data_25417 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25417 _Entry.Title ; NMR resonance assignments of CadC 1-159 from E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-07 _Entry.Accession_date 2015-01-07 _Entry.Last_release_date 2015-05-18 _Entry.Original_release_date 2015-05-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR resonance assignments of CadC 1-159 from E.coli' _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.ORCID _Entry_author.Entry_ID 1 Andreas Schlundt . . . . 25417 2 Michael Sattler . . . . 25417 3 Thomas Heydenreich . . . . 25417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 25417 '15N chemical shifts' 156 25417 '1H chemical shifts' 755 25417 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-02-18 2015-01-07 update BMRB 'update entry citation' 25417 1 . . 2015-05-18 2015-01-07 original author 'original release' 25417 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4S16 'Crystal structure' 25417 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25417 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25979249 _Citation.Full_citation . _Citation.Title ; Structural and functional analysis of the signal transducing linker in the pH-responsive one component system CadC of Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 427 _Citation.Journal_issue 15 _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 2548 _Citation.Page_last 2561 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andreas Schlundt . . . . 25417 1 2 Thomas Heydenreich . . . . 25417 1 3 Sophie Buchner . . . . 25417 1 4 Robert Janowski . . . . 25417 1 5 Dierk Niessing . . . . 25417 1 6 Michael Sattler . . . . 25417 1 7 Kirsten Jung . . . . 25417 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CadC 25417 1 'DNA binding' 25417 1 'cytoplasmic domain' 25417 1 'pH sensor' 25417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25417 _Assembly.ID 1 _Assembly.Name CadC1-159 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18160.6 _Assembly.Enzyme_commission_number . _Assembly.Details 'Cytoplasmic part of the membrane protein CadC from E.coli.' _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 CadC1-159 1 $CadC A . yes native no no . . . 25417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CadC _Entity.Sf_category entity _Entity.Sf_framecode CadC _Entity.Entry_ID 25417 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CadC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAQQPVVRVGEWLVTPSI NQISRNGRQLTLEPRLIDLL VFFAQHSGEVLSRDELIDNV WKRSIVTNHVVTQSISELRK SLKDNDEDSPVYIATVPKRG YKLMVPVIWYSEEEGEEIML SSPPPIPEAVPATDSPSHSL NIQNTATPPEQSPVKSKRFT TF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Sequence starts with -2. GAM is cloning remnant, an additional A is part of the restriction site. The original sequence number starts with Q2. ; _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18160.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P23890 . CADC_ECOLI . . . . . . . . . . . . . . 25417 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Required for Pcad induction, a promoter upstream of cadBA that is responsible for the pH-regulated expression of CadA and CadB. Probably acts as an activating transcription factor. ; 25417 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 . 25417 1 2 -1 ALA . 25417 1 3 0 MET . 25417 1 4 1 ALA . 25417 1 5 2 GLN . 25417 1 6 3 GLN . 25417 1 7 4 PRO . 25417 1 8 5 VAL . 25417 1 9 6 VAL . 25417 1 10 7 ARG . 25417 1 11 8 VAL . 25417 1 12 9 GLY . 25417 1 13 10 GLU . 25417 1 14 11 TRP . 25417 1 15 12 LEU . 25417 1 16 13 VAL . 25417 1 17 14 THR . 25417 1 18 15 PRO . 25417 1 19 16 SER . 25417 1 20 17 ILE . 25417 1 21 18 ASN . 25417 1 22 19 GLN . 25417 1 23 20 ILE . 25417 1 24 21 SER . 25417 1 25 22 ARG . 25417 1 26 23 ASN . 25417 1 27 24 GLY . 25417 1 28 25 ARG . 25417 1 29 26 GLN . 25417 1 30 27 LEU . 25417 1 31 28 THR . 25417 1 32 29 LEU . 25417 1 33 30 GLU . 25417 1 34 31 PRO . 25417 1 35 32 ARG . 25417 1 36 33 LEU . 25417 1 37 34 ILE . 25417 1 38 35 ASP . 25417 1 39 36 LEU . 25417 1 40 37 LEU . 25417 1 41 38 VAL . 25417 1 42 39 PHE . 25417 1 43 40 PHE . 25417 1 44 41 ALA . 25417 1 45 42 GLN . 25417 1 46 43 HIS . 25417 1 47 44 SER . 25417 1 48 45 GLY . 25417 1 49 46 GLU . 25417 1 50 47 VAL . 25417 1 51 48 LEU . 25417 1 52 49 SER . 25417 1 53 50 ARG . 25417 1 54 51 ASP . 25417 1 55 52 GLU . 25417 1 56 53 LEU . 25417 1 57 54 ILE . 25417 1 58 55 ASP . 25417 1 59 56 ASN . 25417 1 60 57 VAL . 25417 1 61 58 TRP . 25417 1 62 59 LYS . 25417 1 63 60 ARG . 25417 1 64 61 SER . 25417 1 65 62 ILE . 25417 1 66 63 VAL . 25417 1 67 64 THR . 25417 1 68 65 ASN . 25417 1 69 66 HIS . 25417 1 70 67 VAL . 25417 1 71 68 VAL . 25417 1 72 69 THR . 25417 1 73 70 GLN . 25417 1 74 71 SER . 25417 1 75 72 ILE . 25417 1 76 73 SER . 25417 1 77 74 GLU . 25417 1 78 75 LEU . 25417 1 79 76 ARG . 25417 1 80 77 LYS . 25417 1 81 78 SER . 25417 1 82 79 LEU . 25417 1 83 80 LYS . 25417 1 84 81 ASP . 25417 1 85 82 ASN . 25417 1 86 83 ASP . 25417 1 87 84 GLU . 25417 1 88 85 ASP . 25417 1 89 86 SER . 25417 1 90 87 PRO . 25417 1 91 88 VAL . 25417 1 92 89 TYR . 25417 1 93 90 ILE . 25417 1 94 91 ALA . 25417 1 95 92 THR . 25417 1 96 93 VAL . 25417 1 97 94 PRO . 25417 1 98 95 LYS . 25417 1 99 96 ARG . 25417 1 100 97 GLY . 25417 1 101 98 TYR . 25417 1 102 99 LYS . 25417 1 103 100 LEU . 25417 1 104 101 MET . 25417 1 105 102 VAL . 25417 1 106 103 PRO . 25417 1 107 104 VAL . 25417 1 108 105 ILE . 25417 1 109 106 TRP . 25417 1 110 107 TYR . 25417 1 111 108 SER . 25417 1 112 109 GLU . 25417 1 113 110 GLU . 25417 1 114 111 GLU . 25417 1 115 112 GLY . 25417 1 116 113 GLU . 25417 1 117 114 GLU . 25417 1 118 115 ILE . 25417 1 119 116 MET . 25417 1 120 117 LEU . 25417 1 121 118 SER . 25417 1 122 119 SER . 25417 1 123 120 PRO . 25417 1 124 121 PRO . 25417 1 125 122 PRO . 25417 1 126 123 ILE . 25417 1 127 124 PRO . 25417 1 128 125 GLU . 25417 1 129 126 ALA . 25417 1 130 127 VAL . 25417 1 131 128 PRO . 25417 1 132 129 ALA . 25417 1 133 130 THR . 25417 1 134 131 ASP . 25417 1 135 132 SER . 25417 1 136 133 PRO . 25417 1 137 134 SER . 25417 1 138 135 HIS . 25417 1 139 136 SER . 25417 1 140 137 LEU . 25417 1 141 138 ASN . 25417 1 142 139 ILE . 25417 1 143 140 GLN . 25417 1 144 141 ASN . 25417 1 145 142 THR . 25417 1 146 143 ALA . 25417 1 147 144 THR . 25417 1 148 145 PRO . 25417 1 149 146 PRO . 25417 1 150 147 GLU . 25417 1 151 148 GLN . 25417 1 152 149 SER . 25417 1 153 150 PRO . 25417 1 154 151 VAL . 25417 1 155 152 LYS . 25417 1 156 153 SER . 25417 1 157 154 LYS . 25417 1 158 155 ARG . 25417 1 159 156 PHE . 25417 1 160 157 THR . 25417 1 161 158 THR . 25417 1 162 159 PHE . 25417 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 25417 1 . ALA 2 2 25417 1 . MET 3 3 25417 1 . ALA 4 4 25417 1 . GLN 5 5 25417 1 . GLN 6 6 25417 1 . PRO 7 7 25417 1 . VAL 8 8 25417 1 . VAL 9 9 25417 1 . ARG 10 10 25417 1 . VAL 11 11 25417 1 . GLY 12 12 25417 1 . GLU 13 13 25417 1 . TRP 14 14 25417 1 . LEU 15 15 25417 1 . VAL 16 16 25417 1 . THR 17 17 25417 1 . PRO 18 18 25417 1 . SER 19 19 25417 1 . ILE 20 20 25417 1 . ASN 21 21 25417 1 . GLN 22 22 25417 1 . ILE 23 23 25417 1 . SER 24 24 25417 1 . ARG 25 25 25417 1 . ASN 26 26 25417 1 . GLY 27 27 25417 1 . ARG 28 28 25417 1 . GLN 29 29 25417 1 . LEU 30 30 25417 1 . THR 31 31 25417 1 . LEU 32 32 25417 1 . GLU 33 33 25417 1 . PRO 34 34 25417 1 . ARG 35 35 25417 1 . LEU 36 36 25417 1 . ILE 37 37 25417 1 . ASP 38 38 25417 1 . LEU 39 39 25417 1 . LEU 40 40 25417 1 . VAL 41 41 25417 1 . PHE 42 42 25417 1 . PHE 43 43 25417 1 . ALA 44 44 25417 1 . GLN 45 45 25417 1 . HIS 46 46 25417 1 . SER 47 47 25417 1 . GLY 48 48 25417 1 . GLU 49 49 25417 1 . VAL 50 50 25417 1 . LEU 51 51 25417 1 . SER 52 52 25417 1 . ARG 53 53 25417 1 . ASP 54 54 25417 1 . GLU 55 55 25417 1 . LEU 56 56 25417 1 . ILE 57 57 25417 1 . ASP 58 58 25417 1 . ASN 59 59 25417 1 . VAL 60 60 25417 1 . TRP 61 61 25417 1 . LYS 62 62 25417 1 . ARG 63 63 25417 1 . SER 64 64 25417 1 . ILE 65 65 25417 1 . VAL 66 66 25417 1 . THR 67 67 25417 1 . ASN 68 68 25417 1 . HIS 69 69 25417 1 . VAL 70 70 25417 1 . VAL 71 71 25417 1 . THR 72 72 25417 1 . GLN 73 73 25417 1 . SER 74 74 25417 1 . ILE 75 75 25417 1 . SER 76 76 25417 1 . GLU 77 77 25417 1 . LEU 78 78 25417 1 . ARG 79 79 25417 1 . LYS 80 80 25417 1 . SER 81 81 25417 1 . LEU 82 82 25417 1 . LYS 83 83 25417 1 . ASP 84 84 25417 1 . ASN 85 85 25417 1 . ASP 86 86 25417 1 . GLU 87 87 25417 1 . ASP 88 88 25417 1 . SER 89 89 25417 1 . PRO 90 90 25417 1 . VAL 91 91 25417 1 . TYR 92 92 25417 1 . ILE 93 93 25417 1 . ALA 94 94 25417 1 . THR 95 95 25417 1 . VAL 96 96 25417 1 . PRO 97 97 25417 1 . LYS 98 98 25417 1 . ARG 99 99 25417 1 . GLY 100 100 25417 1 . TYR 101 101 25417 1 . LYS 102 102 25417 1 . LEU 103 103 25417 1 . MET 104 104 25417 1 . VAL 105 105 25417 1 . PRO 106 106 25417 1 . VAL 107 107 25417 1 . ILE 108 108 25417 1 . TRP 109 109 25417 1 . TYR 110 110 25417 1 . SER 111 111 25417 1 . GLU 112 112 25417 1 . GLU 113 113 25417 1 . GLU 114 114 25417 1 . GLY 115 115 25417 1 . GLU 116 116 25417 1 . GLU 117 117 25417 1 . ILE 118 118 25417 1 . MET 119 119 25417 1 . LEU 120 120 25417 1 . SER 121 121 25417 1 . SER 122 122 25417 1 . PRO 123 123 25417 1 . PRO 124 124 25417 1 . PRO 125 125 25417 1 . ILE 126 126 25417 1 . PRO 127 127 25417 1 . GLU 128 128 25417 1 . ALA 129 129 25417 1 . VAL 130 130 25417 1 . PRO 131 131 25417 1 . ALA 132 132 25417 1 . THR 133 133 25417 1 . ASP 134 134 25417 1 . SER 135 135 25417 1 . PRO 136 136 25417 1 . SER 137 137 25417 1 . HIS 138 138 25417 1 . SER 139 139 25417 1 . LEU 140 140 25417 1 . ASN 141 141 25417 1 . ILE 142 142 25417 1 . GLN 143 143 25417 1 . ASN 144 144 25417 1 . THR 145 145 25417 1 . ALA 146 146 25417 1 . THR 147 147 25417 1 . PRO 148 148 25417 1 . PRO 149 149 25417 1 . GLU 150 150 25417 1 . GLN 151 151 25417 1 . SER 152 152 25417 1 . PRO 153 153 25417 1 . VAL 154 154 25417 1 . LYS 155 155 25417 1 . SER 156 156 25417 1 . LYS 157 157 25417 1 . ARG 158 158 25417 1 . PHE 159 159 25417 1 . THR 160 160 25417 1 . THR 161 161 25417 1 . PHE 162 162 25417 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25417 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CadC . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25417 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 25417 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CadC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pETTrx1a . . . 25417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25417 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CadC '[U-100% 13C; U-100% 15N]' . . 1 $CadC . . 1 . . mM . . . . 25417 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25417 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25417 1 4 BisTris"natural abundance" . . . . . . 20 . . mM . . . . 25417 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 25417 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 25417 _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' 0.15 . M 25417 1 pH 6.5 . pH 25417 1 pressure 1 . atm 25417 1 temperature 298 . K 25417 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 25417 _Software.ID 1 _Software.Name CCPNMR_Analysis _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25417 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25417 1 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 25417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25417 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25417 _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 . 600 . . . 25417 1 2 spectrometer_2 Bruker Avance . 800 . . . 25417 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 25417 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25417 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 25417 _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 . . . . . . . . . 25417 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 25417 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25417 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 25417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25417 1 2 '3D HNCACB' . . . 25417 1 3 '3D HCCH-TOCSY' . . . 25417 1 5 '3D HBHA(CO)NH' . . . 25417 1 7 '3D 1H-13C NOESY aliphatic' . . . 25417 1 8 '3D 1H-15N NOESY' . . . 25417 1 10 '2D 1H-13C HSQC aliphatic' . . . 25417 1 11 '2D 1H-13C HSQC aromatic' . . . 25417 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.379 0.006 . 1 . . . . 0 Met H . 25417 1 2 . 1 1 3 3 MET HA H 1 4.352 0.017 . 1 . . . . 0 Met HA . 25417 1 3 . 1 1 3 3 MET HB2 H 1 1.975 0.010 . 2 . . . . 0 Met HB2 . 25417 1 4 . 1 1 3 3 MET HB3 H 1 1.368 0.053 . 2 . . . . 0 Met HB3 . 25417 1 5 . 1 1 3 3 MET HE1 H 1 2.018 0.000 . 1 . . . . 0 Met HE1 . 25417 1 6 . 1 1 3 3 MET HE2 H 1 2.018 0.000 . 1 . . . . 0 Met HE2 . 25417 1 7 . 1 1 3 3 MET HE3 H 1 2.018 0.000 . 1 . . . . 0 Met HE3 . 25417 1 8 . 1 1 3 3 MET C C 13 176.368 0.000 . 1 . . . . 0 Met C . 25417 1 9 . 1 1 3 3 MET CA C 13 55.334 0.048 . 1 . . . . 0 Met CA . 25417 1 10 . 1 1 3 3 MET CB C 13 32.763 0.029 . 1 . . . . 0 Met CB . 25417 1 11 . 1 1 3 3 MET CE C 13 16.840 0.000 . 1 . . . . 0 Met CE . 25417 1 12 . 1 1 3 3 MET N N 15 119.969 0.066 . 1 . . . . 0 Met N . 25417 1 13 . 1 1 4 4 ALA H H 1 8.278 0.006 . 1 . . . . 1 Ala H . 25417 1 14 . 1 1 4 4 ALA HA H 1 4.206 0.007 . 1 . . . . 1 Ala HA . 25417 1 15 . 1 1 4 4 ALA HB1 H 1 1.305 0.004 . 1 . . . . 1 Ala HB1 . 25417 1 16 . 1 1 4 4 ALA HB2 H 1 1.305 0.004 . 1 . . . . 1 Ala HB2 . 25417 1 17 . 1 1 4 4 ALA HB3 H 1 1.305 0.004 . 1 . . . . 1 Ala HB3 . 25417 1 18 . 1 1 4 4 ALA C C 13 177.913 0.000 . 1 . . . . 1 Ala C . 25417 1 19 . 1 1 4 4 ALA CA C 13 52.521 0.007 . 1 . . . . 1 Ala CA . 25417 1 20 . 1 1 4 4 ALA CB C 13 18.950 0.026 . 1 . . . . 1 Ala CB . 25417 1 21 . 1 1 4 4 ALA N N 15 125.487 0.060 . 1 . . . . 1 Ala N . 25417 1 22 . 1 1 5 5 GLN H H 1 8.250 0.007 . 1 . . . . 2 Gln H . 25417 1 23 . 1 1 5 5 GLN HA H 1 4.217 0.009 . 1 . . . . 2 Gln HA . 25417 1 24 . 1 1 5 5 GLN HB2 H 1 1.992 0.000 . 2 . . . . 2 Gln HB2 . 25417 1 25 . 1 1 5 5 GLN HB3 H 1 1.887 0.048 . 2 . . . . 2 Gln HB3 . 25417 1 26 . 1 1 5 5 GLN HG2 H 1 2.236 0.000 . 1 . . . . 2 Gln HG . 25417 1 27 . 1 1 5 5 GLN HG3 H 1 2.236 0.000 . 1 . . . . 2 Gln HG . 25417 1 28 . 1 1 5 5 GLN HE21 H 1 7.026 0.307 . 1 . . . . 2 Gln HE21 . 25417 1 29 . 1 1 5 5 GLN HE22 H 1 6.768 0.000 . 1 . . . . 2 Gln HE22 . 25417 1 30 . 1 1 5 5 GLN C C 13 175.730 0.000 . 1 . . . . 2 Gln C . 25417 1 31 . 1 1 5 5 GLN CA C 13 55.434 0.019 . 1 . . . . 2 Gln CA . 25417 1 32 . 1 1 5 5 GLN CB C 13 28.858 0.000 . 1 . . . . 2 Gln CB . 25417 1 33 . 1 1 5 5 GLN N N 15 119.222 0.057 . 1 . . . . 2 Gln N . 25417 1 34 . 1 1 5 5 GLN NE2 N 15 112.496 0.072 . 1 . . . . 2 Gln NE2 . 25417 1 35 . 1 1 6 6 GLN H H 1 7.890 0.643 . 1 . . . . 3 Gln H . 25417 1 36 . 1 1 6 6 GLN HA H 1 4.558 0.023 . 1 . . . . 3 Gln HA . 25417 1 37 . 1 1 6 6 GLN HB2 H 1 2.077 0.025 . 2 . . . . 3 Gln HB2 . 25417 1 38 . 1 1 6 6 GLN HB3 H 1 1.881 0.017 . 2 . . . . 3 Gln HB3 . 25417 1 39 . 1 1 6 6 GLN HE21 H 1 7.464 0.007 . 1 . . . . 3 Gln HE21 . 25417 1 40 . 1 1 6 6 GLN HE22 H 1 6.768 0.000 . 1 . . . . 3 Gln HE22 . 25417 1 41 . 1 1 6 6 GLN C C 13 173.639 0.000 . 1 . . . . 3 Gln C . 25417 1 42 . 1 1 6 6 GLN CA C 13 53.370 0.030 . 1 . . . . 3 Gln CA . 25417 1 43 . 1 1 6 6 GLN CB C 13 28.987 0.097 . 1 . . . . 3 Gln CB . 25417 1 44 . 1 1 6 6 GLN N N 15 122.277 0.051 . 1 . . . . 3 Gln N . 25417 1 45 . 1 1 6 6 GLN NE2 N 15 112.544 0.062 . 1 . . . . 3 Gln NE2 . 25417 1 46 . 1 1 7 7 PRO HA H 1 4.422 0.015 . 1 . . . . 4 Pro HA . 25417 1 47 . 1 1 7 7 PRO HB2 H 1 1.805 0.000 . 2 . . . . 4 Pro HB2 . 25417 1 48 . 1 1 7 7 PRO HB3 H 1 2.257 0.000 . 2 . . . . 4 Pro HB3 . 25417 1 49 . 1 1 7 7 PRO HD2 H 1 3.625 0.021 . 2 . . . . 4 Pro HD2 . 25417 1 50 . 1 1 7 7 PRO HD3 H 1 3.916 0.006 . 2 . . . . 4 Pro HD3 . 25417 1 51 . 1 1 7 7 PRO CA C 13 62.488 0.000 . 1 . . . . 4 Pro CA . 25417 1 52 . 1 1 7 7 PRO CB C 13 31.494 0.009 . 1 . . . . 4 Pro CB . 25417 1 53 . 1 1 7 7 PRO CD C 13 51.464 0.002 . 1 . . . . 4 Pro CD . 25417 1 54 . 1 1 8 8 VAL H H 1 8.108 0.019 . 1 . . . . 5 Val H . 25417 1 55 . 1 1 8 8 VAL HA H 1 3.467 0.026 . 1 . . . . 5 Val HA . 25417 1 56 . 1 1 8 8 VAL HB H 1 1.807 0.005 . 1 . . . . 5 Val HB . 25417 1 57 . 1 1 8 8 VAL HG11 H 1 0.920 0.030 . 2 . . . . 5 Val HG11 . 25417 1 58 . 1 1 8 8 VAL HG12 H 1 0.920 0.030 . 2 . . . . 5 Val HG12 . 25417 1 59 . 1 1 8 8 VAL HG13 H 1 0.920 0.030 . 2 . . . . 5 Val HG13 . 25417 1 60 . 1 1 8 8 VAL HG21 H 1 0.503 0.009 . 2 . . . . 5 Val HG21 . 25417 1 61 . 1 1 8 8 VAL HG22 H 1 0.503 0.009 . 2 . . . . 5 Val HG22 . 25417 1 62 . 1 1 8 8 VAL HG23 H 1 0.503 0.009 . 2 . . . . 5 Val HG23 . 25417 1 63 . 1 1 8 8 VAL C C 13 178.260 0.000 . 1 . . . . 5 Val C . 25417 1 64 . 1 1 8 8 VAL CA C 13 64.671 0.052 . 1 . . . . 5 Val CA . 25417 1 65 . 1 1 8 8 VAL CB C 13 36.457 0.055 . 1 . . . . 5 Val CB . 25417 1 66 . 1 1 8 8 VAL CG2 C 13 23.023 0.000 . 1 . . . . 5 Val CG2 . 25417 1 67 . 1 1 8 8 VAL N N 15 122.001 0.171 . 1 . . . . 5 Val N . 25417 1 68 . 1 1 9 9 VAL H H 1 7.933 0.059 . 1 . . . . 6 Val H . 25417 1 69 . 1 1 9 9 VAL HA H 1 4.146 0.020 . 1 . . . . 6 Val HA . 25417 1 70 . 1 1 9 9 VAL HB H 1 1.768 0.018 . 1 . . . . 6 Val HB . 25417 1 71 . 1 1 9 9 VAL HG11 H 1 0.557 0.016 . 2 . . . . 6 Val HG11 . 25417 1 72 . 1 1 9 9 VAL HG12 H 1 0.557 0.016 . 2 . . . . 6 Val HG12 . 25417 1 73 . 1 1 9 9 VAL HG13 H 1 0.557 0.016 . 2 . . . . 6 Val HG13 . 25417 1 74 . 1 1 9 9 VAL HG21 H 1 1.002 0.019 . 2 . . . . 6 Val HG21 . 25417 1 75 . 1 1 9 9 VAL HG22 H 1 1.002 0.019 . 2 . . . . 6 Val HG22 . 25417 1 76 . 1 1 9 9 VAL HG23 H 1 1.002 0.019 . 2 . . . . 6 Val HG23 . 25417 1 77 . 1 1 9 9 VAL C C 13 178.266 0.000 . 1 . . . . 6 Val C . 25417 1 78 . 1 1 9 9 VAL CA C 13 62.316 0.062 . 1 . . . . 6 Val CA . 25417 1 79 . 1 1 9 9 VAL CB C 13 35.566 0.328 . 1 . . . . 6 Val CB . 25417 1 80 . 1 1 9 9 VAL CG1 C 13 21.825 0.000 . 2 . . . . 6 Val CG1 . 25417 1 81 . 1 1 9 9 VAL CG2 C 13 21.768 0.000 . 2 . . . . 6 Val CG2 . 25417 1 82 . 1 1 9 9 VAL N N 15 115.201 0.191 . 1 . . . . 6 Val N . 25417 1 83 . 1 1 10 10 ARG H H 1 9.031 0.015 . 1 . . . . 7 Arg H . 25417 1 84 . 1 1 10 10 ARG HA H 1 5.322 0.011 . 1 . . . . 7 Arg HA . 25417 1 85 . 1 1 10 10 ARG HB2 H 1 1.386 0.017 . 2 . . . . 7 Arg HB2 . 25417 1 86 . 1 1 10 10 ARG HB3 H 1 1.774 0.018 . 2 . . . . 7 Arg HB3 . 25417 1 87 . 1 1 10 10 ARG HG2 H 1 0.786 0.008 . 1 . . . . 7 Arg HG2 . 25417 1 88 . 1 1 10 10 ARG C C 13 175.372 0.000 . 1 . . . . 7 Arg C . 25417 1 89 . 1 1 10 10 ARG CA C 13 53.949 0.001 . 1 . . . . 7 Arg CA . 25417 1 90 . 1 1 10 10 ARG CB C 13 32.557 0.085 . 1 . . . . 7 Arg CB . 25417 1 91 . 1 1 10 10 ARG N N 15 129.269 0.069 . 1 . . . . 7 Arg N . 25417 1 92 . 1 1 11 11 VAL H H 1 9.336 0.013 . 1 . . . . 8 Val H . 25417 1 93 . 1 1 11 11 VAL HA H 1 4.273 0.023 . 1 . . . . 8 Val HA . 25417 1 94 . 1 1 11 11 VAL HB H 1 1.922 0.039 . 1 . . . . 8 Val HB . 25417 1 95 . 1 1 11 11 VAL HG11 H 1 0.767 0.017 . 2 . . . . 8 Val HG11 . 25417 1 96 . 1 1 11 11 VAL HG12 H 1 0.767 0.017 . 2 . . . . 8 Val HG12 . 25417 1 97 . 1 1 11 11 VAL HG13 H 1 0.767 0.017 . 2 . . . . 8 Val HG13 . 25417 1 98 . 1 1 11 11 VAL HG21 H 1 0.700 0.020 . 2 . . . . 8 Val HG21 . 25417 1 99 . 1 1 11 11 VAL HG22 H 1 0.700 0.020 . 2 . . . . 8 Val HG22 . 25417 1 100 . 1 1 11 11 VAL HG23 H 1 0.700 0.020 . 2 . . . . 8 Val HG23 . 25417 1 101 . 1 1 11 11 VAL C C 13 176.235 0.000 . 1 . . . . 8 Val C . 25417 1 102 . 1 1 11 11 VAL CA C 13 60.714 0.143 . 1 . . . . 8 Val CA . 25417 1 103 . 1 1 11 11 VAL CB C 13 32.710 0.100 . 1 . . . . 8 Val CB . 25417 1 104 . 1 1 11 11 VAL CG2 C 13 21.365 0.040 . 1 . . . . 8 Val CG2 . 25417 1 105 . 1 1 11 11 VAL N N 15 127.320 0.040 . 1 . . . . 8 Val N . 25417 1 106 . 1 1 12 12 GLY H H 1 8.928 0.018 . 1 . . . . 9 Gly H . 25417 1 107 . 1 1 12 12 GLY HA2 H 1 3.992 0.009 . 2 . . . . 9 Gly HA2 . 25417 1 108 . 1 1 12 12 GLY HA3 H 1 3.574 0.019 . 2 . . . . 9 Gly HA3 . 25417 1 109 . 1 1 12 12 GLY C C 13 174.936 0.000 . 1 . . . . 9 Gly C . 25417 1 110 . 1 1 12 12 GLY CA C 13 47.718 0.040 . 1 . . . . 9 Gly CA . 25417 1 111 . 1 1 12 12 GLY N N 15 114.748 0.057 . 1 . . . . 9 Gly N . 25417 1 112 . 1 1 13 13 GLU H H 1 8.472 0.010 . 1 . . . . 10 Glu H . 25417 1 113 . 1 1 13 13 GLU HA H 1 4.213 0.023 . 1 . . . . 10 Glu HA . 25417 1 114 . 1 1 13 13 GLU HB2 H 1 1.424 0.019 . 2 . . . . 10 Glu HB2 . 25417 1 115 . 1 1 13 13 GLU HB3 H 1 2.033 0.015 . 2 . . . . 10 Glu HB3 . 25417 1 116 . 1 1 13 13 GLU C C 13 175.980 0.000 . 1 . . . . 10 Glu C . 25417 1 117 . 1 1 13 13 GLU CA C 13 56.386 0.028 . 1 . . . . 10 Glu CA . 25417 1 118 . 1 1 13 13 GLU CB C 13 30.731 0.001 . 1 . . . . 10 Glu CB . 25417 1 119 . 1 1 13 13 GLU N N 15 126.096 0.068 . 1 . . . . 10 Glu N . 25417 1 120 . 1 1 14 14 TRP H H 1 8.349 0.017 . 1 . . . . 11 Trp H . 25417 1 121 . 1 1 14 14 TRP HA H 1 4.667 0.026 . 1 . . . . 11 Trp HA . 25417 1 122 . 1 1 14 14 TRP HB2 H 1 2.744 0.007 . 2 . . . . 11 Trp HB2 . 25417 1 123 . 1 1 14 14 TRP HB3 H 1 3.189 0.028 . 2 . . . . 11 Trp HB3 . 25417 1 124 . 1 1 14 14 TRP HD1 H 1 7.237 0.016 . 1 . . . . 11 Trp HD1 . 25417 1 125 . 1 1 14 14 TRP HE1 H 1 9.872 0.013 . 1 . . . . 11 Trp HE1 . 25417 1 126 . 1 1 14 14 TRP HE3 H 1 7.089 0.001 . 1 . . . . 11 Trp HE3 . 25417 1 127 . 1 1 14 14 TRP HZ2 H 1 7.430 0.033 . 1 . . . . 11 Trp HZ2 . 25417 1 128 . 1 1 14 14 TRP HZ3 H 1 6.995 0.000 . 1 . . . . 11 Trp HZ3 . 25417 1 129 . 1 1 14 14 TRP HH2 H 1 7.093 0.021 . 1 . . . . 11 Trp HH2 . 25417 1 130 . 1 1 14 14 TRP C C 13 175.944 0.000 . 1 . . . . 11 Trp C . 25417 1 131 . 1 1 14 14 TRP CA C 13 56.715 0.026 . 1 . . . . 11 Trp CA . 25417 1 132 . 1 1 14 14 TRP CB C 13 30.201 0.022 . 1 . . . . 11 Trp CB . 25417 1 133 . 1 1 14 14 TRP CD1 C 13 127.792 0.018 . 1 . . . . 11 Trp CD1 . 25417 1 134 . 1 1 14 14 TRP CE3 C 13 117.963 0.038 . 1 . . . . 11 Trp CE3 . 25417 1 135 . 1 1 14 14 TRP CZ2 C 13 114.673 0.024 . 1 . . . . 11 Trp CZ2 . 25417 1 136 . 1 1 14 14 TRP CH2 C 13 122.136 0.000 . 1 . . . . 11 Trp CH2 . 25417 1 137 . 1 1 14 14 TRP N N 15 119.306 0.057 . 1 . . . . 11 Trp N . 25417 1 138 . 1 1 14 14 TRP NE1 N 15 127.632 0.049 . 1 . . . . 11 Trp NE1 . 25417 1 139 . 1 1 15 15 LEU H H 1 9.675 0.012 . 1 . . . . 12 Leu H . 25417 1 140 . 1 1 15 15 LEU HA H 1 4.684 0.019 . 1 . . . . 12 Leu HA . 25417 1 141 . 1 1 15 15 LEU HB2 H 1 1.426 0.002 . 2 . . . . 12 Leu HB2 . 25417 1 142 . 1 1 15 15 LEU HB3 H 1 2.067 0.003 . 2 . . . . 12 Leu HB3 . 25417 1 143 . 1 1 15 15 LEU HG H 1 0.863 0.000 . 1 . . . . 12 Leu HG . 25417 1 144 . 1 1 15 15 LEU HD11 H 1 0.363 0.048 . 2 . . . . 12 Leu HD11 . 25417 1 145 . 1 1 15 15 LEU HD12 H 1 0.363 0.048 . 2 . . . . 12 Leu HD12 . 25417 1 146 . 1 1 15 15 LEU HD13 H 1 0.363 0.048 . 2 . . . . 12 Leu HD13 . 25417 1 147 . 1 1 15 15 LEU HD21 H 1 -0.229 0.000 . 2 . . . . 12 Leu HD21 . 25417 1 148 . 1 1 15 15 LEU HD22 H 1 -0.229 0.000 . 2 . . . . 12 Leu HD22 . 25417 1 149 . 1 1 15 15 LEU HD23 H 1 -0.229 0.000 . 2 . . . . 12 Leu HD23 . 25417 1 150 . 1 1 15 15 LEU C C 13 177.986 0.000 . 1 . . . . 12 Leu C . 25417 1 151 . 1 1 15 15 LEU CA C 13 54.214 0.077 . 1 . . . . 12 Leu CA . 25417 1 152 . 1 1 15 15 LEU CB C 13 42.543 0.080 . 1 . . . . 12 Leu CB . 25417 1 153 . 1 1 15 15 LEU N N 15 124.487 0.057 . 1 . . . . 12 Leu N . 25417 1 154 . 1 1 16 16 VAL H H 1 8.268 0.033 . 1 . . . . 13 Val H . 25417 1 155 . 1 1 16 16 VAL HA H 1 3.949 0.023 . 1 . . . . 13 Val HA . 25417 1 156 . 1 1 16 16 VAL HB H 1 2.287 0.049 . 1 . . . . 13 Val HB . 25417 1 157 . 1 1 16 16 VAL HG11 H 1 0.781 0.000 . 2 . . . . 13 Val HG11 . 25417 1 158 . 1 1 16 16 VAL HG12 H 1 0.781 0.000 . 2 . . . . 13 Val HG12 . 25417 1 159 . 1 1 16 16 VAL HG13 H 1 0.781 0.000 . 2 . . . . 13 Val HG13 . 25417 1 160 . 1 1 16 16 VAL HG21 H 1 1.249 0.035 . 2 . . . . 13 Val HG21 . 25417 1 161 . 1 1 16 16 VAL HG22 H 1 1.249 0.035 . 2 . . . . 13 Val HG22 . 25417 1 162 . 1 1 16 16 VAL HG23 H 1 1.249 0.035 . 2 . . . . 13 Val HG23 . 25417 1 163 . 1 1 16 16 VAL CA C 13 65.704 0.000 . 1 . . . . 13 Val CA . 25417 1 164 . 1 1 16 16 VAL CB C 13 32.071 0.058 . 1 . . . . 13 Val CB . 25417 1 165 . 1 1 16 16 VAL N N 15 120.044 0.124 . 1 . . . . 13 Val N . 25417 1 166 . 1 1 17 17 THR H H 1 8.714 0.012 . 1 . . . . 14 Thr H . 25417 1 167 . 1 1 17 17 THR HA H 1 4.006 0.042 . 1 . . . . 14 Thr HA . 25417 1 168 . 1 1 17 17 THR HB H 1 3.714 0.031 . 1 . . . . 14 Thr HB . 25417 1 169 . 1 1 17 17 THR HG21 H 1 0.720 0.000 . 1 . . . . 14 Thr HG21 . 25417 1 170 . 1 1 17 17 THR HG22 H 1 0.720 0.000 . 1 . . . . 14 Thr HG22 . 25417 1 171 . 1 1 17 17 THR HG23 H 1 0.720 0.000 . 1 . . . . 14 Thr HG23 . 25417 1 172 . 1 1 17 17 THR C C 13 179.268 0.000 . 1 . . . . 14 Thr C . 25417 1 173 . 1 1 17 17 THR CA C 13 60.805 0.062 . 1 . . . . 14 Thr CA . 25417 1 174 . 1 1 17 17 THR CB C 13 62.447 0.193 . 1 . . . . 14 Thr CB . 25417 1 175 . 1 1 17 17 THR N N 15 112.126 0.047 . 1 . . . . 14 Thr N . 25417 1 176 . 1 1 18 18 PRO HA H 1 4.918 0.000 . 1 . . . . 15 Pro HA . 25417 1 177 . 1 1 18 18 PRO HD2 H 1 3.983 0.000 . 1 . . . . 15 Pro HD2 . 25417 1 178 . 1 1 18 18 PRO CD C 13 51.652 0.000 . 1 . . . . 15 Pro CD . 25417 1 179 . 1 1 19 19 SER H H 1 7.472 0.029 . 1 . . . . 16 Ser H . 25417 1 180 . 1 1 19 19 SER HA H 1 4.127 0.012 . 1 . . . . 16 Ser HA . 25417 1 181 . 1 1 19 19 SER HB2 H 1 4.570 0.000 . 2 . . . . 16 Ser HB2 . 25417 1 182 . 1 1 19 19 SER HB3 H 1 4.670 0.000 . 2 . . . . 16 Ser HB3 . 25417 1 183 . 1 1 19 19 SER CA C 13 57.311 0.000 . 1 . . . . 16 Ser CA . 25417 1 184 . 1 1 19 19 SER CB C 13 63.829 0.000 . 1 . . . . 16 Ser CB . 25417 1 185 . 1 1 19 19 SER N N 15 117.943 0.178 . 1 . . . . 16 Ser N . 25417 1 186 . 1 1 20 20 ILE H H 1 6.676 0.011 . 1 . . . . 17 Ile H . 25417 1 187 . 1 1 20 20 ILE HA H 1 4.569 0.019 . 1 . . . . 17 Ile HA . 25417 1 188 . 1 1 20 20 ILE HB H 1 2.128 0.002 . 1 . . . . 17 Ile HB . 25417 1 189 . 1 1 20 20 ILE HG12 H 1 1.084 0.030 . 2 . . . . 17 Ile HG12 . 25417 1 190 . 1 1 20 20 ILE HG13 H 1 0.709 0.000 . 2 . . . . 17 Ile HG13 . 25417 1 191 . 1 1 20 20 ILE HG21 H 1 0.788 0.000 . 1 . . . . 17 Ile HG21 . 25417 1 192 . 1 1 20 20 ILE HG22 H 1 0.788 0.000 . 1 . . . . 17 Ile HG22 . 25417 1 193 . 1 1 20 20 ILE HG23 H 1 0.788 0.000 . 1 . . . . 17 Ile HG23 . 25417 1 194 . 1 1 20 20 ILE HD11 H 1 0.750 0.009 . 1 . . . . 17 Ile HD11 . 25417 1 195 . 1 1 20 20 ILE HD12 H 1 0.750 0.009 . 1 . . . . 17 Ile HD12 . 25417 1 196 . 1 1 20 20 ILE HD13 H 1 0.750 0.009 . 1 . . . . 17 Ile HD13 . 25417 1 197 . 1 1 20 20 ILE C C 13 175.028 0.000 . 1 . . . . 17 Ile C . 25417 1 198 . 1 1 20 20 ILE CA C 13 60.464 0.085 . 1 . . . . 17 Ile CA . 25417 1 199 . 1 1 20 20 ILE CB C 13 37.680 0.051 . 1 . . . . 17 Ile CB . 25417 1 200 . 1 1 20 20 ILE CG1 C 13 26.092 0.023 . 1 . . . . 17 Ile CG1 . 25417 1 201 . 1 1 20 20 ILE CG2 C 13 17.203 0.000 . 1 . . . . 17 Ile CG2 . 25417 1 202 . 1 1 20 20 ILE CD1 C 13 13.298 0.037 . 1 . . . . 17 Ile CD1 . 25417 1 203 . 1 1 20 20 ILE N N 15 110.850 0.071 . 1 . . . . 17 Ile N . 25417 1 204 . 1 1 21 21 ASN H H 1 7.867 0.015 . 1 . . . . 18 Asn H . 25417 1 205 . 1 1 21 21 ASN HA H 1 3.992 0.020 . 1 . . . . 18 Asn HA . 25417 1 206 . 1 1 21 21 ASN HB2 H 1 2.826 0.010 . 2 . . . . 18 Asn HB2 . 25417 1 207 . 1 1 21 21 ASN HB3 H 1 3.368 0.014 . 2 . . . . 18 Asn HB3 . 25417 1 208 . 1 1 21 21 ASN HD21 H 1 7.145 0.196 . 1 . . . . 18 Asn HD21 . 25417 1 209 . 1 1 21 21 ASN HD22 H 1 7.203 0.004 . 1 . . . . 18 Asn HD22 . 25417 1 210 . 1 1 21 21 ASN C C 13 172.440 0.000 . 1 . . . . 18 Asn C . 25417 1 211 . 1 1 21 21 ASN CA C 13 55.645 0.036 . 1 . . . . 18 Asn CA . 25417 1 212 . 1 1 21 21 ASN CB C 13 36.912 0.020 . 1 . . . . 18 Asn CB . 25417 1 213 . 1 1 21 21 ASN N N 15 117.289 0.062 . 1 . . . . 18 Asn N . 25417 1 214 . 1 1 21 21 ASN ND2 N 15 112.157 0.033 . 1 . . . . 18 Asn ND2 . 25417 1 215 . 1 1 22 22 GLN H H 1 7.157 0.022 . 1 . . . . 19 Gln H . 25417 1 216 . 1 1 22 22 GLN HA H 1 5.483 0.005 . 1 . . . . 19 Gln HA . 25417 1 217 . 1 1 22 22 GLN HB2 H 1 1.705 0.008 . 2 . . . . 19 Gln HB2 . 25417 1 218 . 1 1 22 22 GLN HB3 H 1 2.171 0.049 . 2 . . . . 19 Gln HB3 . 25417 1 219 . 1 1 22 22 GLN HE21 H 1 6.802 0.135 . 1 . . . . 19 Gln HE21 . 25417 1 220 . 1 1 22 22 GLN HE22 H 1 7.415 0.294 . 1 . . . . 19 Gln HE22 . 25417 1 221 . 1 1 22 22 GLN C C 13 175.831 0.000 . 1 . . . . 19 Gln C . 25417 1 222 . 1 1 22 22 GLN CA C 13 54.562 0.067 . 1 . . . . 19 Gln CA . 25417 1 223 . 1 1 22 22 GLN CB C 13 35.750 0.155 . 1 . . . . 19 Gln CB . 25417 1 224 . 1 1 22 22 GLN N N 15 114.219 0.058 . 1 . . . . 19 Gln N . 25417 1 225 . 1 1 22 22 GLN NE2 N 15 112.138 0.062 . 1 . . . . 19 Gln NE2 . 25417 1 226 . 1 1 23 23 ILE H H 1 8.608 0.011 . 1 . . . . 20 Ile H . 25417 1 227 . 1 1 23 23 ILE HA H 1 5.546 0.025 . 1 . . . . 20 Ile HA . 25417 1 228 . 1 1 23 23 ILE HB H 1 1.678 0.040 . 1 . . . . 20 Ile HB . 25417 1 229 . 1 1 23 23 ILE HG12 H 1 1.327 0.025 . 1 . . . . 20 Ile HG12 . 25417 1 230 . 1 1 23 23 ILE HG21 H 1 0.542 0.026 . 1 . . . . 20 Ile HG21 . 25417 1 231 . 1 1 23 23 ILE HG22 H 1 0.542 0.026 . 1 . . . . 20 Ile HG22 . 25417 1 232 . 1 1 23 23 ILE HG23 H 1 0.542 0.026 . 1 . . . . 20 Ile HG23 . 25417 1 233 . 1 1 23 23 ILE HD11 H 1 -0.659 0.015 . 1 . . . . 20 Ile HD11 . 25417 1 234 . 1 1 23 23 ILE HD12 H 1 -0.659 0.015 . 1 . . . . 20 Ile HD12 . 25417 1 235 . 1 1 23 23 ILE HD13 H 1 -0.659 0.015 . 1 . . . . 20 Ile HD13 . 25417 1 236 . 1 1 23 23 ILE C C 13 175.402 0.000 . 1 . . . . 20 Ile C . 25417 1 237 . 1 1 23 23 ILE CA C 13 59.426 0.025 . 1 . . . . 20 Ile CA . 25417 1 238 . 1 1 23 23 ILE CB C 13 40.055 0.035 . 1 . . . . 20 Ile CB . 25417 1 239 . 1 1 23 23 ILE CG1 C 13 25.457 0.000 . 1 . . . . 20 Ile CG1 . 25417 1 240 . 1 1 23 23 ILE CG2 C 13 18.548 0.000 . 1 . . . . 20 Ile CG2 . 25417 1 241 . 1 1 23 23 ILE CD1 C 13 11.649 0.057 . 1 . . . . 20 Ile CD1 . 25417 1 242 . 1 1 23 23 ILE N N 15 116.768 0.061 . 1 . . . . 20 Ile N . 25417 1 243 . 1 1 24 24 SER H H 1 9.314 0.015 . 1 . . . . 21 Ser H . 25417 1 244 . 1 1 24 24 SER HA H 1 5.892 0.007 . 1 . . . . 21 Ser HA . 25417 1 245 . 1 1 24 24 SER HB2 H 1 3.729 0.008 . 2 . . . . 21 Ser HB2 . 25417 1 246 . 1 1 24 24 SER HB3 H 1 3.741 0.005 . 2 . . . . 21 Ser HB3 . 25417 1 247 . 1 1 24 24 SER C C 13 173.606 0.000 . 1 . . . . 21 Ser C . 25417 1 248 . 1 1 24 24 SER CA C 13 56.584 0.059 . 1 . . . . 21 Ser CA . 25417 1 249 . 1 1 24 24 SER CB C 13 66.471 0.019 . 1 . . . . 21 Ser CB . 25417 1 250 . 1 1 24 24 SER N N 15 116.801 0.058 . 1 . . . . 21 Ser N . 25417 1 251 . 1 1 25 25 ARG H H 1 8.535 0.010 . 1 . . . . 22 Arg H . 25417 1 252 . 1 1 25 25 ARG HA H 1 4.372 0.002 . 1 . . . . 22 Arg HA . 25417 1 253 . 1 1 25 25 ARG HB2 H 1 1.940 0.000 . 2 . . . . 22 Arg HB2 . 25417 1 254 . 1 1 25 25 ARG HB3 H 1 1.646 0.000 . 2 . . . . 22 Arg HB3 . 25417 1 255 . 1 1 25 25 ARG HG2 H 1 0.748 0.000 . 1 . . . . 22 Arg HG2 . 25417 1 256 . 1 1 25 25 ARG HD2 H 1 3.624 0.000 . 1 . . . . 22 Arg HD2 . 25417 1 257 . 1 1 25 25 ARG HE H 1 6.274 0.017 . 1 . . . . 22 Arg HE . 25417 1 258 . 1 1 25 25 ARG C C 13 176.186 0.000 . 1 . . . . 22 Arg C . 25417 1 259 . 1 1 25 25 ARG CA C 13 55.786 0.000 . 1 . . . . 22 Arg CA . 25417 1 260 . 1 1 25 25 ARG CB C 13 30.812 0.000 . 1 . . . . 22 Arg CB . 25417 1 261 . 1 1 25 25 ARG N N 15 124.060 0.064 . 1 . . . . 22 Arg N . 25417 1 262 . 1 1 25 25 ARG NE N 15 84.781 0.009 . 1 . . . . 22 Arg NE . 25417 1 263 . 1 1 26 26 ASN H H 1 7.964 0.199 . 1 . . . . 23 Asn H . 25417 1 264 . 1 1 26 26 ASN HA H 1 4.271 0.000 . 1 . . . . 23 Asn HA . 25417 1 265 . 1 1 26 26 ASN HB2 H 1 2.904 0.011 . 2 . . . . 23 Asn HB2 . 25417 1 266 . 1 1 26 26 ASN HB3 H 1 2.619 0.004 . 2 . . . . 23 Asn HB3 . 25417 1 267 . 1 1 26 26 ASN HD21 H 1 7.420 0.033 . 1 . . . . 23 Asn HD21 . 25417 1 268 . 1 1 26 26 ASN HD22 H 1 6.845 0.010 . 1 . . . . 23 Asn HD22 . 25417 1 269 . 1 1 26 26 ASN CA C 13 54.456 0.028 . 1 . . . . 23 Asn CA . 25417 1 270 . 1 1 26 26 ASN CB C 13 37.168 0.006 . 1 . . . . 23 Asn CB . 25417 1 271 . 1 1 26 26 ASN N N 15 117.802 0.338 . 1 . . . . 23 Asn N . 25417 1 272 . 1 1 26 26 ASN ND2 N 15 112.511 0.067 . 1 . . . . 23 Asn ND2 . 25417 1 273 . 1 1 27 27 GLY H H 1 8.630 0.008 . 1 . . . . 24 Gly H . 25417 1 274 . 1 1 27 27 GLY HA2 H 1 4.090 0.035 . 2 . . . . 24 Gly HA2 . 25417 1 275 . 1 1 27 27 GLY HA3 H 1 3.560 0.006 . 2 . . . . 24 Gly HA3 . 25417 1 276 . 1 1 27 27 GLY C C 13 173.967 0.000 . 1 . . . . 24 Gly C . 25417 1 277 . 1 1 27 27 GLY CA C 13 45.383 0.003 . 1 . . . . 24 Gly CA . 25417 1 278 . 1 1 27 27 GLY N N 15 106.767 0.068 . 1 . . . . 24 Gly N . 25417 1 279 . 1 1 28 28 ARG H H 1 7.894 0.014 . 1 . . . . 25 Arg H . 25417 1 280 . 1 1 28 28 ARG HA H 1 4.457 0.008 . 1 . . . . 25 Arg HA . 25417 1 281 . 1 1 28 28 ARG HB2 H 1 1.784 0.015 . 2 . . . . 25 Arg HB2 . 25417 1 282 . 1 1 28 28 ARG HB3 H 1 1.895 0.029 . 2 . . . . 25 Arg HB3 . 25417 1 283 . 1 1 28 28 ARG HD2 H 1 3.184 0.025 . 1 . . . . 25 Arg HD2 . 25417 1 284 . 1 1 28 28 ARG C C 13 174.992 0.000 . 1 . . . . 25 Arg C . 25417 1 285 . 1 1 28 28 ARG CA C 13 55.086 0.020 . 1 . . . . 25 Arg CA . 25417 1 286 . 1 1 28 28 ARG CB C 13 31.024 0.143 . 1 . . . . 25 Arg CB . 25417 1 287 . 1 1 28 28 ARG CG C 13 26.036 0.000 . 1 . . . . 25 Arg CG . 25417 1 288 . 1 1 28 28 ARG CD C 13 42.890 0.000 . 1 . . . . 25 Arg CD . 25417 1 289 . 1 1 28 28 ARG N N 15 122.693 0.072 . 1 . . . . 25 Arg N . 25417 1 290 . 1 1 29 29 GLN H H 1 7.903 0.846 . 1 . . . . 26 Gln H . 25417 1 291 . 1 1 29 29 GLN HA H 1 5.050 0.016 . 1 . . . . 26 Gln HA . 25417 1 292 . 1 1 29 29 GLN HB2 H 1 1.790 0.018 . 2 . . . . 26 Gln HB2 . 25417 1 293 . 1 1 29 29 GLN HB3 H 1 2.000 0.062 . 2 . . . . 26 Gln HB3 . 25417 1 294 . 1 1 29 29 GLN HE21 H 1 7.329 0.007 . 1 . . . . 26 Gln HE21 . 25417 1 295 . 1 1 29 29 GLN HE22 H 1 6.556 0.005 . 1 . . . . 26 Gln HE22 . 25417 1 296 . 1 1 29 29 GLN C C 13 175.046 0.000 . 1 . . . . 26 Gln C . 25417 1 297 . 1 1 29 29 GLN CA C 13 55.007 0.030 . 1 . . . . 26 Gln CA . 25417 1 298 . 1 1 29 29 GLN CB C 13 31.050 0.103 . 1 . . . . 26 Gln CB . 25417 1 299 . 1 1 29 29 GLN N N 15 123.512 0.115 . 1 . . . . 26 Gln N . 25417 1 300 . 1 1 29 29 GLN NE2 N 15 110.817 0.036 . 1 . . . . 26 Gln NE2 . 25417 1 301 . 1 1 30 30 LEU H H 1 9.161 0.008 . 1 . . . . 27 Leu H . 25417 1 302 . 1 1 30 30 LEU HA H 1 4.697 0.026 . 1 . . . . 27 Leu HA . 25417 1 303 . 1 1 30 30 LEU HB2 H 1 1.383 0.006 . 2 . . . . 27 Leu HB2 . 25417 1 304 . 1 1 30 30 LEU HB3 H 1 1.311 0.015 . 2 . . . . 27 Leu HB3 . 25417 1 305 . 1 1 30 30 LEU HG H 1 1.464 0.017 . 1 . . . . 27 Leu HG . 25417 1 306 . 1 1 30 30 LEU HD11 H 1 0.570 0.037 . 2 . . . . 27 Leu HD11 . 25417 1 307 . 1 1 30 30 LEU HD12 H 1 0.570 0.037 . 2 . . . . 27 Leu HD12 . 25417 1 308 . 1 1 30 30 LEU HD13 H 1 0.570 0.037 . 2 . . . . 27 Leu HD13 . 25417 1 309 . 1 1 30 30 LEU HD21 H 1 0.807 0.000 . 2 . . . . 27 Leu HD21 . 25417 1 310 . 1 1 30 30 LEU HD22 H 1 0.807 0.000 . 2 . . . . 27 Leu HD22 . 25417 1 311 . 1 1 30 30 LEU HD23 H 1 0.807 0.000 . 2 . . . . 27 Leu HD23 . 25417 1 312 . 1 1 30 30 LEU C C 13 175.806 0.000 . 1 . . . . 27 Leu C . 25417 1 313 . 1 1 30 30 LEU CA C 13 54.336 0.032 . 1 . . . . 27 Leu CA . 25417 1 314 . 1 1 30 30 LEU CB C 13 45.016 0.010 . 1 . . . . 27 Leu CB . 25417 1 315 . 1 1 30 30 LEU CG C 13 27.317 0.062 . 1 . . . . 27 Leu CG . 25417 1 316 . 1 1 30 30 LEU N N 15 124.653 0.118 . 1 . . . . 27 Leu N . 25417 1 317 . 1 1 31 31 THR H H 1 8.418 0.009 . 1 . . . . 28 Thr H . 25417 1 318 . 1 1 31 31 THR HA H 1 4.924 0.016 . 1 . . . . 28 Thr HA . 25417 1 319 . 1 1 31 31 THR HB H 1 3.932 0.028 . 1 . . . . 28 Thr HB . 25417 1 320 . 1 1 31 31 THR HG1 H 1 5.481 0.002 . 1 . . . . 28 Thr HG1 . 25417 1 321 . 1 1 31 31 THR HG21 H 1 1.183 0.016 . 1 . . . . 28 Thr HG21 . 25417 1 322 . 1 1 31 31 THR HG22 H 1 1.183 0.016 . 1 . . . . 28 Thr HG22 . 25417 1 323 . 1 1 31 31 THR HG23 H 1 1.183 0.016 . 1 . . . . 28 Thr HG23 . 25417 1 324 . 1 1 31 31 THR C C 13 174.802 0.000 . 1 . . . . 28 Thr C . 25417 1 325 . 1 1 31 31 THR CA C 13 61.521 0.007 . 1 . . . . 28 Thr CA . 25417 1 326 . 1 1 31 31 THR CB C 13 69.604 0.005 . 1 . . . . 28 Thr CB . 25417 1 327 . 1 1 31 31 THR CG2 C 13 21.625 0.000 . 1 . . . . 28 Thr CG2 . 25417 1 328 . 1 1 31 31 THR N N 15 118.382 0.039 . 1 . . . . 28 Thr N . 25417 1 329 . 1 1 32 32 LEU H H 1 8.432 0.013 . 1 . . . . 29 Leu H . 25417 1 330 . 1 1 32 32 LEU HA H 1 4.632 0.017 . 1 . . . . 29 Leu HA . 25417 1 331 . 1 1 32 32 LEU HB2 H 1 1.246 0.004 . 2 . . . . 29 Leu HB2 . 25417 1 332 . 1 1 32 32 LEU HB3 H 1 1.435 0.007 . 2 . . . . 29 Leu HB3 . 25417 1 333 . 1 1 32 32 LEU HD11 H 1 0.543 0.031 . 1 . . . . 29 Leu HD11 . 25417 1 334 . 1 1 32 32 LEU HD12 H 1 0.543 0.031 . 1 . . . . 29 Leu HD12 . 25417 1 335 . 1 1 32 32 LEU HD13 H 1 0.543 0.031 . 1 . . . . 29 Leu HD13 . 25417 1 336 . 1 1 32 32 LEU C C 13 176.531 0.000 . 1 . . . . 29 Leu C . 25417 1 337 . 1 1 32 32 LEU CA C 13 52.254 0.021 . 1 . . . . 29 Leu CA . 25417 1 338 . 1 1 32 32 LEU CB C 13 44.939 0.044 . 1 . . . . 29 Leu CB . 25417 1 339 . 1 1 32 32 LEU CD1 C 13 22.860 0.049 . 1 . . . . 29 Leu CD1 . 25417 1 340 . 1 1 32 32 LEU N N 15 126.692 0.102 . 1 . . . . 29 Leu N . 25417 1 341 . 1 1 33 33 GLU H H 1 7.997 0.008 . 1 . . . . 30 Glu H . 25417 1 342 . 1 1 33 33 GLU HA H 1 4.294 0.006 . 1 . . . . 30 Glu HA . 25417 1 343 . 1 1 33 33 GLU HB2 H 1 1.843 0.020 . 2 . . . . 30 Glu HB2 . 25417 1 344 . 1 1 33 33 GLU HB3 H 1 2.075 0.025 . 2 . . . . 30 Glu HB3 . 25417 1 345 . 1 1 33 33 GLU HG2 H 1 2.780 0.000 . 1 . . . . 30 Glu HG2 . 25417 1 346 . 1 1 33 33 GLU C C 13 176.486 0.000 . 1 . . . . 30 Glu C . 25417 1 347 . 1 1 33 33 GLU CA C 13 54.957 0.015 . 1 . . . . 30 Glu CA . 25417 1 348 . 1 1 33 33 GLU CB C 13 29.096 0.068 . 1 . . . . 30 Glu CB . 25417 1 349 . 1 1 33 33 GLU N N 15 120.538 0.070 . 1 . . . . 30 Glu N . 25417 1 350 . 1 1 34 34 PRO HA H 1 3.921 0.000 . 1 . . . . 31 Pro HA . 25417 1 351 . 1 1 34 34 PRO HB2 H 1 2.336 0.000 . 2 . . . . 31 Pro HB2 . 25417 1 352 . 1 1 34 34 PRO HB3 H 1 2.294 0.012 . 2 . . . . 31 Pro HB3 . 25417 1 353 . 1 1 34 34 PRO HD2 H 1 3.517 0.000 . 2 . . . . 31 Pro HD2 . 25417 1 354 . 1 1 34 34 PRO HD3 H 1 3.845 0.000 . 2 . . . . 31 Pro HD3 . 25417 1 355 . 1 1 34 34 PRO CA C 13 65.826 0.000 . 1 . . . . 31 Pro CA . 25417 1 356 . 1 1 34 34 PRO CB C 13 31.930 0.000 . 1 . . . . 31 Pro CB . 25417 1 357 . 1 1 34 34 PRO CD C 13 50.261 0.013 . 1 . . . . 31 Pro CD . 25417 1 358 . 1 1 35 35 ARG H H 1 8.408 0.011 . 1 . . . . 32 Arg H . 25417 1 359 . 1 1 35 35 ARG HA H 1 3.824 0.010 . 1 . . . . 32 Arg HA . 25417 1 360 . 1 1 35 35 ARG HB2 H 1 1.466 0.030 . 2 . . . . 32 Arg HB2 . 25417 1 361 . 1 1 35 35 ARG HB3 H 1 1.789 0.015 . 2 . . . . 32 Arg HB3 . 25417 1 362 . 1 1 35 35 ARG HD2 H 1 3.128 0.008 . 1 . . . . 32 Arg HD2 . 25417 1 363 . 1 1 35 35 ARG HE H 1 6.787 0.038 . 1 . . . . 32 Arg HE . 25417 1 364 . 1 1 35 35 ARG C C 13 178.782 0.000 . 1 . . . . 32 Arg C . 25417 1 365 . 1 1 35 35 ARG CA C 13 57.588 0.012 . 1 . . . . 32 Arg CA . 25417 1 366 . 1 1 35 35 ARG CB C 13 28.755 0.082 . 1 . . . . 32 Arg CB . 25417 1 367 . 1 1 35 35 ARG CG C 13 27.407 0.000 . 1 . . . . 32 Arg CG . 25417 1 368 . 1 1 35 35 ARG CD C 13 43.936 0.069 . 1 . . . . 32 Arg CD . 25417 1 369 . 1 1 35 35 ARG N N 15 114.962 0.075 . 1 . . . . 32 Arg N . 25417 1 370 . 1 1 35 35 ARG NE N 15 83.650 0.023 . 1 . . . . 32 Arg NE . 25417 1 371 . 1 1 36 36 LEU H H 1 7.367 0.015 . 1 . . . . 33 Leu H . 25417 1 372 . 1 1 36 36 LEU HA H 1 3.924 0.023 . 1 . . . . 33 Leu HA . 25417 1 373 . 1 1 36 36 LEU HB2 H 1 1.228 0.023 . 2 . . . . 33 Leu HB2 . 25417 1 374 . 1 1 36 36 LEU HB3 H 1 1.949 0.018 . 2 . . . . 33 Leu HB3 . 25417 1 375 . 1 1 36 36 LEU HG H 1 0.841 0.009 . 1 . . . . 33 Leu HG . 25417 1 376 . 1 1 36 36 LEU HD11 H 1 0.509 0.008 . 1 . . . . 33 Leu HD11 . 25417 1 377 . 1 1 36 36 LEU HD12 H 1 0.509 0.008 . 1 . . . . 33 Leu HD12 . 25417 1 378 . 1 1 36 36 LEU HD13 H 1 0.509 0.008 . 1 . . . . 33 Leu HD13 . 25417 1 379 . 1 1 36 36 LEU C C 13 178.811 0.000 . 1 . . . . 33 Leu C . 25417 1 380 . 1 1 36 36 LEU CA C 13 57.357 0.000 . 1 . . . . 33 Leu CA . 25417 1 381 . 1 1 36 36 LEU CB C 13 41.349 0.041 . 1 . . . . 33 Leu CB . 25417 1 382 . 1 1 36 36 LEU N N 15 115.048 0.085 . 1 . . . . 33 Leu N . 25417 1 383 . 1 1 37 37 ILE H H 1 6.991 0.012 . 1 . . . . 34 Ile H . 25417 1 384 . 1 1 37 37 ILE HA H 1 3.586 0.017 . 1 . . . . 34 Ile HA . 25417 1 385 . 1 1 37 37 ILE HB H 1 2.340 0.004 . 1 . . . . 34 Ile HB . 25417 1 386 . 1 1 37 37 ILE HG12 H 1 1.285 0.006 . 2 . . . . 34 Ile HG12 . 25417 1 387 . 1 1 37 37 ILE HG13 H 1 0.636 0.000 . 2 . . . . 34 Ile HG13 . 25417 1 388 . 1 1 37 37 ILE HG21 H 1 0.791 0.015 . 1 . . . . 34 Ile HG21 . 25417 1 389 . 1 1 37 37 ILE HG22 H 1 0.791 0.015 . 1 . . . . 34 Ile HG22 . 25417 1 390 . 1 1 37 37 ILE HG23 H 1 0.791 0.015 . 1 . . . . 34 Ile HG23 . 25417 1 391 . 1 1 37 37 ILE HD11 H 1 0.318 0.021 . 1 . . . . 34 Ile HD11 . 25417 1 392 . 1 1 37 37 ILE HD12 H 1 0.318 0.021 . 1 . . . . 34 Ile HD12 . 25417 1 393 . 1 1 37 37 ILE HD13 H 1 0.318 0.021 . 1 . . . . 34 Ile HD13 . 25417 1 394 . 1 1 37 37 ILE C C 13 177.822 0.000 . 1 . . . . 34 Ile C . 25417 1 395 . 1 1 37 37 ILE CA C 13 61.331 0.061 . 1 . . . . 34 Ile CA . 25417 1 396 . 1 1 37 37 ILE CB C 13 34.273 0.034 . 1 . . . . 34 Ile CB . 25417 1 397 . 1 1 37 37 ILE CG1 C 13 27.073 0.002 . 1 . . . . 34 Ile CG1 . 25417 1 398 . 1 1 37 37 ILE CG2 C 13 16.214 0.000 . 1 . . . . 34 Ile CG2 . 25417 1 399 . 1 1 37 37 ILE CD1 C 13 8.236 0.000 . 1 . . . . 34 Ile CD1 . 25417 1 400 . 1 1 37 37 ILE N N 15 120.364 0.034 . 1 . . . . 34 Ile N . 25417 1 401 . 1 1 38 38 ASP H H 1 8.258 0.013 . 1 . . . . 35 Asp H . 25417 1 402 . 1 1 38 38 ASP HA H 1 4.191 0.018 . 1 . . . . 35 Asp HA . 25417 1 403 . 1 1 38 38 ASP HB2 H 1 2.433 0.025 . 1 . . . . 35 Asp HB2 . 25417 1 404 . 1 1 38 38 ASP C C 13 179.949 0.000 . 1 . . . . 35 Asp C . 25417 1 405 . 1 1 38 38 ASP CA C 13 57.300 0.041 . 1 . . . . 35 Asp CA . 25417 1 406 . 1 1 38 38 ASP CB C 13 40.085 0.073 . 1 . . . . 35 Asp CB . 25417 1 407 . 1 1 38 38 ASP N N 15 119.921 0.065 . 1 . . . . 35 Asp N . 25417 1 408 . 1 1 39 39 LEU H H 1 7.908 0.021 . 1 . . . . 36 Leu H . 25417 1 409 . 1 1 39 39 LEU HA H 1 3.872 0.030 . 1 . . . . 36 Leu HA . 25417 1 410 . 1 1 39 39 LEU HB2 H 1 1.437 0.019 . 2 . . . . 36 Leu HB2 . 25417 1 411 . 1 1 39 39 LEU HB3 H 1 2.091 0.032 . 2 . . . . 36 Leu HB3 . 25417 1 412 . 1 1 39 39 LEU HG H 1 0.853 0.017 . 1 . . . . 36 Leu HG . 25417 1 413 . 1 1 39 39 LEU HD11 H 1 0.451 0.021 . 2 . . . . 36 Leu HD11 . 25417 1 414 . 1 1 39 39 LEU HD12 H 1 0.451 0.021 . 2 . . . . 36 Leu HD12 . 25417 1 415 . 1 1 39 39 LEU HD13 H 1 0.451 0.021 . 2 . . . . 36 Leu HD13 . 25417 1 416 . 1 1 39 39 LEU HD21 H 1 -0.224 0.006 . 2 . . . . 36 Leu HD21 . 25417 1 417 . 1 1 39 39 LEU HD22 H 1 -0.224 0.006 . 2 . . . . 36 Leu HD22 . 25417 1 418 . 1 1 39 39 LEU HD23 H 1 -0.224 0.006 . 2 . . . . 36 Leu HD23 . 25417 1 419 . 1 1 39 39 LEU C C 13 177.158 0.000 . 1 . . . . 36 Leu C . 25417 1 420 . 1 1 39 39 LEU CA C 13 57.730 0.084 . 1 . . . . 36 Leu CA . 25417 1 421 . 1 1 39 39 LEU CB C 13 42.356 0.021 . 1 . . . . 36 Leu CB . 25417 1 422 . 1 1 39 39 LEU CG C 13 25.973 0.000 . 1 . . . . 36 Leu CG . 25417 1 423 . 1 1 39 39 LEU CD1 C 13 24.631 0.000 . 1 . . . . 36 Leu CD1 . 25417 1 424 . 1 1 39 39 LEU N N 15 121.165 0.050 . 1 . . . . 36 Leu N . 25417 1 425 . 1 1 40 40 LEU H H 1 8.162 0.015 . 1 . . . . 37 Leu H . 25417 1 426 . 1 1 40 40 LEU HA H 1 4.078 0.040 . 1 . . . . 37 Leu HA . 25417 1 427 . 1 1 40 40 LEU HB2 H 1 1.580 0.026 . 2 . . . . 37 Leu HB2 . 25417 1 428 . 1 1 40 40 LEU HB3 H 1 1.551 0.000 . 2 . . . . 37 Leu HB3 . 25417 1 429 . 1 1 40 40 LEU HG H 1 0.781 0.009 . 1 . . . . 37 Leu HG . 25417 1 430 . 1 1 40 40 LEU C C 13 178.492 0.000 . 1 . . . . 37 Leu C . 25417 1 431 . 1 1 40 40 LEU CA C 13 58.177 0.023 . 1 . . . . 37 Leu CA . 25417 1 432 . 1 1 40 40 LEU CB C 13 41.988 0.039 . 1 . . . . 37 Leu CB . 25417 1 433 . 1 1 40 40 LEU N N 15 120.752 0.345 . 1 . . . . 37 Leu N . 25417 1 434 . 1 1 41 41 VAL H H 1 8.853 0.014 . 1 . . . . 38 Val H . 25417 1 435 . 1 1 41 41 VAL HA H 1 3.464 0.009 . 1 . . . . 38 Val HA . 25417 1 436 . 1 1 41 41 VAL HB H 1 2.184 0.006 . 1 . . . . 38 Val HB . 25417 1 437 . 1 1 41 41 VAL HG11 H 1 0.993 0.040 . 1 . . . . 38 Val HG11 . 25417 1 438 . 1 1 41 41 VAL HG12 H 1 0.993 0.040 . 1 . . . . 38 Val HG12 . 25417 1 439 . 1 1 41 41 VAL HG13 H 1 0.993 0.040 . 1 . . . . 38 Val HG13 . 25417 1 440 . 1 1 41 41 VAL C C 13 177.485 0.000 . 1 . . . . 38 Val C . 25417 1 441 . 1 1 41 41 VAL CA C 13 67.239 0.025 . 1 . . . . 38 Val CA . 25417 1 442 . 1 1 41 41 VAL CB C 13 31.402 0.047 . 1 . . . . 38 Val CB . 25417 1 443 . 1 1 41 41 VAL CG1 C 13 21.323 0.000 . 1 . . . . 38 Val CG1 . 25417 1 444 . 1 1 41 41 VAL N N 15 117.835 0.053 . 1 . . . . 38 Val N . 25417 1 445 . 1 1 42 42 PHE H H 1 8.091 0.016 . 1 . . . . 39 Phe H . 25417 1 446 . 1 1 42 42 PHE HA H 1 4.404 0.013 . 1 . . . . 39 Phe HA . 25417 1 447 . 1 1 42 42 PHE HB2 H 1 2.818 0.015 . 2 . . . . 39 Phe HB2 . 25417 1 448 . 1 1 42 42 PHE HB3 H 1 3.110 0.021 . 2 . . . . 39 Phe HB3 . 25417 1 449 . 1 1 42 42 PHE HD1 H 1 6.918 0.009 . 1 . . . . 39 Phe HD1 . 25417 1 450 . 1 1 42 42 PHE HD2 H 1 6.918 0.009 . 1 . . . . 39 Phe HD2 . 25417 1 451 . 1 1 42 42 PHE HE1 H 1 6.887 0.050 . 1 . . . . 39 Phe HE1 . 25417 1 452 . 1 1 42 42 PHE HE2 H 1 6.887 0.050 . 1 . . . . 39 Phe HE2 . 25417 1 453 . 1 1 42 42 PHE HZ H 1 6.926 0.010 . 1 . . . . 39 Phe HZ . 25417 1 454 . 1 1 42 42 PHE C C 13 179.239 0.000 . 1 . . . . 39 Phe C . 25417 1 455 . 1 1 42 42 PHE CA C 13 62.529 0.040 . 1 . . . . 39 Phe CA . 25417 1 456 . 1 1 42 42 PHE CB C 13 39.383 0.030 . 1 . . . . 39 Phe CB . 25417 1 457 . 1 1 42 42 PHE N N 15 121.187 0.059 . 1 . . . . 39 Phe N . 25417 1 458 . 1 1 43 43 PHE H H 1 8.451 0.014 . 1 . . . . 40 Phe H . 25417 1 459 . 1 1 43 43 PHE HA H 1 3.894 0.026 . 1 . . . . 40 Phe HA . 25417 1 460 . 1 1 43 43 PHE HB2 H 1 2.870 0.022 . 2 . . . . 40 Phe HB2 . 25417 1 461 . 1 1 43 43 PHE HB3 H 1 2.990 0.039 . 2 . . . . 40 Phe HB3 . 25417 1 462 . 1 1 43 43 PHE HD1 H 1 7.432 0.011 . 1 . . . . 40 Phe HD1 . 25417 1 463 . 1 1 43 43 PHE HD2 H 1 7.432 0.011 . 1 . . . . 40 Phe HD2 . 25417 1 464 . 1 1 43 43 PHE HE1 H 1 6.942 0.008 . 1 . . . . 40 Phe HE1 . 25417 1 465 . 1 1 43 43 PHE HE2 H 1 6.942 0.008 . 1 . . . . 40 Phe HE2 . 25417 1 466 . 1 1 43 43 PHE C C 13 179.021 0.000 . 1 . . . . 40 Phe C . 25417 1 467 . 1 1 43 43 PHE CA C 13 63.650 0.087 . 1 . . . . 40 Phe CA . 25417 1 468 . 1 1 43 43 PHE CB C 13 38.103 0.044 . 1 . . . . 40 Phe CB . 25417 1 469 . 1 1 43 43 PHE CD1 C 13 132.411 0.049 . 1 . . . . 40 Phe CD1 . 25417 1 470 . 1 1 43 43 PHE CD2 C 13 132.411 0.049 . 1 . . . . 40 Phe CD2 . 25417 1 471 . 1 1 43 43 PHE CE1 C 13 131.058 0.029 . 1 . . . . 40 Phe CE1 . 25417 1 472 . 1 1 43 43 PHE CE2 C 13 131.058 0.029 . 1 . . . . 40 Phe CE2 . 25417 1 473 . 1 1 43 43 PHE N N 15 116.946 0.082 . 1 . . . . 40 Phe N . 25417 1 474 . 1 1 44 44 ALA H H 1 8.465 0.013 . 1 . . . . 41 Ala H . 25417 1 475 . 1 1 44 44 ALA HA H 1 3.959 0.012 . 1 . . . . 41 Ala HA . 25417 1 476 . 1 1 44 44 ALA HB1 H 1 1.396 0.024 . 1 . . . . 41 Ala HB1 . 25417 1 477 . 1 1 44 44 ALA HB2 H 1 1.396 0.024 . 1 . . . . 41 Ala HB2 . 25417 1 478 . 1 1 44 44 ALA HB3 H 1 1.396 0.024 . 1 . . . . 41 Ala HB3 . 25417 1 479 . 1 1 44 44 ALA C C 13 180.604 0.000 . 1 . . . . 41 Ala C . 25417 1 480 . 1 1 44 44 ALA CA C 13 54.866 0.050 . 1 . . . . 41 Ala CA . 25417 1 481 . 1 1 44 44 ALA CB C 13 17.977 0.075 . 1 . . . . 41 Ala CB . 25417 1 482 . 1 1 44 44 ALA N N 15 119.106 0.051 . 1 . . . . 41 Ala N . 25417 1 483 . 1 1 45 45 GLN H H 1 8.553 0.023 . 1 . . . . 42 Gln H . 25417 1 484 . 1 1 45 45 GLN HA H 1 4.078 0.024 . 1 . . . . 42 Gln HA . 25417 1 485 . 1 1 45 45 GLN HB2 H 1 2.151 0.025 . 2 . . . . 42 Gln HB2 . 25417 1 486 . 1 1 45 45 GLN HB3 H 1 1.597 0.020 . 2 . . . . 42 Gln HB3 . 25417 1 487 . 1 1 45 45 GLN HG2 H 1 2.777 0.021 . 2 . . . . 42 Gln HG2 . 25417 1 488 . 1 1 45 45 GLN HG3 H 1 2.123 0.009 . 2 . . . . 42 Gln HG3 . 25417 1 489 . 1 1 45 45 GLN HE21 H 1 6.677 0.125 . 1 . . . . 42 Gln HE21 . 25417 1 490 . 1 1 45 45 GLN HE22 H 1 6.618 0.015 . 1 . . . . 42 Gln HE22 . 25417 1 491 . 1 1 45 45 GLN C C 13 176.251 0.000 . 1 . . . . 42 Gln C . 25417 1 492 . 1 1 45 45 GLN CA C 13 57.658 0.036 . 1 . . . . 42 Gln CA . 25417 1 493 . 1 1 45 45 GLN CB C 13 28.942 0.148 . 1 . . . . 42 Gln CB . 25417 1 494 . 1 1 45 45 GLN CG C 13 34.734 0.039 . 1 . . . . 42 Gln CG . 25417 1 495 . 1 1 45 45 GLN N N 15 118.635 0.030 . 1 . . . . 42 Gln N . 25417 1 496 . 1 1 45 45 GLN NE2 N 15 110.535 0.052 . 1 . . . . 42 Gln NE2 . 25417 1 497 . 1 1 46 46 HIS H H 1 7.622 0.013 . 1 . . . . 43 His H . 25417 1 498 . 1 1 46 46 HIS HA H 1 4.645 0.055 . 1 . . . . 43 His HA . 25417 1 499 . 1 1 46 46 HIS HB2 H 1 2.454 0.006 . 2 . . . . 43 His HB2 . 25417 1 500 . 1 1 46 46 HIS HB3 H 1 3.301 0.020 . 2 . . . . 43 His HB3 . 25417 1 501 . 1 1 46 46 HIS HD2 H 1 6.235 0.003 . 1 . . . . 43 His HD2 . 25417 1 502 . 1 1 46 46 HIS HE1 H 1 8.294 0.002 . 1 . . . . 43 His HE1 . 25417 1 503 . 1 1 46 46 HIS C C 13 175.827 0.000 . 1 . . . . 43 His C . 25417 1 504 . 1 1 46 46 HIS CA C 13 53.864 0.035 . 1 . . . . 43 His CA . 25417 1 505 . 1 1 46 46 HIS CB C 13 28.911 0.090 . 1 . . . . 43 His CB . 25417 1 506 . 1 1 46 46 HIS CD2 C 13 120.921 0.006 . 1 . . . . 43 His CD2 . 25417 1 507 . 1 1 46 46 HIS CE1 C 13 136.319 0.049 . 1 . . . . 43 His CE1 . 25417 1 508 . 1 1 46 46 HIS N N 15 118.350 0.074 . 1 . . . . 43 His N . 25417 1 509 . 1 1 47 47 SER H H 1 7.355 0.012 . 1 . . . . 44 Ser H . 25417 1 510 . 1 1 47 47 SER HA H 1 4.101 0.026 . 1 . . . . 44 Ser HA . 25417 1 511 . 1 1 47 47 SER HB2 H 1 3.955 0.026 . 2 . . . . 44 Ser HB2 . 25417 1 512 . 1 1 47 47 SER HB3 H 1 3.626 0.000 . 2 . . . . 44 Ser HB3 . 25417 1 513 . 1 1 47 47 SER C C 13 176.162 0.000 . 1 . . . . 44 Ser C . 25417 1 514 . 1 1 47 47 SER CA C 13 61.043 0.022 . 1 . . . . 44 Ser CA . 25417 1 515 . 1 1 47 47 SER CB C 13 63.001 0.058 . 1 . . . . 44 Ser CB . 25417 1 516 . 1 1 47 47 SER N N 15 116.644 0.086 . 1 . . . . 44 Ser N . 25417 1 517 . 1 1 48 48 GLY H H 1 8.098 0.030 . 1 . . . . 45 Gly H . 25417 1 518 . 1 1 48 48 GLY HA2 H 1 3.830 0.007 . 2 . . . . 45 Gly HA2 . 25417 1 519 . 1 1 48 48 GLY HA3 H 1 4.215 0.009 . 2 . . . . 45 Gly HA3 . 25417 1 520 . 1 1 48 48 GLY C C 13 173.811 0.000 . 1 . . . . 45 Gly C . 25417 1 521 . 1 1 48 48 GLY CA C 13 45.877 0.064 . 1 . . . . 45 Gly CA . 25417 1 522 . 1 1 48 48 GLY N N 15 112.277 0.139 . 1 . . . . 45 Gly N . 25417 1 523 . 1 1 49 49 GLU H H 1 7.821 0.014 . 1 . . . . 46 Glu H . 25417 1 524 . 1 1 49 49 GLU HA H 1 4.537 0.017 . 1 . . . . 46 Glu HA . 25417 1 525 . 1 1 49 49 GLU HB2 H 1 2.042 0.020 . 2 . . . . 46 Glu HB2 . 25417 1 526 . 1 1 49 49 GLU HB3 H 1 2.356 0.031 . 2 . . . . 46 Glu HB3 . 25417 1 527 . 1 1 49 49 GLU C C 13 175.959 0.000 . 1 . . . . 46 Glu C . 25417 1 528 . 1 1 49 49 GLU CA C 13 54.887 0.029 . 1 . . . . 46 Glu CA . 25417 1 529 . 1 1 49 49 GLU CB C 13 31.933 0.128 . 1 . . . . 46 Glu CB . 25417 1 530 . 1 1 49 49 GLU N N 15 119.515 0.063 . 1 . . . . 46 Glu N . 25417 1 531 . 1 1 50 50 VAL H H 1 8.634 0.011 . 1 . . . . 47 Val H . 25417 1 532 . 1 1 50 50 VAL HA H 1 4.101 0.035 . 1 . . . . 47 Val HA . 25417 1 533 . 1 1 50 50 VAL HB H 1 1.926 0.037 . 1 . . . . 47 Val HB . 25417 1 534 . 1 1 50 50 VAL HG11 H 1 0.575 0.011 . 2 . . . . 47 Val HG11 . 25417 1 535 . 1 1 50 50 VAL HG12 H 1 0.575 0.011 . 2 . . . . 47 Val HG12 . 25417 1 536 . 1 1 50 50 VAL HG13 H 1 0.575 0.011 . 2 . . . . 47 Val HG13 . 25417 1 537 . 1 1 50 50 VAL HG21 H 1 0.870 0.030 . 2 . . . . 47 Val HG21 . 25417 1 538 . 1 1 50 50 VAL HG22 H 1 0.870 0.030 . 2 . . . . 47 Val HG22 . 25417 1 539 . 1 1 50 50 VAL HG23 H 1 0.870 0.030 . 2 . . . . 47 Val HG23 . 25417 1 540 . 1 1 50 50 VAL C C 13 175.842 0.000 . 1 . . . . 47 Val C . 25417 1 541 . 1 1 50 50 VAL CA C 13 62.773 0.081 . 1 . . . . 47 Val CA . 25417 1 542 . 1 1 50 50 VAL CB C 13 31.274 0.075 . 1 . . . . 47 Val CB . 25417 1 543 . 1 1 50 50 VAL CG2 C 13 22.402 0.000 . 1 . . . . 47 Val CG2 . 25417 1 544 . 1 1 50 50 VAL N N 15 121.871 0.129 . 1 . . . . 47 Val N . 25417 1 545 . 1 1 51 51 LEU H H 1 9.347 0.016 . 1 . . . . 48 Leu H . 25417 1 546 . 1 1 51 51 LEU HA H 1 4.803 0.011 . 1 . . . . 48 Leu HA . 25417 1 547 . 1 1 51 51 LEU HB2 H 1 1.070 0.024 . 2 . . . . 48 Leu HB2 . 25417 1 548 . 1 1 51 51 LEU HB3 H 1 1.751 0.025 . 2 . . . . 48 Leu HB3 . 25417 1 549 . 1 1 51 51 LEU HG H 1 0.527 0.000 . 1 . . . . 48 Leu HG . 25417 1 550 . 1 1 51 51 LEU HD11 H 1 0.477 0.020 . 2 . . . . 48 Leu HD11 . 25417 1 551 . 1 1 51 51 LEU HD12 H 1 0.477 0.020 . 2 . . . . 48 Leu HD12 . 25417 1 552 . 1 1 51 51 LEU HD13 H 1 0.477 0.020 . 2 . . . . 48 Leu HD13 . 25417 1 553 . 1 1 51 51 LEU HD21 H 1 -0.574 0.007 . 2 . . . . 48 Leu HD21 . 25417 1 554 . 1 1 51 51 LEU HD22 H 1 -0.574 0.007 . 2 . . . . 48 Leu HD22 . 25417 1 555 . 1 1 51 51 LEU HD23 H 1 -0.574 0.007 . 2 . . . . 48 Leu HD23 . 25417 1 556 . 1 1 51 51 LEU C C 13 176.444 0.000 . 1 . . . . 48 Leu C . 25417 1 557 . 1 1 51 51 LEU CA C 13 53.100 0.032 . 1 . . . . 48 Leu CA . 25417 1 558 . 1 1 51 51 LEU CB C 13 44.380 0.023 . 1 . . . . 48 Leu CB . 25417 1 559 . 1 1 51 51 LEU CD1 C 13 26.062 0.000 . 2 . . . . 48 Leu CD1 . 25417 1 560 . 1 1 51 51 LEU CD2 C 13 20.537 0.022 . 2 . . . . 48 Leu CD2 . 25417 1 561 . 1 1 51 51 LEU N N 15 131.080 0.194 . 1 . . . . 48 Leu N . 25417 1 562 . 1 1 52 52 SER H H 1 9.150 0.046 . 1 . . . . 49 Ser H . 25417 1 563 . 1 1 52 52 SER HA H 1 4.830 0.032 . 1 . . . . 49 Ser HA . 25417 1 564 . 1 1 52 52 SER HB2 H 1 4.396 0.010 . 2 . . . . 49 Ser HB2 . 25417 1 565 . 1 1 52 52 SER HB3 H 1 4.105 0.006 . 2 . . . . 49 Ser HB3 . 25417 1 566 . 1 1 52 52 SER C C 13 175.608 0.000 . 1 . . . . 49 Ser C . 25417 1 567 . 1 1 52 52 SER CA C 13 56.882 0.087 . 1 . . . . 49 Ser CA . 25417 1 568 . 1 1 52 52 SER CB C 13 66.045 0.024 . 1 . . . . 49 Ser CB . 25417 1 569 . 1 1 52 52 SER N N 15 119.490 0.049 . 1 . . . . 49 Ser N . 25417 1 570 . 1 1 53 53 ARG H H 1 9.231 0.021 . 1 . . . . 50 Arg H . 25417 1 571 . 1 1 53 53 ARG HA H 1 3.940 0.033 . 1 . . . . 50 Arg HA . 25417 1 572 . 1 1 53 53 ARG HB2 H 1 1.968 0.028 . 2 . . . . 50 Arg HB2 . 25417 1 573 . 1 1 53 53 ARG HB3 H 1 1.880 0.033 . 2 . . . . 50 Arg HB3 . 25417 1 574 . 1 1 53 53 ARG HG2 H 1 0.807 0.039 . 2 . . . . 50 Arg HG2 . 25417 1 575 . 1 1 53 53 ARG HG3 H 1 0.849 0.000 . 2 . . . . 50 Arg HG3 . 25417 1 576 . 1 1 53 53 ARG HD2 H 1 3.161 0.005 . 1 . . . . 50 Arg HD2 . 25417 1 577 . 1 1 53 53 ARG C C 13 178.241 0.000 . 1 . . . . 50 Arg C . 25417 1 578 . 1 1 53 53 ARG CA C 13 60.662 0.089 . 1 . . . . 50 Arg CA . 25417 1 579 . 1 1 53 53 ARG CB C 13 29.596 0.015 . 1 . . . . 50 Arg CB . 25417 1 580 . 1 1 53 53 ARG N N 15 120.080 0.114 . 1 . . . . 50 Arg N . 25417 1 581 . 1 1 54 54 ASP H H 1 8.193 0.009 . 1 . . . . 51 Asp H . 25417 1 582 . 1 1 54 54 ASP HA H 1 4.276 0.011 . 1 . . . . 51 Asp HA . 25417 1 583 . 1 1 54 54 ASP HB2 H 1 2.583 0.030 . 2 . . . . 51 Asp HB2 . 25417 1 584 . 1 1 54 54 ASP HB3 H 1 2.483 0.028 . 2 . . . . 51 Asp HB3 . 25417 1 585 . 1 1 54 54 ASP C C 13 178.328 0.000 . 1 . . . . 51 Asp C . 25417 1 586 . 1 1 54 54 ASP CA C 13 57.640 0.045 . 1 . . . . 51 Asp CA . 25417 1 587 . 1 1 54 54 ASP CB C 13 40.183 0.041 . 1 . . . . 51 Asp CB . 25417 1 588 . 1 1 54 54 ASP N N 15 116.455 0.052 . 1 . . . . 51 Asp N . 25417 1 589 . 1 1 55 55 GLU H H 1 7.832 0.008 . 1 . . . . 52 Glu H . 25417 1 590 . 1 1 55 55 GLU HA H 1 4.062 0.020 . 1 . . . . 52 Glu HA . 25417 1 591 . 1 1 55 55 GLU HB2 H 1 2.329 0.017 . 1 . . . . 52 Glu HB2 . 25417 1 592 . 1 1 55 55 GLU C C 13 180.807 0.000 . 1 . . . . 52 Glu C . 25417 1 593 . 1 1 55 55 GLU CA C 13 59.330 0.023 . 1 . . . . 52 Glu CA . 25417 1 594 . 1 1 55 55 GLU CB C 13 29.933 0.043 . 1 . . . . 52 Glu CB . 25417 1 595 . 1 1 55 55 GLU N N 15 120.123 0.110 . 1 . . . . 52 Glu N . 25417 1 596 . 1 1 56 56 LEU H H 1 8.070 0.024 . 1 . . . . 53 Leu H . 25417 1 597 . 1 1 56 56 LEU HA H 1 3.789 0.037 . 1 . . . . 53 Leu HA . 25417 1 598 . 1 1 56 56 LEU HB2 H 1 1.282 0.010 . 2 . . . . 53 Leu HB2 . 25417 1 599 . 1 1 56 56 LEU HB3 H 1 2.259 0.035 . 2 . . . . 53 Leu HB3 . 25417 1 600 . 1 1 56 56 LEU HG H 1 1.934 0.019 . 1 . . . . 53 Leu HG . 25417 1 601 . 1 1 56 56 LEU HD11 H 1 0.514 0.018 . 2 . . . . 53 Leu HD11 . 25417 1 602 . 1 1 56 56 LEU HD12 H 1 0.514 0.018 . 2 . . . . 53 Leu HD12 . 25417 1 603 . 1 1 56 56 LEU HD13 H 1 0.514 0.018 . 2 . . . . 53 Leu HD13 . 25417 1 604 . 1 1 56 56 LEU HD21 H 1 0.188 0.022 . 2 . . . . 53 Leu HD21 . 25417 1 605 . 1 1 56 56 LEU HD22 H 1 0.188 0.022 . 2 . . . . 53 Leu HD22 . 25417 1 606 . 1 1 56 56 LEU HD23 H 1 0.188 0.022 . 2 . . . . 53 Leu HD23 . 25417 1 607 . 1 1 56 56 LEU C C 13 179.894 0.000 . 1 . . . . 53 Leu C . 25417 1 608 . 1 1 56 56 LEU CA C 13 58.583 0.019 . 1 . . . . 53 Leu CA . 25417 1 609 . 1 1 56 56 LEU CB C 13 41.831 0.013 . 1 . . . . 53 Leu CB . 25417 1 610 . 1 1 56 56 LEU CD1 C 13 23.093 0.000 . 2 . . . . 53 Leu CD1 . 25417 1 611 . 1 1 56 56 LEU CD2 C 13 21.658 0.038 . 2 . . . . 53 Leu CD2 . 25417 1 612 . 1 1 56 56 LEU N N 15 119.989 0.194 . 1 . . . . 53 Leu N . 25417 1 613 . 1 1 57 57 ILE H H 1 8.640 0.025 . 1 . . . . 54 Ile H . 25417 1 614 . 1 1 57 57 ILE HA H 1 3.847 0.033 . 1 . . . . 54 Ile HA . 25417 1 615 . 1 1 57 57 ILE HB H 1 1.879 0.014 . 1 . . . . 54 Ile HB . 25417 1 616 . 1 1 57 57 ILE HG12 H 1 1.613 0.024 . 2 . . . . 54 Ile HG12 . 25417 1 617 . 1 1 57 57 ILE HG13 H 1 0.794 0.013 . 2 . . . . 54 Ile HG13 . 25417 1 618 . 1 1 57 57 ILE HG21 H 1 0.285 0.000 . 1 . . . . 54 Ile HG21 . 25417 1 619 . 1 1 57 57 ILE HG22 H 1 0.285 0.000 . 1 . . . . 54 Ile HG22 . 25417 1 620 . 1 1 57 57 ILE HG23 H 1 0.285 0.000 . 1 . . . . 54 Ile HG23 . 25417 1 621 . 1 1 57 57 ILE HD11 H 1 0.562 0.039 . 1 . . . . 54 Ile HD11 . 25417 1 622 . 1 1 57 57 ILE HD12 H 1 0.562 0.039 . 1 . . . . 54 Ile HD12 . 25417 1 623 . 1 1 57 57 ILE HD13 H 1 0.562 0.039 . 1 . . . . 54 Ile HD13 . 25417 1 624 . 1 1 57 57 ILE C C 13 178.773 0.000 . 1 . . . . 54 Ile C . 25417 1 625 . 1 1 57 57 ILE CA C 13 66.688 0.102 . 1 . . . . 54 Ile CA . 25417 1 626 . 1 1 57 57 ILE CB C 13 37.837 0.033 . 1 . . . . 54 Ile CB . 25417 1 627 . 1 1 57 57 ILE CG1 C 13 26.842 0.006 . 1 . . . . 54 Ile CG1 . 25417 1 628 . 1 1 57 57 ILE CG2 C 13 18.196 0.000 . 1 . . . . 54 Ile CG2 . 25417 1 629 . 1 1 57 57 ILE CD1 C 13 13.116 0.000 . 1 . . . . 54 Ile CD1 . 25417 1 630 . 1 1 57 57 ILE N N 15 121.685 0.166 . 1 . . . . 54 Ile N . 25417 1 631 . 1 1 58 58 ASP H H 1 8.199 0.016 . 1 . . . . 55 Asp H . 25417 1 632 . 1 1 58 58 ASP HA H 1 4.237 0.019 . 1 . . . . 55 Asp HA . 25417 1 633 . 1 1 58 58 ASP HB2 H 1 2.494 0.031 . 2 . . . . 55 Asp HB2 . 25417 1 634 . 1 1 58 58 ASP HB3 H 1 2.511 0.014 . 2 . . . . 55 Asp HB3 . 25417 1 635 . 1 1 58 58 ASP C C 13 177.551 0.000 . 1 . . . . 55 Asp C . 25417 1 636 . 1 1 58 58 ASP CA C 13 57.216 0.045 . 1 . . . . 55 Asp CA . 25417 1 637 . 1 1 58 58 ASP CB C 13 40.877 0.009 . 1 . . . . 55 Asp CB . 25417 1 638 . 1 1 58 58 ASP N N 15 117.239 0.059 . 1 . . . . 55 Asp N . 25417 1 639 . 1 1 59 59 ASN H H 1 7.255 0.016 . 1 . . . . 56 Asn H . 25417 1 640 . 1 1 59 59 ASN HA H 1 4.379 0.016 . 1 . . . . 56 Asn HA . 25417 1 641 . 1 1 59 59 ASN HB2 H 1 1.689 0.023 . 2 . . . . 56 Asn HB2 . 25417 1 642 . 1 1 59 59 ASN HB3 H 1 1.629 0.000 . 2 . . . . 56 Asn HB3 . 25417 1 643 . 1 1 59 59 ASN HD21 H 1 7.336 0.007 . 1 . . . . 56 Asn HD21 . 25417 1 644 . 1 1 59 59 ASN HD22 H 1 6.914 0.000 . 1 . . . . 56 Asn HD22 . 25417 1 645 . 1 1 59 59 ASN C C 13 175.570 0.000 . 1 . . . . 56 Asn C . 25417 1 646 . 1 1 59 59 ASN CA C 13 55.488 0.093 . 1 . . . . 56 Asn CA . 25417 1 647 . 1 1 59 59 ASN CB C 13 41.453 0.154 . 1 . . . . 56 Asn CB . 25417 1 648 . 1 1 59 59 ASN N N 15 111.805 0.042 . 1 . . . . 56 Asn N . 25417 1 649 . 1 1 59 59 ASN ND2 N 15 112.524 0.072 . 1 . . . . 56 Asn ND2 . 25417 1 650 . 1 1 60 60 VAL H H 1 8.091 0.012 . 1 . . . . 57 Val H . 25417 1 651 . 1 1 60 60 VAL HA H 1 3.579 0.011 . 1 . . . . 57 Val HA . 25417 1 652 . 1 1 60 60 VAL HB H 1 1.865 0.027 . 1 . . . . 57 Val HB . 25417 1 653 . 1 1 60 60 VAL HG11 H 1 0.367 0.014 . 2 . . . . 57 Val HG11 . 25417 1 654 . 1 1 60 60 VAL HG12 H 1 0.367 0.014 . 2 . . . . 57 Val HG12 . 25417 1 655 . 1 1 60 60 VAL HG13 H 1 0.367 0.014 . 2 . . . . 57 Val HG13 . 25417 1 656 . 1 1 60 60 VAL HG21 H 1 -0.234 0.009 . 2 . . . . 57 Val HG21 . 25417 1 657 . 1 1 60 60 VAL HG22 H 1 -0.234 0.009 . 2 . . . . 57 Val HG22 . 25417 1 658 . 1 1 60 60 VAL HG23 H 1 -0.234 0.009 . 2 . . . . 57 Val HG23 . 25417 1 659 . 1 1 60 60 VAL C C 13 176.354 0.000 . 1 . . . . 57 Val C . 25417 1 660 . 1 1 60 60 VAL CA C 13 64.069 0.065 . 1 . . . . 57 Val CA . 25417 1 661 . 1 1 60 60 VAL CB C 13 30.466 0.033 . 1 . . . . 57 Val CB . 25417 1 662 . 1 1 60 60 VAL CG2 C 13 20.462 0.000 . 1 . . . . 57 Val CG2 . 25417 1 663 . 1 1 60 60 VAL N N 15 118.954 0.064 . 1 . . . . 57 Val N . 25417 1 664 . 1 1 61 61 TRP H H 1 7.349 0.013 . 1 . . . . 58 Trp H . 25417 1 665 . 1 1 61 61 TRP HA H 1 4.391 0.014 . 1 . . . . 58 Trp HA . 25417 1 666 . 1 1 61 61 TRP HB2 H 1 3.165 0.038 . 2 . . . . 58 Trp HB2 . 25417 1 667 . 1 1 61 61 TRP HB3 H 1 3.331 0.025 . 2 . . . . 58 Trp HB3 . 25417 1 668 . 1 1 61 61 TRP HD1 H 1 7.094 0.016 . 1 . . . . 58 Trp HD1 . 25417 1 669 . 1 1 61 61 TRP HE1 H 1 10.212 0.010 . 1 . . . . 58 Trp HE1 . 25417 1 670 . 1 1 61 61 TRP HE3 H 1 7.327 0.104 . 1 . . . . 58 Trp HE3 . 25417 1 671 . 1 1 61 61 TRP HZ2 H 1 7.302 0.014 . 1 . . . . 58 Trp HZ2 . 25417 1 672 . 1 1 61 61 TRP HZ3 H 1 6.548 0.035 . 1 . . . . 58 Trp HZ3 . 25417 1 673 . 1 1 61 61 TRP HH2 H 1 6.865 0.000 . 1 . . . . 58 Trp HH2 . 25417 1 674 . 1 1 61 61 TRP C C 13 176.404 0.000 . 1 . . . . 58 Trp C . 25417 1 675 . 1 1 61 61 TRP CA C 13 61.069 0.074 . 1 . . . . 58 Trp CA . 25417 1 676 . 1 1 61 61 TRP CB C 13 29.148 0.058 . 1 . . . . 58 Trp CB . 25417 1 677 . 1 1 61 61 TRP CD1 C 13 126.925 0.004 . 1 . . . . 58 Trp CD1 . 25417 1 678 . 1 1 61 61 TRP CE3 C 13 120.541 0.025 . 1 . . . . 58 Trp CE3 . 25417 1 679 . 1 1 61 61 TRP CZ2 C 13 114.435 0.132 . 1 . . . . 58 Trp CZ2 . 25417 1 680 . 1 1 61 61 TRP N N 15 119.623 0.099 . 1 . . . . 58 Trp N . 25417 1 681 . 1 1 61 61 TRP NE1 N 15 129.950 0.076 . 1 . . . . 58 Trp NE1 . 25417 1 682 . 1 1 62 62 LYS H H 1 7.173 0.017 . 1 . . . . 59 Lys H . 25417 1 683 . 1 1 62 62 LYS HA H 1 3.949 0.037 . 1 . . . . 59 Lys HA . 25417 1 684 . 1 1 62 62 LYS HB2 H 1 1.730 0.039 . 2 . . . . 59 Lys HB2 . 25417 1 685 . 1 1 62 62 LYS HB3 H 1 1.808 0.020 . 2 . . . . 59 Lys HB3 . 25417 1 686 . 1 1 62 62 LYS HG2 H 1 1.193 0.011 . 2 . . . . 59 Lys HG2 . 25417 1 687 . 1 1 62 62 LYS HG3 H 1 1.497 0.000 . 2 . . . . 59 Lys HG3 . 25417 1 688 . 1 1 62 62 LYS C C 13 177.127 0.000 . 1 . . . . 59 Lys C . 25417 1 689 . 1 1 62 62 LYS CA C 13 57.590 0.086 . 1 . . . . 59 Lys CA . 25417 1 690 . 1 1 62 62 LYS CB C 13 30.370 0.088 . 1 . . . . 59 Lys CB . 25417 1 691 . 1 1 62 62 LYS CG C 13 24.692 0.058 . 1 . . . . 59 Lys CG . 25417 1 692 . 1 1 62 62 LYS N N 15 116.670 0.057 . 1 . . . . 59 Lys N . 25417 1 693 . 1 1 63 63 ARG H H 1 8.365 0.023 . 1 . . . . 60 Arg H . 25417 1 694 . 1 1 63 63 ARG HA H 1 3.985 0.007 . 1 . . . . 60 Arg HA . 25417 1 695 . 1 1 63 63 ARG HB2 H 1 1.874 0.033 . 2 . . . . 60 Arg HB2 . 25417 1 696 . 1 1 63 63 ARG HB3 H 1 1.952 0.000 . 2 . . . . 60 Arg HB3 . 25417 1 697 . 1 1 63 63 ARG HG2 H 1 1.608 0.000 . 2 . . . . 60 Arg HG2 . 25417 1 698 . 1 1 63 63 ARG HG3 H 1 1.423 0.000 . 2 . . . . 60 Arg HG3 . 25417 1 699 . 1 1 63 63 ARG C C 13 176.189 0.000 . 1 . . . . 60 Arg C . 25417 1 700 . 1 1 63 63 ARG CA C 13 57.158 0.025 . 1 . . . . 60 Arg CA . 25417 1 701 . 1 1 63 63 ARG CB C 13 28.709 0.094 . 1 . . . . 60 Arg CB . 25417 1 702 . 1 1 63 63 ARG N N 15 115.660 0.120 . 1 . . . . 60 Arg N . 25417 1 703 . 1 1 64 64 SER H H 1 7.808 0.015 . 1 . . . . 61 Ser H . 25417 1 704 . 1 1 64 64 SER HA H 1 4.526 0.045 . 1 . . . . 61 Ser HA . 25417 1 705 . 1 1 64 64 SER HB2 H 1 3.888 0.015 . 2 . . . . 61 Ser HB2 . 25417 1 706 . 1 1 64 64 SER HB3 H 1 3.825 0.015 . 2 . . . . 61 Ser HB3 . 25417 1 707 . 1 1 64 64 SER C C 13 173.606 0.000 . 1 . . . . 61 Ser C . 25417 1 708 . 1 1 64 64 SER CA C 13 58.283 0.033 . 1 . . . . 61 Ser CA . 25417 1 709 . 1 1 64 64 SER CB C 13 64.368 0.059 . 1 . . . . 61 Ser CB . 25417 1 710 . 1 1 64 64 SER N N 15 114.894 0.057 . 1 . . . . 61 Ser N . 25417 1 711 . 1 1 65 65 ILE H H 1 8.042 0.025 . 1 . . . . 62 Ile H . 25417 1 712 . 1 1 65 65 ILE HA H 1 4.093 0.010 . 1 . . . . 62 Ile HA . 25417 1 713 . 1 1 65 65 ILE HB H 1 1.736 0.006 . 1 . . . . 62 Ile HB . 25417 1 714 . 1 1 65 65 ILE HG12 H 1 1.409 0.002 . 2 . . . . 62 Ile HG12 . 25417 1 715 . 1 1 65 65 ILE HG13 H 1 1.087 0.009 . 2 . . . . 62 Ile HG13 . 25417 1 716 . 1 1 65 65 ILE HG21 H 1 0.739 0.000 . 1 . . . . 62 Ile HG21 . 25417 1 717 . 1 1 65 65 ILE HG22 H 1 0.739 0.000 . 1 . . . . 62 Ile HG22 . 25417 1 718 . 1 1 65 65 ILE HG23 H 1 0.739 0.000 . 1 . . . . 62 Ile HG23 . 25417 1 719 . 1 1 65 65 ILE HD11 H 1 0.719 0.020 . 1 . . . . 62 Ile HD11 . 25417 1 720 . 1 1 65 65 ILE HD12 H 1 0.719 0.020 . 1 . . . . 62 Ile HD12 . 25417 1 721 . 1 1 65 65 ILE HD13 H 1 0.719 0.020 . 1 . . . . 62 Ile HD13 . 25417 1 722 . 1 1 65 65 ILE C C 13 176.225 0.000 . 1 . . . . 62 Ile C . 25417 1 723 . 1 1 65 65 ILE CA C 13 61.238 0.047 . 1 . . . . 62 Ile CA . 25417 1 724 . 1 1 65 65 ILE CB C 13 37.650 0.047 . 1 . . . . 62 Ile CB . 25417 1 725 . 1 1 65 65 ILE CG1 C 13 27.148 0.002 . 1 . . . . 62 Ile CG1 . 25417 1 726 . 1 1 65 65 ILE CG2 C 13 17.365 0.000 . 1 . . . . 62 Ile CG2 . 25417 1 727 . 1 1 65 65 ILE CD1 C 13 12.457 0.000 . 1 . . . . 62 Ile CD1 . 25417 1 728 . 1 1 65 65 ILE N N 15 121.725 0.119 . 1 . . . . 62 Ile N . 25417 1 729 . 1 1 66 66 VAL H H 1 7.952 0.033 . 1 . . . . 63 Val H . 25417 1 730 . 1 1 66 66 VAL HA H 1 4.282 0.011 . 1 . . . . 63 Val HA . 25417 1 731 . 1 1 66 66 VAL HB H 1 1.699 0.023 . 1 . . . . 63 Val HB . 25417 1 732 . 1 1 66 66 VAL HG11 H 1 0.309 0.043 . 2 . . . . 63 Val HG11 . 25417 1 733 . 1 1 66 66 VAL HG12 H 1 0.309 0.043 . 2 . . . . 63 Val HG12 . 25417 1 734 . 1 1 66 66 VAL HG13 H 1 0.309 0.043 . 2 . . . . 63 Val HG13 . 25417 1 735 . 1 1 66 66 VAL HG21 H 1 0.510 0.033 . 2 . . . . 63 Val HG21 . 25417 1 736 . 1 1 66 66 VAL HG22 H 1 0.510 0.033 . 2 . . . . 63 Val HG22 . 25417 1 737 . 1 1 66 66 VAL HG23 H 1 0.510 0.033 . 2 . . . . 63 Val HG23 . 25417 1 738 . 1 1 66 66 VAL C C 13 174.856 0.000 . 1 . . . . 63 Val C . 25417 1 739 . 1 1 66 66 VAL CA C 13 60.749 0.016 . 1 . . . . 63 Val CA . 25417 1 740 . 1 1 66 66 VAL CB C 13 34.067 0.010 . 1 . . . . 63 Val CB . 25417 1 741 . 1 1 66 66 VAL CG1 C 13 19.873 0.000 . 2 . . . . 63 Val CG1 . 25417 1 742 . 1 1 66 66 VAL CG2 C 13 20.459 0.000 . 2 . . . . 63 Val CG2 . 25417 1 743 . 1 1 66 66 VAL N N 15 123.463 0.327 . 1 . . . . 63 Val N . 25417 1 744 . 1 1 67 67 THR H H 1 7.076 0.012 . 1 . . . . 64 Thr H . 25417 1 745 . 1 1 67 67 THR HA H 1 4.363 0.023 . 1 . . . . 64 Thr HA . 25417 1 746 . 1 1 67 67 THR HB H 1 4.448 0.023 . 1 . . . . 64 Thr HB . 25417 1 747 . 1 1 67 67 THR HG1 H 1 0.347 0.000 . 1 . . . . 64 Thr HG1 . 25417 1 748 . 1 1 67 67 THR HG21 H 1 1.167 0.012 . 1 . . . . 64 Thr HG21 . 25417 1 749 . 1 1 67 67 THR HG22 H 1 1.167 0.012 . 1 . . . . 64 Thr HG22 . 25417 1 750 . 1 1 67 67 THR HG23 H 1 1.167 0.012 . 1 . . . . 64 Thr HG23 . 25417 1 751 . 1 1 67 67 THR C C 13 175.417 0.000 . 1 . . . . 64 Thr C . 25417 1 752 . 1 1 67 67 THR CA C 13 59.935 0.026 . 1 . . . . 64 Thr CA . 25417 1 753 . 1 1 67 67 THR CB C 13 71.102 0.009 . 1 . . . . 64 Thr CB . 25417 1 754 . 1 1 67 67 THR CG2 C 13 21.576 0.000 . 1 . . . . 64 Thr CG2 . 25417 1 755 . 1 1 67 67 THR N N 15 112.628 0.126 . 1 . . . . 64 Thr N . 25417 1 756 . 1 1 68 68 ASN HB2 H 1 2.134 0.000 . 2 . . . . 65 Asn HB2 . 25417 1 757 . 1 1 68 68 ASN HB3 H 1 1.826 0.000 . 2 . . . . 65 Asn HB3 . 25417 1 758 . 1 1 68 68 ASN HD21 H 1 6.654 0.005 . 1 . . . . 65 Asn HD21 . 25417 1 759 . 1 1 68 68 ASN HD22 H 1 7.198 0.007 . 1 . . . . 65 Asn HD22 . 25417 1 760 . 1 1 68 68 ASN ND2 N 15 110.468 0.043 . 1 . . . . 65 Asn ND2 . 25417 1 761 . 1 1 69 69 HIS H H 1 8.538 0.039 . 1 . . . . 66 His H . 25417 1 762 . 1 1 69 69 HIS HA H 1 4.357 0.010 . 1 . . . . 66 His HA . 25417 1 763 . 1 1 69 69 HIS HB2 H 1 3.052 0.022 . 2 . . . . 66 His HB2 . 25417 1 764 . 1 1 69 69 HIS HB3 H 1 2.977 0.005 . 2 . . . . 66 His HB3 . 25417 1 765 . 1 1 69 69 HIS HE1 H 1 7.702 0.005 . 1 . . . . 66 His HE1 . 25417 1 766 . 1 1 69 69 HIS CA C 13 58.855 0.000 . 1 . . . . 66 His CA . 25417 1 767 . 1 1 69 69 HIS CB C 13 30.208 0.036 . 1 . . . . 66 His CB . 25417 1 768 . 1 1 69 69 HIS CE1 C 13 138.658 0.030 . 1 . . . . 66 His CE1 . 25417 1 769 . 1 1 70 70 VAL H H 1 7.226 0.034 . 1 . . . . 67 Val H . 25417 1 770 . 1 1 70 70 VAL HA H 1 3.592 0.013 . 1 . . . . 67 Val HA . 25417 1 771 . 1 1 70 70 VAL HB H 1 1.818 0.013 . 1 . . . . 67 Val HB . 25417 1 772 . 1 1 70 70 VAL HG11 H 1 0.805 0.022 . 2 . . . . 67 Val HG11 . 25417 1 773 . 1 1 70 70 VAL HG12 H 1 0.805 0.022 . 2 . . . . 67 Val HG12 . 25417 1 774 . 1 1 70 70 VAL HG13 H 1 0.805 0.022 . 2 . . . . 67 Val HG13 . 25417 1 775 . 1 1 70 70 VAL HG21 H 1 0.666 0.038 . 2 . . . . 67 Val HG21 . 25417 1 776 . 1 1 70 70 VAL HG22 H 1 0.666 0.038 . 2 . . . . 67 Val HG22 . 25417 1 777 . 1 1 70 70 VAL HG23 H 1 0.666 0.038 . 2 . . . . 67 Val HG23 . 25417 1 778 . 1 1 70 70 VAL C C 13 179.323 0.000 . 1 . . . . 67 Val C . 25417 1 779 . 1 1 70 70 VAL CA C 13 65.813 0.052 . 1 . . . . 67 Val CA . 25417 1 780 . 1 1 70 70 VAL CB C 13 31.144 0.000 . 1 . . . . 67 Val CB . 25417 1 781 . 1 1 70 70 VAL CG2 C 13 20.681 0.000 . 1 . . . . 67 Val CG2 . 25417 1 782 . 1 1 70 70 VAL N N 15 118.945 0.075 . 1 . . . . 67 Val N . 25417 1 783 . 1 1 71 71 VAL H H 1 7.258 0.053 . 1 . . . . 68 Val H . 25417 1 784 . 1 1 71 71 VAL HA H 1 3.222 0.021 . 1 . . . . 68 Val HA . 25417 1 785 . 1 1 71 71 VAL HB H 1 1.972 0.017 . 1 . . . . 68 Val HB . 25417 1 786 . 1 1 71 71 VAL HG11 H 1 0.749 0.021 . 2 . . . . 68 Val HG11 . 25417 1 787 . 1 1 71 71 VAL HG12 H 1 0.749 0.021 . 2 . . . . 68 Val HG12 . 25417 1 788 . 1 1 71 71 VAL HG13 H 1 0.749 0.021 . 2 . . . . 68 Val HG13 . 25417 1 789 . 1 1 71 71 VAL HG21 H 1 0.205 0.008 . 2 . . . . 68 Val HG21 . 25417 1 790 . 1 1 71 71 VAL HG22 H 1 0.205 0.008 . 2 . . . . 68 Val HG22 . 25417 1 791 . 1 1 71 71 VAL HG23 H 1 0.205 0.008 . 2 . . . . 68 Val HG23 . 25417 1 792 . 1 1 71 71 VAL C C 13 177.833 0.000 . 1 . . . . 68 Val C . 25417 1 793 . 1 1 71 71 VAL CA C 13 66.770 0.027 . 1 . . . . 68 Val CA . 25417 1 794 . 1 1 71 71 VAL CB C 13 31.064 0.003 . 1 . . . . 68 Val CB . 25417 1 795 . 1 1 71 71 VAL CG1 C 13 21.375 0.003 . 2 . . . . 68 Val CG1 . 25417 1 796 . 1 1 71 71 VAL CG2 C 13 21.331 0.000 . 2 . . . . 68 Val CG2 . 25417 1 797 . 1 1 71 71 VAL N N 15 122.385 0.118 . 1 . . . . 68 Val N . 25417 1 798 . 1 1 72 72 THR H H 1 8.000 0.031 . 1 . . . . 69 Thr H . 25417 1 799 . 1 1 72 72 THR HA H 1 3.657 0.007 . 1 . . . . 69 Thr HA . 25417 1 800 . 1 1 72 72 THR HB H 1 4.186 0.014 . 1 . . . . 69 Thr HB . 25417 1 801 . 1 1 72 72 THR HG21 H 1 1.228 0.027 . 1 . . . . 69 Thr HG21 . 25417 1 802 . 1 1 72 72 THR HG22 H 1 1.228 0.027 . 1 . . . . 69 Thr HG22 . 25417 1 803 . 1 1 72 72 THR HG23 H 1 1.228 0.027 . 1 . . . . 69 Thr HG23 . 25417 1 804 . 1 1 72 72 THR C C 13 178.120 0.000 . 1 . . . . 69 Thr C . 25417 1 805 . 1 1 72 72 THR CA C 13 66.486 0.072 . 1 . . . . 69 Thr CA . 25417 1 806 . 1 1 72 72 THR CB C 13 68.350 0.002 . 1 . . . . 69 Thr CB . 25417 1 807 . 1 1 72 72 THR CG2 C 13 22.137 0.028 . 1 . . . . 69 Thr CG2 . 25417 1 808 . 1 1 72 72 THR N N 15 114.455 0.325 . 1 . . . . 69 Thr N . 25417 1 809 . 1 1 73 73 GLN H H 1 8.151 0.695 . 1 . . . . 70 Gln H . 25417 1 810 . 1 1 73 73 GLN HA H 1 4.015 0.027 . 1 . . . . 70 Gln HA . 25417 1 811 . 1 1 73 73 GLN HB2 H 1 1.972 0.011 . 2 . . . . 70 Gln HB2 . 25417 1 812 . 1 1 73 73 GLN HB3 H 1 1.273 0.000 . 2 . . . . 70 Gln HB3 . 25417 1 813 . 1 1 73 73 GLN HG2 H 1 2.261 0.013 . 1 . . . . 70 Gln HG . 25417 1 814 . 1 1 73 73 GLN HG3 H 1 2.261 0.013 . 1 . . . . 70 Gln HG . 25417 1 815 . 1 1 73 73 GLN HE21 H 1 7.482 0.009 . 1 . . . . 70 Gln HE21 . 25417 1 816 . 1 1 73 73 GLN HE22 H 1 6.739 0.004 . 1 . . . . 70 Gln HE22 . 25417 1 817 . 1 1 73 73 GLN C C 13 178.869 0.000 . 1 . . . . 70 Gln C . 25417 1 818 . 1 1 73 73 GLN CA C 13 58.664 0.097 . 1 . . . . 70 Gln CA . 25417 1 819 . 1 1 73 73 GLN CB C 13 28.194 0.023 . 1 . . . . 70 Gln CB . 25417 1 820 . 1 1 73 73 GLN CG C 13 33.519 0.000 . 1 . . . . 70 Gln CG . 25417 1 821 . 1 1 73 73 GLN N N 15 122.345 0.095 . 1 . . . . 70 Gln N . 25417 1 822 . 1 1 73 73 GLN NE2 N 15 111.921 0.049 . 1 . . . . 70 Gln NE2 . 25417 1 823 . 1 1 74 74 SER H H 1 8.055 0.030 . 1 . . . . 71 Ser H . 25417 1 824 . 1 1 74 74 SER HA H 1 4.003 0.002 . 1 . . . . 71 Ser HA . 25417 1 825 . 1 1 74 74 SER HB2 H 1 4.254 0.005 . 2 . . . . 71 Ser HB2 . 25417 1 826 . 1 1 74 74 SER HB3 H 1 3.742 0.016 . 2 . . . . 71 Ser HB3 . 25417 1 827 . 1 1 74 74 SER C C 13 175.794 0.000 . 1 . . . . 71 Ser C . 25417 1 828 . 1 1 74 74 SER CA C 13 63.031 0.039 . 1 . . . . 71 Ser CA . 25417 1 829 . 1 1 74 74 SER N N 15 117.047 0.060 . 1 . . . . 71 Ser N . 25417 1 830 . 1 1 75 75 ILE H H 1 8.047 0.025 . 1 . . . . 72 Ile H . 25417 1 831 . 1 1 75 75 ILE HA H 1 3.922 0.012 . 1 . . . . 72 Ile HA . 25417 1 832 . 1 1 75 75 ILE HB H 1 1.861 0.018 . 1 . . . . 72 Ile HB . 25417 1 833 . 1 1 75 75 ILE HG12 H 1 1.236 0.000 . 1 . . . . 72 Ile HG12 . 25417 1 834 . 1 1 75 75 ILE HG21 H 1 0.508 0.008 . 1 . . . . 72 Ile HG21 . 25417 1 835 . 1 1 75 75 ILE HG22 H 1 0.508 0.008 . 1 . . . . 72 Ile HG22 . 25417 1 836 . 1 1 75 75 ILE HG23 H 1 0.508 0.008 . 1 . . . . 72 Ile HG23 . 25417 1 837 . 1 1 75 75 ILE HD11 H 1 0.112 0.023 . 1 . . . . 72 Ile HD11 . 25417 1 838 . 1 1 75 75 ILE HD12 H 1 0.112 0.023 . 1 . . . . 72 Ile HD12 . 25417 1 839 . 1 1 75 75 ILE HD13 H 1 0.112 0.023 . 1 . . . . 72 Ile HD13 . 25417 1 840 . 1 1 75 75 ILE CA C 13 63.002 0.000 . 1 . . . . 72 Ile CA . 25417 1 841 . 1 1 75 75 ILE CG2 C 13 16.334 0.031 . 1 . . . . 72 Ile CG2 . 25417 1 842 . 1 1 75 75 ILE CD1 C 13 13.484 0.000 . 1 . . . . 72 Ile CD1 . 25417 1 843 . 1 1 75 75 ILE N N 15 118.158 0.254 . 1 . . . . 72 Ile N . 25417 1 844 . 1 1 76 76 SER H H 1 8.073 0.030 . 1 . . . . 73 Ser H . 25417 1 845 . 1 1 76 76 SER CA C 13 58.884 0.000 . 1 . . . . 73 Ser CA . 25417 1 846 . 1 1 76 76 SER N N 15 115.886 0.155 . 1 . . . . 73 Ser N . 25417 1 847 . 1 1 77 77 GLU H H 1 8.393 0.048 . 1 . . . . 74 Glu H . 25417 1 848 . 1 1 77 77 GLU HA H 1 4.037 0.028 . 1 . . . . 74 Glu HA . 25417 1 849 . 1 1 77 77 GLU HB2 H 1 2.105 0.038 . 2 . . . . 74 Glu HB2 . 25417 1 850 . 1 1 77 77 GLU HB3 H 1 1.850 0.000 . 2 . . . . 74 Glu HB3 . 25417 1 851 . 1 1 77 77 GLU C C 13 180.086 0.000 . 1 . . . . 74 Glu C . 25417 1 852 . 1 1 77 77 GLU CA C 13 59.109 0.000 . 1 . . . . 74 Glu CA . 25417 1 853 . 1 1 77 77 GLU CB C 13 29.372 0.071 . 1 . . . . 74 Glu CB . 25417 1 854 . 1 1 77 77 GLU N N 15 121.834 0.456 . 1 . . . . 74 Glu N . 25417 1 855 . 1 1 78 78 LEU H H 1 8.494 0.021 . 1 . . . . 75 Leu H . 25417 1 856 . 1 1 78 78 LEU HA H 1 3.873 0.043 . 1 . . . . 75 Leu HA . 25417 1 857 . 1 1 78 78 LEU HB2 H 1 1.901 0.043 . 2 . . . . 75 Leu HB2 . 25417 1 858 . 1 1 78 78 LEU HB3 H 1 2.544 0.000 . 2 . . . . 75 Leu HB3 . 25417 1 859 . 1 1 78 78 LEU HG H 1 1.461 0.007 . 1 . . . . 75 Leu HG . 25417 1 860 . 1 1 78 78 LEU HD11 H 1 -0.229 0.017 . 2 . . . . 75 Leu HD11 . 25417 1 861 . 1 1 78 78 LEU HD12 H 1 -0.229 0.017 . 2 . . . . 75 Leu HD12 . 25417 1 862 . 1 1 78 78 LEU HD13 H 1 -0.229 0.017 . 2 . . . . 75 Leu HD13 . 25417 1 863 . 1 1 78 78 LEU HD21 H 1 0.344 0.000 . 2 . . . . 75 Leu HD21 . 25417 1 864 . 1 1 78 78 LEU HD22 H 1 0.344 0.000 . 2 . . . . 75 Leu HD22 . 25417 1 865 . 1 1 78 78 LEU HD23 H 1 0.344 0.000 . 2 . . . . 75 Leu HD23 . 25417 1 866 . 1 1 78 78 LEU C C 13 178.369 0.000 . 1 . . . . 75 Leu C . 25417 1 867 . 1 1 78 78 LEU CA C 13 57.595 0.067 . 1 . . . . 75 Leu CA . 25417 1 868 . 1 1 78 78 LEU CB C 13 41.616 0.099 . 1 . . . . 75 Leu CB . 25417 1 869 . 1 1 78 78 LEU CD1 C 13 20.276 0.022 . 2 . . . . 75 Leu CD1 . 25417 1 870 . 1 1 78 78 LEU CD2 C 13 22.268 0.000 . 2 . . . . 75 Leu CD2 . 25417 1 871 . 1 1 78 78 LEU N N 15 122.580 0.088 . 1 . . . . 75 Leu N . 25417 1 872 . 1 1 79 79 ARG H H 1 8.673 0.066 . 1 . . . . 76 Arg H . 25417 1 873 . 1 1 79 79 ARG HA H 1 3.563 0.010 . 1 . . . . 76 Arg HA . 25417 1 874 . 1 1 79 79 ARG HB2 H 1 1.872 0.031 . 1 . . . . 76 Arg HB2 . 25417 1 875 . 1 1 79 79 ARG HG2 H 1 0.733 0.000 . 1 . . . . 76 Arg HG2 . 25417 1 876 . 1 1 79 79 ARG HD2 H 1 3.111 0.000 . 1 . . . . 76 Arg HD2 . 25417 1 877 . 1 1 79 79 ARG HE H 1 6.982 0.012 . 1 . . . . 76 Arg HE . 25417 1 878 . 1 1 79 79 ARG C C 13 179.845 0.000 . 1 . . . . 76 Arg C . 25417 1 879 . 1 1 79 79 ARG CA C 13 60.587 0.010 . 1 . . . . 76 Arg CA . 25417 1 880 . 1 1 79 79 ARG CB C 13 30.500 0.043 . 1 . . . . 76 Arg CB . 25417 1 881 . 1 1 79 79 ARG N N 15 117.409 0.211 . 1 . . . . 76 Arg N . 25417 1 882 . 1 1 79 79 ARG NE N 15 84.196 0.000 . 1 . . . . 76 Arg NE . 25417 1 883 . 1 1 80 80 LYS H H 1 7.961 0.013 . 1 . . . . 77 Lys H . 25417 1 884 . 1 1 80 80 LYS HA H 1 3.935 0.017 . 1 . . . . 77 Lys HA . 25417 1 885 . 1 1 80 80 LYS HB2 H 1 1.862 0.027 . 2 . . . . 77 Lys HB2 . 25417 1 886 . 1 1 80 80 LYS HB3 H 1 2.248 0.008 . 2 . . . . 77 Lys HB3 . 25417 1 887 . 1 1 80 80 LYS HG2 H 1 1.454 0.000 . 1 . . . . 77 Lys HG2 . 25417 1 888 . 1 1 80 80 LYS C C 13 180.185 0.000 . 1 . . . . 77 Lys C . 25417 1 889 . 1 1 80 80 LYS CA C 13 59.937 0.054 . 1 . . . . 77 Lys CA . 25417 1 890 . 1 1 80 80 LYS CB C 13 32.248 0.050 . 1 . . . . 77 Lys CB . 25417 1 891 . 1 1 80 80 LYS N N 15 119.353 0.060 . 1 . . . . 77 Lys N . 25417 1 892 . 1 1 81 81 SER H H 1 8.027 0.018 . 1 . . . . 78 Ser H . 25417 1 893 . 1 1 81 81 SER HA H 1 4.126 0.033 . 1 . . . . 78 Ser HA . 25417 1 894 . 1 1 81 81 SER HB2 H 1 3.671 0.000 . 1 . . . . 78 Ser HB2 . 25417 1 895 . 1 1 81 81 SER C C 13 174.027 0.000 . 1 . . . . 78 Ser C . 25417 1 896 . 1 1 81 81 SER CA C 13 62.937 0.051 . 1 . . . . 78 Ser CA . 25417 1 897 . 1 1 81 81 SER N N 15 117.663 0.069 . 1 . . . . 78 Ser N . 25417 1 898 . 1 1 82 82 LEU H H 1 7.490 0.025 . 1 . . . . 79 Leu H . 25417 1 899 . 1 1 82 82 LEU HA H 1 3.239 0.025 . 1 . . . . 79 Leu HA . 25417 1 900 . 1 1 82 82 LEU HB2 H 1 1.113 0.024 . 2 . . . . 79 Leu HB2 . 25417 1 901 . 1 1 82 82 LEU HB3 H 1 1.090 0.027 . 2 . . . . 79 Leu HB3 . 25417 1 902 . 1 1 82 82 LEU HD11 H 1 0.244 0.008 . 2 . . . . 79 Leu HD11 . 25417 1 903 . 1 1 82 82 LEU HD12 H 1 0.244 0.008 . 2 . . . . 79 Leu HD12 . 25417 1 904 . 1 1 82 82 LEU HD13 H 1 0.244 0.008 . 2 . . . . 79 Leu HD13 . 25417 1 905 . 1 1 82 82 LEU HD21 H 1 -0.410 0.022 . 2 . . . . 79 Leu HD21 . 25417 1 906 . 1 1 82 82 LEU HD22 H 1 -0.410 0.022 . 2 . . . . 79 Leu HD22 . 25417 1 907 . 1 1 82 82 LEU HD23 H 1 -0.410 0.022 . 2 . . . . 79 Leu HD23 . 25417 1 908 . 1 1 82 82 LEU C C 13 178.748 0.000 . 1 . . . . 79 Leu C . 25417 1 909 . 1 1 82 82 LEU CA C 13 55.241 0.076 . 1 . . . . 79 Leu CA . 25417 1 910 . 1 1 82 82 LEU CB C 13 40.335 0.041 . 1 . . . . 79 Leu CB . 25417 1 911 . 1 1 82 82 LEU CD1 C 13 25.160 0.034 . 2 . . . . 79 Leu CD1 . 25417 1 912 . 1 1 82 82 LEU CD2 C 13 20.172 0.016 . 2 . . . . 79 Leu CD2 . 25417 1 913 . 1 1 82 82 LEU N N 15 115.921 0.044 . 1 . . . . 79 Leu N . 25417 1 914 . 1 1 83 83 LYS H H 1 7.369 0.013 . 1 . . . . 80 Lys H . 25417 1 915 . 1 1 83 83 LYS HA H 1 4.169 0.026 . 1 . . . . 80 Lys HA . 25417 1 916 . 1 1 83 83 LYS HB2 H 1 1.848 0.033 . 2 . . . . 80 Lys HB2 . 25417 1 917 . 1 1 83 83 LYS HB3 H 1 2.268 0.000 . 2 . . . . 80 Lys HB3 . 25417 1 918 . 1 1 83 83 LYS HG2 H 1 1.170 0.003 . 1 . . . . 80 Lys HG2 . 25417 1 919 . 1 1 83 83 LYS C C 13 177.891 0.000 . 1 . . . . 80 Lys C . 25417 1 920 . 1 1 83 83 LYS CA C 13 58.292 0.060 . 1 . . . . 80 Lys CA . 25417 1 921 . 1 1 83 83 LYS CB C 13 32.999 0.212 . 1 . . . . 80 Lys CB . 25417 1 922 . 1 1 83 83 LYS N N 15 118.265 0.086 . 1 . . . . 80 Lys N . 25417 1 923 . 1 1 84 84 ASP H H 1 7.744 0.017 . 1 . . . . 81 Asp H . 25417 1 924 . 1 1 84 84 ASP HA H 1 4.293 0.016 . 1 . . . . 81 Asp HA . 25417 1 925 . 1 1 84 84 ASP HB2 H 1 2.733 0.057 . 2 . . . . 81 Asp HB2 . 25417 1 926 . 1 1 84 84 ASP HB3 H 1 3.068 0.007 . 2 . . . . 81 Asp HB3 . 25417 1 927 . 1 1 84 84 ASP C C 13 175.581 0.000 . 1 . . . . 81 Asp C . 25417 1 928 . 1 1 84 84 ASP CA C 13 55.443 0.032 . 1 . . . . 81 Asp CA . 25417 1 929 . 1 1 84 84 ASP CB C 13 40.656 0.066 . 1 . . . . 81 Asp CB . 25417 1 930 . 1 1 84 84 ASP N N 15 117.673 0.058 . 1 . . . . 81 Asp N . 25417 1 931 . 1 1 85 85 ASN H H 1 8.652 0.153 . 1 . . . . 82 Asn H . 25417 1 932 . 1 1 85 85 ASN HA H 1 4.243 0.017 . 1 . . . . 82 Asn HA . 25417 1 933 . 1 1 85 85 ASN HB2 H 1 2.079 0.036 . 2 . . . . 82 Asn HB2 . 25417 1 934 . 1 1 85 85 ASN HB3 H 1 2.914 0.000 . 2 . . . . 82 Asn HB3 . 25417 1 935 . 1 1 85 85 ASN HD21 H 1 6.797 0.005 . 1 . . . . 82 Asn HD21 . 25417 1 936 . 1 1 85 85 ASN HD22 H 1 7.970 0.520 . 1 . . . . 82 Asn HD22 . 25417 1 937 . 1 1 85 85 ASN CA C 13 57.356 0.280 . 1 . . . . 82 Asn CA . 25417 1 938 . 1 1 85 85 ASN CB C 13 38.057 0.000 . 1 . . . . 82 Asn CB . 25417 1 939 . 1 1 85 85 ASN N N 15 110.696 0.246 . 1 . . . . 82 Asn N . 25417 1 940 . 1 1 85 85 ASN ND2 N 15 113.776 0.041 . 1 . . . . 82 Asn ND2 . 25417 1 941 . 1 1 86 86 ASP H H 1 7.918 0.009 . 1 . . . . 83 Asp H . 25417 1 942 . 1 1 86 86 ASP HA H 1 4.740 0.015 . 1 . . . . 83 Asp HA . 25417 1 943 . 1 1 86 86 ASP HB2 H 1 2.611 0.033 . 2 . . . . 83 Asp HB2 . 25417 1 944 . 1 1 86 86 ASP HB3 H 1 3.044 0.023 . 2 . . . . 83 Asp HB3 . 25417 1 945 . 1 1 86 86 ASP C C 13 177.880 0.000 . 1 . . . . 83 Asp C . 25417 1 946 . 1 1 86 86 ASP CA C 13 53.542 0.010 . 1 . . . . 83 Asp CA . 25417 1 947 . 1 1 86 86 ASP CB C 13 41.021 0.058 . 1 . . . . 83 Asp CB . 25417 1 948 . 1 1 86 86 ASP N N 15 120.012 0.056 . 1 . . . . 83 Asp N . 25417 1 949 . 1 1 87 87 GLU H H 1 8.993 0.008 . 1 . . . . 84 Glu H . 25417 1 950 . 1 1 87 87 GLU HA H 1 4.071 0.007 . 1 . . . . 84 Glu HA . 25417 1 951 . 1 1 87 87 GLU HB2 H 1 1.938 0.035 . 2 . . . . 84 Glu HB2 . 25417 1 952 . 1 1 87 87 GLU HB3 H 1 2.139 0.036 . 2 . . . . 84 Glu HB3 . 25417 1 953 . 1 1 87 87 GLU HG2 H 1 1.626 0.000 . 1 . . . . 84 Glu HG2 . 25417 1 954 . 1 1 87 87 GLU C C 13 177.307 0.000 . 1 . . . . 84 Glu C . 25417 1 955 . 1 1 87 87 GLU CA C 13 57.881 0.053 . 1 . . . . 84 Glu CA . 25417 1 956 . 1 1 87 87 GLU CB C 13 29.133 0.036 . 1 . . . . 84 Glu CB . 25417 1 957 . 1 1 87 87 GLU N N 15 125.667 0.051 . 1 . . . . 84 Glu N . 25417 1 958 . 1 1 88 88 ASP H H 1 8.436 0.010 . 1 . . . . 85 Asp H . 25417 1 959 . 1 1 88 88 ASP HA H 1 4.726 0.025 . 1 . . . . 85 Asp HA . 25417 1 960 . 1 1 88 88 ASP HB2 H 1 2.598 0.022 . 2 . . . . 85 Asp HB2 . 25417 1 961 . 1 1 88 88 ASP HB3 H 1 2.746 0.003 . 2 . . . . 85 Asp HB3 . 25417 1 962 . 1 1 88 88 ASP C C 13 176.246 0.000 . 1 . . . . 85 Asp C . 25417 1 963 . 1 1 88 88 ASP CA C 13 53.845 0.059 . 1 . . . . 85 Asp CA . 25417 1 964 . 1 1 88 88 ASP CB C 13 40.803 0.009 . 1 . . . . 85 Asp CB . 25417 1 965 . 1 1 88 88 ASP N N 15 118.398 0.069 . 1 . . . . 85 Asp N . 25417 1 966 . 1 1 89 89 SER H H 1 7.496 0.014 . 1 . . . . 86 Ser H . 25417 1 967 . 1 1 89 89 SER HA H 1 4.592 0.034 . 1 . . . . 86 Ser HA . 25417 1 968 . 1 1 89 89 SER HB2 H 1 4.118 0.020 . 2 . . . . 86 Ser HB2 . 25417 1 969 . 1 1 89 89 SER HB3 H 1 4.175 0.000 . 2 . . . . 86 Ser HB3 . 25417 1 970 . 1 1 89 89 SER C C 13 172.770 0.000 . 1 . . . . 86 Ser C . 25417 1 971 . 1 1 89 89 SER CA C 13 57.274 0.089 . 1 . . . . 86 Ser CA . 25417 1 972 . 1 1 89 89 SER CB C 13 63.747 0.039 . 1 . . . . 86 Ser CB . 25417 1 973 . 1 1 89 89 SER N N 15 117.074 0.122 . 1 . . . . 86 Ser N . 25417 1 974 . 1 1 90 90 PRO HA H 1 4.483 0.011 . 1 . . . . 87 Pro HA . 25417 1 975 . 1 1 90 90 PRO HB2 H 1 2.033 0.008 . 2 . . . . 87 Pro HB2 . 25417 1 976 . 1 1 90 90 PRO HB3 H 1 1.576 0.006 . 2 . . . . 87 Pro HB3 . 25417 1 977 . 1 1 90 90 PRO HD2 H 1 3.666 0.023 . 2 . . . . 87 Pro HD2 . 25417 1 978 . 1 1 90 90 PRO HD3 H 1 3.761 0.000 . 2 . . . . 87 Pro HD3 . 25417 1 979 . 1 1 90 90 PRO CA C 13 62.100 0.000 . 1 . . . . 87 Pro CA . 25417 1 980 . 1 1 90 90 PRO CB C 13 31.887 0.068 . 1 . . . . 87 Pro CB . 25417 1 981 . 1 1 90 90 PRO CD C 13 50.373 0.042 . 1 . . . . 87 Pro CD . 25417 1 982 . 1 1 91 91 VAL H H 1 7.998 0.011 . 1 . . . . 88 Val H . 25417 1 983 . 1 1 91 91 VAL HA H 1 3.636 0.016 . 1 . . . . 88 Val HA . 25417 1 984 . 1 1 91 91 VAL HB H 1 1.806 0.014 . 1 . . . . 88 Val HB . 25417 1 985 . 1 1 91 91 VAL HG11 H 1 0.773 0.018 . 2 . . . . 88 Val HG11 . 25417 1 986 . 1 1 91 91 VAL HG12 H 1 0.773 0.018 . 2 . . . . 88 Val HG12 . 25417 1 987 . 1 1 91 91 VAL HG13 H 1 0.773 0.018 . 2 . . . . 88 Val HG13 . 25417 1 988 . 1 1 91 91 VAL HG21 H 1 0.965 0.004 . 2 . . . . 88 Val HG21 . 25417 1 989 . 1 1 91 91 VAL HG22 H 1 0.965 0.004 . 2 . . . . 88 Val HG22 . 25417 1 990 . 1 1 91 91 VAL HG23 H 1 0.965 0.004 . 2 . . . . 88 Val HG23 . 25417 1 991 . 1 1 91 91 VAL C C 13 176.094 0.000 . 1 . . . . 88 Val C . 25417 1 992 . 1 1 91 91 VAL CA C 13 64.275 0.090 . 1 . . . . 88 Val CA . 25417 1 993 . 1 1 91 91 VAL CB C 13 31.855 0.018 . 1 . . . . 88 Val CB . 25417 1 994 . 1 1 91 91 VAL CG1 C 13 20.897 0.000 . 2 . . . . 88 Val CG1 . 25417 1 995 . 1 1 91 91 VAL CG2 C 13 22.460 0.000 . 2 . . . . 88 Val CG2 . 25417 1 996 . 1 1 91 91 VAL N N 15 119.452 0.047 . 1 . . . . 88 Val N . 25417 1 997 . 1 1 92 92 TYR H H 1 8.788 0.024 . 1 . . . . 89 Tyr H . 25417 1 998 . 1 1 92 92 TYR HA H 1 4.328 0.023 . 1 . . . . 89 Tyr HA . 25417 1 999 . 1 1 92 92 TYR HB2 H 1 2.287 0.019 . 2 . . . . 89 Tyr HB2 . 25417 1 1000 . 1 1 92 92 TYR HB3 H 1 2.870 0.011 . 2 . . . . 89 Tyr HB3 . 25417 1 1001 . 1 1 92 92 TYR HD1 H 1 6.964 0.004 . 1 . . . . 89 Tyr HD1 . 25417 1 1002 . 1 1 92 92 TYR HD2 H 1 6.977 0.034 . 1 . . . . 89 Tyr HD2 . 25417 1 1003 . 1 1 92 92 TYR HE1 H 1 7.076 0.006 . 1 . . . . 89 Tyr HE1 . 25417 1 1004 . 1 1 92 92 TYR HE2 H 1 7.076 0.006 . 1 . . . . 89 Tyr HE2 . 25417 1 1005 . 1 1 92 92 TYR HH H 1 8.661 0.000 . 1 . . . . 89 Tyr HH . 25417 1 1006 . 1 1 92 92 TYR C C 13 176.140 0.000 . 1 . . . . 89 Tyr C . 25417 1 1007 . 1 1 92 92 TYR CA C 13 60.806 0.008 . 1 . . . . 89 Tyr CA . 25417 1 1008 . 1 1 92 92 TYR CB C 13 40.777 0.030 . 1 . . . . 89 Tyr CB . 25417 1 1009 . 1 1 92 92 TYR CD1 C 13 133.932 0.044 . 1 . . . . 89 Tyr CD1 . 25417 1 1010 . 1 1 92 92 TYR CD2 C 13 133.932 0.044 . 1 . . . . 89 Tyr CD2 . 25417 1 1011 . 1 1 92 92 TYR N N 15 126.426 0.097 . 1 . . . . 89 Tyr N . 25417 1 1012 . 1 1 93 93 ILE H H 1 8.226 0.028 . 1 . . . . 90 Ile H . 25417 1 1013 . 1 1 93 93 ILE HA H 1 4.361 0.013 . 1 . . . . 90 Ile HA . 25417 1 1014 . 1 1 93 93 ILE HB H 1 1.268 0.011 . 1 . . . . 90 Ile HB . 25417 1 1015 . 1 1 93 93 ILE HG21 H 1 0.407 0.030 . 1 . . . . 90 Ile HG21 . 25417 1 1016 . 1 1 93 93 ILE HG22 H 1 0.407 0.030 . 1 . . . . 90 Ile HG22 . 25417 1 1017 . 1 1 93 93 ILE HG23 H 1 0.407 0.030 . 1 . . . . 90 Ile HG23 . 25417 1 1018 . 1 1 93 93 ILE HD11 H 1 0.125 0.033 . 1 . . . . 90 Ile HD11 . 25417 1 1019 . 1 1 93 93 ILE HD12 H 1 0.125 0.033 . 1 . . . . 90 Ile HD12 . 25417 1 1020 . 1 1 93 93 ILE HD13 H 1 0.125 0.033 . 1 . . . . 90 Ile HD13 . 25417 1 1021 . 1 1 93 93 ILE C C 13 175.437 0.000 . 1 . . . . 90 Ile C . 25417 1 1022 . 1 1 93 93 ILE CA C 13 59.100 0.145 . 1 . . . . 90 Ile CA . 25417 1 1023 . 1 1 93 93 ILE CB C 13 40.398 0.012 . 1 . . . . 90 Ile CB . 25417 1 1024 . 1 1 93 93 ILE CG2 C 13 18.170 0.000 . 1 . . . . 90 Ile CG2 . 25417 1 1025 . 1 1 93 93 ILE CD1 C 13 11.247 0.000 . 1 . . . . 90 Ile CD1 . 25417 1 1026 . 1 1 93 93 ILE N N 15 118.419 0.100 . 1 . . . . 90 Ile N . 25417 1 1027 . 1 1 94 94 ALA H H 1 9.301 0.025 . 1 . . . . 91 Ala H . 25417 1 1028 . 1 1 94 94 ALA HA H 1 4.670 0.025 . 1 . . . . 91 Ala HA . 25417 1 1029 . 1 1 94 94 ALA HB1 H 1 1.338 0.008 . 1 . . . . 91 Ala HB1 . 25417 1 1030 . 1 1 94 94 ALA HB2 H 1 1.338 0.008 . 1 . . . . 91 Ala HB2 . 25417 1 1031 . 1 1 94 94 ALA HB3 H 1 1.338 0.008 . 1 . . . . 91 Ala HB3 . 25417 1 1032 . 1 1 94 94 ALA C C 13 178.278 0.000 . 1 . . . . 91 Ala C . 25417 1 1033 . 1 1 94 94 ALA CA C 13 50.512 0.014 . 1 . . . . 91 Ala CA . 25417 1 1034 . 1 1 94 94 ALA CB C 13 20.738 0.060 . 1 . . . . 91 Ala CB . 25417 1 1035 . 1 1 94 94 ALA N N 15 131.576 0.092 . 1 . . . . 91 Ala N . 25417 1 1036 . 1 1 95 95 THR H H 1 9.054 0.062 . 1 . . . . 92 Thr H . 25417 1 1037 . 1 1 95 95 THR HA H 1 4.251 0.025 . 1 . . . . 92 Thr HA . 25417 1 1038 . 1 1 95 95 THR HB H 1 4.052 0.037 . 1 . . . . 92 Thr HB . 25417 1 1039 . 1 1 95 95 THR HG21 H 1 0.925 0.027 . 1 . . . . 92 Thr HG21 . 25417 1 1040 . 1 1 95 95 THR HG22 H 1 0.925 0.027 . 1 . . . . 92 Thr HG22 . 25417 1 1041 . 1 1 95 95 THR HG23 H 1 0.925 0.027 . 1 . . . . 92 Thr HG23 . 25417 1 1042 . 1 1 95 95 THR C C 13 174.291 0.000 . 1 . . . . 92 Thr C . 25417 1 1043 . 1 1 95 95 THR CA C 13 62.982 0.029 . 1 . . . . 92 Thr CA . 25417 1 1044 . 1 1 95 95 THR CB C 13 69.151 0.010 . 1 . . . . 92 Thr CB . 25417 1 1045 . 1 1 95 95 THR CG2 C 13 23.381 0.000 . 1 . . . . 92 Thr CG2 . 25417 1 1046 . 1 1 95 95 THR N N 15 119.648 0.171 . 1 . . . . 92 Thr N . 25417 1 1047 . 1 1 96 96 VAL H H 1 8.910 0.041 . 1 . . . . 93 Val H . 25417 1 1048 . 1 1 96 96 VAL HA H 1 4.347 0.022 . 1 . . . . 93 Val HA . 25417 1 1049 . 1 1 96 96 VAL HB H 1 1.558 0.008 . 1 . . . . 93 Val HB . 25417 1 1050 . 1 1 96 96 VAL HG11 H 1 0.733 0.035 . 1 . . . . 93 Val HG11 . 25417 1 1051 . 1 1 96 96 VAL HG12 H 1 0.733 0.035 . 1 . . . . 93 Val HG12 . 25417 1 1052 . 1 1 96 96 VAL HG13 H 1 0.733 0.035 . 1 . . . . 93 Val HG13 . 25417 1 1053 . 1 1 96 96 VAL C C 13 174.104 0.000 . 1 . . . . 93 Val C . 25417 1 1054 . 1 1 96 96 VAL CA C 13 59.253 0.001 . 1 . . . . 93 Val CA . 25417 1 1055 . 1 1 96 96 VAL CB C 13 31.152 0.090 . 1 . . . . 93 Val CB . 25417 1 1056 . 1 1 96 96 VAL CG1 C 13 20.457 0.000 . 1 . . . . 93 Val CG1 . 25417 1 1057 . 1 1 96 96 VAL N N 15 131.767 0.101 . 1 . . . . 93 Val N . 25417 1 1058 . 1 1 97 97 PRO HA H 1 4.051 0.020 . 1 . . . . 94 Pro HA . 25417 1 1059 . 1 1 97 97 PRO HB2 H 1 2.222 0.000 . 2 . . . . 94 Pro HB2 . 25417 1 1060 . 1 1 97 97 PRO HB3 H 1 2.057 0.000 . 2 . . . . 94 Pro HB3 . 25417 1 1061 . 1 1 97 97 PRO HD2 H 1 4.104 0.008 . 2 . . . . 94 Pro HD2 . 25417 1 1062 . 1 1 97 97 PRO HD3 H 1 3.818 0.000 . 2 . . . . 94 Pro HD3 . 25417 1 1063 . 1 1 97 97 PRO CA C 13 64.560 0.000 . 1 . . . . 94 Pro CA . 25417 1 1064 . 1 1 97 97 PRO CB C 13 31.581 0.024 . 1 . . . . 94 Pro CB . 25417 1 1065 . 1 1 97 97 PRO CD C 13 51.282 0.039 . 1 . . . . 94 Pro CD . 25417 1 1066 . 1 1 98 98 LYS H H 1 8.933 0.356 . 1 . . . . 95 Lys H . 25417 1 1067 . 1 1 98 98 LYS HA H 1 3.778 0.026 . 1 . . . . 95 Lys HA . 25417 1 1068 . 1 1 98 98 LYS HB2 H 1 1.887 0.036 . 2 . . . . 95 Lys HB2 . 25417 1 1069 . 1 1 98 98 LYS HB3 H 1 2.187 0.031 . 2 . . . . 95 Lys HB3 . 25417 1 1070 . 1 1 98 98 LYS HG2 H 1 1.332 0.000 . 1 . . . . 95 Lys HG2 . 25417 1 1071 . 1 1 98 98 LYS C C 13 176.839 0.000 . 1 . . . . 95 Lys C . 25417 1 1072 . 1 1 98 98 LYS CA C 13 59.085 0.025 . 1 . . . . 95 Lys CA . 25417 1 1073 . 1 1 98 98 LYS CB C 13 30.790 0.101 . 1 . . . . 95 Lys CB . 25417 1 1074 . 1 1 98 98 LYS N N 15 116.627 0.464 . 1 . . . . 95 Lys N . 25417 1 1075 . 1 1 99 99 ARG H H 1 7.989 0.014 . 1 . . . . 96 Arg H . 25417 1 1076 . 1 1 99 99 ARG HA H 1 4.556 0.058 . 1 . . . . 96 Arg HA . 25417 1 1077 . 1 1 99 99 ARG HB2 H 1 1.177 0.029 . 2 . . . . 96 Arg HB2 . 25417 1 1078 . 1 1 99 99 ARG HB3 H 1 1.664 0.047 . 2 . . . . 96 Arg HB3 . 25417 1 1079 . 1 1 99 99 ARG HG2 H 1 0.741 0.020 . 1 . . . . 96 Arg HG2 . 25417 1 1080 . 1 1 99 99 ARG HD2 H 1 3.232 0.000 . 1 . . . . 96 Arg HD2 . 25417 1 1081 . 1 1 99 99 ARG HE H 1 8.723 0.001 . 1 . . . . 96 Arg HE . 25417 1 1082 . 1 1 99 99 ARG C C 13 176.271 0.000 . 1 . . . . 96 Arg C . 25417 1 1083 . 1 1 99 99 ARG CA C 13 56.823 0.053 . 1 . . . . 96 Arg CA . 25417 1 1084 . 1 1 99 99 ARG CB C 13 33.674 0.056 . 1 . . . . 96 Arg CB . 25417 1 1085 . 1 1 99 99 ARG CG C 13 26.877 0.000 . 1 . . . . 96 Arg CG . 25417 1 1086 . 1 1 99 99 ARG CD C 13 42.896 0.057 . 1 . . . . 96 Arg CD . 25417 1 1087 . 1 1 99 99 ARG N N 15 117.484 0.137 . 1 . . . . 96 Arg N . 25417 1 1088 . 1 1 99 99 ARG NE N 15 86.411 0.021 . 1 . . . . 96 Arg NE . 25417 1 1089 . 1 1 100 100 GLY H H 1 7.831 0.025 . 1 . . . . 97 Gly H . 25417 1 1090 . 1 1 100 100 GLY HA2 H 1 3.182 0.034 . 2 . . . . 97 Gly HA2 . 25417 1 1091 . 1 1 100 100 GLY HA3 H 1 4.715 0.025 . 2 . . . . 97 Gly HA3 . 25417 1 1092 . 1 1 100 100 GLY C C 13 171.969 0.000 . 1 . . . . 97 Gly C . 25417 1 1093 . 1 1 100 100 GLY CA C 13 45.800 0.023 . 1 . . . . 97 Gly CA . 25417 1 1094 . 1 1 100 100 GLY N N 15 106.011 0.198 . 1 . . . . 97 Gly N . 25417 1 1095 . 1 1 101 101 TYR H H 1 9.136 0.058 . 1 . . . . 98 Tyr H . 25417 1 1096 . 1 1 101 101 TYR HA H 1 5.507 0.019 . 1 . . . . 98 Tyr HA . 25417 1 1097 . 1 1 101 101 TYR HB2 H 1 2.729 0.023 . 2 . . . . 98 Tyr HB2 . 25417 1 1098 . 1 1 101 101 TYR HB3 H 1 3.040 0.017 . 2 . . . . 98 Tyr HB3 . 25417 1 1099 . 1 1 101 101 TYR HD1 H 1 6.907 0.000 . 1 . . . . 98 Tyr HD1 . 25417 1 1100 . 1 1 101 101 TYR HD2 H 1 6.898 0.012 . 1 . . . . 98 Tyr HD2 . 25417 1 1101 . 1 1 101 101 TYR HE1 H 1 6.628 0.004 . 1 . . . . 98 Tyr HE1 . 25417 1 1102 . 1 1 101 101 TYR HE2 H 1 6.628 0.004 . 1 . . . . 98 Tyr HE2 . 25417 1 1103 . 1 1 101 101 TYR C C 13 174.476 0.000 . 1 . . . . 98 Tyr C . 25417 1 1104 . 1 1 101 101 TYR CA C 13 56.964 0.000 . 1 . . . . 98 Tyr CA . 25417 1 1105 . 1 1 101 101 TYR CB C 13 44.521 0.034 . 1 . . . . 98 Tyr CB . 25417 1 1106 . 1 1 101 101 TYR CD1 C 13 133.336 0.054 . 1 . . . . 98 Tyr CD1 . 25417 1 1107 . 1 1 101 101 TYR CD2 C 13 133.336 0.054 . 1 . . . . 98 Tyr CD2 . 25417 1 1108 . 1 1 101 101 TYR CE1 C 13 117.966 0.039 . 1 . . . . 98 Tyr CE1 . 25417 1 1109 . 1 1 101 101 TYR CE2 C 13 117.966 0.039 . 1 . . . . 98 Tyr CE2 . 25417 1 1110 . 1 1 101 101 TYR N N 15 124.194 0.510 . 1 . . . . 98 Tyr N . 25417 1 1111 . 1 1 102 102 LYS H H 1 8.875 0.051 . 1 . . . . 99 Lys H . 25417 1 1112 . 1 1 102 102 LYS HA H 1 5.035 0.020 . 1 . . . . 99 Lys HA . 25417 1 1113 . 1 1 102 102 LYS HB2 H 1 1.468 0.017 . 2 . . . . 99 Lys HB2 . 25417 1 1114 . 1 1 102 102 LYS HB3 H 1 1.405 0.017 . 2 . . . . 99 Lys HB3 . 25417 1 1115 . 1 1 102 102 LYS HG2 H 1 0.744 0.027 . 2 . . . . 99 Lys HG2 . 25417 1 1116 . 1 1 102 102 LYS HG3 H 1 1.107 0.002 . 2 . . . . 99 Lys HG3 . 25417 1 1117 . 1 1 102 102 LYS HE2 H 1 2.767 0.005 . 1 . . . . 99 Lys HE2 . 25417 1 1118 . 1 1 102 102 LYS C C 13 174.660 0.000 . 1 . . . . 99 Lys C . 25417 1 1119 . 1 1 102 102 LYS CA C 13 55.001 0.178 . 1 . . . . 99 Lys CA . 25417 1 1120 . 1 1 102 102 LYS CB C 13 38.650 0.040 . 1 . . . . 99 Lys CB . 25417 1 1121 . 1 1 102 102 LYS N N 15 120.282 0.156 . 1 . . . . 99 Lys N . 25417 1 1122 . 1 1 103 103 LEU H H 1 9.715 0.008 . 1 . . . . 100 Leu H . 25417 1 1123 . 1 1 103 103 LEU HA H 1 4.808 0.040 . 1 . . . . 100 Leu HA . 25417 1 1124 . 1 1 103 103 LEU HB2 H 1 1.387 0.020 . 2 . . . . 100 Leu HB2 . 25417 1 1125 . 1 1 103 103 LEU HB3 H 1 2.024 0.019 . 2 . . . . 100 Leu HB3 . 25417 1 1126 . 1 1 103 103 LEU HG H 1 0.754 0.020 . 1 . . . . 100 Leu HG . 25417 1 1127 . 1 1 103 103 LEU HD11 H 1 0.835 0.030 . 1 . . . . 100 Leu HD11 . 25417 1 1128 . 1 1 103 103 LEU HD12 H 1 0.835 0.030 . 1 . . . . 100 Leu HD12 . 25417 1 1129 . 1 1 103 103 LEU HD13 H 1 0.835 0.030 . 1 . . . . 100 Leu HD13 . 25417 1 1130 . 1 1 103 103 LEU C C 13 178.417 0.000 . 1 . . . . 100 Leu C . 25417 1 1131 . 1 1 103 103 LEU CA C 13 54.940 0.086 . 1 . . . . 100 Leu CA . 25417 1 1132 . 1 1 103 103 LEU CB C 13 43.155 0.040 . 1 . . . . 100 Leu CB . 25417 1 1133 . 1 1 103 103 LEU N N 15 129.538 0.164 . 1 . . . . 100 Leu N . 25417 1 1134 . 1 1 104 104 MET H H 1 8.707 0.008 . 1 . . . . 101 Met H . 25417 1 1135 . 1 1 104 104 MET HA H 1 4.791 0.044 . 1 . . . . 101 Met HA . 25417 1 1136 . 1 1 104 104 MET HB2 H 1 1.824 0.006 . 2 . . . . 101 Met HB2 . 25417 1 1137 . 1 1 104 104 MET HB3 H 1 2.271 0.030 . 2 . . . . 101 Met HB3 . 25417 1 1138 . 1 1 104 104 MET HE1 H 1 1.946 0.000 . 1 . . . . 101 Met HE1 . 25417 1 1139 . 1 1 104 104 MET HE2 H 1 1.946 0.000 . 1 . . . . 101 Met HE2 . 25417 1 1140 . 1 1 104 104 MET HE3 H 1 1.946 0.000 . 1 . . . . 101 Met HE3 . 25417 1 1141 . 1 1 104 104 MET C C 13 176.956 0.000 . 1 . . . . 101 Met C . 25417 1 1142 . 1 1 104 104 MET CA C 13 54.803 0.038 . 1 . . . . 101 Met CA . 25417 1 1143 . 1 1 104 104 MET CB C 13 32.210 0.009 . 1 . . . . 101 Met CB . 25417 1 1144 . 1 1 104 104 MET CE C 13 15.525 0.000 . 1 . . . . 101 Met CE . 25417 1 1145 . 1 1 104 104 MET N N 15 124.887 0.058 . 1 . . . . 101 Met N . 25417 1 1146 . 1 1 105 105 VAL H H 1 6.512 0.011 . 1 . . . . 102 Val H . 25417 1 1147 . 1 1 105 105 VAL HA H 1 4.646 0.005 . 1 . . . . 102 Val HA . 25417 1 1148 . 1 1 105 105 VAL HB H 1 1.881 0.019 . 1 . . . . 102 Val HB . 25417 1 1149 . 1 1 105 105 VAL HG11 H 1 0.369 0.010 . 2 . . . . 102 Val HG11 . 25417 1 1150 . 1 1 105 105 VAL HG12 H 1 0.369 0.010 . 2 . . . . 102 Val HG12 . 25417 1 1151 . 1 1 105 105 VAL HG13 H 1 0.369 0.010 . 2 . . . . 102 Val HG13 . 25417 1 1152 . 1 1 105 105 VAL HG21 H 1 0.674 0.044 . 2 . . . . 102 Val HG21 . 25417 1 1153 . 1 1 105 105 VAL HG22 H 1 0.674 0.044 . 2 . . . . 102 Val HG22 . 25417 1 1154 . 1 1 105 105 VAL HG23 H 1 0.674 0.044 . 2 . . . . 102 Val HG23 . 25417 1 1155 . 1 1 105 105 VAL C C 13 173.037 0.000 . 1 . . . . 102 Val C . 25417 1 1156 . 1 1 105 105 VAL CA C 13 57.660 0.003 . 1 . . . . 102 Val CA . 25417 1 1157 . 1 1 105 105 VAL CB C 13 31.874 0.043 . 1 . . . . 102 Val CB . 25417 1 1158 . 1 1 105 105 VAL CG1 C 13 20.749 0.000 . 2 . . . . 102 Val CG1 . 25417 1 1159 . 1 1 105 105 VAL CG2 C 13 19.114 0.000 . 2 . . . . 102 Val CG2 . 25417 1 1160 . 1 1 105 105 VAL N N 15 108.909 0.050 . 1 . . . . 102 Val N . 25417 1 1161 . 1 1 106 106 PRO HA H 1 4.417 0.041 . 1 . . . . 103 Pro HA . 25417 1 1162 . 1 1 106 106 PRO HB2 H 1 2.249 0.000 . 2 . . . . 103 Pro HB2 . 25417 1 1163 . 1 1 106 106 PRO HB3 H 1 1.750 0.000 . 2 . . . . 103 Pro HB3 . 25417 1 1164 . 1 1 106 106 PRO HD2 H 1 3.449 0.004 . 2 . . . . 103 Pro HD2 . 25417 1 1165 . 1 1 106 106 PRO HD3 H 1 3.715 0.000 . 2 . . . . 103 Pro HD3 . 25417 1 1166 . 1 1 106 106 PRO CA C 13 62.629 0.000 . 1 . . . . 103 Pro CA . 25417 1 1167 . 1 1 106 106 PRO CB C 13 32.321 0.011 . 1 . . . . 103 Pro CB . 25417 1 1168 . 1 1 106 106 PRO CD C 13 50.781 0.014 . 1 . . . . 103 Pro CD . 25417 1 1169 . 1 1 107 107 VAL H H 1 8.241 0.011 . 1 . . . . 104 Val H . 25417 1 1170 . 1 1 107 107 VAL HA H 1 5.059 0.011 . 1 . . . . 104 Val HA . 25417 1 1171 . 1 1 107 107 VAL HB H 1 1.762 0.005 . 1 . . . . 104 Val HB . 25417 1 1172 . 1 1 107 107 VAL HG11 H 1 0.987 0.017 . 2 . . . . 104 Val HG11 . 25417 1 1173 . 1 1 107 107 VAL HG12 H 1 0.987 0.017 . 2 . . . . 104 Val HG12 . 25417 1 1174 . 1 1 107 107 VAL HG13 H 1 0.987 0.017 . 2 . . . . 104 Val HG13 . 25417 1 1175 . 1 1 107 107 VAL HG21 H 1 0.571 0.033 . 2 . . . . 104 Val HG21 . 25417 1 1176 . 1 1 107 107 VAL HG22 H 1 0.571 0.033 . 2 . . . . 104 Val HG22 . 25417 1 1177 . 1 1 107 107 VAL HG23 H 1 0.571 0.033 . 2 . . . . 104 Val HG23 . 25417 1 1178 . 1 1 107 107 VAL C C 13 176.154 0.000 . 1 . . . . 104 Val C . 25417 1 1179 . 1 1 107 107 VAL CA C 13 59.756 0.018 . 1 . . . . 104 Val CA . 25417 1 1180 . 1 1 107 107 VAL CB C 13 35.073 0.063 . 1 . . . . 104 Val CB . 25417 1 1181 . 1 1 107 107 VAL CG1 C 13 21.932 0.058 . 2 . . . . 104 Val CG1 . 25417 1 1182 . 1 1 107 107 VAL CG2 C 13 22.230 0.048 . 2 . . . . 104 Val CG2 . 25417 1 1183 . 1 1 107 107 VAL N N 15 120.018 0.077 . 1 . . . . 104 Val N . 25417 1 1184 . 1 1 108 108 ILE H H 1 8.418 0.012 . 1 . . . . 105 Ile H . 25417 1 1185 . 1 1 108 108 ILE HA H 1 4.162 0.009 . 1 . . . . 105 Ile HA . 25417 1 1186 . 1 1 108 108 ILE HB H 1 1.384 0.038 . 1 . . . . 105 Ile HB . 25417 1 1187 . 1 1 108 108 ILE HG12 H 1 0.930 0.030 . 2 . . . . 105 Ile HG12 . 25417 1 1188 . 1 1 108 108 ILE HG13 H 1 0.917 0.019 . 2 . . . . 105 Ile HG13 . 25417 1 1189 . 1 1 108 108 ILE HG21 H 1 0.456 0.030 . 1 . . . . 105 Ile HG21 . 25417 1 1190 . 1 1 108 108 ILE HG22 H 1 0.456 0.030 . 1 . . . . 105 Ile HG22 . 25417 1 1191 . 1 1 108 108 ILE HG23 H 1 0.456 0.030 . 1 . . . . 105 Ile HG23 . 25417 1 1192 . 1 1 108 108 ILE HD11 H 1 0.797 0.000 . 1 . . . . 105 Ile HD11 . 25417 1 1193 . 1 1 108 108 ILE HD12 H 1 0.797 0.000 . 1 . . . . 105 Ile HD12 . 25417 1 1194 . 1 1 108 108 ILE HD13 H 1 0.797 0.000 . 1 . . . . 105 Ile HD13 . 25417 1 1195 . 1 1 108 108 ILE C C 13 174.229 0.000 . 1 . . . . 105 Ile C . 25417 1 1196 . 1 1 108 108 ILE CA C 13 60.047 0.055 . 1 . . . . 105 Ile CA . 25417 1 1197 . 1 1 108 108 ILE CB C 13 41.424 0.076 . 1 . . . . 105 Ile CB . 25417 1 1198 . 1 1 108 108 ILE CG1 C 13 225.841 0.068 . 1 . . . . 105 Ile CG1 . 25417 1 1199 . 1 1 108 108 ILE CG2 C 13 17.248 0.027 . 1 . . . . 105 Ile CG2 . 25417 1 1200 . 1 1 108 108 ILE CD1 C 13 12.988 0.000 . 1 . . . . 105 Ile CD1 . 25417 1 1201 . 1 1 108 108 ILE N N 15 126.197 0.114 . 1 . . . . 105 Ile N . 25417 1 1202 . 1 1 109 109 TRP H H 1 8.577 0.010 . 1 . . . . 106 Trp H . 25417 1 1203 . 1 1 109 109 TRP HA H 1 4.443 0.024 . 1 . . . . 106 Trp HA . 25417 1 1204 . 1 1 109 109 TRP HB2 H 1 2.941 0.020 . 2 . . . . 106 Trp HB2 . 25417 1 1205 . 1 1 109 109 TRP HB3 H 1 3.348 0.018 . 2 . . . . 106 Trp HB3 . 25417 1 1206 . 1 1 109 109 TRP HD1 H 1 7.158 0.023 . 1 . . . . 106 Trp HD1 . 25417 1 1207 . 1 1 109 109 TRP HE1 H 1 9.705 0.009 . 1 . . . . 106 Trp HE1 . 25417 1 1208 . 1 1 109 109 TRP HE3 H 1 7.758 0.020 . 1 . . . . 106 Trp HE3 . 25417 1 1209 . 1 1 109 109 TRP HZ2 H 1 6.941 0.015 . 1 . . . . 106 Trp HZ2 . 25417 1 1210 . 1 1 109 109 TRP HZ3 H 1 6.906 0.001 . 1 . . . . 106 Trp HZ3 . 25417 1 1211 . 1 1 109 109 TRP C C 13 176.294 0.000 . 1 . . . . 106 Trp C . 25417 1 1212 . 1 1 109 109 TRP CA C 13 56.930 0.072 . 1 . . . . 106 Trp CA . 25417 1 1213 . 1 1 109 109 TRP CB C 13 29.304 0.056 . 1 . . . . 106 Trp CB . 25417 1 1214 . 1 1 109 109 TRP CD1 C 13 127.361 0.004 . 1 . . . . 106 Trp CD1 . 25417 1 1215 . 1 1 109 109 TRP CE3 C 13 121.663 0.029 . 1 . . . . 106 Trp CE3 . 25417 1 1216 . 1 1 109 109 TRP CZ2 C 13 113.547 0.038 . 1 . . . . 106 Trp CZ2 . 25417 1 1217 . 1 1 109 109 TRP CZ3 C 13 121.533 0.145 . 1 . . . . 106 Trp CZ3 . 25417 1 1218 . 1 1 109 109 TRP N N 15 127.443 0.042 . 1 . . . . 106 Trp N . 25417 1 1219 . 1 1 109 109 TRP NE1 N 15 128.607 0.050 . 1 . . . . 106 Trp NE1 . 25417 1 1220 . 1 1 110 110 TYR H H 1 9.119 0.017 . 1 . . . . 107 Tyr H . 25417 1 1221 . 1 1 110 110 TYR HA H 1 4.694 0.009 . 1 . . . . 107 Tyr HA . 25417 1 1222 . 1 1 110 110 TYR HB2 H 1 2.335 0.000 . 1 . . . . 107 Tyr HB2 . 25417 1 1223 . 1 1 110 110 TYR HD1 H 1 6.868 0.011 . 1 . . . . 107 Tyr HD1 . 25417 1 1224 . 1 1 110 110 TYR HD2 H 1 6.868 0.011 . 1 . . . . 107 Tyr HD2 . 25417 1 1225 . 1 1 110 110 TYR HE1 H 1 6.546 0.000 . 1 . . . . 107 Tyr HE1 . 25417 1 1226 . 1 1 110 110 TYR HE2 H 1 6.546 0.000 . 1 . . . . 107 Tyr HE2 . 25417 1 1227 . 1 1 110 110 TYR HH H 1 6.916 0.000 . 1 . . . . 107 Tyr HH . 25417 1 1228 . 1 1 110 110 TYR CD1 C 13 133.221 0.000 . 1 . . . . 107 Tyr CD1 . 25417 1 1229 . 1 1 110 110 TYR CD2 C 13 133.221 0.000 . 1 . . . . 107 Tyr CD2 . 25417 1 1230 . 1 1 110 110 TYR N N 15 124.737 0.046 . 1 . . . . 107 Tyr N . 25417 1 1231 . 1 1 111 111 SER CA C 13 62.694 0 . 1 . . . . 108 Ser CA . 25417 1 1232 . 1 1 111 111 SER CB C 13 61.078 0 . 1 . . . . 108 Ser CB . 25417 1 1233 . 1 1 112 112 GLU H H 1 8.359 0.02 . 1 . . . . 109 Glu H . 25417 1 1234 . 1 1 112 112 GLU CA C 13 56.254 0 . 1 . . . . 109 Glu CA . 25417 1 1235 . 1 1 112 112 GLU CB C 13 31.762 0 . 1 . . . . 109 Glu CB . 25417 1 1236 . 1 1 112 112 GLU N N 15 120.936 0.242 . 1 . . . . 109 Glu N . 25417 1 1237 . 1 1 113 113 GLU H H 1 8.372 0.014 . 1 . . . . 110 Glu H . 25417 1 1238 . 1 1 113 113 GLU CA C 13 55.522 0 . 1 . . . . 110 Glu CA . 25417 1 1239 . 1 1 113 113 GLU CB C 13 29.72 0 . 1 . . . . 110 Glu CB . 25417 1 1240 . 1 1 113 113 GLU N N 15 121.336 0.181 . 1 . . . . 110 Glu N . 25417 1 1241 . 1 1 114 114 GLU H H 1 8.261 0.025 . 1 . . . . 111 Glu H . 25417 1 1242 . 1 1 114 114 GLU CA C 13 57.046 0 . 1 . . . . 111 Glu CA . 25417 1 1243 . 1 1 114 114 GLU CB C 13 29.956 0 . 1 . . . . 111 Glu CB . 25417 1 1244 . 1 1 114 114 GLU N N 15 121.384 0.144 . 1 . . . . 111 Glu N . 25417 1 1245 . 1 1 115 115 GLY H H 1 8.382 0.014 . 1 . . . . 112 Gly H . 25417 1 1246 . 1 1 115 115 GLY CA C 13 45.38 0 . 1 . . . . 112 Gly CA . 25417 1 1247 . 1 1 115 115 GLY N N 15 109.224 0.238 . 1 . . . . 112 Gly N . 25417 1 1248 . 1 1 116 116 GLU H H 1 8.069 0.015 . 1 . . . . 113 Glu H . 25417 1 1249 . 1 1 116 116 GLU CA C 13 56.992 0 . 1 . . . . 113 Glu CA . 25417 1 1250 . 1 1 116 116 GLU CB C 13 30.053 0 . 1 . . . . 113 Glu CB . 25417 1 1251 . 1 1 116 116 GLU N N 15 120.282 0.118 . 1 . . . . 113 Glu N . 25417 1 1252 . 1 1 117 117 GLU H H 1 8.543 0.02 . 1 . . . . 114 Glu H . 25417 1 1253 . 1 1 117 117 GLU N N 15 120.857 0.208 . 1 . . . . 114 Glu N . 25417 1 1254 . 1 1 118 118 ILE H H 1 8.726 0.008 . 1 . . . . 115 Ile H . 25417 1 1255 . 1 1 118 118 ILE N N 15 122.488 0.083 . 1 . . . . 115 Ile N . 25417 1 1256 . 1 1 119 119 MET H H 1 7.803 0.004 . 1 . . . . 116 Met H . 25417 1 1257 . 1 1 119 119 MET N N 15 119.099 0.069 . 1 . . . . 116 Met N . 25417 1 1258 . 1 1 120 120 LEU CA C 13 55.138 0 . 1 . . . . 117 Leu CA . 25417 1 1259 . 1 1 120 120 LEU CB C 13 42.072 0 . 1 . . . . 117 Leu CB . 25417 1 1260 . 1 1 121 121 SER H H 1 8.091 0.011 . 1 . . . . 118 Ser H . 25417 1 1261 . 1 1 121 121 SER CA C 13 58.04 0 . 1 . . . . 118 Ser CA . 25417 1 1262 . 1 1 121 121 SER CB C 13 63.809 0 . 1 . . . . 118 Ser CB . 25417 1 1263 . 1 1 121 121 SER N N 15 115.927 0.154 . 1 . . . . 118 Ser N . 25417 1 1264 . 1 1 122 122 SER H H 1 8.099 0.012 . 1 . . . . 119 Ser H . 25417 1 1265 . 1 1 122 122 SER CA C 13 56.189 0 . 1 . . . . 119 Ser CA . 25417 1 1266 . 1 1 122 122 SER CB C 13 63.072 0 . 1 . . . . 119 Ser CB . 25417 1 1267 . 1 1 122 122 SER N N 15 118.683 0.117 . 1 . . . . 119 Ser N . 25417 1 1268 . 1 1 125 125 PRO CA C 13 62.486 0 . 1 . . . . 122 Pro CA . 25417 1 1269 . 1 1 125 125 PRO CB C 13 31.5 0 . 1 . . . . 122 Pro CB . 25417 1 1270 . 1 1 126 126 ILE H H 1 8.126 0.014 . 1 . . . . 123 Ile H . 25417 1 1271 . 1 1 126 126 ILE CA C 13 58.471 0 . 1 . . . . 123 Ile CA . 25417 1 1272 . 1 1 126 126 ILE CB C 13 38.294 0 . 1 . . . . 123 Ile CB . 25417 1 1273 . 1 1 126 126 ILE N N 15 122.38 0.091 . 1 . . . . 123 Ile N . 25417 1 1274 . 1 1 127 127 PRO CA C 13 62.985 0 . 1 . . . . 124 Pro CA . 25417 1 1275 . 1 1 127 127 PRO CB C 13 31.703 0 . 1 . . . . 124 Pro CB . 25417 1 1276 . 1 1 128 128 GLU H H 1 8.374 0.007 . 1 . . . . 125 Glu H . 25417 1 1277 . 1 1 128 128 GLU CA C 13 56.304 0 . 1 . . . . 125 Glu CA . 25417 1 1278 . 1 1 128 128 GLU CB C 13 30.027 0 . 1 . . . . 125 Glu CB . 25417 1 1279 . 1 1 128 128 GLU N N 15 121.179 0.072 . 1 . . . . 125 Glu N . 25417 1 1280 . 1 1 129 129 ALA H H 1 8.247 0.01 . 1 . . . . 126 Ala H . 25417 1 1281 . 1 1 129 129 ALA CA C 13 51.975 0 . 1 . . . . 126 Ala CA . 25417 1 1282 . 1 1 129 129 ALA CB C 13 18.908 0 . 1 . . . . 126 Ala CB . 25417 1 1283 . 1 1 129 129 ALA N N 15 125.615 0.123 . 1 . . . . 126 Ala N . 25417 1 1284 . 1 1 130 130 VAL H H 1 8.098 0.009 . 1 . . . . 127 Val H . 25417 1 1285 . 1 1 130 130 VAL CA C 13 59.477 0 . 1 . . . . 127 Val CA . 25417 1 1286 . 1 1 130 130 VAL CB C 13 32.185 0 . 1 . . . . 127 Val CB . 25417 1 1287 . 1 1 130 130 VAL N N 15 121.379 0.116 . 1 . . . . 127 Val N . 25417 1 1288 . 1 1 131 131 PRO CA C 13 62.867 0 . 1 . . . . 128 Pro CA . 25417 1 1289 . 1 1 131 131 PRO CB C 13 31.726 0 . 1 . . . . 128 Pro CB . 25417 1 1290 . 1 1 132 132 ALA H H 1 8.403 0.008 . 1 . . . . 129 Ala H . 25417 1 1291 . 1 1 132 132 ALA CA C 13 52.258 0 . 1 . . . . 129 Ala CA . 25417 1 1292 . 1 1 132 132 ALA CB C 13 18.862 0 . 1 . . . . 129 Ala CB . 25417 1 1293 . 1 1 132 132 ALA N N 15 124.912 0.064 . 1 . . . . 129 Ala N . 25417 1 1294 . 1 1 133 133 THR H H 1 8.06 0.007 . 1 . . . . 130 Thr H . 25417 1 1295 . 1 1 133 133 THR CA C 13 61.439 0 . 1 . . . . 130 Thr CA . 25417 1 1296 . 1 1 133 133 THR CB C 13 69.536 0 . 1 . . . . 130 Thr CB . 25417 1 1297 . 1 1 133 133 THR N N 15 112.839 0.082 . 1 . . . . 130 Thr N . 25417 1 1298 . 1 1 134 134 ASP H H 1 8.249 0.008 . 1 . . . . 131 Asp H . 25417 1 1299 . 1 1 134 134 ASP CA C 13 53.884 0 . 1 . . . . 131 Asp CA . 25417 1 1300 . 1 1 134 134 ASP CB C 13 40.777 0 . 1 . . . . 131 Asp CB . 25417 1 1301 . 1 1 134 134 ASP N N 15 122.26 0.085 . 1 . . . . 131 Asp N . 25417 1 1302 . 1 1 135 135 SER H H 1 8.117 0.008 . 1 . . . . 132 Ser H . 25417 1 1303 . 1 1 135 135 SER CA C 13 56.141 0 . 1 . . . . 132 Ser CA . 25417 1 1304 . 1 1 135 135 SER CB C 13 63.179 0 . 1 . . . . 132 Ser CB . 25417 1 1305 . 1 1 135 135 SER N N 15 116.892 0.095 . 1 . . . . 132 Ser N . 25417 1 1306 . 1 1 138 138 HIS CA C 13 58.991 0 . 1 . . . . 135 His CA . 25417 1 1307 . 1 1 138 138 HIS CB C 13 31.581 0 . 1 . . . . 135 His CB . 25417 1 1308 . 1 1 139 139 SER H H 1 8.261 0.008 . 1 . . . . 136 Ser H . 25417 1 1309 . 1 1 139 139 SER CA C 13 58.151 0 . 1 . . . . 136 Ser CA . 25417 1 1310 . 1 1 139 139 SER CB C 13 63.342 0 . 1 . . . . 136 Ser CB . 25417 1 1311 . 1 1 139 139 SER N N 15 115.285 0.089 . 1 . . . . 136 Ser N . 25417 1 1312 . 1 1 140 140 LEU H H 1 8.226 0.011 . 1 . . . . 137 Leu H . 25417 1 1313 . 1 1 140 140 LEU CA C 13 55.158 0 . 1 . . . . 137 Leu CA . 25417 1 1314 . 1 1 140 140 LEU CB C 13 42.107 0 . 1 . . . . 137 Leu CB . 25417 1 1315 . 1 1 140 140 LEU N N 15 123.705 0.101 . 1 . . . . 137 Leu N . 25417 1 1316 . 1 1 141 141 ASN H H 1 8.324 0.011 . 1 . . . . 138 Asn H . 25417 1 1317 . 1 1 141 141 ASN CA C 13 52.976 0 . 1 . . . . 138 Asn CA . 25417 1 1318 . 1 1 141 141 ASN CB C 13 38.186 0 . 1 . . . . 138 Asn CB . 25417 1 1319 . 1 1 141 141 ASN N N 15 119.406 0.091 . 1 . . . . 138 Asn N . 25417 1 1320 . 1 1 142 142 ILE H H 1 7.957 0.008 . 1 . . . . 139 Ile H . 25417 1 1321 . 1 1 142 142 ILE CA C 13 61.094 0 . 1 . . . . 139 Ile CA . 25417 1 1322 . 1 1 142 142 ILE CB C 13 38.257 0 . 1 . . . . 139 Ile CB . 25417 1 1323 . 1 1 142 142 ILE N N 15 120.995 0.143 . 1 . . . . 139 Ile N . 25417 1 1324 . 1 1 143 143 GLN H H 1 8.364 0.005 . 1 . . . . 140 Gln H . 25417 1 1325 . 1 1 143 143 GLN CA C 13 55.692 0 . 1 . . . . 140 Gln CA . 25417 1 1326 . 1 1 143 143 GLN CB C 13 28.979 0 . 1 . . . . 140 Gln CB . 25417 1 1327 . 1 1 143 143 GLN N N 15 123.732 0.088 . 1 . . . . 140 Gln N . 25417 1 1328 . 1 1 144 144 ASN H H 1 8.4 0.013 . 1 . . . . 141 Asn H . 25417 1 1329 . 1 1 144 144 ASN CA C 13 53.215 0 . 1 . . . . 141 Asn CA . 25417 1 1330 . 1 1 144 144 ASN CB C 13 38.566 0 . 1 . . . . 141 Asn CB . 25417 1 1331 . 1 1 144 144 ASN N N 15 120.33 0.124 . 1 . . . . 141 Asn N . 25417 1 1332 . 1 1 145 145 THR H H 1 8.047 0.013 . 1 . . . . 142 Thr H . 25417 1 1333 . 1 1 145 145 THR CA C 13 61.422 0 . 1 . . . . 142 Thr CA . 25417 1 1334 . 1 1 145 145 THR CB C 13 69.594 0 . 1 . . . . 142 Thr CB . 25417 1 1335 . 1 1 145 145 THR N N 15 114.496 0.09 . 1 . . . . 142 Thr N . 25417 1 1336 . 1 1 146 146 ALA H H 1 8.244 0.006 . 1 . . . . 143 Ala H . 25417 1 1337 . 1 1 146 146 ALA CA C 13 52.127 0 . 1 . . . . 143 Ala CA . 25417 1 1338 . 1 1 146 146 ALA CB C 13 18.887 0 . 1 . . . . 143 Ala CB . 25417 1 1339 . 1 1 146 146 ALA N N 15 126.504 0.172 . 1 . . . . 143 Ala N . 25417 1 1340 . 1 1 147 147 THR H H 1 8.106 0.012 . 1 . . . . 144 Thr H . 25417 1 1341 . 1 1 147 147 THR CA C 13 59.524 0 . 1 . . . . 144 Thr CA . 25417 1 1342 . 1 1 147 147 THR CB C 13 69.442 0 . 1 . . . . 144 Thr CB . 25417 1 1343 . 1 1 147 147 THR N N 15 116.737 0.102 . 1 . . . . 144 Thr N . 25417 1 1344 . 1 1 149 149 PRO CA C 13 63.008 0 . 1 . . . . 146 Pro CA . 25417 1 1345 . 1 1 149 149 PRO CB C 13 31.563 0 . 1 . . . . 146 Pro CB . 25417 1 1346 . 1 1 150 150 GLU H H 1 8.505 0.008 . 1 . . . . 147 Glu H . 25417 1 1347 . 1 1 150 150 GLU CA C 13 56.559 0 . 1 . . . . 147 Glu CA . 25417 1 1348 . 1 1 150 150 GLU CB C 13 29.7 0 . 1 . . . . 147 Glu CB . 25417 1 1349 . 1 1 150 150 GLU N N 15 120.599 0.074 . 1 . . . . 147 Glu N . 25417 1 1350 . 1 1 151 151 GLN H H 1 8.3 0.007 . 1 . . . . 148 Gln H . 25417 1 1351 . 1 1 151 151 GLN CA C 13 55.065 0 . 1 . . . . 148 Gln CA . 25417 1 1352 . 1 1 151 151 GLN CB C 13 29.253 0 . 1 . . . . 148 Gln CB . 25417 1 1353 . 1 1 151 151 GLN N N 15 121.304 0.103 . 1 . . . . 148 Gln N . 25417 1 1354 . 1 1 152 152 SER H H 1 8.285 0.011 . 1 . . . . 149 Ser H . 25417 1 1355 . 1 1 152 152 SER CA C 13 56.021 0 . 1 . . . . 149 Ser CA . 25417 1 1356 . 1 1 152 152 SER CB C 13 63.199 0 . 1 . . . . 149 Ser CB . 25417 1 1357 . 1 1 152 152 SER N N 15 118.523 0.114 . 1 . . . . 149 Ser N . 25417 1 1358 . 1 1 153 153 PRO CA C 13 63.18 0 . 1 . . . . 150 Pro CA . 25417 1 1359 . 1 1 153 153 PRO CB C 13 31.142 0 . 1 . . . . 150 Pro CB . 25417 1 1360 . 1 1 154 154 VAL CA C 13 61.931 0 . 1 . . . . 151 Val CA . 25417 1 1361 . 1 1 154 154 VAL CB C 13 32.685 0 . 1 . . . . 151 Val CB . 25417 1 1362 . 1 1 155 155 LYS H H 1 8.24 0.023 . 1 . . . . 152 Lys H . 25417 1 1363 . 1 1 155 155 LYS CA C 13 55.995 0 . 1 . . . . 152 Lys CA . 25417 1 1364 . 1 1 155 155 LYS CB C 13 32.558 0 . 1 . . . . 152 Lys CB . 25417 1 1365 . 1 1 155 155 LYS N N 15 123.495 0.228 . 1 . . . . 152 Lys N . 25417 1 1366 . 1 1 156 156 SER H H 1 8.196 0.018 . 1 . . . . 153 Ser H . 25417 1 1367 . 1 1 156 156 SER CA C 13 57.959 0 . 1 . . . . 153 Ser CA . 25417 1 1368 . 1 1 156 156 SER CB C 13 63.523 0 . 1 . . . . 153 Ser CB . 25417 1 1369 . 1 1 156 156 SER N N 15 116.557 0.123 . 1 . . . . 153 Ser N . 25417 1 1370 . 1 1 157 157 LYS H H 1 8.164 0.02 . 1 . . . . 154 Lys H . 25417 1 1371 . 1 1 157 157 LYS CA C 13 56.428 0 . 1 . . . . 154 Lys CA . 25417 1 1372 . 1 1 157 157 LYS CB C 13 32.635 0 . 1 . . . . 154 Lys CB . 25417 1 1373 . 1 1 157 157 LYS N N 15 123.066 0.088 . 1 . . . . 154 Lys N . 25417 1 1374 . 1 1 158 158 ARG H H 1 8.131 0.021 . 1 . . . . 155 Arg H . 25417 1 1375 . 1 1 158 158 ARG CA C 13 55.979 0 . 1 . . . . 155 Arg CA . 25417 1 1376 . 1 1 158 158 ARG CB C 13 30.642 0 . 1 . . . . 155 Arg CB . 25417 1 1377 . 1 1 158 158 ARG N N 15 121.969 0.11 . 1 . . . . 155 Arg N . 25417 1 1378 . 1 1 159 159 PHE H H 1 8.212 0.012 . 1 . . . . 156 Phe H . 25417 1 1379 . 1 1 159 159 PHE CA C 13 57.284 0 . 1 . . . . 156 Phe CA . 25417 1 1380 . 1 1 159 159 PHE CB C 13 39.265 0 . 1 . . . . 156 Phe CB . 25417 1 1381 . 1 1 159 159 PHE N N 15 121.152 0.145 . 1 . . . . 156 Phe N . 25417 1 1382 . 1 1 160 160 THR H H 1 7.977 0.008 . 1 . . . . 157 Thr H . 25417 1 1383 . 1 1 160 160 THR CA C 13 61.284 0 . 1 . . . . 157 Thr CA . 25417 1 1384 . 1 1 160 160 THR CB C 13 69.727 0 . 1 . . . . 157 Thr CB . 25417 1 1385 . 1 1 160 160 THR N N 15 115.434 0.114 . 1 . . . . 157 Thr N . 25417 1 1386 . 1 1 161 161 THR H H 1 7.957 0.019 . 1 . . . . 158 Thr H . 25417 1 1387 . 1 1 161 161 THR CA C 13 61.318 0 . 1 . . . . 158 Thr CA . 25417 1 1388 . 1 1 161 161 THR CB C 13 69.588 0 . 1 . . . . 158 Thr CB . 25417 1 1389 . 1 1 161 161 THR N N 15 115.937 0.075 . 1 . . . . 158 Thr N . 25417 1 1390 . 1 1 162 162 PHE H H 1 7.696 0.017 . 1 . . . . 159 Phe H . 25417 1 1391 . 1 1 162 162 PHE CA C 13 59.131 0 . 1 . . . . 159 Phe CA . 25417 1 1392 . 1 1 162 162 PHE CB C 13 39.898 0 . 1 . . . . 159 Phe CB . 25417 1 1393 . 1 1 162 162 PHE N N 15 126.898 0.112 . 1 . . . . 159 Phe N . 25417 1 stop_ save_