 C 13 21.046 0.015 . 1 . . . A 120 ILE CG2 . 17421 1 1435 . 1 1 119 119 ILE CD1 C 13 16.000 0.15 . 1 . . . A 120 ILE CD1 . 17421 1 1436 . 1 1 119 119 ILE N N 15 119.240 0.15 . 1 . . . A 120 ILE N . 17421 1 1437 . 1 1 120 120 GLY H H 1 9.747 0.02 . 1 . . . A 121 GLY H . 17421 1 1438 . 1 1 120 120 GLY HA2 H 1 4.082 0.065 . 2 . . . A 121 GLY HA2 . 17421 1 1439 . 1 1 120 120 GLY HA3 H 1 3.753 0.001 . 2 . . . A 121 GLY HA3 . 17421 1 1440 . 1 1 120 120 GLY C C 13 174.403 0.15 . 1 . . . A 121 GLY C . 17421 1 1441 . 1 1 120 120 GLY CA C 13 46.317 0.100 . 1 . . . A 121 GLY CA . 17421 1 1442 . 1 1 120 120 GLY N N 15 111.068 0.15 . 1 . . . A 121 GLY N . 17421 1 1443 . 1 1 121 121 CYS H H 1 7.479 0.02 . 1 . . . A 122 CYS H . 17421 1 1444 . 1 1 121 121 CYS HA H 1 4.838 0.02 . 1 . . . A 122 CYS HA . 17421 1 1445 . 1 1 121 121 CYS HB2 H 1 2.872 0.02 . 2 . . . A 122 CYS HB2 . 17421 1 1446 . 1 1 121 121 CYS HB3 H 1 3.219 0.005 . 2 . . . A 122 CYS HB3 . 17421 1 1447 . 1 1 121 121 CYS HG H 1 3.416 0.02 . 1 . . . A 122 CYS HG . 17421 1 1448 . 1 1 121 121 CYS C C 13 175.844 0.15 . 1 . . . A 122 CYS C . 17421 1 1449 . 1 1 121 121 CYS CA C 13 60.318 0.15 . 1 . . . A 122 CYS CA . 17421 1 1450 . 1 1 121 121 CYS CB C 13 28.919 0.15 . 1 . . . A 122 CYS CB . 17421 1 1451 . 1 1 121 121 CYS N N 15 113.497 0.15 . 1 . . . A 122 CYS N . 17421 1 1452 . 1 1 122 122 GLY H H 1 9.764 0.02 . 1 . . . A 123 GLY H . 17421 1 1453 . 1 1 122 122 GLY HA2 H 1 4.543 0.02 . 2 . . . A 123 GLY HA2 . 17421 1 1454 . 1 1 122 122 GLY HA3 H 1 4.346 0.02 . 2 . . . A 123 GLY HA3 . 17421 1 1455 . 1 1 122 122 GLY C C 13 175.944 0.15 . 1 . . . A 123 GLY C . 17421 1 1456 . 1 1 122 122 GLY CA C 13 45.104 0.15 . 1 . . . A 123 GLY CA . 17421 1 1457 . 1 1 122 122 GLY N N 15 115.169 0.15 . 1 . . . A 123 GLY N . 17421 1 1458 . 1 1 123 123 LEU H H 1 10.702 0.005 . 1 . . . A 124 LEU H . 17421 1 1459 . 1 1 123 123 LEU HA H 1 4.099 0.003 . 1 . . . A 124 LEU HA . 17421 1 1460 . 1 1 123 123 LEU HB2 H 1 2.262 0.003 . 2 . . . A 124 LEU HB2 . 17421 1 1461 . 1 1 123 123 LEU HB3 H 1 1.424 0.005 . 2 . . . A 124 LEU HB3 . 17421 1 1462 . 1 1 123 123 LEU HG H 1 2.087 0.007 . 1 . . . A 124 LEU HG . 17421 1 1463 . 1 1 123 123 LEU HD11 H 1 1.127 0.008 . 1 . . . A 124 LEU QD1 . 17421 1 1464 . 1 1 123 123 LEU HD12 H 1 1.127 0.008 . 1 . . . A 124 LEU QD1 . 17421 1 1465 . 1 1 123 123 LEU HD13 H 1 1.127 0.008 . 1 . . . A 124 LEU QD1 . 17421 1 1466 . 1 1 123 123 LEU HD21 H 1 0.995 0.015 . 1 . . . A 124 LEU QD2 . 17421 1 1467 . 1 1 123 123 LEU HD22 H 1 0.995 0.015 . 1 . . . A 124 LEU QD2 . 17421 1 1468 . 1 1 123 123 LEU HD23 H 1 0.995 0.015 . 1 . . . A 124 LEU QD2 . 17421 1 1469 . 1 1 123 123 LEU C C 13 179.368 0.15 . 1 . . . A 124 LEU C . 17421 1 1470 . 1 1 123 123 LEU CA C 13 58.063 0.005 . 1 . . . A 124 LEU CA . 17421 1 1471 . 1 1 123 123 LEU CB C 13 41.241 0.010 . 1 . . . A 124 LEU CB . 17421 1 1472 . 1 1 123 123 LEU CG C 13 27.850 0.15 . 1 . . . A 124 LEU CG . 17421 1 1473 . 1 1 123 123 LEU CD1 C 13 26.231 0.15 . 2 . . . A 124 LEU CD1 . 17421 1 1474 . 1 1 123 123 LEU CD2 C 13 22.769 0.15 . 2 . . . A 124 LEU CD2 . 17421 1 1475 . 1 1 123 123 LEU N N 15 136.737 0.15 . 1 . . . A 124 LEU N . 17421 1 1476 . 1 1 124 124 ASP H H 1 8.600 0.02 . 1 . . . A 125 ASP H . 17421 1 1477 . 1 1 124 124 ASP HA H 1 5.116 0.02 . 1 . . . A 125 ASP HA . 17421 1 1478 . 1 1 124 124 ASP HB2 H 1 2.714 0.02 . 2 . . . A 125 ASP HB2 . 17421 1 1479 . 1 1 124 124 ASP HB3 H 1 2.654 0.004 . 2 . . . A 125 ASP HB3 . 17421 1 1480 . 1 1 124 124 ASP C C 13 176.877 0.15 . 1 . . . A 125 ASP C . 17421 1 1481 . 1 1 124 124 ASP CA C 13 55.463 0.15 . 1 . . . A 125 ASP CA . 17421 1 1482 . 1 1 124 124 ASP CB C 13 40.896 0.15 . 1 . . . A 125 ASP CB . 17421 1 1483 . 1 1 124 124 ASP N N 15 118.543 0.15 . 1 . . . A 125 ASP N . 17421 1 1484 . 1 1 125 125 ARG H H 1 7.390 0.004 . 1 . . . A 126 ARG H . 17421 1 1485 . 1 1 125 125 ARG HA H 1 3.861 0.005 . 1 . . . A 126 ARG HA . 17421 1 1486 . 1 1 125 125 ARG HB2 H 1 2.218 0.004 . 2 . . . A 126 ARG HB2 . 17421 1 1487 . 1 1 125 125 ARG HB3 H 1 1.927 0.007 . 2 . . . A 126 ARG HB3 . 17421 1 1488 . 1 1 125 125 ARG HG3 H 1 1.739 0.002 . 2 . . . A 126 ARG HG3 . 17421 1 1489 . 1 1 125 125 ARG HD2 H 1 3.273 0.011 . 2 . . . A 126 ARG HD2 . 17421 1 1490 . 1 1 125 125 ARG HD3 H 1 3.296 0.02 . 2 . . . A 126 ARG HD3 . 17421 1 1491 . 1 1 125 125 ARG C C 13 176.065 0.15 . 1 . . . A 126 ARG C . 17421 1 1492 . 1 1 125 125 ARG CA C 13 58.329 0.15 . 1 . . . A 126 ARG CA . 17421 1 1493 . 1 1 125 125 ARG CB C 13 28.272 0.15 . 1 . . . A 126 ARG CB . 17421 1 1494 . 1 1 125 125 ARG CG C 13 27.300 0.15 . 1 . . . A 126 ARG CG . 17421 1 1495 . 1 1 125 125 ARG CD C 13 43.861 0.15 . 1 . . . A 126 ARG CD . 17421 1 1496 . 1 1 125 125 ARG N N 15 107.033 0.15 . 1 . . . A 126 ARG N . 17421 1 1497 . 1 1 126 126 LEU H H 1 9.099 0.012 . 1 . . . A 127 LEU H . 17421 1 1498 . 1 1 126 126 LEU HA H 1 4.499 0.011 . 1 . . . A 127 LEU HA . 17421 1 1499 . 1 1 126 126 LEU HB2 H 1 1.892 0.008 . 2 . . . A 127 LEU HB2 . 17421 1 1500 . 1 1 126 126 LEU HB3 H 1 1.213 0.005 . 2 . . . A 127 LEU HB3 . 17421 1 1501 . 1 1 126 126 LEU HG H 1 1.643 0.010 . 1 . . . A 127 LEU HG . 17421 1 1502 . 1 1 126 126 LEU HD11 H 1 0.231 0.004 . 1 . . . A 127 LEU QD1 . 17421 1 1503 . 1 1 126 126 LEU HD12 H 1 0.231 0.004 . 1 . . . A 127 LEU QD1 . 17421 1 1504 . 1 1 126 126 LEU HD13 H 1 0.231 0.004 . 1 . . . A 127 LEU QD1 . 17421 1 1505 . 1 1 126 126 LEU HD21 H 1 0.474 0.02 . 1 . . . A 127 LEU QD2 . 17421 1 1506 . 1 1 126 126 LEU HD22 H 1 0.474 0.02 . 1 . . . A 127 LEU QD2 . 17421 1 1507 . 1 1 126 126 LEU HD23 H 1 0.474 0.02 . 1 . . . A 127 LEU QD2 . 17421 1 1508 . 1 1 126 126 LEU C C 13 175.427 0.15 . 1 . . . A 127 LEU C . 17421 1 1509 . 1 1 126 126 LEU CA C 13 55.090 0.15 . 1 . . . A 127 LEU CA . 17421 1 1510 . 1 1 126 126 LEU CB C 13 40.250 0.037 . 1 . . . A 127 LEU CB . 17421 1 1511 . 1 1 126 126 LEU CG C 13 26.230 0.15 . 1 . . . A 127 LEU CG . 17421 1 1512 . 1 1 126 126 LEU CD1 C 13 19.978 0.15 . 2 . . . A 127 LEU CD1 . 17421 1 1513 . 1 1 126 126 LEU CD2 C 13 26.006 0.15 . 2 . . . A 127 LEU CD2 . 17421 1 1514 . 1 1 126 126 LEU N N 15 119.893 0.15 . 1 . . . A 127 LEU N . 17421 1 1515 . 1 1 127 127 GLN H H 1 7.650 0.005 . 1 . . . A 128 GLN H . 17421 1 1516 . 1 1 127 127 GLN HA H 1 4.842 0.02 . 1 . . . A 128 GLN HA . 17421 1 1517 . 1 1 127 127 GLN HB2 H 1 2.202 0.008 . 2 . . . A 128 GLN HB2 . 17421 1 1518 . 1 1 127 127 GLN HB3 H 1 2.373 0.02 . 2 . . . A 128 GLN HB3 . 17421 1 1519 . 1 1 127 127 GLN HG3 H 1 2.581 0.02 . 2 . . . A 128 GLN HG3 . 17421 1 1520 . 1 1 127 127 GLN HE21 H 1 6.967 0.006 . 2 . . . A 128 GLN HE21 . 17421 1 1521 . 1 1 127 127 GLN HE22 H 1 7.726 0.009 . 2 . . . A 128 GLN HE22 . 17421 1 1522 . 1 1 127 127 GLN C C 13 177.920 0.15 . 1 . . . A 128 GLN C . 17421 1 1523 . 1 1 127 127 GLN CA C 13 55.002 0.15 . 1 . . . A 128 GLN CA . 17421 1 1524 . 1 1 127 127 GLN CB C 13 30.603 0.061 . 1 . . . A 128 GLN CB . 17421 1 1525 . 1 1 127 127 GLN CG C 13 34.473 0.15 . 1 . . . A 128 GLN CG . 17421 1 1526 . 1 1 127 127 GLN N N 15 115.646 0.15 . 1 . . . A 128 GLN N . 17421 1 1527 . 1 1 127 127 GLN NE2 N 15 113.016 0.15 . 1 . . . A 128 GLN NE2 . 17421 1 1528 . 1 1 128 128 TRP H H 1 9.852 0.02 . 1 . . . A 129 TRP H . 17421 1 1529 . 1 1 128 128 TRP HA H 1 4.780 0.008 . 1 . . . A 129 TRP HA . 17421 1 1530 . 1 1 128 128 TRP HB2 H 1 3.254 0.004 . 2 . . . A 129 TRP HB2 . 17421 1 1531 . 1 1 128 128 TRP HB3 H 1 3.596 0.003 . 2 . . . A 129 TRP HB3 . 17421 1 1532 . 1 1 128 128 TRP HD1 H 1 7.219 0.007 . 1 . . . A 129 TRP HD1 . 17421 1 1533 . 1 1 128 128 TRP HE1 H 1 10.323 0.02 . 1 . . . A 129 TRP HE1 . 17421 1 1534 . 1 1 128 128 TRP HE3 H 1 8.357 0.001 . 1 . . . A 129 TRP HE3 . 17421 1 1535 . 1 1 128 128 TRP HZ2 H 1 7.639 0.009 . 1 . . . A 129 TRP HZ2 . 17421 1 1536 . 1 1 128 128 TRP HZ3 H 1 7.281 0.02 . 1 . . . A 129 TRP HZ3 . 17421 1 1537 . 1 1 128 128 TRP HH2 H 1 7.020 0.004 . 1 . . . A 129 TRP HH2 . 17421 1 1538 . 1 1 128 128 TRP C C 13 177.562 0.15 . 1 . . . A 129 TRP C . 17421 1 1539 . 1 1 128 128 TRP CA C 13 60.801 0.15 . 1 . . . A 129 TRP CA . 17421 1 1540 . 1 1 128 128 TRP CB C 13 30.214 0.15 . 1 . . . A 129 TRP CB . 17421 1 1541 . 1 1 128 128 TRP CD1 C 13 127.762 0.15 . 1 . . . A 129 TRP CD1 . 17421 1 1542 . 1 1 128 128 TRP CE3 C 13 122.727 0.15 . 1 . . . A 129 TRP CE3 . 17421 1 1543 . 1 1 128 128 TRP CZ2 C 13 114.585 0.15 . 1 . . . A 129 TRP CZ2 . 17421 1 1544 . 1 1 128 128 TRP CZ3 C 13 122.727 0.15 . 1 . . . A 129 TRP CZ3 . 17421 1 1545 . 1 1 128 128 TRP CH2 C 13 124.799 0.15 . 1 . . . A 129 TRP CH2 . 17421 1 1546 . 1 1 128 128 TRP N N 15 129.995 0.15 . 1 . . . A 129 TRP N . 17421 1 1547 . 1 1 128 128 TRP NE1 N 15 128.231 0.15 . 1 . . . A 129 TRP NE1 . 17421 1 1548 . 1 1 129 129 GLU H H 1 10.019 0.016 . 1 . . . A 130 GLU H . 17421 1 1549 . 1 1 129 129 GLU HA H 1 3.811 0.003 . 1 . . . A 130 GLU HA . 17421 1 1550 . 1 1 129 129 GLU HB3 H 1 1.992 0.006 . 2 . . . A 130 GLU HB3 . 17421 1 1551 . 1 1 129 129 GLU HG2 H 1 2.351 0.006 . 2 . . . A 130 GLU HG2 . 17421 1 1552 . 1 1 129 129 GLU HG3 H 1 2.415 0.02 . 2 . . . A 130 GLU HG3 . 17421 1 1553 . 1 1 129 129 GLU C C 13 177.913 0.15 . 1 . . . A 130 GLU C . 17421 1 1554 . 1 1 129 129 GLU CA C 13 61.025 0.15 . 1 . . . A 130 GLU CA . 17421 1 1555 . 1 1 129 129 GLU CB C 13 29.060 0.15 . 1 . . . A 130 GLU CB . 17421 1 1556 . 1 1 129 129 GLU CG C 13 36.977 0.15 . 1 . . . A 130 GLU CG . 17421 1 1557 . 1 1 129 129 GLU N N 15 120.727 0.15 . 1 . . . A 130 GLU N . 17421 1 1558 . 1 1 130 130 ASN H H 1 7.159 0.009 . 1 . . . A 131 ASN H . 17421 1 1559 . 1 1 130 130 ASN HA H 1 4.486 0.007 . 1 . . . A 131 ASN HA . 17421 1 1560 . 1 1 130 130 ASN HB2 H 1 2.372 0.007 . 2 . . . A 131 ASN HB2 . 17421 1 1561 . 1 1 130 130 ASN HB3 H 1 2.964 0.001 . 2 . . . A 131 ASN HB3 . 17421 1 1562 . 1 1 130 130 ASN HD21 H 1 6.674 0.02 . 2 . . . A 131 ASN HD21 . 17421 1 1563 . 1 1 130 130 ASN HD22 H 1 6.862 0.02 . 2 . . . A 131 ASN HD22 . 17421 1 1564 . 1 1 130 130 ASN C C 13 177.364 0.15 . 1 . . . A 131 ASN C . 17421 1 1565 . 1 1 130 130 ASN CA C 13 55.463 0.15 . 1 . . . A 131 ASN CA . 17421 1 1566 . 1 1 130 130 ASN CB C 13 38.969 0.001 . 1 . . . A 131 ASN CB . 17421 1 1567 . 1 1 130 130 ASN N N 15 115.063 0.15 . 1 . . . A 131 ASN N . 17421 1 1568 . 1 1 130 130 ASN ND2 N 15 110.453 0.014 . 1 . . . A 131 ASN ND2 . 17421 1 1569 . 1 1 131 131 VAL H H 1 8.035 0.006 . 1 . . . A 132 VAL H . 17421 1 1570 . 1 1 131 131 VAL HA H 1 3.525 0.006 . 1 . . . A 132 VAL HA . 17421 1 1571 . 1 1 131 131 VAL HB H 1 1.713 0.002 . 1 . . . A 132 VAL HB . 17421 1 1572 . 1 1 131 131 VAL HG11 H 1 1.098 0.006 . 1 . . . A 132 VAL QG1 . 17421 1 1573 . 1 1 131 131 VAL HG12 H 1 1.098 0.006 . 1 . . . A 132 VAL QG1 . 17421 1 1574 . 1 1 131 131 VAL HG13 H 1 1.098 0.006 . 1 . . . A 132 VAL QG1 . 17421 1 1575 . 1 1 131 131 VAL HG21 H 1 0.985 0.005 . 1 . . . A 132 VAL QG2 . 17421 1 1576 . 1 1 131 131 VAL HG22 H 1 0.985 0.005 . 1 . . . A 132 VAL QG2 . 17421 1 1577 . 1 1 131 131 VAL HG23 H 1 0.985 0.005 . 1 . . . A 132 VAL QG2 . 17421 1 1578 . 1 1 131 131 VAL C C 13 177.286 0.15 . 1 . . . A 132 VAL C . 17421 1 1579 . 1 1 131 131 VAL CA C 13 67.739 0.15 . 1 . . . A 132 VAL CA . 17421 1 1580 . 1 1 131 131 VAL CB C 13 32.186 0.15 . 1 . . . A 132 VAL CB . 17421 1 1581 . 1 1 131 131 VAL CG1 C 13 24.487 0.15 . 2 . . . A 132 VAL CG1 . 17421 1 1582 . 1 1 131 131 VAL CG2 C 13 21.813 0.15 . 2 . . . A 132 VAL CG2 . 17421 1 1583 . 1 1 131 131 VAL N N 15 122.499 0.15 . 1 . . . A 132 VAL N . 17421 1 1584 . 1 1 132 132 SER H H 1 8.520 0.005 . 1 . . . A 133 SER H . 17421 1 1585 . 1 1 132 132 SER HA H 1 3.147 0.004 . 1 . . . A 133 SER HA . 17421 1 1586 . 1 1 132 132 SER HB2 H 1 3.410 0.001 . 2 . . . A 133 SER HB2 . 17421 1 1587 . 1 1 132 132 SER HB3 H 1 2.735 0.003 . 2 . . . A 133 SER HB3 . 17421 1 1588 . 1 1 132 132 SER C C 13 176.181 0.15 . 1 . . . A 133 SER C . 17421 1 1589 . 1 1 132 132 SER CA C 13 61.804 0.15 . 1 . . . A 133 SER CA . 17421 1 1590 . 1 1 132 132 SER CB C 13 61.658 0.011 . 1 . . . A 133 SER CB . 17421 1 1591 . 1 1 132 132 SER N N 15 115.191 0.15 . 1 . . . A 133 SER N . 17421 1 1592 . 1 1 133 133 ALA H H 1 6.470 0.003 . 1 . . . A 134 ALA H . 17421 1 1593 . 1 1 133 133 ALA HA H 1 4.104 0.001 . 1 . . . A 134 ALA HA . 17421 1 1594 . 1 1 133 133 ALA HB1 H 1 1.427 0.001 . 1 . . . A 134 ALA QB . 17421 1 1595 . 1 1 133 133 ALA HB2 H 1 1.427 0.001 . 1 . . . A 134 ALA QB . 17421 1 1596 . 1 1 133 133 ALA HB3 H 1 1.427 0.001 . 1 . . . A 134 ALA QB . 17421 1 1597 . 1 1 133 133 ALA C C 13 180.172 0.15 . 1 . . . A 134 ALA C . 17421 1 1598 . 1 1 133 133 ALA CA C 13 55.199 0.15 . 1 . . . A 134 ALA CA . 17421 1 1599 . 1 1 133 133 ALA CB C 13 18.327 0.15 . 1 . . . A 134 ALA CB . 17421 1 1600 . 1 1 133 133 ALA N N 15 123.956 0.15 . 1 . . . A 134 ALA N . 17421 1 1601 . 1 1 134 134 MET H H 1 7.465 0.004 . 1 . . . A 135 MET H . 17421 1 1602 . 1 1 134 134 MET HA H 1 4.143 0.003 . 1 . . . A 135 MET HA . 17421 1 1603 . 1 1 134 134 MET HB2 H 1 2.189 0.031 . 2 . . . A 135 MET HB2 . 17421 1 1604 . 1 1 134 134 MET HB3 H 1 2.309 0.087 . 2 . . . A 135 MET HB3 . 17421 1 1605 . 1 1 134 134 MET HG2 H 1 2.289 0.002 . 2 . . . A 135 MET HG2 . 17421 1 1606 . 1 1 134 134 MET HG3 H 1 2.595 0.007 . 2 . . . A 135 MET HG3 . 17421 1 1607 . 1 1 134 134 MET HE1 H 1 2.266 0.002 . 1 . . . A 135 MET QE . 17421 1 1608 . 1 1 134 134 MET HE2 H 1 2.266 0.002 . 1 . . . A 135 MET QE . 17421 1 1609 . 1 1 134 134 MET HE3 H 1 2.266 0.002 . 1 . . . A 135 MET QE . 17421 1 1610 . 1 1 134 134 MET C C 13 178.113 0.15 . 1 . . . A 135 MET C . 17421 1 1611 . 1 1 134 134 MET CA C 13 59.533 0.060 . 1 . . . A 135 MET CA . 17421 1 1612 . 1 1 134 134 MET CB C 13 34.252 0.15 . 1 . . . A 135 MET CB . 17421 1 1613 . 1 1 134 134 MET CG C 13 30.928 0.030 . 1 . . . A 135 MET CG . 17421 1 1614 . 1 1 134 134 MET CE C 13 17.613 0.15 . 1 . . . A 135 MET CE . 17421 1 1615 . 1 1 134 134 MET N N 15 119.091 0.15 . 1 . . . A 135 MET N . 17421 1 1616 . 1 1 135 135 ILE H H 1 8.525 0.002 . 1 . . . A 136 ILE H . 17421 1 1617 . 1 1 135 135 ILE HA H 1 3.482 0.003 . 1 . . . A 136 ILE HA . 17421 1 1618 . 1 1 135 135 ILE HB H 1 1.896 0.003 . 1 . . . A 136 ILE HB . 17421 1 1619 . 1 1 135 135 ILE HG12 H 1 0.703 0.008 . 2 . . . A 136 ILE HG12 . 17421 1 1620 . 1 1 135 135 ILE HG13 H 1 1.887 0.02 . 2 . . . A 136 ILE HG13 . 17421 1 1621 . 1 1 135 135 ILE HG21 H 1 0.738 0.02 . 1 . . . A 136 ILE QG2 . 17421 1 1622 . 1 1 135 135 ILE HG22 H 1 0.738 0.02 . 1 . . . A 136 ILE QG2 . 17421 1 1623 . 1 1 135 135 ILE HG23 H 1 0.738 0.02 . 1 . . . A 136 ILE QG2 . 17421 1 1624 . 1 1 135 135 ILE HD11 H 1 0.847 0.004 . 1 . . . A 136 ILE QD1 . 17421 1 1625 . 1 1 135 135 ILE HD12 H 1 0.847 0.004 . 1 . . . A 136 ILE QD1 . 17421 1 1626 . 1 1 135 135 ILE HD13 H 1 0.847 0.004 . 1 . . . A 136 ILE QD1 . 17421 1 1627 . 1 1 135 135 ILE C C 13 178.015 0.15 . 1 . . . A 136 ILE C . 17421 1 1628 . 1 1 135 135 ILE CA C 13 67.057 0.15 . 1 . . . A 136 ILE CA . 17421 1 1629 . 1 1 135 135 ILE CB C 13 38.557 0.15 . 1 . . . A 136 ILE CB . 17421 1 1630 . 1 1 135 135 ILE CG1 C 13 30.795 0.027 . 1 . . . A 136 ILE CG1 . 17421 1 1631 . 1 1 135 135 ILE CG2 C 13 18.679 0.15 . 1 . . . A 136 ILE CG2 . 17421 1 1632 . 1 1 135 135 ILE CD1 C 13 15.744 0.15 . 1 . . . A 136 ILE CD1 . 17421 1 1633 . 1 1 135 135 ILE N N 15 120.470 0.15 . 1 . . . A 136 ILE N . 17421 1 1634 . 1 1 136 136 GLU H H 1 8.124 0.008 . 1 . . . A 137 GLU H . 17421 1 1635 . 1 1 136 136 GLU HA H 1 3.879 0.003 . 1 . . . A 137 GLU HA . 17421 1 1636 . 1 1 136 136 GLU HB3 H 1 2.117 0.02 . 2 . . . A 137 GLU HB3 . 17421 1 1637 . 1 1 136 136 GLU HG2 H 1 2.237 0.004 . 2 . . . A 137 GLU HG2 . 17421 1 1638 . 1 1 136 136 GLU HG3 H 1 2.527 0.02 . 2 . . . A 137 GLU HG3 . 17421 1 1639 . 1 1 136 136 GLU C C 13 178.944 0.15 . 1 . . . A 137 GLU C . 17421 1 1640 . 1 1 136 136 GLU CA C 13 60.339 0.15 . 1 . . . A 137 GLU CA . 17421 1 1641 . 1 1 136 136 GLU CB C 13 29.319 0.15 . 1 . . . A 137 GLU CB . 17421 1 1642 . 1 1 136 136 GLU CG C 13 36.713 0.017 . 1 . . . A 137 GLU CG . 17421 1 1643 . 1 1 136 136 GLU N N 15 117.126 0.15 . 1 . . . A 137 GLU N . 17421 1 1644 . 1 1 137 137 GLU H H 1 7.878 0.005 . 1 . . . A 138 GLU H . 17421 1 1645 . 1 1 137 137 GLU HA H 1 4.100 0.013 . 1 . . . A 138 GLU HA . 17421 1 1646 . 1 1 137 137 GLU HB3 H 1 2.139 0.02 . 2 . . . A 138 GLU HB3 . 17421 1 1647 . 1 1 137 137 GLU HG2 H 1 2.161 0.02 . 2 . . . A 138 GLU HG2 . 17421 1 1648 . 1 1 137 137 GLU HG3 H 1 2.360 0.02 . 2 . . . A 138 GLU HG3 . 17421 1 1649 . 1 1 137 137 GLU C C 13 179.679 0.15 . 1 . . . A 138 GLU C . 17421 1 1650 . 1 1 137 137 GLU CA C 13 59.731 0.15 . 1 . . . A 138 GLU CA . 17421 1 1651 . 1 1 137 137 GLU CB C 13 30.200 0.15 . 1 . . . A 138 GLU CB . 17421 1 1652 . 1 1 137 137 GLU CG C 13 36.427 0.043 . 1 . . . A 138 GLU CG . 17421 1 1653 . 1 1 137 137 GLU N N 15 118.624 0.15 . 1 . . . A 138 GLU N . 17421 1 1654 . 1 1 138 138 VAL H H 1 8.752 0.008 . 1 . . . A 139 VAL H . 17421 1 1655 . 1 1 138 138 VAL HA H 1 3.600 0.011 . 1 . . . A 139 VAL HA . 17421 1 1656 . 1 1 138 138 VAL HB H 1 1.985 0.007 . 1 . . . A 139 VAL HB . 17421 1 1657 . 1 1 138 138 VAL HG11 H 1 0.146 0.008 . 1 . . . A 139 VAL QG1 . 17421 1 1658 . 1 1 138 138 VAL HG12 H 1 0.146 0.008 . 1 . . . A 139 VAL QG1 . 17421 1 1659 . 1 1 138 138 VAL HG13 H 1 0.146 0.008 . 1 . . . A 139 VAL QG1 . 17421 1 1660 . 1 1 138 138 VAL HG21 H 1 1.097 0.003 . 1 . . . A 139 VAL QG2 . 17421 1 1661 . 1 1 138 138 VAL HG22 H 1 1.097 0.003 . 1 . . . A 139 VAL QG2 . 17421 1 1662 . 1 1 138 138 VAL HG23 H 1 1.097 0.003 . 1 . . . A 139 VAL QG2 . 17421 1 1663 . 1 1 138 138 VAL C C 13 177.881 0.15 . 1 . . . A 139 VAL C . 17421 1 1664 . 1 1 138 138 VAL CA C 13 66.429 0.15 . 1 . . . A 139 VAL CA . 17421 1 1665 . 1 1 138 138 VAL CB C 13 32.340 0.045 . 1 . . . A 139 VAL CB . 17421 1 1666 . 1 1 138 138 VAL CG1 C 13 21.919 0.15 . 2 . . . A 139 VAL CG1 . 17421 1 1667 . 1 1 138 138 VAL CG2 C 13 23.521 0.15 . 2 . . . A 139 VAL CG2 . 17421 1 1668 . 1 1 138 138 VAL N N 15 119.898 0.15 . 1 . . . A 139 VAL N . 17421 1 1669 . 1 1 139 139 PHE H H 1 8.072 0.012 . 1 . . . A 140 PHE H . 17421 1 1670 . 1 1 139 139 PHE HA H 1 4.215 0.008 . 1 . . . A 140 PHE HA . 17421 1 1671 . 1 1 139 139 PHE HB2 H 1 2.701 0.007 . 2 . . . A 140 PHE HB2 . 17421 1 1672 . 1 1 139 139 PHE HB3 H 1 3.196 0.007 . 2 . . . A 140 PHE HB3 . 17421 1 1673 . 1 1 139 139 PHE HD1 H 1 7.624 0.014 . 3 . . . A 140 PHE HD1 . 17421 1 1674 . 1 1 139 139 PHE HD2 H 1 7.624 0.014 . 3 . . . A 140 PHE HD2 . 17421 1 1675 . 1 1 139 139 PHE HE1 H 1 6.954 0.013 . 3 . . . A 140 PHE HE1 . 17421 1 1676 . 1 1 139 139 PHE HE2 H 1 6.954 0.013 . 3 . . . A 140 PHE HE2 . 17421 1 1677 . 1 1 139 139 PHE HZ H 1 6.843 0.02 . 1 . . . A 140 PHE HZ . 17421 1 1678 . 1 1 139 139 PHE C C 13 175.417 0.15 . 1 . . . A 140 PHE C . 17421 1 1679 . 1 1 139 139 PHE CA C 13 59.900 0.15 . 1 . . . A 140 PHE CA . 17421 1 1680 . 1 1 139 139 PHE CB C 13 38.400 0.006 . 1 . . . A 140 PHE CB . 17421 1 1681 . 1 1 139 139 PHE CD1 C 13 132.417 0.15 . 3 . . . A 140 PHE CD1 . 17421 1 1682 . 1 1 139 139 PHE CE1 C 13 129.812 0.15 . 3 . . . A 140 PHE CE1 . 17421 1 1683 . 1 1 139 139 PHE CZ C 13 129.201 0.15 . 1 . . . A 140 PHE CZ . 17421 1 1684 . 1 1 139 139 PHE N N 15 112.228 0.15 . 1 . . . A 140 PHE N . 17421 1 1685 . 1 1 140 140 GLU H H 1 7.372 0.003 . 1 . . . A 141 GLU H . 17421 1 1686 . 1 1 140 140 GLU HA H 1 4.181 0.02 . 1 . . . A 141 GLU HA . 17421 1 1687 . 1 1 140 140 GLU HB2 H 1 2.094 0.02 . 2 . . . A 141 GLU HB2 . 17421 1 1688 . 1 1 140 140 GLU HB3 H 1 2.447 0.005 . 2 . . . A 141 GLU HB3 . 17421 1 1689 . 1 1 140 140 GLU HG3 H 1 2.395 0.001 . 2 . . . A 141 GLU HG3 . 17421 1 1690 . 1 1 140 140 GLU C C 13 176.316 0.15 . 1 . . . A 141 GLU C . 17421 1 1691 . 1 1 140 140 GLU CA C 13 59.347 0.15 . 1 . . . A 141 GLU CA . 17421 1 1692 . 1 1 140 140 GLU CB C 13 29.787 0.026 . 1 . . . A 141 GLU CB . 17421 1 1693 . 1 1 140 140 GLU CG C 13 36.064 0.15 . 1 . . . A 141 GLU CG . 17421 1 1694 . 1 1 140 140 GLU N N 15 124.329 0.15 . 1 . . . A 141 GLU N . 17421 1 1695 . 1 1 141 141 ALA H H 1 8.874 0.02 . 1 . . . A 142 ALA H . 17421 1 1696 . 1 1 141 141 ALA HA H 1 4.365 0.02 . 1 . . . A 142 ALA HA . 17421 1 1697 . 1 1 141 141 ALA HB1 H 1 1.489 0.002 . 1 . . . A 142 ALA QB . 17421 1 1698 . 1 1 141 141 ALA HB2 H 1 1.489 0.002 . 1 . . . A 142 ALA QB . 17421 1 1699 . 1 1 141 141 ALA HB3 H 1 1.489 0.002 . 1 . . . A 142 ALA QB . 17421 1 1700 . 1 1 141 141 ALA C C 13 177.205 0.15 . 1 . . . A 142 ALA C . 17421 1 1701 . 1 1 141 141 ALA CA C 13 53.253 0.15 . 1 . . . A 142 ALA CA . 17421 1 1702 . 1 1 141 141 ALA CB C 13 17.687 0.15 . 1 . . . A 142 ALA CB . 17421 1 1703 . 1 1 141 141 ALA N N 15 122.041 0.15 . 1 . . . A 142 ALA N . 17421 1 1704 . 1 1 142 142 THR H H 1 7.780 0.018 . 1 . . . A 143 THR H . 17421 1 1705 . 1 1 142 142 THR HA H 1 4.841 0.02 . 1 . . . A 143 THR HA . 17421 1 1706 . 1 1 142 142 THR HB H 1 4.432 0.02 . 1 . . . A 143 THR HB . 17421 1 1707 . 1 1 142 142 THR HG1 H 1 5.463 0.02 . 1 . . . A 143 THR HG1 . 17421 1 1708 . 1 1 142 142 THR HG21 H 1 1.245 0.007 . 1 . . . A 143 THR QG2 . 17421 1 1709 . 1 1 142 142 THR HG22 H 1 1.245 0.007 . 1 . . . A 143 THR QG2 . 17421 1 1710 . 1 1 142 142 THR HG23 H 1 1.245 0.007 . 1 . . . A 143 THR QG2 . 17421 1 1711 . 1 1 142 142 THR C C 13 174.324 0.15 . 1 . . . A 143 THR C . 17421 1 1712 . 1 1 142 142 THR CA C 13 61.474 0.15 . 1 . . . A 143 THR CA . 17421 1 1713 . 1 1 142 142 THR CB C 13 72.919 0.15 . 1 . . . A 143 THR CB . 17421 1 1714 . 1 1 142 142 THR CG2 C 13 22.312 0.15 . 1 . . . A 143 THR CG2 . 17421 1 1715 . 1 1 142 142 THR N N 15 107.928 0.15 . 1 . . . A 143 THR N . 17421 1 1716 . 1 1 143 143 ASP H H 1 8.919 0.02 . 1 . . . A 144 ASP H . 17421 1 1717 . 1 1 143 143 ASP HA H 1 4.960 0.009 . 1 . . . A 144 ASP HA . 17421 1 1718 . 1 1 143 143 ASP HB2 H 1 2.687 0.02 . 2 . . . A 144 ASP HB2 . 17421 1 1719 . 1 1 143 143 ASP HB3 H 1 2.895 0.001 . 2 . . . A 144 ASP HB3 . 17421 1 1720 . 1 1 143 143 ASP C C 13 175.562 0.15 . 1 . . . A 144 ASP C . 17421 1 1721 . 1 1 143 143 ASP CA C 13 53.927 0.15 . 1 . . . A 144 ASP CA . 17421 1 1722 . 1 1 143 143 ASP CB C 13 40.783 0.15 . 1 . . . A 144 ASP CB . 17421 1 1723 . 1 1 143 143 ASP N N 15 120.188 0.15 . 1 . . . A 144 ASP N . 17421 1 1724 . 1 1 144 144 ILE H H 1 7.397 0.007 . 1 . . . A 145 ILE H . 17421 1 1725 . 1 1 144 144 ILE HA H 1 4.009 0.02 . 1 . . . A 145 ILE HA . 17421 1 1726 . 1 1 144 144 ILE HB H 1 1.802 0.005 . 1 . . . A 145 ILE HB . 17421 1 1727 . 1 1 144 144 ILE HG12 H 1 1.353 0.004 . 2 . . . A 145 ILE HG12 . 17421 1 1728 . 1 1 144 144 ILE HG13 H 1 1.749 0.02 . 2 . . . A 145 ILE HG13 . 17421 1 1729 . 1 1 144 144 ILE HG21 H 1 0.500 0.006 . 1 . . . A 145 ILE QG2 . 17421 1 1730 . 1 1 144 144 ILE HG22 H 1 0.500 0.006 . 1 . . . A 145 ILE QG2 . 17421 1 1731 . 1 1 144 144 ILE HG23 H 1 0.500 0.006 . 1 . . . A 145 ILE QG2 . 17421 1 1732 . 1 1 144 144 ILE HD11 H 1 1.100 0.004 . 1 . . . A 145 ILE QD1 . 17421 1 1733 . 1 1 144 144 ILE HD12 H 1 1.100 0.004 . 1 . . . A 145 ILE QD1 . 17421 1 1734 . 1 1 144 144 ILE HD13 H 1 1.100 0.004 . 1 . . . A 145 ILE QD1 . 17421 1 1735 . 1 1 144 144 ILE C C 13 175.408 0.15 . 1 . . . A 145 ILE C . 17421 1 1736 . 1 1 144 144 ILE CA C 13 62.638 0.003 . 1 . . . A 145 ILE CA . 17421 1 1737 . 1 1 144 144 ILE CB C 13 39.324 0.15 . 1 . . . A 145 ILE CB . 17421 1 1738 . 1 1 144 144 ILE CG1 C 13 29.187 0.001 . 1 . . . A 145 ILE CG1 . 17421 1 1739 . 1 1 144 144 ILE CG2 C 13 17.200 0.15 . 1 . . . A 145 ILE CG2 . 17421 1 1740 . 1 1 144 144 ILE CD1 C 13 14.473 0.15 . 1 . . . A 145 ILE CD1 . 17421 1 1741 . 1 1 144 144 ILE N N 15 120.909 0.15 . 1 . . . A 145 ILE N . 17421 1 1742 . 1 1 145 145 LYS H H 1 8.699 0.02 . 1 . . . A 146 LYS H . 17421 1 1743 . 1 1 145 145 LYS HA H 1 4.407 0.02 . 1 . . . A 146 LYS HA . 17421 1 1744 . 1 1 145 145 LYS HB2 H 1 1.984 0.02 . 2 . . . A 146 LYS HB2 . 17421 1 1745 . 1 1 145 145 LYS HB3 H 1 1.926 0.02 . 2 . . . A 146 LYS HB3 . 17421 1 1746 . 1 1 145 145 LYS HG2 H 1 1.522 0.02 . 2 . . . A 146 LYS HG2 . 17421 1 1747 . 1 1 145 145 LYS HG3 H 1 1.402 0.02 . 2 . . . A 146 LYS HG3 . 17421 1 1748 . 1 1 145 145 LYS HD3 H 1 1.734 0.009 . 2 . . . A 146 LYS HD3 . 17421 1 1749 . 1 1 145 145 LYS HE3 H 1 3.031 0.008 . 2 . . . A 146 LYS HE3 . 17421 1 1750 . 1 1 145 145 LYS C C 13 175.002 0.15 . 1 . . . A 146 LYS C . 17421 1 1751 . 1 1 145 145 LYS CA C 13 56.573 0.15 . 1 . . . A 146 LYS CA . 17421 1 1752 . 1 1 145 145 LYS CB C 13 33.348 0.15 . 1 . . . A 146 LYS CB . 17421 1 1753 . 1 1 145 145 LYS CG C 13 25.035 0.15 . 1 . . . A 146 LYS CG . 17421 1 1754 . 1 1 145 145 LYS CD C 13 28.868 0.15 . 1 . . . A 146 LYS CD . 17421 1 1755 . 1 1 145 145 LYS CE C 13 42.492 0.15 . 1 . . . A 146 LYS CE . 17421 1 1756 . 1 1 145 145 LYS N N 15 129.857 0.15 . 1 . . . A 146 LYS N . 17421 1 1757 . 1 1 146 146 ILE H H 1 7.940 0.008 . 1 . . . A 147 ILE H . 17421 1 1758 . 1 1 146 146 ILE HA H 1 5.026 0.004 . 1 . . . A 147 ILE HA . 17421 1 1759 . 1 1 146 146 ILE HB H 1 1.522 0.02 . 1 . . . A 147 ILE HB . 17421 1 1760 . 1 1 146 146 ILE HG12 H 1 0.561 0.02 . 2 . . . A 147 ILE HG12 . 17421 1 1761 . 1 1 146 146 ILE HG13 H 1 1.031 0.002 . 2 . . . A 147 ILE HG13 . 17421 1 1762 . 1 1 146 146 ILE HG21 H 1 0.640 0.012 . 1 . . . A 147 ILE QG2 . 17421 1 1763 . 1 1 146 146 ILE HG22 H 1 0.640 0.012 . 1 . . . A 147 ILE QG2 . 17421 1 1764 . 1 1 146 146 ILE HG23 H 1 0.640 0.012 . 1 . . . A 147 ILE QG2 . 17421 1 1765 . 1 1 146 146 ILE HD11 H 1 -0.175 0.007 . 1 . . . A 147 ILE QD1 . 17421 1 1766 . 1 1 146 146 ILE HD12 H 1 -0.175 0.007 . 1 . . . A 147 ILE QD1 . 17421 1 1767 . 1 1 146 146 ILE HD13 H 1 -0.175 0.007 . 1 . . . A 147 ILE QD1 . 17421 1 1768 . 1 1 146 146 ILE C C 13 175.620 0.15 . 1 . . . A 147 ILE C . 17421 1 1769 . 1 1 146 146 ILE CA C 13 59.986 0.15 . 1 . . . A 147 ILE CA . 17421 1 1770 . 1 1 146 146 ILE CB C 13 39.990 0.15 . 1 . . . A 147 ILE CB . 17421 1 1771 . 1 1 146 146 ILE CG1 C 13 28.515 0.005 . 1 . . . A 147 ILE CG1 . 17421 1 1772 . 1 1 146 146 ILE CG2 C 13 18.499 0.15 . 1 . . . A 147 ILE CG2 . 17421 1 1773 . 1 1 146 146 ILE CD1 C 13 12.958 0.15 . 1 . . . A 147 ILE CD1 . 17421 1 1774 . 1 1 146 146 ILE N N 15 124.495 0.15 . 1 . . . A 147 ILE N . 17421 1 1775 . 1 1 147 147 THR H H 1 9.030 0.02 . 1 . . . A 148 THR H . 17421 1 1776 . 1 1 147 147 THR HA H 1 5.084 0.006 . 1 . . . A 148 THR HA . 17421 1 1777 . 1 1 147 147 THR HB H 1 4.400 0.02 . 1 . . . A 148 THR HB . 17421 1 1778 . 1 1 147 147 THR HG21 H 1 0.687 0.02 . 1 . . . A 148 THR QG2 . 17421 1 1779 . 1 1 147 147 THR HG22 H 1 0.687 0.02 . 1 . . . A 148 THR QG2 . 17421 1 1780 . 1 1 147 147 THR HG23 H 1 0.687 0.02 . 1 . . . A 148 THR QG2 . 17421 1 1781 . 1 1 147 147 THR C C 13 173.475 0.15 . 1 . . . A 148 THR C . 17421 1 1782 . 1 1 147 147 THR CA C 13 61.343 0.15 . 1 . . . A 148 THR CA . 17421 1 1783 . 1 1 147 147 THR CB C 13 69.413 0.15 . 1 . . . A 148 THR CB . 17421 1 1784 . 1 1 147 147 THR CG2 C 13 23.416 0.15 . 1 . . . A 148 THR CG2 . 17421 1 1785 . 1 1 147 147 THR N N 15 126.533 0.15 . 1 . . . A 148 THR N . 17421 1 1786 . 1 1 148 148 VAL H H 1 8.778 0.013 . 1 . . . A 149 VAL H . 17421 1 1787 . 1 1 148 148 VAL HA H 1 5.118 0.004 . 1 . . . A 149 VAL HA . 17421 1 1788 . 1 1 148 148 VAL HB H 1 1.526 0.02 . 1 . . . A 149 VAL HB . 17421 1 1789 . 1 1 148 148 VAL HG11 H 1 0.860 0.005 . 1 . . . A 149 VAL QG1 . 17421 1 1790 . 1 1 148 148 VAL HG12 H 1 0.860 0.005 . 1 . . . A 149 VAL QG1 . 17421 1 1791 . 1 1 148 148 VAL HG13 H 1 0.860 0.005 . 1 . . . A 149 VAL QG1 . 17421 1 1792 . 1 1 148 148 VAL HG21 H 1 0.503 0.003 . 1 . . . A 149 VAL QG2 . 17421 1 1793 . 1 1 148 148 VAL HG22 H 1 0.503 0.003 . 1 . . . A 149 VAL QG2 . 17421 1 1794 . 1 1 148 148 VAL HG23 H 1 0.503 0.003 . 1 . . . A 149 VAL QG2 . 17421 1 1795 . 1 1 148 148 VAL C C 13 175.840 0.15 . 1 . . . A 149 VAL C . 17421 1 1796 . 1 1 148 148 VAL CA C 13 60.083 0.15 . 1 . . . A 149 VAL CA . 17421 1 1797 . 1 1 148 148 VAL CB C 13 33.219 0.15 . 1 . . . A 149 VAL CB . 17421 1 1798 . 1 1 148 148 VAL CG1 C 13 22.563 0.15 . 2 . . . A 149 VAL CG1 . 17421 1 1799 . 1 1 148 148 VAL CG2 C 13 20.950 0.15 . 2 . . . A 149 VAL CG2 . 17421 1 1800 . 1 1 148 148 VAL N N 15 127.455 0.15 . 1 . . . A 149 VAL N . 17421 1 1801 . 1 1 149 149 TYR H H 1 8.817 0.02 . 1 . . . A 150 TYR H . 17421 1 1802 . 1 1 149 149 TYR HA H 1 5.317 0.002 . 1 . . . A 150 TYR HA . 17421 1 1803 . 1 1 149 149 TYR HB2 H 1 2.503 0.005 . 2 . . . A 150 TYR HB2 . 17421 1 1804 . 1 1 149 149 TYR HB3 H 1 3.341 0.004 . 2 . . . A 150 TYR HB3 . 17421 1 1805 . 1 1 149 149 TYR HD1 H 1 6.781 0.005 . 3 . . . A 150 TYR HD1 . 17421 1 1806 . 1 1 149 149 TYR HD2 H 1 6.781 0.005 . 3 . . . A 150 TYR HD2 . 17421 1 1807 . 1 1 149 149 TYR HE1 H 1 6.737 0.009 . 3 . . . A 150 TYR HE1 . 17421 1 1808 . 1 1 149 149 TYR HE2 H 1 6.737 0.009 . 3 . . . A 150 TYR HE2 . 17421 1 1809 . 1 1 149 149 TYR C C 13 176.819 0.15 . 1 . . . A 150 TYR C . 17421 1 1810 . 1 1 149 149 TYR CA C 13 57.426 0.15 . 1 . . . A 150 TYR CA . 17421 1 1811 . 1 1 149 149 TYR CB C 13 39.926 0.002 . 1 . . . A 150 TYR CB . 17421 1 1812 . 1 1 149 149 TYR CD2 C 13 133.344 0.15 . 3 . . . A 150 TYR CD2 . 17421 1 1813 . 1 1 149 149 TYR CE2 C 13 118.229 0.15 . 3 . . . A 150 TYR CE2 . 17421 1 1814 . 1 1 149 149 TYR N N 15 130.342 0.15 . 1 . . . A 150 TYR N . 17421 1 1815 . 1 1 150 150 THR H H 1 8.662 0.002 . 1 . . . A 151 THR H . 17421 1 1816 . 1 1 150 150 THR HA H 1 4.546 0.011 . 1 . . . A 151 THR HA . 17421 1 1817 . 1 1 150 150 THR HB H 1 4.033 0.006 . 1 . . . A 151 THR HB . 17421 1 1818 . 1 1 150 150 THR HG21 H 1 1.206 0.001 . 1 . . . A 151 THR QG2 . 17421 1 1819 . 1 1 150 150 THR HG22 H 1 1.206 0.001 . 1 . . . A 151 THR QG2 . 17421 1 1820 . 1 1 150 150 THR HG23 H 1 1.206 0.001 . 1 . . . A 151 THR QG2 . 17421 1 1821 . 1 1 150 150 THR C C 13 172.567 0.15 . 1 . . . A 151 THR C . 17421 1 1822 . 1 1 150 150 THR CA C 13 62.260 0.15 . 1 . . . A 151 THR CA . 17421 1 1823 . 1 1 150 150 THR CB C 13 71.285 0.15 . 1 . . . A 151 THR CB . 17421 1 1824 . 1 1 150 150 THR CG2 C 13 21.022 0.15 . 1 . . . A 151 THR CG2 . 17421 1 1825 . 1 1 150 150 THR N N 15 117.579 0.15 . 1 . . . A 151 THR N . 17421 1 1826 . 1 1 151 151 LEU H H 1 7.480 0.006 . 1 . . . A 152 LEU H . 17421 1 1827 . 1 1 151 151 LEU HA H 1 3.807 0.005 . 1 . . . A 152 LEU HA . 17421 1 1828 . 1 1 151 151 LEU HB2 H 1 0.958 0.02 . 2 . . . A 152 LEU HB2 . 17421 1 1829 . 1 1 151 151 LEU HB3 H 1 1.051 0.006 . 2 . . . A 152 LEU HB3 . 17421 1 1830 . 1 1 151 151 LEU HG H 1 0.757 0.005 . 1 . . . A 152 LEU HG . 17421 1 1831 . 1 1 151 151 LEU HD11 H 1 0.391 0.004 . 1 . . . A 152 LEU QD1 . 17421 1 1832 . 1 1 151 151 LEU HD12 H 1 0.391 0.004 . 1 . . . A 152 LEU QD1 . 17421 1 1833 . 1 1 151 151 LEU HD13 H 1 0.391 0.004 . 1 . . . A 152 LEU QD1 . 17421 1 1834 . 1 1 151 151 LEU HD21 H 1 0.265 0.006 . 1 . . . A 152 LEU QD2 . 17421 1 1835 . 1 1 151 151 LEU HD22 H 1 0.265 0.006 . 1 . . . A 152 LEU QD2 . 17421 1 1836 . 1 1 151 151 LEU HD23 H 1 0.265 0.006 . 1 . . . A 152 LEU QD2 . 17421 1 1837 . 1 1 151 151 LEU CA C 13 57.308 0.15 . 1 . . . A 152 LEU CA . 17421 1 1838 . 1 1 151 151 LEU CB C 13 43.067 0.003 . 1 . . . A 152 LEU CB . 17421 1 1839 . 1 1 151 151 LEU CG C 13 26.910 0.15 . 1 . . . A 152 LEU CG . 17421 1 1840 . 1 1 151 151 LEU CD1 C 13 23.463 0.15 . 2 . . . A 152 LEU CD1 . 17421 1 1841 . 1 1 151 151 LEU CD2 C 13 24.476 0.15 . 2 . . . A 152 LEU CD2 . 17421 1 1842 . 1 1 151 151 LEU N N 15 130.874 0.15 . 1 . . . A 152 LEU N . 17421 1 1843 . 2 2 1 1 APR H'1 H 1 6.120 0.02 . 1 . . . A 186 APR H'1 . 17421 1 1844 . 2 2 1 1 APR H'4 H 1 4.328 0.02 . 1 . . . A 186 APR H'4 . 17421 1 1845 . 2 2 1 1 APR H2 H 1 8.207 0.003 . 1 . . . A 186 APR H2 . 17421 1 1846 . 2 2 1 1 APR H51 H 1 4.200 0.02 . 1 . . . A 186 APR H51 . 17421 1 1847 . 2 2 1 1 APR H52 H 1 4.200 0.02 . 1 . . . A 186 APR H52 . 17421 1 1848 . 2 2 1 1 APR H5R1 H 1 4.230 0.02 . 1 . . . A 186 APR H5R1 . 17421 1 1849 . 2 2 1 1 APR H5R2 H 1 4.230 0.02 . 1 . . . A 186 APR H5R2 . 17421 1 1850 . 2 2 1 1 APR H61 H 1 8.418 0.02 . 1 . . . A 186 APR H61 . 17421 1 1851 . 2 2 1 1 APR H62 H 1 8.418 0.02 . 1 . . . A 186 APR H62 . 17421 1 1852 . 2 2 1 1 APR H8 H 1 8.753 0.02 . 1 . . . A 186 APR H8 . 17421 1 1853 . 2 2 1 1 APR HR'3 H 1 3.950 0.02 . 1 . . . A 186 APR HR'3 . 17421 1 1854 . 2 2 1 1 APR HR'4 H 1 3.885 0.02 . 1 . . . A 186 APR HR'4 . 17421 1 stop_ save_