data_6198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6198 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for TM1816 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-27 _Entry.Accession_date 2004-05-04 _Entry.Last_release_date 2005-08-22 _Entry.Original_release_date 2005-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Linda Columbus . . . 6198 2 Wolfgang Peti . . . 6198 3 Torsten Herrmann . . . 6198 4 Touraj Etazady . . . 6198 5 Heath Klock . . . 6198 6 Scott Lesley . . . 6198 7 Kurt Wuthrich . . . 6198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 716 6198 '13C chemical shifts' 461 6198 '15N chemical shifts' 104 6198 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-08-22 2004-04-27 original author . 6198 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5560 'homologous T. maritima protein TM1290' 6198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15937903 _Citation.Full_citation . _Citation.Title 'NMR structure determination of the conserved hypothetical protein TM1816 from Thermotoga maritima' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 552 _Citation.Page_last 557 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Linda Columbus . . . 6198 1 2 Wolfgang Peti . . . 6198 1 3 Touraj Etezady-Esfarjani . . . 6198 1 4 Torsten Herrmann . . . 6198 1 5 Kurt Wuthrich . . . 6198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TM1816 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TM1816 _Assembly.Entry_ID 6198 _Assembly.ID 1 _Assembly.Name 'TM1816 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 12810 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6198 1 stop_ 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 'TM1816 polypeptide' 1 $TM1816 . . . native . . . . . 6198 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TM1816 monomer' system 6198 1 'LEKTI Domain 15 short' abbreviation 6198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1816 _Entity.Sf_category entity _Entity.Sf_framecode TM1816 _Entity.Entry_ID 6198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1816 _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 ; MIIAIPVSENRGKDSPISEH FGRAPYFAFVKVKNNAIADI SVEENPLAQDHVHGAVPNFV KEKGAELVIVRGIGRRAIAA FEAMGVKVIKGASGTVEEVV NQYLSGQLKDSDYEVHDHHH HEHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12810 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1O13 . "Crystal Structure Of A Putative Dinitrogenase Iron-Molybdenum Cofactor (Tm1816) From Thermotoga Maritima At 1.83 A Resolution" . . . . . 99.19 136 99.19 99.19 1.12e-79 . . . . 6198 1 2 no PDB 1T3V . "The Nmr Solution Structure Of Tm1816" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 3 no GB AAD36879 . "conserved hypothetical protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 4 no GB ADA67099 . "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga naphthophila RKU-10]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 5 no GB AGL50750 . "hypothetical protein Tmari_1826 [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 6 no GB AHD18291 . "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 7 no REF NP_229613 . "hypothetical protein TM1816 [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 8 no REF WP_004082362 . "MULTISPECIES: Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 9 no REF YP_003346513 . "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga naphthophila RKU-10]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 10 no REF YP_007978175 . "hypothetical protein Tmari_1826 [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 11 no REF YP_008991085 . "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 2.38e-82 . . . . 6198 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TM1816 common 6198 1 TM1816 variant 6198 1 TM1816 abbreviation 6198 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 6198 1 2 2 ILE . 6198 1 3 3 ILE . 6198 1 4 4 ALA . 6198 1 5 5 ILE . 6198 1 6 6 PRO . 6198 1 7 7 VAL . 6198 1 8 8 SER . 6198 1 9 9 GLU . 6198 1 10 10 ASN . 6198 1 11 11 ARG . 6198 1 12 12 GLY . 6198 1 13 13 LYS . 6198 1 14 14 ASP . 6198 1 15 15 SER . 6198 1 16 16 PRO . 6198 1 17 17 ILE . 6198 1 18 18 SER . 6198 1 19 19 GLU . 6198 1 20 20 HIS . 6198 1 21 21 PHE . 6198 1 22 22 GLY . 6198 1 23 23 ARG . 6198 1 24 24 ALA . 6198 1 25 25 PRO . 6198 1 26 26 TYR . 6198 1 27 27 PHE . 6198 1 28 28 ALA . 6198 1 29 29 PHE . 6198 1 30 30 VAL . 6198 1 31 31 LYS . 6198 1 32 32 VAL . 6198 1 33 33 LYS . 6198 1 34 34 ASN . 6198 1 35 35 ASN . 6198 1 36 36 ALA . 6198 1 37 37 ILE . 6198 1 38 38 ALA . 6198 1 39 39 ASP . 6198 1 40 40 ILE . 6198 1 41 41 SER . 6198 1 42 42 VAL . 6198 1 43 43 GLU . 6198 1 44 44 GLU . 6198 1 45 45 ASN . 6198 1 46 46 PRO . 6198 1 47 47 LEU . 6198 1 48 48 ALA . 6198 1 49 49 GLN . 6198 1 50 50 ASP . 6198 1 51 51 HIS . 6198 1 52 52 VAL . 6198 1 53 53 HIS . 6198 1 54 54 GLY . 6198 1 55 55 ALA . 6198 1 56 56 VAL . 6198 1 57 57 PRO . 6198 1 58 58 ASN . 6198 1 59 59 PHE . 6198 1 60 60 VAL . 6198 1 61 61 LYS . 6198 1 62 62 GLU . 6198 1 63 63 LYS . 6198 1 64 64 GLY . 6198 1 65 65 ALA . 6198 1 66 66 GLU . 6198 1 67 67 LEU . 6198 1 68 68 VAL . 6198 1 69 69 ILE . 6198 1 70 70 VAL . 6198 1 71 71 ARG . 6198 1 72 72 GLY . 6198 1 73 73 ILE . 6198 1 74 74 GLY . 6198 1 75 75 ARG . 6198 1 76 76 ARG . 6198 1 77 77 ALA . 6198 1 78 78 ILE . 6198 1 79 79 ALA . 6198 1 80 80 ALA . 6198 1 81 81 PHE . 6198 1 82 82 GLU . 6198 1 83 83 ALA . 6198 1 84 84 MET . 6198 1 85 85 GLY . 6198 1 86 86 VAL . 6198 1 87 87 LYS . 6198 1 88 88 VAL . 6198 1 89 89 ILE . 6198 1 90 90 LYS . 6198 1 91 91 GLY . 6198 1 92 92 ALA . 6198 1 93 93 SER . 6198 1 94 94 GLY . 6198 1 95 95 THR . 6198 1 96 96 VAL . 6198 1 97 97 GLU . 6198 1 98 98 GLU . 6198 1 99 99 VAL . 6198 1 100 100 VAL . 6198 1 101 101 ASN . 6198 1 102 102 GLN . 6198 1 103 103 TYR . 6198 1 104 104 LEU . 6198 1 105 105 SER . 6198 1 106 106 GLY . 6198 1 107 107 GLN . 6198 1 108 108 LEU . 6198 1 109 109 LYS . 6198 1 110 110 ASP . 6198 1 111 111 SER . 6198 1 112 112 ASP . 6198 1 113 113 TYR . 6198 1 114 114 GLU . 6198 1 115 115 VAL . 6198 1 116 116 HIS . 6198 1 117 117 ASP . 6198 1 118 118 HIS . 6198 1 119 119 HIS . 6198 1 120 120 HIS . 6198 1 121 121 HIS . 6198 1 122 122 GLU . 6198 1 123 123 HIS . 6198 1 124 124 HIS . 6198 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6198 1 . ILE 2 2 6198 1 . ILE 3 3 6198 1 . ALA 4 4 6198 1 . ILE 5 5 6198 1 . PRO 6 6 6198 1 . VAL 7 7 6198 1 . SER 8 8 6198 1 . GLU 9 9 6198 1 . ASN 10 10 6198 1 . ARG 11 11 6198 1 . GLY 12 12 6198 1 . LYS 13 13 6198 1 . ASP 14 14 6198 1 . SER 15 15 6198 1 . PRO 16 16 6198 1 . ILE 17 17 6198 1 . SER 18 18 6198 1 . GLU 19 19 6198 1 . HIS 20 20 6198 1 . PHE 21 21 6198 1 . GLY 22 22 6198 1 . ARG 23 23 6198 1 . ALA 24 24 6198 1 . PRO 25 25 6198 1 . TYR 26 26 6198 1 . PHE 27 27 6198 1 . ALA 28 28 6198 1 . PHE 29 29 6198 1 . VAL 30 30 6198 1 . LYS 31 31 6198 1 . VAL 32 32 6198 1 . LYS 33 33 6198 1 . ASN 34 34 6198 1 . ASN 35 35 6198 1 . ALA 36 36 6198 1 . ILE 37 37 6198 1 . ALA 38 38 6198 1 . ASP 39 39 6198 1 . ILE 40 40 6198 1 . SER 41 41 6198 1 . VAL 42 42 6198 1 . GLU 43 43 6198 1 . GLU 44 44 6198 1 . ASN 45 45 6198 1 . PRO 46 46 6198 1 . LEU 47 47 6198 1 . ALA 48 48 6198 1 . GLN 49 49 6198 1 . ASP 50 50 6198 1 . HIS 51 51 6198 1 . VAL 52 52 6198 1 . HIS 53 53 6198 1 . GLY 54 54 6198 1 . ALA 55 55 6198 1 . VAL 56 56 6198 1 . PRO 57 57 6198 1 . ASN 58 58 6198 1 . PHE 59 59 6198 1 . VAL 60 60 6198 1 . LYS 61 61 6198 1 . GLU 62 62 6198 1 . LYS 63 63 6198 1 . GLY 64 64 6198 1 . ALA 65 65 6198 1 . GLU 66 66 6198 1 . LEU 67 67 6198 1 . VAL 68 68 6198 1 . ILE 69 69 6198 1 . VAL 70 70 6198 1 . ARG 71 71 6198 1 . GLY 72 72 6198 1 . ILE 73 73 6198 1 . GLY 74 74 6198 1 . ARG 75 75 6198 1 . ARG 76 76 6198 1 . ALA 77 77 6198 1 . ILE 78 78 6198 1 . ALA 79 79 6198 1 . ALA 80 80 6198 1 . PHE 81 81 6198 1 . GLU 82 82 6198 1 . ALA 83 83 6198 1 . MET 84 84 6198 1 . GLY 85 85 6198 1 . VAL 86 86 6198 1 . LYS 87 87 6198 1 . VAL 88 88 6198 1 . ILE 89 89 6198 1 . LYS 90 90 6198 1 . GLY 91 91 6198 1 . ALA 92 92 6198 1 . SER 93 93 6198 1 . GLY 94 94 6198 1 . THR 95 95 6198 1 . VAL 96 96 6198 1 . GLU 97 97 6198 1 . GLU 98 98 6198 1 . VAL 99 99 6198 1 . VAL 100 100 6198 1 . ASN 101 101 6198 1 . GLN 102 102 6198 1 . TYR 103 103 6198 1 . LEU 104 104 6198 1 . SER 105 105 6198 1 . GLY 106 106 6198 1 . GLN 107 107 6198 1 . LEU 108 108 6198 1 . LYS 109 109 6198 1 . ASP 110 110 6198 1 . SER 111 111 6198 1 . ASP 112 112 6198 1 . TYR 113 113 6198 1 . GLU 114 114 6198 1 . VAL 115 115 6198 1 . HIS 116 116 6198 1 . ASP 117 117 6198 1 . HIS 118 118 6198 1 . HIS 119 119 6198 1 . HIS 120 120 6198 1 . HIS 121 121 6198 1 . GLU 122 122 6198 1 . HIS 123 123 6198 1 . HIS 124 124 6198 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 6198 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TM1816 . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 6198 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 6198 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TM1816 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6198 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TM1816 [U-15N] . . 1 $TM1816 . . 4.0 . . mM . . . . 6198 1 2 'Na phosphate' . . . . . . . 20 . . mM . . . . 6198 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6198 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TM1816 '[U-13C; U-15N]' . . 1 $TM1816 . . 2.1 . . mM . . . . 6198 2 2 'Na phosphate' . . . . . . . 20 . . mM . . . . 6198 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6198 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 0.01 pH 6198 1 temperature 313 1 K 6198 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AVANCE_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AVANCE_600 _NMR_spectrometer.Entry_ID 6198 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6198 _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 AVANCE_600 Bruker AVANCE . 600 . . . 6198 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 6198 _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 HNCACB . 1 $HNCACB . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $AVANCE_600 . . . . . . . . . . . . . . . . 6198 1 stop_ save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6198 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $AVANCE_600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6198 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6198 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6198 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6198 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6198 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.351 0.2 . 1 . . . . 1 . . . 6198 1 2 . 1 1 1 1 MET HA H 1 4.228 0.05 . 1 . . . . 1 . . . 6198 1 3 . 1 1 1 1 MET CB C 13 34.257 0.2 . 1 . . . . 1 . . . 6198 1 4 . 1 1 1 1 MET HB2 H 1 2.195 0.05 . 2 . . . . 1 . . . 6198 1 5 . 1 1 1 1 MET HB3 H 1 1.971 0.05 . 2 . . . . 1 . . . 6198 1 6 . 1 1 1 1 MET CG C 13 30.403 0.2 . 1 . . . . 1 . . . 6198 1 7 . 1 1 1 1 MET HG2 H 1 2.373 0.05 . 2 . . . . 1 . . . 6198 1 8 . 1 1 1 1 MET HG3 H 1 2.339 0.05 . 2 . . . . 1 . . . 6198 1 9 . 1 1 1 1 MET C C 13 171.760 0.2 . 1 . . . . 1 . . . 6198 1 10 . 1 1 2 2 ILE N N 15 126.962 0.05 . 1 . . . . 2 . . . 6198 1 11 . 1 1 2 2 ILE H H 1 8.791 0.05 . 1 . . . . 2 . . . 6198 1 12 . 1 1 2 2 ILE CA C 13 59.581 0.2 . 1 . . . . 2 . . . 6198 1 13 . 1 1 2 2 ILE HA H 1 5.111 0.05 . 1 . . . . 2 . . . 6198 1 14 . 1 1 2 2 ILE CB C 13 38.111 0.2 . 1 . . . . 2 . . . 6198 1 15 . 1 1 2 2 ILE HB H 1 1.866 0.05 . 1 . . . . 2 . . . 6198 1 16 . 1 1 2 2 ILE HG21 H 1 0.770 0.05 . 1 . . . . 2 . . . 6198 1 17 . 1 1 2 2 ILE HG22 H 1 0.770 0.05 . 1 . . . . 2 . . . 6198 1 18 . 1 1 2 2 ILE HG23 H 1 0.770 0.05 . 1 . . . . 2 . . . 6198 1 19 . 1 1 2 2 ILE CG2 C 13 16.535 0.2 . 1 . . . . 2 . . . 6198 1 20 . 1 1 2 2 ILE CG1 C 13 27.376 0.2 . 1 . . . . 2 . . . 6198 1 21 . 1 1 2 2 ILE HG12 H 1 1.619 0.05 . 2 . . . . 2 . . . 6198 1 22 . 1 1 2 2 ILE HG13 H 1 1.022 0.05 . 2 . . . . 2 . . . 6198 1 23 . 1 1 2 2 ILE HD11 H 1 0.832 0.05 . 1 . . . . 2 . . . 6198 1 24 . 1 1 2 2 ILE HD12 H 1 0.832 0.05 . 1 . . . . 2 . . . 6198 1 25 . 1 1 2 2 ILE HD13 H 1 0.832 0.05 . 1 . . . . 2 . . . 6198 1 26 . 1 1 2 2 ILE CD1 C 13 11.580 0.2 . 1 . . . . 2 . . . 6198 1 27 . 1 1 2 2 ILE C C 13 174.037 0.2 . 1 . . . . 2 . . . 6198 1 28 . 1 1 3 3 ILE N N 15 129.097 0.05 . 1 . . . . 3 . . . 6198 1 29 . 1 1 3 3 ILE H H 1 9.202 0.05 . 1 . . . . 3 . . . 6198 1 30 . 1 1 3 3 ILE CA C 13 58.755 0.2 . 1 . . . . 3 . . . 6198 1 31 . 1 1 3 3 ILE HA H 1 4.843 0.05 . 1 . . . . 3 . . . 6198 1 32 . 1 1 3 3 ILE CB C 13 40.483 0.2 . 1 . . . . 3 . . . 6198 1 33 . 1 1 3 3 ILE HB H 1 1.459 0.05 . 1 . . . . 3 . . . 6198 1 34 . 1 1 3 3 ILE HG21 H 1 0.556 0.05 . 1 . . . . 3 . . . 6198 1 35 . 1 1 3 3 ILE HG22 H 1 0.556 0.05 . 1 . . . . 3 . . . 6198 1 36 . 1 1 3 3 ILE HG23 H 1 0.556 0.05 . 1 . . . . 3 . . . 6198 1 37 . 1 1 3 3 ILE CG2 C 13 15.815 0.2 . 1 . . . . 3 . . . 6198 1 38 . 1 1 3 3 ILE CG1 C 13 26.720 0.2 . 1 . . . . 3 . . . 6198 1 39 . 1 1 3 3 ILE HG12 H 1 1.579 0.05 . 2 . . . . 3 . . . 6198 1 40 . 1 1 3 3 ILE HG13 H 1 0.719 0.05 . 2 . . . . 3 . . . 6198 1 41 . 1 1 3 3 ILE HD11 H 1 0.602 0.05 . 1 . . . . 3 . . . 6198 1 42 . 1 1 3 3 ILE HD12 H 1 0.602 0.05 . 1 . . . . 3 . . . 6198 1 43 . 1 1 3 3 ILE HD13 H 1 0.602 0.05 . 1 . . . . 3 . . . 6198 1 44 . 1 1 3 3 ILE CD1 C 13 13.782 0.2 . 1 . . . . 3 . . . 6198 1 45 . 1 1 3 3 ILE C C 13 174.065 0.2 . 1 . . . . 3 . . . 6198 1 46 . 1 1 4 4 ALA N N 15 128.988 0.05 . 1 . . . . 4 . . . 6198 1 47 . 1 1 4 4 ALA H H 1 8.804 0.05 . 1 . . . . 4 . . . 6198 1 48 . 1 1 4 4 ALA CA C 13 48.846 0.2 . 1 . . . . 4 . . . 6198 1 49 . 1 1 4 4 ALA HA H 1 5.553 0.05 . 1 . . . . 4 . . . 6198 1 50 . 1 1 4 4 ALA HB1 H 1 1.097 0.05 . 1 . . . . 4 . . . 6198 1 51 . 1 1 4 4 ALA HB2 H 1 1.097 0.05 . 1 . . . . 4 . . . 6198 1 52 . 1 1 4 4 ALA HB3 H 1 1.097 0.05 . 1 . . . . 4 . . . 6198 1 53 . 1 1 4 4 ALA CB C 13 23.247 0.2 . 1 . . . . 4 . . . 6198 1 54 . 1 1 4 4 ALA C C 13 175.691 0.2 . 1 . . . . 4 . . . 6198 1 55 . 1 1 5 5 ILE N N 15 120.029 0.05 . 1 . . . . 5 . . . 6198 1 56 . 1 1 5 5 ILE H H 1 8.677 0.05 . 1 . . . . 5 . . . 6198 1 57 . 1 1 5 5 ILE CA C 13 57.104 0.2 . 1 . . . . 5 . . . 6198 1 58 . 1 1 5 5 ILE HA H 1 5.320 0.05 . 1 . . . . 5 . . . 6198 1 59 . 1 1 5 5 ILE CB C 13 43.891 0.2 . 1 . . . . 5 . . . 6198 1 60 . 1 1 5 5 ILE HB H 1 1.530 0.05 . 1 . . . . 5 . . . 6198 1 61 . 1 1 5 5 ILE HG21 H 1 0.806 0.05 . 1 . . . . 5 . . . 6198 1 62 . 1 1 5 5 ILE HG22 H 1 0.806 0.05 . 1 . . . . 5 . . . 6198 1 63 . 1 1 5 5 ILE HG23 H 1 0.806 0.05 . 1 . . . . 5 . . . 6198 1 64 . 1 1 5 5 ILE CG2 C 13 16.365 0.2 . 1 . . . . 5 . . . 6198 1 65 . 1 1 5 5 ILE CG1 C 13 27.651 0.2 . 1 . . . . 5 . . . 6198 1 66 . 1 1 5 5 ILE HG12 H 1 1.411 0.05 . 2 . . . . 5 . . . 6198 1 67 . 1 1 5 5 ILE HG13 H 1 1.038 0.05 . 2 . . . . 5 . . . 6198 1 68 . 1 1 5 5 ILE HD11 H 1 0.609 0.05 . 1 . . . . 5 . . . 6198 1 69 . 1 1 5 5 ILE HD12 H 1 0.609 0.05 . 1 . . . . 5 . . . 6198 1 70 . 1 1 5 5 ILE HD13 H 1 0.609 0.05 . 1 . . . . 5 . . . 6198 1 71 . 1 1 5 5 ILE CD1 C 13 15.539 0.2 . 1 . . . . 5 . . . 6198 1 72 . 1 1 6 6 PRO CD C 13 50.222 0.2 . 1 . . . . 6 . . . 6198 1 73 . 1 1 6 6 PRO CA C 13 61.403 0.2 . 1 . . . . 6 . . . 6198 1 74 . 1 1 6 6 PRO HA H 1 4.052 0.05 . 1 . . . . 6 . . . 6198 1 75 . 1 1 6 6 PRO CB C 13 31.504 0.2 . 1 . . . . 6 . . . 6198 1 76 . 1 1 6 6 PRO HB2 H 1 1.855 0.05 . 2 . . . . 6 . . . 6198 1 77 . 1 1 6 6 PRO HB3 H 1 1.735 0.05 . 2 . . . . 6 . . . 6198 1 78 . 1 1 6 6 PRO CG C 13 27.376 0.2 . 1 . . . . 6 . . . 6198 1 79 . 1 1 6 6 PRO HG2 H 1 2.678 0.05 . 2 . . . . 6 . . . 6198 1 80 . 1 1 6 6 PRO HG3 H 1 2.270 0.05 . 2 . . . . 6 . . . 6198 1 81 . 1 1 6 6 PRO HD2 H 1 4.895 0.05 . 2 . . . . 6 . . . 6198 1 82 . 1 1 6 6 PRO HD3 H 1 3.550 0.05 . 2 . . . . 6 . . . 6198 1 83 . 1 1 6 6 PRO C C 13 175.897 0.2 . 1 . . . . 6 . . . 6198 1 84 . 1 1 7 7 VAL N N 15 116.072 0.05 . 1 . . . . 7 . . . 6198 1 85 . 1 1 7 7 VAL H H 1 8.430 0.05 . 1 . . . . 7 . . . 6198 1 86 . 1 1 7 7 VAL CA C 13 58.480 0.2 . 1 . . . . 7 . . . 6198 1 87 . 1 1 7 7 VAL HA H 1 5.212 0.05 . 1 . . . . 7 . . . 6198 1 88 . 1 1 7 7 VAL CB C 13 35.358 0.2 . 1 . . . . 7 . . . 6198 1 89 . 1 1 7 7 VAL HB H 1 2.056 0.05 . 1 . . . . 7 . . . 6198 1 90 . 1 1 7 7 VAL HG11 H 1 0.500 0.05 . 2 . . . . 7 . . . 6198 1 91 . 1 1 7 7 VAL HG12 H 1 0.500 0.05 . 2 . . . . 7 . . . 6198 1 92 . 1 1 7 7 VAL HG13 H 1 0.500 0.05 . 2 . . . . 7 . . . 6198 1 93 . 1 1 7 7 VAL HG21 H 1 0.507 0.05 . 2 . . . . 7 . . . 6198 1 94 . 1 1 7 7 VAL HG22 H 1 0.507 0.05 . 2 . . . . 7 . . . 6198 1 95 . 1 1 7 7 VAL HG23 H 1 0.507 0.05 . 2 . . . . 7 . . . 6198 1 96 . 1 1 7 7 VAL CG1 C 13 21.595 0.2 . 1 . . . . 7 . . . 6198 1 97 . 1 1 7 7 VAL CG2 C 13 19.393 0.2 . 1 . . . . 7 . . . 6198 1 98 . 1 1 7 7 VAL C C 13 175.150 0.2 . 1 . . . . 7 . . . 6198 1 99 . 1 1 8 8 SER N N 15 112.730 0.05 . 1 . . . . 8 . . . 6198 1 100 . 1 1 8 8 SER H H 1 8.219 0.05 . 1 . . . . 8 . . . 6198 1 101 . 1 1 8 8 SER CA C 13 58.480 0.2 . 1 . . . . 8 . . . 6198 1 102 . 1 1 8 8 SER HA H 1 4.393 0.05 . 1 . . . . 8 . . . 6198 1 103 . 1 1 8 8 SER HB2 H 1 4.011 0.05 . 2 . . . . 8 . . . 6198 1 104 . 1 1 8 8 SER HB3 H 1 3.776 0.05 . 2 . . . . 8 . . . 6198 1 105 . 1 1 8 8 SER C C 13 173.283 0.2 . 1 . . . . 8 . . . 6198 1 106 . 1 1 9 9 GLU N N 15 116.706 0.05 . 1 . . . . 9 . . . 6198 1 107 . 1 1 9 9 GLU H H 1 7.263 0.05 . 1 . . . . 9 . . . 6198 1 108 . 1 1 9 9 GLU CA C 13 54.076 0.2 . 1 . . . . 9 . . . 6198 1 109 . 1 1 9 9 GLU HA H 1 4.358 0.05 . 1 . . . . 9 . . . 6198 1 110 . 1 1 9 9 GLU CB C 13 33.156 0.2 . 1 . . . . 9 . . . 6198 1 111 . 1 1 9 9 GLU HB2 H 1 1.878 0.05 . 2 . . . . 9 . . . 6198 1 112 . 1 1 9 9 GLU HB3 H 1 1.637 0.05 . 2 . . . . 9 . . . 6198 1 113 . 1 1 9 9 GLU CG C 13 35.358 0.2 . 1 . . . . 9 . . . 6198 1 114 . 1 1 9 9 GLU HG2 H 1 2.106 0.05 . 2 . . . . 9 . . . 6198 1 115 . 1 1 9 9 GLU HG3 H 1 2.036 0.05 . 2 . . . . 9 . . . 6198 1 116 . 1 1 9 9 GLU C C 13 172.300 0.2 . 1 . . . . 9 . . . 6198 1 117 . 1 1 10 10 ASN N N 15 117.957 0.05 . 1 . . . . 10 . . . 6198 1 118 . 1 1 10 10 ASN H H 1 8.280 0.05 . 1 . . . . 10 . . . 6198 1 119 . 1 1 10 10 ASN CA C 13 50.498 0.2 . 1 . . . . 10 . . . 6198 1 120 . 1 1 10 10 ASN HA H 1 4.306 0.05 . 1 . . . . 10 . . . 6198 1 121 . 1 1 10 10 ASN CB C 13 35.358 0.2 . 1 . . . . 10 . . . 6198 1 122 . 1 1 10 10 ASN HB2 H 1 2.625 0.05 . 2 . . . . 10 . . . 6198 1 123 . 1 1 10 10 ASN HB3 H 1 0.992 0.05 . 2 . . . . 10 . . . 6198 1 124 . 1 1 10 10 ASN C C 13 174.451 0.2 . 1 . . . . 10 . . . 6198 1 125 . 1 1 11 11 ARG N N 15 126.818 0.05 . 1 . . . . 11 . . . 6198 1 126 . 1 1 11 11 ARG H H 1 8.955 0.05 . 1 . . . . 11 . . . 6198 1 127 . 1 1 11 11 ARG CA C 13 52.700 0.2 . 1 . . . . 11 . . . 6198 1 128 . 1 1 11 11 ARG HA H 1 4.541 0.05 . 1 . . . . 11 . . . 6198 1 129 . 1 1 11 11 ARG CB C 13 30.403 0.2 . 1 . . . . 11 . . . 6198 1 130 . 1 1 11 11 ARG HB2 H 1 1.981 0.05 . 2 . . . . 11 . . . 6198 1 131 . 1 1 11 11 ARG HB3 H 1 0.875 0.05 . 2 . . . . 11 . . . 6198 1 132 . 1 1 11 11 ARG CG C 13 26.550 0.2 . 1 . . . . 11 . . . 6198 1 133 . 1 1 11 11 ARG HG2 H 1 1.479 0.05 . 2 . . . . 11 . . . 6198 1 134 . 1 1 11 11 ARG HG3 H 1 1.275 0.05 . 2 . . . . 11 . . . 6198 1 135 . 1 1 11 11 ARG CD C 13 42.790 0.2 . 1 . . . . 11 . . . 6198 1 136 . 1 1 11 11 ARG HD2 H 1 3.092 0.05 . 2 . . . . 11 . . . 6198 1 137 . 1 1 11 11 ARG HD3 H 1 2.994 0.05 . 2 . . . . 11 . . . 6198 1 138 . 1 1 11 11 ARG C C 13 176.974 0.2 . 1 . . . . 11 . . . 6198 1 139 . 1 1 12 12 GLY N N 15 107.886 0.05 . 1 . . . . 12 . . . 6198 1 140 . 1 1 12 12 GLY H H 1 7.746 0.05 . 1 . . . . 12 . . . 6198 1 141 . 1 1 12 12 GLY CA C 13 46.369 0.2 . 1 . . . . 12 . . . 6198 1 142 . 1 1 12 12 GLY HA2 H 1 4.021 0.05 . 2 . . . . 12 . . . 6198 1 143 . 1 1 12 12 GLY HA3 H 1 3.569 0.05 . 2 . . . . 12 . . . 6198 1 144 . 1 1 13 13 LYS CA C 13 57.930 0.2 . 1 . . . . 13 . . . 6198 1 145 . 1 1 13 13 LYS HA H 1 3.857 0.05 . 1 . . . . 13 . . . 6198 1 146 . 1 1 13 13 LYS CB C 13 30.954 0.2 . 1 . . . . 13 . . . 6198 1 147 . 1 1 13 13 LYS HB2 H 1 1.722 0.05 . 1 . . . . 13 . . . 6198 1 148 . 1 1 13 13 LYS CG C 13 23.141 0.2 . 1 . . . . 13 . . . 6198 1 149 . 1 1 13 13 LYS HG2 H 1 1.316 0.05 . 1 . . . . 13 . . . 6198 1 150 . 1 1 13 13 LYS CD C 13 28.477 0.2 . 1 . . . . 13 . . . 6198 1 151 . 1 1 13 13 LYS HD2 H 1 1.591 0.05 . 2 . . . . 13 . . . 6198 1 152 . 1 1 13 13 LYS HD3 H 1 1.457 0.05 . 2 . . . . 13 . . . 6198 1 153 . 1 1 13 13 LYS CE C 13 41.414 0.2 . 1 . . . . 13 . . . 6198 1 154 . 1 1 13 13 LYS HE2 H 1 3.047 0.05 . 2 . . . . 13 . . . 6198 1 155 . 1 1 13 13 LYS HE3 H 1 2.916 0.05 . 2 . . . . 13 . . . 6198 1 156 . 1 1 13 13 LYS C C 13 172.861 0.2 . 1 . . . . 13 . . . 6198 1 157 . 1 1 14 14 ASP N N 15 117.117 0.05 . 1 . . . . 14 . . . 6198 1 158 . 1 1 14 14 ASP H H 1 7.495 0.05 . 1 . . . . 14 . . . 6198 1 159 . 1 1 14 14 ASP CA C 13 53.250 0.2 . 1 . . . . 14 . . . 6198 1 160 . 1 1 14 14 ASP HA H 1 4.877 0.05 . 1 . . . . 14 . . . 6198 1 161 . 1 1 14 14 ASP HB2 H 1 2.516 0.05 . 2 . . . . 14 . . . 6198 1 162 . 1 1 14 14 ASP HB3 H 1 2.970 0.05 . 2 . . . . 14 . . . 6198 1 163 . 1 1 14 14 ASP C C 13 174.330 0.2 . 1 . . . . 14 . . . 6198 1 164 . 1 1 15 15 SER N N 15 117.861 0.05 . 1 . . . . 15 . . . 6198 1 165 . 1 1 15 15 SER H H 1 7.348 0.05 . 1 . . . . 15 . . . 6198 1 166 . 1 1 15 15 SER CA C 13 58.205 0.2 . 1 . . . . 15 . . . 6198 1 167 . 1 1 15 15 SER HA H 1 4.118 0.05 . 1 . . . . 15 . . . 6198 1 168 . 1 1 15 15 SER CB C 13 62.334 0.2 . 1 . . . . 15 . . . 6198 1 169 . 1 1 15 15 SER HB3 H 1 1.492 0.05 . 2 . . . . 15 . . . 6198 1 170 . 1 1 15 15 SER HB2 H 1 3.691 0.05 . 2 . . . . 15 . . . 6198 1 171 . 1 1 16 16 PRO CD C 13 50.222 0.2 . 1 . . . . 16 . . . 6198 1 172 . 1 1 16 16 PRO CA C 13 61.233 0.2 . 1 . . . . 16 . . . 6198 1 173 . 1 1 16 16 PRO HA H 1 4.529 0.05 . 1 . . . . 16 . . . 6198 1 174 . 1 1 16 16 PRO CB C 13 30.849 0.2 . 1 . . . . 16 . . . 6198 1 175 . 1 1 16 16 PRO HB2 H 1 2.054 0.05 . 2 . . . . 16 . . . 6198 1 176 . 1 1 16 16 PRO HB3 H 1 1.928 0.05 . 2 . . . . 16 . . . 6198 1 177 . 1 1 16 16 PRO CG C 13 26.550 0.2 . 1 . . . . 16 . . . 6198 1 178 . 1 1 16 16 PRO HG2 H 1 2.291 0.05 . 2 . . . . 16 . . . 6198 1 179 . 1 1 16 16 PRO HG3 H 1 1.908 0.05 . 2 . . . . 16 . . . 6198 1 180 . 1 1 16 16 PRO HD2 H 1 3.786 0.05 . 2 . . . . 16 . . . 6198 1 181 . 1 1 16 16 PRO HD3 H 1 3.737 0.05 . 2 . . . . 16 . . . 6198 1 182 . 1 1 16 16 PRO C C 13 175.462 0.2 . 1 . . . . 16 . . . 6198 1 183 . 1 1 17 17 ILE N N 15 122.227 0.05 . 1 . . . . 17 . . . 6198 1 184 . 1 1 17 17 ILE H H 1 8.062 0.05 . 1 . . . . 17 . . . 6198 1 185 . 1 1 17 17 ILE CA C 13 61.508 0.2 . 1 . . . . 17 . . . 6198 1 186 . 1 1 17 17 ILE HA H 1 4.255 0.05 . 1 . . . . 17 . . . 6198 1 187 . 1 1 17 17 ILE CB C 13 38.937 0.2 . 1 . . . . 17 . . . 6198 1 188 . 1 1 17 17 ILE HB H 1 1.527 0.05 . 1 . . . . 17 . . . 6198 1 189 . 1 1 17 17 ILE HG21 H 1 0.872 0.05 . 1 . . . . 17 . . . 6198 1 190 . 1 1 17 17 ILE HG22 H 1 0.872 0.05 . 1 . . . . 17 . . . 6198 1 191 . 1 1 17 17 ILE HG23 H 1 0.872 0.05 . 1 . . . . 17 . . . 6198 1 192 . 1 1 17 17 ILE CG2 C 13 16.365 0.2 . 1 . . . . 17 . . . 6198 1 193 . 1 1 17 17 ILE CG1 C 13 27.651 0.2 . 1 . . . . 17 . . . 6198 1 194 . 1 1 17 17 ILE HG12 H 1 1.691 0.05 . 2 . . . . 17 . . . 6198 1 195 . 1 1 17 17 ILE HG13 H 1 1.090 0.05 . 2 . . . . 17 . . . 6198 1 196 . 1 1 17 17 ILE HD11 H 1 0.492 0.05 . 1 . . . . 17 . . . 6198 1 197 . 1 1 17 17 ILE HD12 H 1 0.492 0.05 . 1 . . . . 17 . . . 6198 1 198 . 1 1 17 17 ILE HD13 H 1 0.492 0.05 . 1 . . . . 17 . . . 6198 1 199 . 1 1 17 17 ILE CD1 C 13 14.438 0.2 . 1 . . . . 17 . . . 6198 1 200 . 1 1 17 17 ILE C C 13 175.340 0.2 . 1 . . . . 17 . . . 6198 1 201 . 1 1 18 18 SER N N 15 122.540 0.05 . 1 . . . . 18 . . . 6198 1 202 . 1 1 18 18 SER H H 1 8.223 0.05 . 1 . . . . 18 . . . 6198 1 203 . 1 1 18 18 SER CA C 13 56.829 0.2 . 1 . . . . 18 . . . 6198 1 204 . 1 1 18 18 SER HA H 1 4.258 0.05 . 1 . . . . 18 . . . 6198 1 205 . 1 1 18 18 SER CB C 13 63.435 0.2 . 1 . . . . 18 . . . 6198 1 206 . 1 1 18 18 SER HB2 H 1 3.513 0.05 . 2 . . . . 18 . . . 6198 1 207 . 1 1 18 18 SER HB3 H 1 3.306 0.05 . 2 . . . . 18 . . . 6198 1 208 . 1 1 18 18 SER C C 13 174.360 0.2 . 1 . . . . 18 . . . 6198 1 209 . 1 1 19 19 GLU N N 15 126.958 0.05 . 1 . . . . 19 . . . 6198 1 210 . 1 1 19 19 GLU H H 1 8.862 0.05 . 1 . . . . 19 . . . 6198 1 211 . 1 1 19 19 GLU CA C 13 59.031 0.2 . 1 . . . . 19 . . . 6198 1 212 . 1 1 19 19 GLU HA H 1 3.777 0.05 . 1 . . . . 19 . . . 6198 1 213 . 1 1 19 19 GLU CB C 13 29.027 0.2 . 1 . . . . 19 . . . 6198 1 214 . 1 1 19 19 GLU HB2 H 1 1.882 0.05 . 2 . . . . 19 . . . 6198 1 215 . 1 1 19 19 GLU HB3 H 1 1.745 0.05 . 2 . . . . 19 . . . 6198 1 216 . 1 1 19 19 GLU CG C 13 35.083 0.2 . 1 . . . . 19 . . . 6198 1 217 . 1 1 19 19 GLU HG2 H 1 1.984 0.05 . 1 . . . . 19 . . . 6198 1 218 . 1 1 19 19 GLU C C 13 175.476 0.2 . 1 . . . . 19 . . . 6198 1 219 . 1 1 20 20 HIS N N 15 114.621 0.05 . 1 . . . . 20 . . . 6198 1 220 . 1 1 20 20 HIS H H 1 7.793 0.05 . 1 . . . . 20 . . . 6198 1 221 . 1 1 20 20 HIS CA C 13 54.076 0.2 . 1 . . . . 20 . . . 6198 1 222 . 1 1 20 20 HIS HA H 1 4.799 0.05 . 1 . . . . 20 . . . 6198 1 223 . 1 1 20 20 HIS CB C 13 32.330 0.2 . 1 . . . . 20 . . . 6198 1 224 . 1 1 20 20 HIS HB2 H 1 3.172 0.05 . 2 . . . . 20 . . . 6198 1 225 . 1 1 20 20 HIS HB3 H 1 2.677 0.05 . 2 . . . . 20 . . . 6198 1 226 . 1 1 21 21 PHE CA C 13 60.682 0.2 . 1 . . . . 21 . . . 6198 1 227 . 1 1 21 21 PHE HA H 1 4.351 0.05 . 1 . . . . 21 . . . 6198 1 228 . 1 1 21 21 PHE CB C 13 39.212 0.2 . 1 . . . . 21 . . . 6198 1 229 . 1 1 21 21 PHE HB2 H 1 3.523 0.05 . 2 . . . . 21 . . . 6198 1 230 . 1 1 21 21 PHE HB3 H 1 3.355 0.05 . 2 . . . . 21 . . . 6198 1 231 . 1 1 21 21 PHE HD1 H 1 7.407 0.05 . 1 . . . . 21 . . . 6198 1 232 . 1 1 21 21 PHE HE1 H 1 7.257 0.05 . 1 . . . . 21 . . . 6198 1 233 . 1 1 21 21 PHE CD1 C 13 132.520 0.2 . 1 . . . . 21 . . . 6198 1 234 . 1 1 21 21 PHE CE1 C 13 130.214 0.2 . 1 . . . . 21 . . . 6198 1 235 . 1 1 21 21 PHE CZ C 13 132.072 0.2 . 1 . . . . 21 . . . 6198 1 236 . 1 1 21 21 PHE HZ H 1 7.095 0.05 . 1 . . . . 21 . . . 6198 1 237 . 1 1 21 21 PHE C C 13 174.141 0.2 . 1 . . . . 21 . . . 6198 1 238 . 1 1 22 22 GLY N N 15 107.005 0.05 . 1 . . . . 22 . . . 6198 1 239 . 1 1 22 22 GLY H H 1 9.084 0.05 . 1 . . . . 22 . . . 6198 1 240 . 1 1 22 22 GLY CA C 13 46.369 0.2 . 1 . . . . 22 . . . 6198 1 241 . 1 1 22 22 GLY HA2 H 1 3.717 0.05 . 2 . . . . 22 . . . 6198 1 242 . 1 1 22 22 GLY HA3 H 1 3.353 0.05 . 2 . . . . 22 . . . 6198 1 243 . 1 1 22 22 GLY C C 13 173.394 0.2 . 1 . . . . 22 . . . 6198 1 244 . 1 1 23 23 ARG N N 15 113.893 0.05 . 1 . . . . 23 . . . 6198 1 245 . 1 1 23 23 ARG H H 1 7.383 0.05 . 1 . . . . 23 . . . 6198 1 246 . 1 1 23 23 ARG CA C 13 53.145 0.2 . 1 . . . . 23 . . . 6198 1 247 . 1 1 23 23 ARG HA H 1 4.225 0.05 . 1 . . . . 23 . . . 6198 1 248 . 1 1 23 23 ARG CB C 13 29.197 0.2 . 1 . . . . 23 . . . 6198 1 249 . 1 1 23 23 ARG HB2 H 1 1.655 0.05 . 2 . . . . 23 . . . 6198 1 250 . 1 1 23 23 ARG HB3 H 1 1.415 0.05 . 2 . . . . 23 . . . 6198 1 251 . 1 1 23 23 ARG HG2 H 1 1.380 0.05 . 2 . . . . 23 . . . 6198 1 252 . 1 1 23 23 ARG HG3 H 1 1.344 0.05 . 2 . . . . 23 . . . 6198 1 253 . 1 1 23 23 ARG CD C 13 42.685 0.2 . 1 . . . . 23 . . . 6198 1 254 . 1 1 23 23 ARG HD2 H 1 2.883 0.05 . 1 . . . . 23 . . . 6198 1 255 . 1 1 23 23 ARG C C 13 174.780 0.2 . 1 . . . . 23 . . . 6198 1 256 . 1 1 24 24 ALA N N 15 125.699 0.05 . 1 . . . . 24 . . . 6198 1 257 . 1 1 24 24 ALA H H 1 7.023 0.05 . 1 . . . . 24 . . . 6198 1 258 . 1 1 24 24 ALA CA C 13 49.947 0.2 . 1 . . . . 24 . . . 6198 1 259 . 1 1 24 24 ALA HA H 1 4.112 0.05 . 1 . . . . 24 . . . 6198 1 260 . 1 1 24 24 ALA HB1 H 1 1.095 0.05 . 1 . . . . 24 . . . 6198 1 261 . 1 1 24 24 ALA HB2 H 1 1.095 0.05 . 1 . . . . 24 . . . 6198 1 262 . 1 1 24 24 ALA HB3 H 1 1.095 0.05 . 1 . . . . 24 . . . 6198 1 263 . 1 1 24 24 ALA CB C 13 18.292 0.2 . 1 . . . . 24 . . . 6198 1 264 . 1 1 25 25 PRO CD C 13 49.947 0.2 . 1 . . . . 25 . . . 6198 1 265 . 1 1 25 25 PRO CA C 13 63.160 0.2 . 1 . . . . 25 . . . 6198 1 266 . 1 1 25 25 PRO HA H 1 4.055 0.05 . 1 . . . . 25 . . . 6198 1 267 . 1 1 25 25 PRO CB C 13 30.573 0.2 . 1 . . . . 25 . . . 6198 1 268 . 1 1 25 25 PRO HB2 H 1 2.053 0.05 . 2 . . . . 25 . . . 6198 1 269 . 1 1 25 25 PRO HB3 H 1 1.492 0.05 . 2 . . . . 25 . . . 6198 1 270 . 1 1 25 25 PRO CG C 13 26.825 0.2 . 1 . . . . 25 . . . 6198 1 271 . 1 1 25 25 PRO HG2 H 1 2.188 0.05 . 2 . . . . 25 . . . 6198 1 272 . 1 1 25 25 PRO HG3 H 1 2.105 0.05 . 2 . . . . 25 . . . 6198 1 273 . 1 1 25 25 PRO HD2 H 1 3.929 0.05 . 2 . . . . 25 . . . 6198 1 274 . 1 1 25 25 PRO HD3 H 1 3.747 0.05 . 2 . . . . 25 . . . 6198 1 275 . 1 1 25 25 PRO C C 13 176.019 0.2 . 1 . . . . 25 . . . 6198 1 276 . 1 1 26 26 TYR N N 15 113.973 0.05 . 1 . . . . 26 . . . 6198 1 277 . 1 1 26 26 TYR H H 1 7.368 0.05 . 1 . . . . 26 . . . 6198 1 278 . 1 1 26 26 TYR CA C 13 54.902 0.2 . 1 . . . . 26 . . . 6198 1 279 . 1 1 26 26 TYR HA H 1 5.082 0.05 . 1 . . . . 26 . . . 6198 1 280 . 1 1 26 26 TYR CB C 13 42.515 0.2 . 1 . . . . 26 . . . 6198 1 281 . 1 1 26 26 TYR HB2 H 1 2.572 0.05 . 2 . . . . 26 . . . 6198 1 282 . 1 1 26 26 TYR HB3 H 1 2.329 0.05 . 2 . . . . 26 . . . 6198 1 283 . 1 1 26 26 TYR HD2 H 1 6.594 0.05 . 2 . . . . 26 . . . 6198 1 284 . 1 1 26 26 TYR HE2 H 1 6.812 0.05 . 2 . . . . 26 . . . 6198 1 285 . 1 1 26 26 TYR CD1 C 13 132.612 0.2 . 1 . . . . 26 . . . 6198 1 286 . 1 1 26 26 TYR HD1 H 1 6.577 0.05 . 1 . . . . 26 . . . 6198 1 287 . 1 1 26 26 TYR CE1 C 13 118.093 0.2 . 1 . . . . 26 . . . 6198 1 288 . 1 1 26 26 TYR C C 13 173.056 0.2 . 1 . . . . 26 . . . 6198 1 289 . 1 1 27 27 PHE N N 15 116.919 0.05 . 1 . . . . 27 . . . 6198 1 290 . 1 1 27 27 PHE H H 1 9.287 0.05 . 1 . . . . 27 . . . 6198 1 291 . 1 1 27 27 PHE CA C 13 56.829 0.2 . 1 . . . . 27 . . . 6198 1 292 . 1 1 27 27 PHE HA H 1 4.865 0.05 . 1 . . . . 27 . . . 6198 1 293 . 1 1 27 27 PHE CB C 13 43.891 0.2 . 1 . . . . 27 . . . 6198 1 294 . 1 1 27 27 PHE HB2 H 1 2.554 0.05 . 2 . . . . 27 . . . 6198 1 295 . 1 1 27 27 PHE HB3 H 1 2.030 0.05 . 2 . . . . 27 . . . 6198 1 296 . 1 1 27 27 PHE HD1 H 1 6.780 0.05 . 1 . . . . 27 . . . 6198 1 297 . 1 1 27 27 PHE HE1 H 1 6.969 0.05 . 1 . . . . 27 . . . 6198 1 298 . 1 1 27 27 PHE CD1 C 13 130.131 0.2 . 1 . . . . 27 . . . 6198 1 299 . 1 1 27 27 PHE CE1 C 13 130.720 0.2 . 1 . . . . 27 . . . 6198 1 300 . 1 1 27 27 PHE CZ C 13 132.610 0.2 . 1 . . . . 27 . . . 6198 1 301 . 1 1 27 27 PHE HZ H 1 6.516 0.05 . 1 . . . . 27 . . . 6198 1 302 . 1 1 27 27 PHE C C 13 173.187 0.2 . 1 . . . . 27 . . . 6198 1 303 . 1 1 28 28 ALA N N 15 123.453 0.05 . 1 . . . . 28 . . . 6198 1 304 . 1 1 28 28 ALA H H 1 9.370 0.05 . 1 . . . . 28 . . . 6198 1 305 . 1 1 28 28 ALA CA C 13 49.397 0.2 . 1 . . . . 28 . . . 6198 1 306 . 1 1 28 28 ALA HA H 1 5.064 0.05 . 1 . . . . 28 . . . 6198 1 307 . 1 1 28 28 ALA HB1 H 1 1.114 0.05 . 1 . . . . 28 . . . 6198 1 308 . 1 1 28 28 ALA HB2 H 1 1.114 0.05 . 1 . . . . 28 . . . 6198 1 309 . 1 1 28 28 ALA HB3 H 1 1.114 0.05 . 1 . . . . 28 . . . 6198 1 310 . 1 1 28 28 ALA CB C 13 20.219 0.2 . 1 . . . . 28 . . . 6198 1 311 . 1 1 28 28 ALA C C 13 174.629 0.2 . 1 . . . . 28 . . . 6198 1 312 . 1 1 29 29 PHE N N 15 121.408 0.05 . 1 . . . . 29 . . . 6198 1 313 . 1 1 29 29 PHE H H 1 9.316 0.05 . 1 . . . . 29 . . . 6198 1 314 . 1 1 29 29 PHE CA C 13 56.829 0.2 . 1 . . . . 29 . . . 6198 1 315 . 1 1 29 29 PHE HA H 1 5.160 0.05 . 1 . . . . 29 . . . 6198 1 316 . 1 1 29 29 PHE CB C 13 38.937 0.2 . 1 . . . . 29 . . . 6198 1 317 . 1 1 29 29 PHE HB2 H 1 2.997 0.05 . 2 . . . . 29 . . . 6198 1 318 . 1 1 29 29 PHE HB3 H 1 2.704 0.05 . 2 . . . . 29 . . . 6198 1 319 . 1 1 29 29 PHE HD1 H 1 7.013 0.05 . 1 . . . . 29 . . . 6198 1 320 . 1 1 29 29 PHE HE1 H 1 6.855 0.05 . 1 . . . . 29 . . . 6198 1 321 . 1 1 29 29 PHE CD1 C 13 131.709 0.2 . 1 . . . . 29 . . . 6198 1 322 . 1 1 29 29 PHE CE1 C 13 130.443 0.2 . 1 . . . . 29 . . . 6198 1 323 . 1 1 29 29 PHE HE2 H 1 6.830 0.05 . 1 . . . . 29 . . . 6198 1 324 . 1 1 29 29 PHE CZ C 13 131.341 0.2 . 1 . . . . 29 . . . 6198 1 325 . 1 1 29 29 PHE HZ H 1 6.910 0.05 . 1 . . . . 29 . . . 6198 1 326 . 1 1 29 29 PHE C C 13 174.998 0.2 . 1 . . . . 29 . . . 6198 1 327 . 1 1 30 30 VAL N N 15 127.619 0.05 . 1 . . . . 30 . . . 6198 1 328 . 1 1 30 30 VAL H H 1 9.858 0.05 . 1 . . . . 30 . . . 6198 1 329 . 1 1 30 30 VAL CA C 13 60.132 0.2 . 1 . . . . 30 . . . 6198 1 330 . 1 1 30 30 VAL HA H 1 4.610 0.05 . 1 . . . . 30 . . . 6198 1 331 . 1 1 30 30 VAL CB C 13 33.156 0.2 . 1 . . . . 30 . . . 6198 1 332 . 1 1 30 30 VAL HB H 1 2.019 0.05 . 1 . . . . 30 . . . 6198 1 333 . 1 1 30 30 VAL HG11 H 1 0.729 0.05 . 2 . . . . 30 . . . 6198 1 334 . 1 1 30 30 VAL HG12 H 1 0.729 0.05 . 2 . . . . 30 . . . 6198 1 335 . 1 1 30 30 VAL HG13 H 1 0.729 0.05 . 2 . . . . 30 . . . 6198 1 336 . 1 1 30 30 VAL HG21 H 1 0.885 0.05 . 2 . . . . 30 . . . 6198 1 337 . 1 1 30 30 VAL HG22 H 1 0.885 0.05 . 2 . . . . 30 . . . 6198 1 338 . 1 1 30 30 VAL HG23 H 1 0.885 0.05 . 2 . . . . 30 . . . 6198 1 339 . 1 1 30 30 VAL CG1 C 13 20.494 0.2 . 1 . . . . 30 . . . 6198 1 340 . 1 1 30 30 VAL CG2 C 13 21.320 0.2 . 1 . . . . 30 . . . 6198 1 341 . 1 1 30 30 VAL C C 13 173.956 0.2 . 1 . . . . 30 . . . 6198 1 342 . 1 1 31 31 LYS N N 15 128.207 0.05 . 1 . . . . 31 . . . 6198 1 343 . 1 1 31 31 LYS H H 1 8.861 0.05 . 1 . . . . 31 . . . 6198 1 344 . 1 1 31 31 LYS CA C 13 54.902 0.2 . 1 . . . . 31 . . . 6198 1 345 . 1 1 31 31 LYS HA H 1 4.980 0.05 . 1 . . . . 31 . . . 6198 1 346 . 1 1 31 31 LYS CB C 13 32.881 0.2 . 1 . . . . 31 . . . 6198 1 347 . 1 1 31 31 LYS HB2 H 1 1.754 0.05 . 1 . . . . 31 . . . 6198 1 348 . 1 1 31 31 LYS CG C 13 24.623 0.2 . 1 . . . . 31 . . . 6198 1 349 . 1 1 31 31 LYS HG2 H 1 1.420 0.05 . 2 . . . . 31 . . . 6198 1 350 . 1 1 31 31 LYS HG3 H 1 1.216 0.05 . 2 . . . . 31 . . . 6198 1 351 . 1 1 31 31 LYS CD C 13 28.477 0.2 . 1 . . . . 31 . . . 6198 1 352 . 1 1 31 31 LYS HD2 H 1 1.627 0.05 . 1 . . . . 31 . . . 6198 1 353 . 1 1 31 31 LYS CE C 13 41.139 0.2 . 1 . . . . 31 . . . 6198 1 354 . 1 1 31 31 LYS HE2 H 1 2.859 0.05 . 1 . . . . 31 . . . 6198 1 355 . 1 1 31 31 LYS C C 13 174.740 0.2 . 1 . . . . 31 . . . 6198 1 356 . 1 1 32 32 VAL N N 15 126.321 0.05 . 1 . . . . 32 . . . 6198 1 357 . 1 1 32 32 VAL H H 1 8.947 0.05 . 1 . . . . 32 . . . 6198 1 358 . 1 1 32 32 VAL CA C 13 60.132 0.2 . 1 . . . . 32 . . . 6198 1 359 . 1 1 32 32 VAL HA H 1 4.781 0.05 . 1 . . . . 32 . . . 6198 1 360 . 1 1 32 32 VAL CB C 13 33.156 0.2 . 1 . . . . 32 . . . 6198 1 361 . 1 1 32 32 VAL HB H 1 1.908 0.05 . 1 . . . . 32 . . . 6198 1 362 . 1 1 32 32 VAL CG1 C 13 20.769 0.2 . 1 . . . . 32 . . . 6198 1 363 . 1 1 32 32 VAL HG11 H 1 0.812 0.05 . 1 . . . . 32 . . . 6198 1 364 . 1 1 32 32 VAL HG12 H 1 0.812 0.05 . 1 . . . . 32 . . . 6198 1 365 . 1 1 32 32 VAL HG13 H 1 0.812 0.05 . 1 . . . . 32 . . . 6198 1 366 . 1 1 32 32 VAL C C 13 174.821 0.2 . 1 . . . . 32 . . . 6198 1 367 . 1 1 33 33 LYS N N 15 126.319 0.05 . 1 . . . . 33 . . . 6198 1 368 . 1 1 33 33 LYS H H 1 8.679 0.05 . 1 . . . . 33 . . . 6198 1 369 . 1 1 33 33 LYS CA C 13 54.627 0.2 . 1 . . . . 33 . . . 6198 1 370 . 1 1 33 33 LYS HA H 1 4.545 0.05 . 1 . . . . 33 . . . 6198 1 371 . 1 1 33 33 LYS CB C 13 34.978 0.2 . 1 . . . . 33 . . . 6198 1 372 . 1 1 33 33 LYS HB2 H 1 1.678 0.05 . 2 . . . . 33 . . . 6198 1 373 . 1 1 33 33 LYS HB3 H 1 1.541 0.05 . 2 . . . . 33 . . . 6198 1 374 . 1 1 33 33 LYS CG C 13 23.967 0.2 . 1 . . . . 33 . . . 6198 1 375 . 1 1 33 33 LYS HG2 H 1 1.293 0.05 . 1 . . . . 33 . . . 6198 1 376 . 1 1 33 33 LYS CD C 13 28.096 0.2 . 1 . . . . 33 . . . 6198 1 377 . 1 1 33 33 LYS HD2 H 1 1.637 0.05 . 2 . . . . 33 . . . 6198 1 378 . 1 1 33 33 LYS HD3 H 1 1.582 0.05 . 2 . . . . 33 . . . 6198 1 379 . 1 1 33 33 LYS CE C 13 41.033 0.2 . 1 . . . . 33 . . . 6198 1 380 . 1 1 33 33 LYS HE2 H 1 2.898 0.05 . 1 . . . . 33 . . . 6198 1 381 . 1 1 34 34 ASN CA C 13 53.801 0.2 . 1 . . . . 34 . . . 6198 1 382 . 1 1 34 34 ASN HA H 1 4.253 0.05 . 1 . . . . 34 . . . 6198 1 383 . 1 1 34 34 ASN CB C 13 36.184 0.2 . 1 . . . . 34 . . . 6198 1 384 . 1 1 34 34 ASN HB2 H 1 2.951 0.05 . 2 . . . . 34 . . . 6198 1 385 . 1 1 34 34 ASN HB3 H 1 2.731 0.05 . 2 . . . . 34 . . . 6198 1 386 . 1 1 34 34 ASN C C 13 173.609 0.2 . 1 . . . . 34 . . . 6198 1 387 . 1 1 35 35 ASN N N 15 111.480 0.05 . 1 . . . . 35 . . . 6198 1 388 . 1 1 35 35 ASN H H 1 8.719 0.05 . 1 . . . . 35 . . . 6198 1 389 . 1 1 35 35 ASN CA C 13 53.801 0.2 . 1 . . . . 35 . . . 6198 1 390 . 1 1 35 35 ASN HA H 1 3.967 0.05 . 1 . . . . 35 . . . 6198 1 391 . 1 1 35 35 ASN CB C 13 37.285 0.2 . 1 . . . . 35 . . . 6198 1 392 . 1 1 35 35 ASN HB2 H 1 3.047 0.05 . 2 . . . . 35 . . . 6198 1 393 . 1 1 35 35 ASN HB3 H 1 2.671 0.05 . 2 . . . . 35 . . . 6198 1 394 . 1 1 35 35 ASN C C 13 171.740 0.2 . 1 . . . . 35 . . . 6198 1 395 . 1 1 36 36 ALA N N 15 119.073 0.05 . 1 . . . . 36 . . . 6198 1 396 . 1 1 36 36 ALA H H 1 7.500 0.05 . 1 . . . . 36 . . . 6198 1 397 . 1 1 36 36 ALA CA C 13 49.947 0.2 . 1 . . . . 36 . . . 6198 1 398 . 1 1 36 36 ALA HA H 1 4.595 0.05 . 1 . . . . 36 . . . 6198 1 399 . 1 1 36 36 ALA HB1 H 1 1.296 0.05 . 1 . . . . 36 . . . 6198 1 400 . 1 1 36 36 ALA HB2 H 1 1.296 0.05 . 1 . . . . 36 . . . 6198 1 401 . 1 1 36 36 ALA HB3 H 1 1.296 0.05 . 1 . . . . 36 . . . 6198 1 402 . 1 1 36 36 ALA CB C 13 21.320 0.2 . 1 . . . . 36 . . . 6198 1 403 . 1 1 36 36 ALA C C 13 175.356 0.2 . 1 . . . . 36 . . . 6198 1 404 . 1 1 37 37 ILE N N 15 120.185 0.05 . 1 . . . . 37 . . . 6198 1 405 . 1 1 37 37 ILE H H 1 8.595 0.05 . 1 . . . . 37 . . . 6198 1 406 . 1 1 37 37 ILE CA C 13 63.435 0.2 . 1 . . . . 37 . . . 6198 1 407 . 1 1 37 37 ILE HA H 1 3.687 0.05 . 1 . . . . 37 . . . 6198 1 408 . 1 1 37 37 ILE CB C 13 37.285 0.2 . 1 . . . . 37 . . . 6198 1 409 . 1 1 37 37 ILE HB H 1 1.732 0.05 . 1 . . . . 37 . . . 6198 1 410 . 1 1 37 37 ILE HG21 H 1 0.719 0.05 . 1 . . . . 37 . . . 6198 1 411 . 1 1 37 37 ILE HG22 H 1 0.719 0.05 . 1 . . . . 37 . . . 6198 1 412 . 1 1 37 37 ILE HG23 H 1 0.719 0.05 . 1 . . . . 37 . . . 6198 1 413 . 1 1 37 37 ILE CG2 C 13 16.640 0.2 . 1 . . . . 37 . . . 6198 1 414 . 1 1 37 37 ILE CG1 C 13 28.201 0.2 . 1 . . . . 37 . . . 6198 1 415 . 1 1 37 37 ILE HG12 H 1 0.617 0.05 . 1 . . . . 37 . . . 6198 1 416 . 1 1 37 37 ILE HD11 H 1 0.836 0.05 . 1 . . . . 37 . . . 6198 1 417 . 1 1 37 37 ILE HD12 H 1 0.836 0.05 . 1 . . . . 37 . . . 6198 1 418 . 1 1 37 37 ILE HD13 H 1 0.836 0.05 . 1 . . . . 37 . . . 6198 1 419 . 1 1 37 37 ILE CD1 C 13 12.511 0.2 . 1 . . . . 37 . . . 6198 1 420 . 1 1 37 37 ILE C C 13 175.082 0.2 . 1 . . . . 37 . . . 6198 1 421 . 1 1 38 38 ALA N N 15 132.674 0.05 . 1 . . . . 38 . . . 6198 1 422 . 1 1 38 38 ALA H H 1 9.358 0.05 . 1 . . . . 38 . . . 6198 1 423 . 1 1 38 38 ALA CA C 13 51.874 0.2 . 1 . . . . 38 . . . 6198 1 424 . 1 1 38 38 ALA HA H 1 4.549 0.05 . 1 . . . . 38 . . . 6198 1 425 . 1 1 38 38 ALA HB1 H 1 1.283 0.05 . 1 . . . . 38 . . . 6198 1 426 . 1 1 38 38 ALA HB2 H 1 1.283 0.05 . 1 . . . . 38 . . . 6198 1 427 . 1 1 38 38 ALA HB3 H 1 1.283 0.05 . 1 . . . . 38 . . . 6198 1 428 . 1 1 38 38 ALA CB C 13 19.668 0.2 . 1 . . . . 38 . . . 6198 1 429 . 1 1 38 38 ALA C C 13 176.224 0.2 . 1 . . . . 38 . . . 6198 1 430 . 1 1 39 39 ASP N N 15 115.167 0.05 . 1 . . . . 39 . . . 6198 1 431 . 1 1 39 39 ASP H H 1 7.631 0.05 . 1 . . . . 39 . . . 6198 1 432 . 1 1 39 39 ASP CA C 13 53.525 0.2 . 1 . . . . 39 . . . 6198 1 433 . 1 1 39 39 ASP HA H 1 4.762 0.05 . 1 . . . . 39 . . . 6198 1 434 . 1 1 39 39 ASP CB C 13 43.616 0.2 . 1 . . . . 39 . . . 6198 1 435 . 1 1 39 39 ASP HB2 H 1 2.704 0.05 . 2 . . . . 39 . . . 6198 1 436 . 1 1 39 39 ASP HB3 H 1 2.457 0.05 . 2 . . . . 39 . . . 6198 1 437 . 1 1 39 39 ASP C C 13 173.380 0.2 . 1 . . . . 39 . . . 6198 1 438 . 1 1 40 40 ILE N N 15 121.319 0.05 . 1 . . . . 40 . . . 6198 1 439 . 1 1 40 40 ILE H H 1 8.271 0.05 . 1 . . . . 40 . . . 6198 1 440 . 1 1 40 40 ILE CA C 13 60.682 0.2 . 1 . . . . 40 . . . 6198 1 441 . 1 1 40 40 ILE HA H 1 4.679 0.05 . 1 . . . . 40 . . . 6198 1 442 . 1 1 40 40 ILE CB C 13 40.588 0.2 . 1 . . . . 40 . . . 6198 1 443 . 1 1 40 40 ILE HB H 1 1.640 0.05 . 1 . . . . 40 . . . 6198 1 444 . 1 1 40 40 ILE HG21 H 1 0.612 0.05 . 1 . . . . 40 . . . 6198 1 445 . 1 1 40 40 ILE HG22 H 1 0.612 0.05 . 1 . . . . 40 . . . 6198 1 446 . 1 1 40 40 ILE HG23 H 1 0.612 0.05 . 1 . . . . 40 . . . 6198 1 447 . 1 1 40 40 ILE CG2 C 13 15.815 0.2 . 1 . . . . 40 . . . 6198 1 448 . 1 1 40 40 ILE CG1 C 13 27.376 0.2 . 1 . . . . 40 . . . 6198 1 449 . 1 1 40 40 ILE HG12 H 1 1.550 0.05 . 1 . . . . 40 . . . 6198 1 450 . 1 1 40 40 ILE HG13 H 1 0.885 0.05 . 1 . . . . 40 . . . 6198 1 451 . 1 1 40 40 ILE HD11 H 1 0.747 0.05 . 1 . . . . 40 . . . 6198 1 452 . 1 1 40 40 ILE HD12 H 1 0.747 0.05 . 1 . . . . 40 . . . 6198 1 453 . 1 1 40 40 ILE HD13 H 1 0.747 0.05 . 1 . . . . 40 . . . 6198 1 454 . 1 1 40 40 ILE CD1 C 13 13.337 0.2 . 1 . . . . 40 . . . 6198 1 455 . 1 1 40 40 ILE C C 13 173.583 0.2 . 1 . . . . 40 . . . 6198 1 456 . 1 1 41 41 SER N N 15 123.069 0.05 . 1 . . . . 41 . . . 6198 1 457 . 1 1 41 41 SER H H 1 8.658 0.05 . 1 . . . . 41 . . . 6198 1 458 . 1 1 41 41 SER CA C 13 56.003 0.2 . 1 . . . . 41 . . . 6198 1 459 . 1 1 41 41 SER HA H 1 4.882 0.05 . 1 . . . . 41 . . . 6198 1 460 . 1 1 41 41 SER CB C 13 64.536 0.2 . 1 . . . . 41 . . . 6198 1 461 . 1 1 41 41 SER HB2 H 1 4.002 0.05 . 2 . . . . 41 . . . 6198 1 462 . 1 1 41 41 SER HB3 H 1 3.856 0.05 . 2 . . . . 41 . . . 6198 1 463 . 1 1 41 41 SER C C 13 172.727 0.2 . 1 . . . . 41 . . . 6198 1 464 . 1 1 42 42 VAL N N 15 126.961 0.05 . 1 . . . . 42 . . . 6198 1 465 . 1 1 42 42 VAL H H 1 8.772 0.05 . 1 . . . . 42 . . . 6198 1 466 . 1 1 42 42 VAL CA C 13 61.233 0.2 . 1 . . . . 42 . . . 6198 1 467 . 1 1 42 42 VAL HA H 1 4.996 0.05 . 1 . . . . 42 . . . 6198 1 468 . 1 1 42 42 VAL CB C 13 31.504 0.2 . 1 . . . . 42 . . . 6198 1 469 . 1 1 42 42 VAL HB H 1 1.829 0.05 . 1 . . . . 42 . . . 6198 1 470 . 1 1 42 42 VAL HG11 H 1 0.492 0.05 . 2 . . . . 42 . . . 6198 1 471 . 1 1 42 42 VAL HG12 H 1 0.492 0.05 . 2 . . . . 42 . . . 6198 1 472 . 1 1 42 42 VAL HG13 H 1 0.492 0.05 . 2 . . . . 42 . . . 6198 1 473 . 1 1 42 42 VAL HG21 H 1 0.722 0.05 . 2 . . . . 42 . . . 6198 1 474 . 1 1 42 42 VAL HG22 H 1 0.722 0.05 . 2 . . . . 42 . . . 6198 1 475 . 1 1 42 42 VAL HG23 H 1 0.722 0.05 . 2 . . . . 42 . . . 6198 1 476 . 1 1 42 42 VAL CG1 C 13 21.320 0.2 . 1 . . . . 42 . . . 6198 1 477 . 1 1 42 42 VAL CG2 C 13 20.219 0.2 . 1 . . . . 42 . . . 6198 1 478 . 1 1 42 42 VAL C C 13 174.684 0.2 . 1 . . . . 42 . . . 6198 1 479 . 1 1 43 43 GLU N N 15 126.219 0.05 . 1 . . . . 43 . . . 6198 1 480 . 1 1 43 43 GLU H H 1 9.284 0.05 . 1 . . . . 43 . . . 6198 1 481 . 1 1 43 43 GLU CA C 13 53.801 0.2 . 1 . . . . 43 . . . 6198 1 482 . 1 1 43 43 GLU HA H 1 4.998 0.05 . 1 . . . . 43 . . . 6198 1 483 . 1 1 43 43 GLU CB C 13 33.431 0.2 . 1 . . . . 43 . . . 6198 1 484 . 1 1 43 43 GLU HB2 H 1 2.484 0.05 . 2 . . . . 43 . . . 6198 1 485 . 1 1 43 43 GLU HB3 H 1 2.136 0.05 . 2 . . . . 43 . . . 6198 1 486 . 1 1 43 43 GLU CG C 13 35.253 0.2 . 1 . . . . 43 . . . 6198 1 487 . 1 1 43 43 GLU HG2 H 1 2.412 0.05 . 1 . . . . 43 . . . 6198 1 488 . 1 1 43 43 GLU C C 13 174.982 0.2 . 1 . . . . 43 . . . 6198 1 489 . 1 1 44 44 GLU N N 15 122.578 0.05 . 1 . . . . 44 . . . 6198 1 490 . 1 1 44 44 GLU H H 1 9.092 0.05 . 1 . . . . 44 . . . 6198 1 491 . 1 1 44 44 GLU CA C 13 56.553 0.2 . 1 . . . . 44 . . . 6198 1 492 . 1 1 44 44 GLU HA H 1 4.115 0.05 . 1 . . . . 44 . . . 6198 1 493 . 1 1 44 44 GLU CB C 13 29.578 0.2 . 1 . . . . 44 . . . 6198 1 494 . 1 1 44 44 GLU HB2 H 1 1.915 0.05 . 2 . . . . 44 . . . 6198 1 495 . 1 1 44 44 GLU HB3 H 1 1.826 0.05 . 2 . . . . 44 . . . 6198 1 496 . 1 1 44 44 GLU CG C 13 36.079 0.2 . 1 . . . . 44 . . . 6198 1 497 . 1 1 44 44 GLU HG2 H 1 2.237 0.05 . 2 . . . . 44 . . . 6198 1 498 . 1 1 44 44 GLU HG3 H 1 2.125 0.05 . 2 . . . . 44 . . . 6198 1 499 . 1 1 44 44 GLU C C 13 174.786 0.2 . 1 . . . . 44 . . . 6198 1 500 . 1 1 45 45 ASN N N 15 120.585 0.05 . 1 . . . . 45 . . . 6198 1 501 . 1 1 45 45 ASN H H 1 7.775 0.05 . 1 . . . . 45 . . . 6198 1 502 . 1 1 45 45 ASN CA C 13 48.571 0.2 . 1 . . . . 45 . . . 6198 1 503 . 1 1 45 45 ASN HA H 1 4.542 0.05 . 1 . . . . 45 . . . 6198 1 504 . 1 1 45 45 ASN CB C 13 38.111 0.2 . 1 . . . . 45 . . . 6198 1 505 . 1 1 45 45 ASN HB2 H 1 3.013 0.05 . 2 . . . . 45 . . . 6198 1 506 . 1 1 45 45 ASN HB3 H 1 2.248 0.05 . 2 . . . . 45 . . . 6198 1 507 . 1 1 46 46 PRO CD C 13 49.397 0.2 . 1 . . . . 46 . . . 6198 1 508 . 1 1 46 46 PRO CA C 13 62.884 0.2 . 1 . . . . 46 . . . 6198 1 509 . 1 1 46 46 PRO HA H 1 4.328 0.05 . 1 . . . . 46 . . . 6198 1 510 . 1 1 46 46 PRO CB C 13 30.954 0.2 . 1 . . . . 46 . . . 6198 1 511 . 1 1 46 46 PRO HB2 H 1 2.118 0.05 . 2 . . . . 46 . . . 6198 1 512 . 1 1 46 46 PRO HB3 H 1 1.804 0.05 . 2 . . . . 46 . . . 6198 1 513 . 1 1 46 46 PRO CG C 13 25.449 0.2 . 1 . . . . 46 . . . 6198 1 514 . 1 1 46 46 PRO HG2 H 1 1.688 0.05 . 2 . . . . 46 . . . 6198 1 515 . 1 1 46 46 PRO HG3 H 1 1.418 0.05 . 2 . . . . 46 . . . 6198 1 516 . 1 1 46 46 PRO HD2 H 1 3.691 0.05 . 2 . . . . 46 . . . 6198 1 517 . 1 1 46 46 PRO HD3 H 1 2.803 0.05 . 2 . . . . 46 . . . 6198 1 518 . 1 1 46 46 PRO C C 13 176.136 0.2 . 1 . . . . 46 . . . 6198 1 519 . 1 1 47 47 LEU N N 15 119.747 0.05 . 1 . . . . 47 . . . 6198 1 520 . 1 1 47 47 LEU H H 1 7.411 0.05 . 1 . . . . 47 . . . 6198 1 521 . 1 1 47 47 LEU CA C 13 53.525 0.2 . 1 . . . . 47 . . . 6198 1 522 . 1 1 47 47 LEU HA H 1 4.309 0.05 . 1 . . . . 47 . . . 6198 1 523 . 1 1 47 47 LEU CB C 13 41.139 0.2 . 1 . . . . 47 . . . 6198 1 524 . 1 1 47 47 LEU HB2 H 1 1.640 0.05 . 2 . . . . 47 . . . 6198 1 525 . 1 1 47 47 LEU HB3 H 1 1.493 0.05 . 2 . . . . 47 . . . 6198 1 526 . 1 1 47 47 LEU CG C 13 26.550 0.2 . 1 . . . . 47 . . . 6198 1 527 . 1 1 47 47 LEU HG H 1 1.265 0.05 . 1 . . . . 47 . . . 6198 1 528 . 1 1 47 47 LEU HD11 H 1 0.729 0.05 . 2 . . . . 47 . . . 6198 1 529 . 1 1 47 47 LEU HD12 H 1 0.729 0.05 . 2 . . . . 47 . . . 6198 1 530 . 1 1 47 47 LEU HD13 H 1 0.729 0.05 . 2 . . . . 47 . . . 6198 1 531 . 1 1 47 47 LEU HD21 H 1 0.699 0.05 . 2 . . . . 47 . . . 6198 1 532 . 1 1 47 47 LEU HD22 H 1 0.699 0.05 . 2 . . . . 47 . . . 6198 1 533 . 1 1 47 47 LEU HD23 H 1 0.699 0.05 . 2 . . . . 47 . . . 6198 1 534 . 1 1 47 47 LEU CD1 C 13 22.696 0.2 . 1 . . . . 47 . . . 6198 1 535 . 1 1 47 47 LEU CD2 C 13 24.898 0.2 . 1 . . . . 47 . . . 6198 1 536 . 1 1 47 47 LEU C C 13 176.021 0.2 . 1 . . . . 47 . . . 6198 1 537 . 1 1 48 48 ALA N N 15 122.088 0.05 . 1 . . . . 48 . . . 6198 1 538 . 1 1 48 48 ALA H H 1 6.887 0.05 . 1 . . . . 48 . . . 6198 1 539 . 1 1 48 48 ALA CA C 13 54.076 0.2 . 1 . . . . 48 . . . 6198 1 540 . 1 1 48 48 ALA HA H 1 3.985 0.05 . 1 . . . . 48 . . . 6198 1 541 . 1 1 48 48 ALA HB1 H 1 1.201 0.05 . 1 . . . . 48 . . . 6198 1 542 . 1 1 48 48 ALA HB2 H 1 1.201 0.05 . 1 . . . . 48 . . . 6198 1 543 . 1 1 48 48 ALA HB3 H 1 1.201 0.05 . 1 . . . . 48 . . . 6198 1 544 . 1 1 48 48 ALA CB C 13 18.017 0.2 . 1 . . . . 48 . . . 6198 1 545 . 1 1 48 48 ALA C C 13 177.998 0.2 . 1 . . . . 48 . . . 6198 1 546 . 1 1 49 49 GLN N N 15 114.029 0.05 . 1 . . . . 49 . . . 6198 1 547 . 1 1 49 49 GLN H H 1 7.904 0.05 . 1 . . . . 49 . . . 6198 1 548 . 1 1 49 49 GLN CA C 13 55.452 0.2 . 1 . . . . 49 . . . 6198 1 549 . 1 1 49 49 GLN HA H 1 4.220 0.05 . 1 . . . . 49 . . . 6198 1 550 . 1 1 49 49 GLN CB C 13 28.201 0.2 . 1 . . . . 49 . . . 6198 1 551 . 1 1 49 49 GLN HB2 H 1 2.135 0.05 . 2 . . . . 49 . . . 6198 1 552 . 1 1 49 49 GLN HB3 H 1 1.801 0.05 . 2 . . . . 49 . . . 6198 1 553 . 1 1 49 49 GLN CG C 13 33.156 0.2 . 1 . . . . 49 . . . 6198 1 554 . 1 1 49 49 GLN HG2 H 1 2.247 0.05 . 1 . . . . 49 . . . 6198 1 555 . 1 1 49 49 GLN C C 13 175.213 0.2 . 1 . . . . 49 . . . 6198 1 556 . 1 1 50 50 ASP N N 15 120.198 0.05 . 1 . . . . 50 . . . 6198 1 557 . 1 1 50 50 ASP H H 1 7.670 0.05 . 1 . . . . 50 . . . 6198 1 558 . 1 1 50 50 ASP CA C 13 53.525 0.2 . 1 . . . . 50 . . . 6198 1 559 . 1 1 50 50 ASP HA H 1 4.372 0.05 . 1 . . . . 50 . . . 6198 1 560 . 1 1 50 50 ASP CB C 13 40.863 0.2 . 1 . . . . 50 . . . 6198 1 561 . 1 1 50 50 ASP HB2 H 1 2.615 0.05 . 2 . . . . 50 . . . 6198 1 562 . 1 1 50 50 ASP HB3 H 1 2.455 0.05 . 2 . . . . 50 . . . 6198 1 563 . 1 1 51 51 HIS CA C 13 55.072 0.2 . 1 . . . . 51 . . . 6198 1 564 . 1 1 51 51 HIS HA H 1 4.549 0.05 . 1 . . . . 51 . . . 6198 1 565 . 1 1 51 51 HIS CB C 13 29.027 0.2 . 1 . . . . 51 . . . 6198 1 566 . 1 1 51 51 HIS HB2 H 1 3.086 0.05 . 2 . . . . 51 . . . 6198 1 567 . 1 1 51 51 HIS HB3 H 1 2.998 0.05 . 2 . . . . 51 . . . 6198 1 568 . 1 1 51 51 HIS C C 13 174.736 0.2 . 1 . . . . 51 . . . 6198 1 569 . 1 1 52 52 VAL N N 15 117.662 0.05 . 1 . . . . 52 . . . 6198 1 570 . 1 1 52 52 VAL H H 1 7.635 0.05 . 1 . . . . 52 . . . 6198 1 571 . 1 1 52 52 VAL CA C 13 61.508 0.2 . 1 . . . . 52 . . . 6198 1 572 . 1 1 52 52 VAL HA H 1 4.028 0.05 . 1 . . . . 52 . . . 6198 1 573 . 1 1 52 52 VAL CB C 13 31.780 0.2 . 1 . . . . 52 . . . 6198 1 574 . 1 1 52 52 VAL HB H 1 1.955 0.05 . 1 . . . . 52 . . . 6198 1 575 . 1 1 52 52 VAL CG1 C 13 20.219 0.2 . 1 . . . . 52 . . . 6198 1 576 . 1 1 52 52 VAL HG11 H 1 0.679 0.05 . 1 . . . . 52 . . . 6198 1 577 . 1 1 52 52 VAL HG12 H 1 0.679 0.05 . 1 . . . . 52 . . . 6198 1 578 . 1 1 52 52 VAL HG13 H 1 0.679 0.05 . 1 . . . . 52 . . . 6198 1 579 . 1 1 54 54 GLY C C 13 173.536 0.2 . 1 . . . . 54 . . . 6198 1 580 . 1 1 55 55 ALA N N 15 122.067 0.05 . 1 . . . . 55 . . . 6198 1 581 . 1 1 55 55 ALA H H 1 8.132 0.05 . 1 . . . . 55 . . . 6198 1 582 . 1 1 55 55 ALA CA C 13 51.874 0.2 . 1 . . . . 55 . . . 6198 1 583 . 1 1 55 55 ALA HA H 1 4.543 0.05 . 1 . . . . 55 . . . 6198 1 584 . 1 1 55 55 ALA HB1 H 1 1.391 0.05 . 1 . . . . 55 . . . 6198 1 585 . 1 1 55 55 ALA HB2 H 1 1.391 0.05 . 1 . . . . 55 . . . 6198 1 586 . 1 1 55 55 ALA HB3 H 1 1.391 0.05 . 1 . . . . 55 . . . 6198 1 587 . 1 1 55 55 ALA CB C 13 18.567 0.2 . 1 . . . . 55 . . . 6198 1 588 . 1 1 55 55 ALA C C 13 177.671 0.2 . 1 . . . . 55 . . . 6198 1 589 . 1 1 56 56 VAL N N 15 120.960 0.05 . 1 . . . . 56 . . . 6198 1 590 . 1 1 56 56 VAL H H 1 8.192 0.05 . 1 . . . . 56 . . . 6198 1 591 . 1 1 56 56 VAL CA C 13 66.463 0.2 . 1 . . . . 56 . . . 6198 1 592 . 1 1 56 56 VAL HA H 1 3.845 0.05 . 1 . . . . 56 . . . 6198 1 593 . 1 1 56 56 VAL CB C 13 29.027 0.2 . 1 . . . . 56 . . . 6198 1 594 . 1 1 56 56 VAL HB H 1 2.214 0.05 . 1 . . . . 56 . . . 6198 1 595 . 1 1 56 56 VAL HG11 H 1 0.804 0.05 . 2 . . . . 56 . . . 6198 1 596 . 1 1 56 56 VAL HG12 H 1 0.804 0.05 . 2 . . . . 56 . . . 6198 1 597 . 1 1 56 56 VAL HG13 H 1 0.804 0.05 . 2 . . . . 56 . . . 6198 1 598 . 1 1 56 56 VAL HG21 H 1 1.128 0.05 . 2 . . . . 56 . . . 6198 1 599 . 1 1 56 56 VAL HG22 H 1 1.128 0.05 . 2 . . . . 56 . . . 6198 1 600 . 1 1 56 56 VAL HG23 H 1 1.128 0.05 . 2 . . . . 56 . . . 6198 1 601 . 1 1 56 56 VAL CG1 C 13 22.696 0.2 . 1 . . . . 56 . . . 6198 1 602 . 1 1 56 56 VAL CG2 C 13 23.247 0.2 . 1 . . . . 56 . . . 6198 1 603 . 1 1 57 57 PRO CD C 13 48.846 0.2 . 1 . . . . 57 . . . 6198 1 604 . 1 1 57 57 PRO CA C 13 65.637 0.2 . 1 . . . . 57 . . . 6198 1 605 . 1 1 57 57 PRO HA H 1 4.054 0.05 . 1 . . . . 57 . . . 6198 1 606 . 1 1 57 57 PRO CB C 13 29.302 0.2 . 1 . . . . 57 . . . 6198 1 607 . 1 1 57 57 PRO HB2 H 1 1.312 0.05 . 2 . . . . 57 . . . 6198 1 608 . 1 1 57 57 PRO HB3 H 1 0.775 0.05 . 2 . . . . 57 . . . 6198 1 609 . 1 1 57 57 PRO CG C 13 27.651 0.2 . 1 . . . . 57 . . . 6198 1 610 . 1 1 57 57 PRO HG2 H 1 1.817 0.05 . 2 . . . . 57 . . . 6198 1 611 . 1 1 57 57 PRO HG3 H 1 1.240 0.05 . 2 . . . . 57 . . . 6198 1 612 . 1 1 57 57 PRO HD2 H 1 3.799 0.05 . 2 . . . . 57 . . . 6198 1 613 . 1 1 57 57 PRO HD3 H 1 3.506 0.05 . 2 . . . . 57 . . . 6198 1 614 . 1 1 57 57 PRO C C 13 176.122 0.2 . 1 . . . . 57 . . . 6198 1 615 . 1 1 58 58 ASN N N 15 114.094 0.05 . 1 . . . . 58 . . . 6198 1 616 . 1 1 58 58 ASN H H 1 7.391 0.05 . 1 . . . . 58 . . . 6198 1 617 . 1 1 58 58 ASN CA C 13 56.003 0.2 . 1 . . . . 58 . . . 6198 1 618 . 1 1 58 58 ASN HA H 1 4.167 0.05 . 1 . . . . 58 . . . 6198 1 619 . 1 1 58 58 ASN CB C 13 37.560 0.2 . 1 . . . . 58 . . . 6198 1 620 . 1 1 58 58 ASN HB2 H 1 2.779 0.05 . 2 . . . . 58 . . . 6198 1 621 . 1 1 58 58 ASN HB3 H 1 2.753 0.05 . 2 . . . . 58 . . . 6198 1 622 . 1 1 58 58 ASN C C 13 175.877 0.2 . 1 . . . . 58 . . . 6198 1 623 . 1 1 59 59 PHE N N 15 121.572 0.05 . 1 . . . . 59 . . . 6198 1 624 . 1 1 59 59 PHE H H 1 7.685 0.05 . 1 . . . . 59 . . . 6198 1 625 . 1 1 59 59 PHE CA C 13 59.306 0.2 . 1 . . . . 59 . . . 6198 1 626 . 1 1 59 59 PHE HA H 1 4.311 0.05 . 1 . . . . 59 . . . 6198 1 627 . 1 1 59 59 PHE CB C 13 38.006 0.2 . 1 . . . . 59 . . . 6198 1 628 . 1 1 59 59 PHE HB2 H 1 3.237 0.05 . 1 . . . . 59 . . . 6198 1 629 . 1 1 59 59 PHE HD1 H 1 7.062 0.05 . 1 . . . . 59 . . . 6198 1 630 . 1 1 59 59 PHE HE1 H 1 7.192 0.05 . 1 . . . . 59 . . . 6198 1 631 . 1 1 59 59 PHE CD1 C 13 132.086 0.2 . 1 . . . . 59 . . . 6198 1 632 . 1 1 59 59 PHE CE1 C 13 130.780 0.2 . 1 . . . . 59 . . . 6198 1 633 . 1 1 59 59 PHE CZ C 13 132.521 0.2 . 1 . . . . 59 . . . 6198 1 634 . 1 1 59 59 PHE HZ H 1 7.368 0.05 . 1 . . . . 59 . . . 6198 1 635 . 1 1 59 59 PHE C C 13 175.396 0.2 . 1 . . . . 59 . . . 6198 1 636 . 1 1 60 60 VAL N N 15 117.245 0.05 . 1 . . . . 60 . . . 6198 1 637 . 1 1 60 60 VAL H H 1 7.644 0.05 . 1 . . . . 60 . . . 6198 1 638 . 1 1 60 60 VAL CA C 13 65.637 0.2 . 1 . . . . 60 . . . 6198 1 639 . 1 1 60 60 VAL HA H 1 3.145 0.05 . 1 . . . . 60 . . . 6198 1 640 . 1 1 60 60 VAL CB C 13 30.954 0.2 . 1 . . . . 60 . . . 6198 1 641 . 1 1 60 60 VAL HB H 1 2.247 0.05 . 1 . . . . 60 . . . 6198 1 642 . 1 1 60 60 VAL HG11 H 1 0.689 0.05 . 2 . . . . 60 . . . 6198 1 643 . 1 1 60 60 VAL HG12 H 1 0.689 0.05 . 2 . . . . 60 . . . 6198 1 644 . 1 1 60 60 VAL HG13 H 1 0.689 0.05 . 2 . . . . 60 . . . 6198 1 645 . 1 1 60 60 VAL HG21 H 1 0.650 0.05 . 2 . . . . 60 . . . 6198 1 646 . 1 1 60 60 VAL HG22 H 1 0.650 0.05 . 2 . . . . 60 . . . 6198 1 647 . 1 1 60 60 VAL HG23 H 1 0.650 0.05 . 2 . . . . 60 . . . 6198 1 648 . 1 1 60 60 VAL CG1 C 13 21.870 0.2 . 1 . . . . 60 . . . 6198 1 649 . 1 1 60 60 VAL CG2 C 13 22.696 0.2 . 1 . . . . 60 . . . 6198 1 650 . 1 1 60 60 VAL C C 13 176.744 0.2 . 1 . . . . 60 . . . 6198 1 651 . 1 1 61 61 LYS N N 15 119.763 0.05 . 1 . . . . 61 . . . 6198 1 652 . 1 1 61 61 LYS H H 1 8.070 0.05 . 1 . . . . 61 . . . 6198 1 653 . 1 1 61 61 LYS CA C 13 57.930 0.2 . 1 . . . . 61 . . . 6198 1 654 . 1 1 61 61 LYS HA H 1 4.088 0.05 . 1 . . . . 61 . . . 6198 1 655 . 1 1 61 61 LYS CB C 13 32.055 0.2 . 1 . . . . 61 . . . 6198 1 656 . 1 1 61 61 LYS HB2 H 1 2.050 0.05 . 2 . . . . 61 . . . 6198 1 657 . 1 1 61 61 LYS HB3 H 1 1.892 0.05 . 2 . . . . 61 . . . 6198 1 658 . 1 1 61 61 LYS CG C 13 23.797 0.2 . 1 . . . . 61 . . . 6198 1 659 . 1 1 61 61 LYS HG2 H 1 1.625 0.05 . 2 . . . . 61 . . . 6198 1 660 . 1 1 61 61 LYS HG3 H 1 1.414 0.05 . 2 . . . . 61 . . . 6198 1 661 . 1 1 61 61 LYS CD C 13 28.153 0.2 . 1 . . . . 61 . . . 6198 1 662 . 1 1 61 61 LYS HD2 H 1 1.804 0.05 . 2 . . . . 61 . . . 6198 1 663 . 1 1 61 61 LYS HD3 H 1 1.558 0.05 . 2 . . . . 61 . . . 6198 1 664 . 1 1 61 61 LYS CE C 13 41.964 0.2 . 1 . . . . 61 . . . 6198 1 665 . 1 1 61 61 LYS HE2 H 1 2.996 0.05 . 1 . . . . 61 . . . 6198 1 666 . 1 1 61 61 LYS C C 13 180.004 0.2 . 1 . . . . 61 . . . 6198 1 667 . 1 1 62 62 GLU N N 15 121.768 0.05 . 1 . . . . 62 . . . 6198 1 668 . 1 1 62 62 GLU H H 1 8.422 0.05 . 1 . . . . 62 . . . 6198 1 669 . 1 1 62 62 GLU CA C 13 58.480 0.2 . 1 . . . . 62 . . . 6198 1 670 . 1 1 62 62 GLU HA H 1 3.933 0.05 . 1 . . . . 62 . . . 6198 1 671 . 1 1 62 62 GLU CB C 13 28.477 0.2 . 1 . . . . 62 . . . 6198 1 672 . 1 1 62 62 GLU HB2 H 1 2.069 0.05 . 2 . . . . 62 . . . 6198 1 673 . 1 1 62 62 GLU HB3 H 1 2.001 0.05 . 2 . . . . 62 . . . 6198 1 674 . 1 1 62 62 GLU CG C 13 35.909 0.2 . 1 . . . . 62 . . . 6198 1 675 . 1 1 62 62 GLU HG2 H 1 2.326 0.05 . 2 . . . . 62 . . . 6198 1 676 . 1 1 62 62 GLU HG3 H 1 2.224 0.05 . 2 . . . . 62 . . . 6198 1 677 . 1 1 62 62 GLU C C 13 177.779 0.2 . 1 . . . . 62 . . . 6198 1 678 . 1 1 63 63 LYS N N 15 117.510 0.05 . 1 . . . . 63 . . . 6198 1 679 . 1 1 63 63 LYS H H 1 7.022 0.05 . 1 . . . . 63 . . . 6198 1 680 . 1 1 63 63 LYS CA C 13 54.627 0.2 . 1 . . . . 63 . . . 6198 1 681 . 1 1 63 63 LYS HA H 1 3.800 0.05 . 1 . . . . 63 . . . 6198 1 682 . 1 1 63 63 LYS CB C 13 30.954 0.2 . 1 . . . . 63 . . . 6198 1 683 . 1 1 63 63 LYS HB2 H 1 1.224 0.05 . 2 . . . . 63 . . . 6198 1 684 . 1 1 63 63 LYS HB3 H 1 0.740 0.05 . 2 . . . . 63 . . . 6198 1 685 . 1 1 63 63 LYS CG C 13 22.971 0.2 . 1 . . . . 63 . . . 6198 1 686 . 1 1 63 63 LYS HG2 H 1 0.594 0.05 . 2 . . . . 63 . . . 6198 1 687 . 1 1 63 63 LYS HG3 H 1 0.291 0.05 . 2 . . . . 63 . . . 6198 1 688 . 1 1 63 63 LYS CD C 13 26.825 0.2 . 1 . . . . 63 . . . 6198 1 689 . 1 1 63 63 LYS HD2 H 1 1.051 0.05 . 2 . . . . 63 . . . 6198 1 690 . 1 1 63 63 LYS HD3 H 1 0.880 0.05 . 2 . . . . 63 . . . 6198 1 691 . 1 1 63 63 LYS CE C 13 41.139 0.2 . 1 . . . . 63 . . . 6198 1 692 . 1 1 63 63 LYS HE2 H 1 2.414 0.05 . 2 . . . . 63 . . . 6198 1 693 . 1 1 63 63 LYS HE3 H 1 2.368 0.05 . 2 . . . . 63 . . . 6198 1 694 . 1 1 63 63 LYS C C 13 175.791 0.2 . 1 . . . . 63 . . . 6198 1 695 . 1 1 64 64 GLY N N 15 104.928 0.05 . 1 . . . . 64 . . . 6198 1 696 . 1 1 64 64 GLY H H 1 7.777 0.05 . 1 . . . . 64 . . . 6198 1 697 . 1 1 64 64 GLY CA C 13 44.167 0.2 . 1 . . . . 64 . . . 6198 1 698 . 1 1 64 64 GLY HA2 H 1 4.088 0.05 . 2 . . . . 64 . . . 6198 1 699 . 1 1 64 64 GLY HA3 H 1 3.589 0.05 . 2 . . . . 64 . . . 6198 1 700 . 1 1 64 64 GLY C C 13 173.674 0.2 . 1 . . . . 64 . . . 6198 1 701 . 1 1 65 65 ALA N N 15 119.871 0.05 . 1 . . . . 65 . . . 6198 1 702 . 1 1 65 65 ALA H H 1 7.035 0.05 . 1 . . . . 65 . . . 6198 1 703 . 1 1 65 65 ALA CA C 13 52.424 0.2 . 1 . . . . 65 . . . 6198 1 704 . 1 1 65 65 ALA HA H 1 4.049 0.05 . 1 . . . . 65 . . . 6198 1 705 . 1 1 65 65 ALA HB1 H 1 1.142 0.05 . 1 . . . . 65 . . . 6198 1 706 . 1 1 65 65 ALA HB2 H 1 1.142 0.05 . 1 . . . . 65 . . . 6198 1 707 . 1 1 65 65 ALA HB3 H 1 1.142 0.05 . 1 . . . . 65 . . . 6198 1 708 . 1 1 65 65 ALA CB C 13 19.668 0.2 . 1 . . . . 65 . . . 6198 1 709 . 1 1 65 65 ALA C C 13 176.055 0.2 . 1 . . . . 65 . . . 6198 1 710 . 1 1 66 66 GLU N N 15 118.243 0.05 . 1 . . . . 66 . . . 6198 1 711 . 1 1 66 66 GLU H H 1 8.350 0.05 . 1 . . . . 66 . . . 6198 1 712 . 1 1 66 66 GLU CA C 13 55.177 0.2 . 1 . . . . 66 . . . 6198 1 713 . 1 1 66 66 GLU HA H 1 4.497 0.05 . 1 . . . . 66 . . . 6198 1 714 . 1 1 66 66 GLU CB C 13 31.780 0.2 . 1 . . . . 66 . . . 6198 1 715 . 1 1 66 66 GLU HB2 H 1 2.197 0.05 . 2 . . . . 66 . . . 6198 1 716 . 1 1 66 66 GLU HB3 H 1 1.993 0.05 . 2 . . . . 66 . . . 6198 1 717 . 1 1 66 66 GLU CG C 13 36.459 0.2 . 1 . . . . 66 . . . 6198 1 718 . 1 1 66 66 GLU HG2 H 1 2.306 0.05 . 1 . . . . 66 . . . 6198 1 719 . 1 1 66 66 GLU C C 13 174.102 0.2 . 1 . . . . 66 . . . 6198 1 720 . 1 1 67 67 LEU N N 15 123.632 0.05 . 1 . . . . 67 . . . 6198 1 721 . 1 1 67 67 LEU H H 1 7.528 0.05 . 1 . . . . 67 . . . 6198 1 722 . 1 1 67 67 LEU CA C 13 52.954 0.2 . 1 . . . . 67 . . . 6198 1 723 . 1 1 67 67 LEU HA H 1 4.910 0.05 . 1 . . . . 67 . . . 6198 1 724 . 1 1 67 67 LEU CB C 13 45.543 0.2 . 1 . . . . 67 . . . 6198 1 725 . 1 1 67 67 LEU HB2 H 1 1.294 0.05 . 1 . . . . 67 . . . 6198 1 726 . 1 1 67 67 LEU CG C 13 26.550 0.2 . 1 . . . . 67 . . . 6198 1 727 . 1 1 67 67 LEU HG H 1 1.058 0.05 . 1 . . . . 67 . . . 6198 1 728 . 1 1 67 67 LEU HD11 H 1 0.553 0.05 . 2 . . . . 67 . . . 6198 1 729 . 1 1 67 67 LEU HD12 H 1 0.553 0.05 . 2 . . . . 67 . . . 6198 1 730 . 1 1 67 67 LEU HD13 H 1 0.553 0.05 . 2 . . . . 67 . . . 6198 1 731 . 1 1 67 67 LEU HD21 H 1 0.144 0.05 . 2 . . . . 67 . . . 6198 1 732 . 1 1 67 67 LEU HD22 H 1 0.144 0.05 . 2 . . . . 67 . . . 6198 1 733 . 1 1 67 67 LEU HD23 H 1 0.144 0.05 . 2 . . . . 67 . . . 6198 1 734 . 1 1 67 67 LEU CD1 C 13 23.247 0.2 . 1 . . . . 67 . . . 6198 1 735 . 1 1 67 67 LEU CD2 C 13 24.623 0.2 . 1 . . . . 67 . . . 6198 1 736 . 1 1 67 67 LEU C C 13 172.879 0.2 . 1 . . . . 67 . . . 6198 1 737 . 1 1 68 68 VAL N N 15 126.036 0.05 . 1 . . . . 68 . . . 6198 1 738 . 1 1 68 68 VAL H H 1 8.617 0.05 . 1 . . . . 68 . . . 6198 1 739 . 1 1 68 68 VAL CA C 13 58.480 0.2 . 1 . . . . 68 . . . 6198 1 740 . 1 1 68 68 VAL HA H 1 5.152 0.05 . 1 . . . . 68 . . . 6198 1 741 . 1 1 68 68 VAL CB C 13 33.431 0.2 . 1 . . . . 68 . . . 6198 1 742 . 1 1 68 68 VAL HB H 1 1.322 0.05 . 1 . . . . 68 . . . 6198 1 743 . 1 1 68 68 VAL HG11 H 1 0.499 0.05 . 2 . . . . 68 . . . 6198 1 744 . 1 1 68 68 VAL HG12 H 1 0.499 0.05 . 2 . . . . 68 . . . 6198 1 745 . 1 1 68 68 VAL HG13 H 1 0.499 0.05 . 2 . . . . 68 . . . 6198 1 746 . 1 1 68 68 VAL HG21 H 1 0.188 0.05 . 2 . . . . 68 . . . 6198 1 747 . 1 1 68 68 VAL HG22 H 1 0.188 0.05 . 2 . . . . 68 . . . 6198 1 748 . 1 1 68 68 VAL HG23 H 1 0.188 0.05 . 2 . . . . 68 . . . 6198 1 749 . 1 1 68 68 VAL CG1 C 13 20.219 0.2 . 1 . . . . 68 . . . 6198 1 750 . 1 1 68 68 VAL CG2 C 13 20.494 0.2 . 1 . . . . 68 . . . 6198 1 751 . 1 1 68 68 VAL C C 13 173.047 0.2 . 1 . . . . 68 . . . 6198 1 752 . 1 1 69 69 ILE N N 15 126.383 0.05 . 1 . . . . 69 . . . 6198 1 753 . 1 1 69 69 ILE H H 1 7.934 0.05 . 1 . . . . 69 . . . 6198 1 754 . 1 1 69 69 ILE CA C 13 59.857 0.2 . 1 . . . . 69 . . . 6198 1 755 . 1 1 69 69 ILE HA H 1 4.736 0.05 . 1 . . . . 69 . . . 6198 1 756 . 1 1 69 69 ILE CB C 13 38.661 0.2 . 1 . . . . 69 . . . 6198 1 757 . 1 1 69 69 ILE HB H 1 1.316 0.05 . 1 . . . . 69 . . . 6198 1 758 . 1 1 69 69 ILE HG21 H 1 0.533 0.05 . 1 . . . . 69 . . . 6198 1 759 . 1 1 69 69 ILE HG22 H 1 0.533 0.05 . 1 . . . . 69 . . . 6198 1 760 . 1 1 69 69 ILE HG23 H 1 0.533 0.05 . 1 . . . . 69 . . . 6198 1 761 . 1 1 69 69 ILE CG2 C 13 17.466 0.2 . 1 . . . . 69 . . . 6198 1 762 . 1 1 69 69 ILE CG1 C 13 26.275 0.2 . 1 . . . . 69 . . . 6198 1 763 . 1 1 69 69 ILE HG12 H 1 1.169 0.05 . 1 . . . . 69 . . . 6198 1 764 . 1 1 69 69 ILE HG13 H 1 0.468 0.05 . 1 . . . . 69 . . . 6198 1 765 . 1 1 69 69 ILE HD11 H 1 0.371 0.05 . 1 . . . . 69 . . . 6198 1 766 . 1 1 69 69 ILE HD12 H 1 0.371 0.05 . 1 . . . . 69 . . . 6198 1 767 . 1 1 69 69 ILE HD13 H 1 0.371 0.05 . 1 . . . . 69 . . . 6198 1 768 . 1 1 69 69 ILE CD1 C 13 12.787 0.2 . 1 . . . . 69 . . . 6198 1 769 . 1 1 69 69 ILE C C 13 173.129 0.2 . 1 . . . . 69 . . . 6198 1 770 . 1 1 70 70 VAL N N 15 113.804 0.05 . 1 . . . . 70 . . . 6198 1 771 . 1 1 70 70 VAL H H 1 8.589 0.05 . 1 . . . . 70 . . . 6198 1 772 . 1 1 70 70 VAL CA C 13 57.104 0.2 . 1 . . . . 70 . . . 6198 1 773 . 1 1 70 70 VAL HA H 1 4.687 0.05 . 1 . . . . 70 . . . 6198 1 774 . 1 1 70 70 VAL CB C 13 33.982 0.2 . 1 . . . . 70 . . . 6198 1 775 . 1 1 70 70 VAL HB H 1 2.373 0.05 . 1 . . . . 70 . . . 6198 1 776 . 1 1 70 70 VAL HG11 H 1 0.765 0.05 . 2 . . . . 70 . . . 6198 1 777 . 1 1 70 70 VAL HG12 H 1 0.765 0.05 . 2 . . . . 70 . . . 6198 1 778 . 1 1 70 70 VAL HG13 H 1 0.765 0.05 . 2 . . . . 70 . . . 6198 1 779 . 1 1 70 70 VAL HG21 H 1 0.499 0.05 . 2 . . . . 70 . . . 6198 1 780 . 1 1 70 70 VAL HG22 H 1 0.499 0.05 . 2 . . . . 70 . . . 6198 1 781 . 1 1 70 70 VAL HG23 H 1 0.499 0.05 . 2 . . . . 70 . . . 6198 1 782 . 1 1 70 70 VAL CG1 C 13 22.696 0.2 . 1 . . . . 70 . . . 6198 1 783 . 1 1 70 70 VAL CG2 C 13 18.292 0.2 . 1 . . . . 70 . . . 6198 1 784 . 1 1 70 70 VAL C C 13 173.899 0.2 . 1 . . . . 70 . . . 6198 1 785 . 1 1 71 71 ARG N N 15 121.790 0.05 . 1 . . . . 71 . . . 6198 1 786 . 1 1 71 71 ARG H H 1 8.913 0.05 . 1 . . . . 71 . . . 6198 1 787 . 1 1 71 71 ARG CA C 13 57.654 0.2 . 1 . . . . 71 . . . 6198 1 788 . 1 1 71 71 ARG HA H 1 4.519 0.05 . 1 . . . . 71 . . . 6198 1 789 . 1 1 71 71 ARG CB C 13 28.477 0.2 . 1 . . . . 71 . . . 6198 1 790 . 1 1 71 71 ARG HB2 H 1 2.053 0.05 . 2 . . . . 71 . . . 6198 1 791 . 1 1 71 71 ARG HB3 H 1 1.658 0.05 . 2 . . . . 71 . . . 6198 1 792 . 1 1 71 71 ARG CG C 13 26.550 0.2 . 1 . . . . 71 . . . 6198 1 793 . 1 1 71 71 ARG HG2 H 1 1.561 0.05 . 2 . . . . 71 . . . 6198 1 794 . 1 1 71 71 ARG HG3 H 1 1.359 0.05 . 2 . . . . 71 . . . 6198 1 795 . 1 1 71 71 ARG CD C 13 42.515 0.2 . 1 . . . . 71 . . . 6198 1 796 . 1 1 71 71 ARG HD2 H 1 3.102 0.05 . 2 . . . . 71 . . . 6198 1 797 . 1 1 71 71 ARG HD3 H 1 2.892 0.05 . 2 . . . . 71 . . . 6198 1 798 . 1 1 71 71 ARG C C 13 175.009 0.2 . 1 . . . . 71 . . . 6198 1 799 . 1 1 72 72 GLY N N 15 106.935 0.05 . 1 . . . . 72 . . . 6198 1 800 . 1 1 72 72 GLY H H 1 7.803 0.05 . 1 . . . . 72 . . . 6198 1 801 . 1 1 72 72 GLY CA C 13 43.616 0.2 . 1 . . . . 72 . . . 6198 1 802 . 1 1 72 72 GLY HA2 H 1 4.452 0.05 . 2 . . . . 72 . . . 6198 1 803 . 1 1 72 72 GLY HA3 H 1 3.764 0.05 . 2 . . . . 72 . . . 6198 1 804 . 1 1 72 72 GLY C C 13 171.411 0.2 . 1 . . . . 72 . . . 6198 1 805 . 1 1 73 73 ILE N N 15 118.079 0.05 . 1 . . . . 73 . . . 6198 1 806 . 1 1 73 73 ILE H H 1 7.864 0.05 . 1 . . . . 73 . . . 6198 1 807 . 1 1 73 73 ILE CA C 13 60.577 0.2 . 1 . . . . 73 . . . 6198 1 808 . 1 1 73 73 ILE HA H 1 4.553 0.05 . 1 . . . . 73 . . . 6198 1 809 . 1 1 73 73 ILE CB C 13 38.281 0.2 . 1 . . . . 73 . . . 6198 1 810 . 1 1 73 73 ILE HB H 1 1.905 0.05 . 1 . . . . 73 . . . 6198 1 811 . 1 1 73 73 ILE HG21 H 1 0.625 0.05 . 1 . . . . 73 . . . 6198 1 812 . 1 1 73 73 ILE HG22 H 1 0.625 0.05 . 1 . . . . 73 . . . 6198 1 813 . 1 1 73 73 ILE HG23 H 1 0.625 0.05 . 1 . . . . 73 . . . 6198 1 814 . 1 1 73 73 ILE CG2 C 13 14.333 0.2 . 1 . . . . 73 . . . 6198 1 815 . 1 1 73 73 ILE CG1 C 13 28.096 0.2 . 1 . . . . 73 . . . 6198 1 816 . 1 1 73 73 ILE HG12 H 1 1.590 0.05 . 1 . . . . 73 . . . 6198 1 817 . 1 1 73 73 ILE HG13 H 1 1.326 0.05 . 1 . . . . 73 . . . 6198 1 818 . 1 1 73 73 ILE HD11 H 1 0.220 0.05 . 1 . . . . 73 . . . 6198 1 819 . 1 1 73 73 ILE HD12 H 1 0.220 0.05 . 1 . . . . 73 . . . 6198 1 820 . 1 1 73 73 ILE HD13 H 1 0.220 0.05 . 1 . . . . 73 . . . 6198 1 821 . 1 1 73 73 ILE CD1 C 13 12.681 0.2 . 1 . . . . 73 . . . 6198 1 822 . 1 1 73 73 ILE C C 13 171.927 0.2 . 1 . . . . 73 . . . 6198 1 823 . 1 1 74 74 GLY N N 15 114.723 0.05 . 1 . . . . 74 . . . 6198 1 824 . 1 1 74 74 GLY H H 1 8.656 0.05 . 1 . . . . 74 . . . 6198 1 825 . 1 1 74 74 GLY CA C 13 44.167 0.2 . 1 . . . . 74 . . . 6198 1 826 . 1 1 74 74 GLY HA2 H 1 4.391 0.05 . 2 . . . . 74 . . . 6198 1 827 . 1 1 74 74 GLY HA3 H 1 4.060 0.05 . 2 . . . . 74 . . . 6198 1 828 . 1 1 74 74 GLY C C 13 174.031 0.2 . 1 . . . . 74 . . . 6198 1 829 . 1 1 75 75 ARG N N 15 120.382 0.05 . 1 . . . . 75 . . . 6198 1 830 . 1 1 75 75 ARG H H 1 8.635 0.05 . 1 . . . . 75 . . . 6198 1 831 . 1 1 75 75 ARG CA C 13 58.650 0.2 . 1 . . . . 75 . . . 6198 1 832 . 1 1 75 75 ARG HA H 1 3.907 0.05 . 1 . . . . 75 . . . 6198 1 833 . 1 1 75 75 ARG CB C 13 29.197 0.2 . 1 . . . . 75 . . . 6198 1 834 . 1 1 75 75 ARG HB2 H 1 1.872 0.05 . 2 . . . . 75 . . . 6198 1 835 . 1 1 75 75 ARG HB3 H 1 1.806 0.05 . 2 . . . . 75 . . . 6198 1 836 . 1 1 75 75 ARG CG C 13 26.444 0.2 . 1 . . . . 75 . . . 6198 1 837 . 1 1 75 75 ARG HG2 H 1 1.730 0.05 . 2 . . . . 75 . . . 6198 1 838 . 1 1 75 75 ARG CD C 13 42.410 0.2 . 1 . . . . 75 . . . 6198 1 839 . 1 1 75 75 ARG HD2 H 1 3.191 0.05 . 2 . . . . 75 . . . 6198 1 840 . 1 1 76 76 ARG CA C 13 58.375 0.2 . 1 . . . . 76 . . . 6198 1 841 . 1 1 76 76 ARG HA H 1 4.044 0.05 . 1 . . . . 76 . . . 6198 1 842 . 1 1 76 76 ARG CB C 13 28.371 0.2 . 1 . . . . 76 . . . 6198 1 843 . 1 1 76 76 ARG HB2 H 1 1.881 0.05 . 2 . . . . 76 . . . 6198 1 844 . 1 1 76 76 ARG HB3 H 1 1.804 0.05 . 2 . . . . 76 . . . 6198 1 845 . 1 1 76 76 ARG CG C 13 26.720 0.2 . 1 . . . . 76 . . . 6198 1 846 . 1 1 76 76 ARG HG2 H 1 1.722 0.05 . 2 . . . . 76 . . . 6198 1 847 . 1 1 76 76 ARG HG3 H 1 1.604 0.05 . 2 . . . . 76 . . . 6198 1 848 . 1 1 76 76 ARG CD C 13 42.410 0.2 . 1 . . . . 76 . . . 6198 1 849 . 1 1 76 76 ARG HD2 H 1 3.141 0.05 . 2 . . . . 76 . . . 6198 1 850 . 1 1 76 76 ARG C C 13 178.404 0.2 . 1 . . . . 76 . . . 6198 1 851 . 1 1 77 77 ALA N N 15 123.342 0.05 . 1 . . . . 77 . . . 6198 1 852 . 1 1 77 77 ALA H H 1 7.675 0.05 . 1 . . . . 77 . . . 6198 1 853 . 1 1 77 77 ALA CA C 13 54.076 0.2 . 1 . . . . 77 . . . 6198 1 854 . 1 1 77 77 ALA HA H 1 3.987 0.05 . 1 . . . . 77 . . . 6198 1 855 . 1 1 77 77 ALA HB1 H 1 1.351 0.05 . 1 . . . . 77 . . . 6198 1 856 . 1 1 77 77 ALA HB2 H 1 1.351 0.05 . 1 . . . . 77 . . . 6198 1 857 . 1 1 77 77 ALA HB3 H 1 1.351 0.05 . 1 . . . . 77 . . . 6198 1 858 . 1 1 77 77 ALA CB C 13 17.191 0.2 . 1 . . . . 77 . . . 6198 1 859 . 1 1 77 77 ALA C C 13 178.268 0.2 . 1 . . . . 77 . . . 6198 1 860 . 1 1 78 78 ILE N N 15 117.581 0.05 . 1 . . . . 78 . . . 6198 1 861 . 1 1 78 78 ILE H H 1 7.709 0.05 . 1 . . . . 78 . . . 6198 1 862 . 1 1 78 78 ILE CA C 13 65.637 0.2 . 1 . . . . 78 . . . 6198 1 863 . 1 1 78 78 ILE HA H 1 3.576 0.05 . 1 . . . . 78 . . . 6198 1 864 . 1 1 78 78 ILE CB C 13 37.285 0.2 . 1 . . . . 78 . . . 6198 1 865 . 1 1 78 78 ILE HB H 1 1.839 0.05 . 1 . . . . 78 . . . 6198 1 866 . 1 1 78 78 ILE HG21 H 1 0.885 0.05 . 1 . . . . 78 . . . 6198 1 867 . 1 1 78 78 ILE HG22 H 1 0.885 0.05 . 1 . . . . 78 . . . 6198 1 868 . 1 1 78 78 ILE HG23 H 1 0.885 0.05 . 1 . . . . 78 . . . 6198 1 869 . 1 1 78 78 ILE CG2 C 13 16.916 0.2 . 1 . . . . 78 . . . 6198 1 870 . 1 1 78 78 ILE CG1 C 13 29.027 0.2 . 1 . . . . 78 . . . 6198 1 871 . 1 1 78 78 ILE HG12 H 1 1.715 0.05 . 1 . . . . 78 . . . 6198 1 872 . 1 1 78 78 ILE HG13 H 1 0.780 0.05 . 1 . . . . 78 . . . 6198 1 873 . 1 1 78 78 ILE HD11 H 1 0.758 0.05 . 1 . . . . 78 . . . 6198 1 874 . 1 1 78 78 ILE HD12 H 1 0.758 0.05 . 1 . . . . 78 . . . 6198 1 875 . 1 1 78 78 ILE HD13 H 1 0.758 0.05 . 1 . . . . 78 . . . 6198 1 876 . 1 1 78 78 ILE C C 13 177.131 0.2 . 1 . . . . 78 . . . 6198 1 877 . 1 1 79 79 ALA N N 15 120.737 0.05 . 1 . . . . 79 . . . 6198 1 878 . 1 1 79 79 ALA H H 1 7.771 0.05 . 1 . . . . 79 . . . 6198 1 879 . 1 1 79 79 ALA CA C 13 54.076 0.2 . 1 . . . . 79 . . . 6198 1 880 . 1 1 79 79 ALA HA H 1 4.159 0.05 . 1 . . . . 79 . . . 6198 1 881 . 1 1 79 79 ALA HB1 H 1 1.446 0.05 . 1 . . . . 79 . . . 6198 1 882 . 1 1 79 79 ALA HB2 H 1 1.446 0.05 . 1 . . . . 79 . . . 6198 1 883 . 1 1 79 79 ALA HB3 H 1 1.446 0.05 . 1 . . . . 79 . . . 6198 1 884 . 1 1 79 79 ALA CB C 13 17.191 0.2 . 1 . . . . 79 . . . 6198 1 885 . 1 1 79 79 ALA C C 13 179.961 0.2 . 1 . . . . 79 . . . 6198 1 886 . 1 1 80 80 ALA N N 15 121.790 0.05 . 1 . . . . 80 . . . 6198 1 887 . 1 1 80 80 ALA H H 1 7.735 0.05 . 1 . . . . 80 . . . 6198 1 888 . 1 1 80 80 ALA CA C 13 54.076 0.2 . 1 . . . . 80 . . . 6198 1 889 . 1 1 80 80 ALA HA H 1 4.086 0.05 . 1 . . . . 80 . . . 6198 1 890 . 1 1 80 80 ALA HB1 H 1 1.265 0.05 . 1 . . . . 80 . . . 6198 1 891 . 1 1 80 80 ALA HB2 H 1 1.265 0.05 . 1 . . . . 80 . . . 6198 1 892 . 1 1 80 80 ALA HB3 H 1 1.265 0.05 . 1 . . . . 80 . . . 6198 1 893 . 1 1 80 80 ALA CB C 13 16.916 0.2 . 1 . . . . 80 . . . 6198 1 894 . 1 1 80 80 ALA C C 13 179.739 0.2 . 1 . . . . 80 . . . 6198 1 895 . 1 1 81 81 PHE N N 15 117.228 0.05 . 1 . . . . 81 . . . 6198 1 896 . 1 1 81 81 PHE H H 1 8.068 0.05 . 1 . . . . 81 . . . 6198 1 897 . 1 1 81 81 PHE CA C 13 60.682 0.2 . 1 . . . . 81 . . . 6198 1 898 . 1 1 81 81 PHE HA H 1 4.343 0.05 . 1 . . . . 81 . . . 6198 1 899 . 1 1 81 81 PHE CB C 13 36.459 0.2 . 1 . . . . 81 . . . 6198 1 900 . 1 1 81 81 PHE HB2 H 1 3.197 0.05 . 2 . . . . 81 . . . 6198 1 901 . 1 1 81 81 PHE HB3 H 1 2.868 0.05 . 2 . . . . 81 . . . 6198 1 902 . 1 1 81 81 PHE C C 13 178.292 0.2 . 1 . . . . 81 . . . 6198 1 903 . 1 1 82 82 GLU N N 15 120.889 0.05 . 1 . . . . 82 . . . 6198 1 904 . 1 1 82 82 GLU H H 1 8.726 0.05 . 1 . . . . 82 . . . 6198 1 905 . 1 1 82 82 GLU CA C 13 59.031 0.2 . 1 . . . . 82 . . . 6198 1 906 . 1 1 82 82 GLU HA H 1 4.078 0.05 . 1 . . . . 82 . . . 6198 1 907 . 1 1 82 82 GLU CB C 13 28.477 0.2 . 1 . . . . 82 . . . 6198 1 908 . 1 1 82 82 GLU HB2 H 1 2.149 0.05 . 2 . . . . 82 . . . 6198 1 909 . 1 1 82 82 GLU HB3 H 1 2.016 0.05 . 2 . . . . 82 . . . 6198 1 910 . 1 1 82 82 GLU CG C 13 35.909 0.2 . 1 . . . . 82 . . . 6198 1 911 . 1 1 82 82 GLU HG2 H 1 2.493 0.05 . 2 . . . . 82 . . . 6198 1 912 . 1 1 82 82 GLU HG3 H 1 2.225 0.05 . 2 . . . . 82 . . . 6198 1 913 . 1 1 82 82 GLU C C 13 179.981 0.2 . 1 . . . . 82 . . . 6198 1 914 . 1 1 83 83 ALA N N 15 121.626 0.05 . 1 . . . . 83 . . . 6198 1 915 . 1 1 83 83 ALA H H 1 7.823 0.05 . 1 . . . . 83 . . . 6198 1 916 . 1 1 83 83 ALA CA C 13 53.801 0.2 . 1 . . . . 83 . . . 6198 1 917 . 1 1 83 83 ALA HA H 1 4.189 0.05 . 1 . . . . 83 . . . 6198 1 918 . 1 1 83 83 ALA HB1 H 1 1.508 0.05 . 1 . . . . 83 . . . 6198 1 919 . 1 1 83 83 ALA HB2 H 1 1.508 0.05 . 1 . . . . 83 . . . 6198 1 920 . 1 1 83 83 ALA HB3 H 1 1.508 0.05 . 1 . . . . 83 . . . 6198 1 921 . 1 1 83 83 ALA CB C 13 17.466 0.2 . 1 . . . . 83 . . . 6198 1 922 . 1 1 83 83 ALA C C 13 178.361 0.2 . 1 . . . . 83 . . . 6198 1 923 . 1 1 84 84 MET N N 15 114.416 0.05 . 1 . . . . 84 . . . 6198 1 924 . 1 1 84 84 MET H H 1 7.554 0.05 . 1 . . . . 84 . . . 6198 1 925 . 1 1 84 84 MET CA C 13 55.072 0.2 . 1 . . . . 84 . . . 6198 1 926 . 1 1 84 84 MET HA H 1 4.497 0.05 . 1 . . . . 84 . . . 6198 1 927 . 1 1 84 84 MET CB C 13 33.982 0.2 . 1 . . . . 84 . . . 6198 1 928 . 1 1 84 84 MET HB2 H 1 2.168 0.05 . 2 . . . . 84 . . . 6198 1 929 . 1 1 84 84 MET CG C 13 30.849 0.2 . 1 . . . . 84 . . . 6198 1 930 . 1 1 84 84 MET HG2 H 1 2.743 0.05 . 2 . . . . 84 . . . 6198 1 931 . 1 1 84 84 MET HG3 H 1 2.671 0.05 . 2 . . . . 84 . . . 6198 1 932 . 1 1 84 84 MET C C 13 175.286 0.2 . 1 . . . . 84 . . . 6198 1 933 . 1 1 85 85 GLY N N 15 108.427 0.05 . 1 . . . . 85 . . . 6198 1 934 . 1 1 85 85 GLY H H 1 7.811 0.05 . 1 . . . . 85 . . . 6198 1 935 . 1 1 85 85 GLY CA C 13 45.268 0.2 . 1 . . . . 85 . . . 6198 1 936 . 1 1 85 85 GLY HA2 H 1 4.034 0.05 . 2 . . . . 85 . . . 6198 1 937 . 1 1 85 85 GLY HA3 H 1 3.800 0.05 . 2 . . . . 85 . . . 6198 1 938 . 1 1 85 85 GLY C C 13 173.541 0.2 . 1 . . . . 85 . . . 6198 1 939 . 1 1 86 86 VAL N N 15 122.733 0.05 . 1 . . . . 86 . . . 6198 1 940 . 1 1 86 86 VAL H H 1 7.939 0.05 . 1 . . . . 86 . . . 6198 1 941 . 1 1 86 86 VAL CA C 13 60.958 0.2 . 1 . . . . 86 . . . 6198 1 942 . 1 1 86 86 VAL HA H 1 3.855 0.05 . 1 . . . . 86 . . . 6198 1 943 . 1 1 86 86 VAL CB C 13 32.606 0.2 . 1 . . . . 86 . . . 6198 1 944 . 1 1 86 86 VAL HB H 1 1.742 0.05 . 1 . . . . 86 . . . 6198 1 945 . 1 1 86 86 VAL HG11 H 1 0.211 0.05 . 2 . . . . 86 . . . 6198 1 946 . 1 1 86 86 VAL HG12 H 1 0.211 0.05 . 2 . . . . 86 . . . 6198 1 947 . 1 1 86 86 VAL HG13 H 1 0.211 0.05 . 2 . . . . 86 . . . 6198 1 948 . 1 1 86 86 VAL HG21 H 1 0.840 0.05 . 2 . . . . 86 . . . 6198 1 949 . 1 1 86 86 VAL HG22 H 1 0.840 0.05 . 2 . . . . 86 . . . 6198 1 950 . 1 1 86 86 VAL HG23 H 1 0.840 0.05 . 2 . . . . 86 . . . 6198 1 951 . 1 1 86 86 VAL CG1 C 13 20.219 0.2 . 1 . . . . 86 . . . 6198 1 952 . 1 1 86 86 VAL CG2 C 13 21.045 0.2 . 1 . . . . 86 . . . 6198 1 953 . 1 1 86 86 VAL C C 13 173.946 0.2 . 1 . . . . 86 . . . 6198 1 954 . 1 1 87 87 LYS N N 15 127.679 0.05 . 1 . . . . 87 . . . 6198 1 955 . 1 1 87 87 LYS H H 1 7.347 0.05 . 1 . . . . 87 . . . 6198 1 956 . 1 1 87 87 LYS CA C 13 55.452 0.2 . 1 . . . . 87 . . . 6198 1 957 . 1 1 87 87 LYS HA H 1 4.196 0.05 . 1 . . . . 87 . . . 6198 1 958 . 1 1 87 87 LYS CB C 13 32.881 0.2 . 1 . . . . 87 . . . 6198 1 959 . 1 1 87 87 LYS HB2 H 1 1.701 0.05 . 2 . . . . 87 . . . 6198 1 960 . 1 1 87 87 LYS CG C 13 24.348 0.2 . 1 . . . . 87 . . . 6198 1 961 . 1 1 87 87 LYS HG2 H 1 1.449 0.05 . 2 . . . . 87 . . . 6198 1 962 . 1 1 87 87 LYS HG3 H 1 1.288 0.05 . 2 . . . . 87 . . . 6198 1 963 . 1 1 87 87 LYS CD C 13 28.201 0.2 . 1 . . . . 87 . . . 6198 1 964 . 1 1 87 87 LYS HD2 H 1 1.645 0.05 . 2 . . . . 87 . . . 6198 1 965 . 1 1 87 87 LYS CE C 13 41.414 0.2 . 1 . . . . 87 . . . 6198 1 966 . 1 1 87 87 LYS HE2 H 1 2.968 0.05 . 2 . . . . 87 . . . 6198 1 967 . 1 1 87 87 LYS HE3 H 1 2.935 0.05 . 2 . . . . 87 . . . 6198 1 968 . 1 1 87 87 LYS C C 13 173.742 0.2 . 1 . . . . 87 . . . 6198 1 969 . 1 1 88 88 VAL N N 15 122.607 0.05 . 1 . . . . 88 . . . 6198 1 970 . 1 1 88 88 VAL H H 1 8.119 0.05 . 1 . . . . 88 . . . 6198 1 971 . 1 1 88 88 VAL CA C 13 59.857 0.2 . 1 . . . . 88 . . . 6198 1 972 . 1 1 88 88 VAL HA H 1 4.697 0.05 . 1 . . . . 88 . . . 6198 1 973 . 1 1 88 88 VAL CB C 13 33.707 0.2 . 1 . . . . 88 . . . 6198 1 974 . 1 1 88 88 VAL HB H 1 1.753 0.05 . 1 . . . . 88 . . . 6198 1 975 . 1 1 88 88 VAL CG1 C 13 21.045 0.2 . 1 . . . . 88 . . . 6198 1 976 . 1 1 88 88 VAL HG11 H 1 0.549 0.05 . 1 . . . . 88 . . . 6198 1 977 . 1 1 88 88 VAL HG12 H 1 0.549 0.05 . 1 . . . . 88 . . . 6198 1 978 . 1 1 88 88 VAL HG13 H 1 0.549 0.05 . 1 . . . . 88 . . . 6198 1 979 . 1 1 88 88 VAL C C 13 175.070 0.2 . 1 . . . . 88 . . . 6198 1 980 . 1 1 89 89 ILE N N 15 129.266 0.05 . 1 . . . . 89 . . . 6198 1 981 . 1 1 89 89 ILE H H 1 8.608 0.05 . 1 . . . . 89 . . . 6198 1 982 . 1 1 89 89 ILE CA C 13 60.132 0.2 . 1 . . . . 89 . . . 6198 1 983 . 1 1 89 89 ILE HA H 1 4.233 0.05 . 1 . . . . 89 . . . 6198 1 984 . 1 1 89 89 ILE CB C 13 39.212 0.2 . 1 . . . . 89 . . . 6198 1 985 . 1 1 89 89 ILE HB H 1 1.553 0.05 . 1 . . . . 89 . . . 6198 1 986 . 1 1 89 89 ILE HG21 H 1 0.783 0.05 . 1 . . . . 89 . . . 6198 1 987 . 1 1 89 89 ILE HG22 H 1 0.783 0.05 . 1 . . . . 89 . . . 6198 1 988 . 1 1 89 89 ILE HG23 H 1 0.783 0.05 . 1 . . . . 89 . . . 6198 1 989 . 1 1 89 89 ILE CG2 C 13 16.365 0.2 . 1 . . . . 89 . . . 6198 1 990 . 1 1 89 89 ILE CG1 C 13 26.825 0.2 . 1 . . . . 89 . . . 6198 1 991 . 1 1 89 89 ILE HG12 H 1 1.339 0.05 . 1 . . . . 89 . . . 6198 1 992 . 1 1 89 89 ILE HG13 H 1 0.975 0.05 . 1 . . . . 89 . . . 6198 1 993 . 1 1 89 89 ILE HD11 H 1 0.762 0.05 . 1 . . . . 89 . . . 6198 1 994 . 1 1 89 89 ILE HD12 H 1 0.762 0.05 . 1 . . . . 89 . . . 6198 1 995 . 1 1 89 89 ILE HD13 H 1 0.762 0.05 . 1 . . . . 89 . . . 6198 1 996 . 1 1 89 89 ILE CD1 C 13 13.062 0.2 . 1 . . . . 89 . . . 6198 1 997 . 1 1 89 89 ILE C C 13 172.898 0.2 . 1 . . . . 89 . . . 6198 1 998 . 1 1 90 90 LYS N N 15 124.279 0.05 . 1 . . . . 90 . . . 6198 1 999 . 1 1 90 90 LYS H H 1 8.673 0.05 . 1 . . . . 90 . . . 6198 1 1000 . 1 1 90 90 LYS CA C 13 53.525 0.2 . 1 . . . . 90 . . . 6198 1 1001 . 1 1 90 90 LYS HA H 1 4.994 0.05 . 1 . . . . 90 . . . 6198 1 1002 . 1 1 90 90 LYS CB C 13 33.431 0.2 . 1 . . . . 90 . . . 6198 1 1003 . 1 1 90 90 LYS HB2 H 1 1.879 0.05 . 2 . . . . 90 . . . 6198 1 1004 . 1 1 90 90 LYS HB3 H 1 1.471 0.05 . 2 . . . . 90 . . . 6198 1 1005 . 1 1 90 90 LYS CG C 13 22.696 0.2 . 1 . . . . 90 . . . 6198 1 1006 . 1 1 90 90 LYS HG2 H 1 1.303 0.05 . 2 . . . . 90 . . . 6198 1 1007 . 1 1 90 90 LYS CD C 13 28.477 0.2 . 1 . . . . 90 . . . 6198 1 1008 . 1 1 90 90 LYS HD2 H 1 1.619 0.05 . 2 . . . . 90 . . . 6198 1 1009 . 1 1 90 90 LYS HD3 H 1 1.540 0.05 . 2 . . . . 90 . . . 6198 1 1010 . 1 1 90 90 LYS CE C 13 40.313 0.2 . 1 . . . . 90 . . . 6198 1 1011 . 1 1 90 90 LYS HE2 H 1 2.974 0.05 . 2 . . . . 90 . . . 6198 1 1012 . 1 1 90 90 LYS HE3 H 1 2.911 0.05 . 2 . . . . 90 . . . 6198 1 1013 . 1 1 90 90 LYS C C 13 176.140 0.2 . 1 . . . . 90 . . . 6198 1 1014 . 1 1 91 91 GLY N N 15 107.462 0.05 . 1 . . . . 91 . . . 6198 1 1015 . 1 1 91 91 GLY H H 1 8.419 0.05 . 1 . . . . 91 . . . 6198 1 1016 . 1 1 91 91 GLY CA C 13 44.717 0.2 . 1 . . . . 91 . . . 6198 1 1017 . 1 1 91 91 GLY HA2 H 1 4.068 0.05 . 2 . . . . 91 . . . 6198 1 1018 . 1 1 91 91 GLY HA3 H 1 3.570 0.05 . 2 . . . . 91 . . . 6198 1 1019 . 1 1 91 91 GLY C C 13 173.348 0.2 . 1 . . . . 91 . . . 6198 1 1020 . 1 1 92 92 ALA N N 15 124.562 0.05 . 1 . . . . 92 . . . 6198 1 1021 . 1 1 92 92 ALA H H 1 8.264 0.05 . 1 . . . . 92 . . . 6198 1 1022 . 1 1 92 92 ALA CA C 13 51.323 0.2 . 1 . . . . 92 . . . 6198 1 1023 . 1 1 92 92 ALA HA H 1 4.261 0.05 . 1 . . . . 92 . . . 6198 1 1024 . 1 1 92 92 ALA HB1 H 1 1.071 0.05 . 1 . . . . 92 . . . 6198 1 1025 . 1 1 92 92 ALA HB2 H 1 1.071 0.05 . 1 . . . . 92 . . . 6198 1 1026 . 1 1 92 92 ALA HB3 H 1 1.071 0.05 . 1 . . . . 92 . . . 6198 1 1027 . 1 1 92 92 ALA CB C 13 19.943 0.2 . 1 . . . . 92 . . . 6198 1 1028 . 1 1 92 92 ALA C C 13 174.330 0.2 . 1 . . . . 92 . . . 6198 1 1029 . 1 1 93 93 SER N N 15 109.940 0.05 . 1 . . . . 93 . . . 6198 1 1030 . 1 1 93 93 SER H H 1 7.790 0.05 . 1 . . . . 93 . . . 6198 1 1031 . 1 1 93 93 SER CA C 13 56.829 0.2 . 1 . . . . 93 . . . 6198 1 1032 . 1 1 93 93 SER HA H 1 4.369 0.05 . 1 . . . . 93 . . . 6198 1 1033 . 1 1 93 93 SER CB C 13 64.811 0.2 . 1 . . . . 93 . . . 6198 1 1034 . 1 1 93 93 SER HB2 H 1 3.609 0.05 . 2 . . . . 93 . . . 6198 1 1035 . 1 1 93 93 SER C C 13 171.577 0.2 . 1 . . . . 93 . . . 6198 1 1036 . 1 1 94 94 GLY N N 15 110.137 0.05 . 1 . . . . 94 . . . 6198 1 1037 . 1 1 94 94 GLY H H 1 7.740 0.05 . 1 . . . . 94 . . . 6198 1 1038 . 1 1 94 94 GLY CA C 13 43.341 0.2 . 1 . . . . 94 . . . 6198 1 1039 . 1 1 94 94 GLY HA2 H 1 4.536 0.05 . 2 . . . . 94 . . . 6198 1 1040 . 1 1 94 94 GLY HA3 H 1 3.763 0.05 . 2 . . . . 94 . . . 6198 1 1041 . 1 1 94 94 GLY C C 13 172.435 0.2 . 1 . . . . 94 . . . 6198 1 1042 . 1 1 95 95 THR N N 15 109.737 0.05 . 1 . . . . 95 . . . 6198 1 1043 . 1 1 95 95 THR H H 1 8.136 0.05 . 1 . . . . 95 . . . 6198 1 1044 . 1 1 95 95 THR CA C 13 59.306 0.2 . 1 . . . . 95 . . . 6198 1 1045 . 1 1 95 95 THR HA H 1 4.902 0.05 . 1 . . . . 95 . . . 6198 1 1046 . 1 1 95 95 THR CB C 13 71.142 0.2 . 1 . . . . 95 . . . 6198 1 1047 . 1 1 95 95 THR HB H 1 4.331 0.05 . 1 . . . . 95 . . . 6198 1 1048 . 1 1 95 95 THR HG21 H 1 1.056 0.05 . 1 . . . . 95 . . . 6198 1 1049 . 1 1 95 95 THR HG22 H 1 1.056 0.05 . 1 . . . . 95 . . . 6198 1 1050 . 1 1 95 95 THR HG23 H 1 1.056 0.05 . 1 . . . . 95 . . . 6198 1 1051 . 1 1 95 95 THR CG2 C 13 21.595 0.2 . 1 . . . . 95 . . . 6198 1 1052 . 1 1 95 95 THR C C 13 174.999 0.2 . 1 . . . . 95 . . . 6198 1 1053 . 1 1 96 96 VAL N N 15 118.069 0.05 . 1 . . . . 96 . . . 6198 1 1054 . 1 1 96 96 VAL H H 1 8.031 0.05 . 1 . . . . 96 . . . 6198 1 1055 . 1 1 96 96 VAL CA C 13 66.463 0.2 . 1 . . . . 96 . . . 6198 1 1056 . 1 1 96 96 VAL HA H 1 3.256 0.05 . 1 . . . . 96 . . . 6198 1 1057 . 1 1 96 96 VAL CB C 13 30.954 0.2 . 1 . . . . 96 . . . 6198 1 1058 . 1 1 96 96 VAL HB H 1 1.983 0.05 . 1 . . . . 96 . . . 6198 1 1059 . 1 1 96 96 VAL HG11 H 1 0.681 0.05 . 2 . . . . 96 . . . 6198 1 1060 . 1 1 96 96 VAL HG12 H 1 0.681 0.05 . 2 . . . . 96 . . . 6198 1 1061 . 1 1 96 96 VAL HG13 H 1 0.681 0.05 . 2 . . . . 96 . . . 6198 1 1062 . 1 1 96 96 VAL HG21 H 1 0.859 0.05 . 2 . . . . 96 . . . 6198 1 1063 . 1 1 96 96 VAL HG22 H 1 0.859 0.05 . 2 . . . . 96 . . . 6198 1 1064 . 1 1 96 96 VAL HG23 H 1 0.859 0.05 . 2 . . . . 96 . . . 6198 1 1065 . 1 1 96 96 VAL CG1 C 13 21.045 0.2 . 1 . . . . 96 . . . 6198 1 1066 . 1 1 96 96 VAL CG2 C 13 24.072 0.2 . 1 . . . . 96 . . . 6198 1 1067 . 1 1 96 96 VAL C C 13 175.496 0.2 . 1 . . . . 96 . . . 6198 1 1068 . 1 1 97 97 GLU N N 15 116.881 0.05 . 1 . . . . 97 . . . 6198 1 1069 . 1 1 97 97 GLU H H 1 8.194 0.05 . 1 . . . . 97 . . . 6198 1 1070 . 1 1 97 97 GLU CA C 13 59.031 0.2 . 1 . . . . 97 . . . 6198 1 1071 . 1 1 97 97 GLU HA H 1 3.589 0.05 . 1 . . . . 97 . . . 6198 1 1072 . 1 1 97 97 GLU CB C 13 29.472 0.2 . 1 . . . . 97 . . . 6198 1 1073 . 1 1 97 97 GLU HB2 H 1 1.878 0.05 . 2 . . . . 97 . . . 6198 1 1074 . 1 1 97 97 GLU CG C 13 35.253 0.2 . 1 . . . . 97 . . . 6198 1 1075 . 1 1 97 97 GLU HG2 H 1 2.090 0.05 . 2 . . . . 97 . . . 6198 1 1076 . 1 1 97 97 GLU HG3 H 1 1.991 0.05 . 2 . . . . 97 . . . 6198 1 1077 . 1 1 97 97 GLU C C 13 176.875 0.2 . 1 . . . . 97 . . . 6198 1 1078 . 1 1 98 98 GLU N N 15 117.462 0.05 . 1 . . . . 98 . . . 6198 1 1079 . 1 1 98 98 GLU H H 1 7.386 0.05 . 1 . . . . 98 . . . 6198 1 1080 . 1 1 98 98 GLU C C 13 179.327 0.2 . 1 . . . . 98 . . . 6198 1 1081 . 1 1 99 99 VAL N N 15 117.207 0.05 . 1 . . . . 99 . . . 6198 1 1082 . 1 1 99 99 VAL H H 1 8.741 0.05 . 1 . . . . 99 . . . 6198 1 1083 . 1 1 99 99 VAL CA C 13 64.811 0.2 . 1 . . . . 99 . . . 6198 1 1084 . 1 1 99 99 VAL HA H 1 3.832 0.05 . 1 . . . . 99 . . . 6198 1 1085 . 1 1 99 99 VAL CB C 13 30.679 0.2 . 1 . . . . 99 . . . 6198 1 1086 . 1 1 99 99 VAL HB H 1 1.954 0.05 . 1 . . . . 99 . . . 6198 1 1087 . 1 1 99 99 VAL HG11 H 1 0.849 0.05 . 2 . . . . 99 . . . 6198 1 1088 . 1 1 99 99 VAL HG12 H 1 0.849 0.05 . 2 . . . . 99 . . . 6198 1 1089 . 1 1 99 99 VAL HG13 H 1 0.849 0.05 . 2 . . . . 99 . . . 6198 1 1090 . 1 1 99 99 VAL HG21 H 1 0.753 0.05 . 2 . . . . 99 . . . 6198 1 1091 . 1 1 99 99 VAL HG22 H 1 0.753 0.05 . 2 . . . . 99 . . . 6198 1 1092 . 1 1 99 99 VAL HG23 H 1 0.753 0.05 . 2 . . . . 99 . . . 6198 1 1093 . 1 1 99 99 VAL CG1 C 13 21.320 0.2 . 1 . . . . 99 . . . 6198 1 1094 . 1 1 99 99 VAL CG2 C 13 21.870 0.2 . 1 . . . . 99 . . . 6198 1 1095 . 1 1 99 99 VAL C C 13 177.756 0.2 . 1 . . . . 99 . . . 6198 1 1096 . 1 1 100 100 VAL N N 15 120.530 0.05 . 1 . . . . 100 . . . 6198 1 1097 . 1 1 100 100 VAL H H 1 8.364 0.05 . 1 . . . . 100 . . . 6198 1 1098 . 1 1 100 100 VAL CA C 13 66.738 0.2 . 1 . . . . 100 . . . 6198 1 1099 . 1 1 100 100 VAL HA H 1 3.480 0.05 . 1 . . . . 100 . . . 6198 1 1100 . 1 1 100 100 VAL CB C 13 30.128 0.2 . 1 . . . . 100 . . . 6198 1 1101 . 1 1 100 100 VAL HB H 1 2.029 0.05 . 1 . . . . 100 . . . 6198 1 1102 . 1 1 100 100 VAL HG11 H 1 0.773 0.05 . 2 . . . . 100 . . . 6198 1 1103 . 1 1 100 100 VAL HG12 H 1 0.773 0.05 . 2 . . . . 100 . . . 6198 1 1104 . 1 1 100 100 VAL HG13 H 1 0.773 0.05 . 2 . . . . 100 . . . 6198 1 1105 . 1 1 100 100 VAL HG21 H 1 0.908 0.05 . 2 . . . . 100 . . . 6198 1 1106 . 1 1 100 100 VAL HG22 H 1 0.908 0.05 . 2 . . . . 100 . . . 6198 1 1107 . 1 1 100 100 VAL HG23 H 1 0.908 0.05 . 2 . . . . 100 . . . 6198 1 1108 . 1 1 100 100 VAL CG1 C 13 21.595 0.2 . 1 . . . . 100 . . . 6198 1 1109 . 1 1 100 100 VAL CG2 C 13 24.072 0.2 . 1 . . . . 100 . . . 6198 1 1110 . 1 1 100 100 VAL C C 13 177.240 0.2 . 1 . . . . 100 . . . 6198 1 1111 . 1 1 101 101 ASN N N 15 119.093 0.05 . 1 . . . . 101 . . . 6198 1 1112 . 1 1 101 101 ASN H H 1 8.251 0.05 . 1 . . . . 101 . . . 6198 1 1113 . 1 1 101 101 ASN CA C 13 56.003 0.2 . 1 . . . . 101 . . . 6198 1 1114 . 1 1 101 101 ASN HA H 1 4.503 0.05 . 1 . . . . 101 . . . 6198 1 1115 . 1 1 101 101 ASN CB C 13 36.459 0.2 . 1 . . . . 101 . . . 6198 1 1116 . 1 1 101 101 ASN HB2 H 1 2.964 0.05 . 2 . . . . 101 . . . 6198 1 1117 . 1 1 101 101 ASN HB3 H 1 2.679 0.05 . 2 . . . . 101 . . . 6198 1 1118 . 1 1 101 101 ASN C C 13 178.727 0.2 . 1 . . . . 101 . . . 6198 1 1119 . 1 1 102 102 GLN N N 15 121.464 0.05 . 1 . . . . 102 . . . 6198 1 1120 . 1 1 102 102 GLN H H 1 8.323 0.05 . 1 . . . . 102 . . . 6198 1 1121 . 1 1 102 102 GLN CA C 13 58.755 0.2 . 1 . . . . 102 . . . 6198 1 1122 . 1 1 102 102 GLN HA H 1 3.967 0.05 . 1 . . . . 102 . . . 6198 1 1123 . 1 1 102 102 GLN CB C 13 27.926 0.2 . 1 . . . . 102 . . . 6198 1 1124 . 1 1 102 102 GLN HB2 H 1 2.340 0.05 . 2 . . . . 102 . . . 6198 1 1125 . 1 1 102 102 GLN HB3 H 1 1.885 0.05 . 2 . . . . 102 . . . 6198 1 1126 . 1 1 102 102 GLN CG C 13 33.431 0.2 . 1 . . . . 102 . . . 6198 1 1127 . 1 1 102 102 GLN HG2 H 1 2.603 0.05 . 2 . . . . 102 . . . 6198 1 1128 . 1 1 102 102 GLN HG3 H 1 2.231 0.05 . 2 . . . . 102 . . . 6198 1 1129 . 1 1 102 102 GLN C C 13 177.909 0.2 . 1 . . . . 102 . . . 6198 1 1130 . 1 1 103 103 TYR N N 15 121.876 0.05 . 1 . . . . 103 . . . 6198 1 1131 . 1 1 103 103 TYR H H 1 8.377 0.05 . 1 . . . . 103 . . . 6198 1 1132 . 1 1 103 103 TYR CA C 13 60.682 0.2 . 1 . . . . 103 . . . 6198 1 1133 . 1 1 103 103 TYR HA H 1 4.250 0.05 . 1 . . . . 103 . . . 6198 1 1134 . 1 1 103 103 TYR CB C 13 37.010 0.2 . 1 . . . . 103 . . . 6198 1 1135 . 1 1 103 103 TYR HB2 H 1 3.172 0.05 . 2 . . . . 103 . . . 6198 1 1136 . 1 1 103 103 TYR HB3 H 1 3.046 0.05 . 2 . . . . 103 . . . 6198 1 1137 . 1 1 103 103 TYR HD2 H 1 6.788 0.05 . 2 . . . . 103 . . . 6198 1 1138 . 1 1 103 103 TYR HE2 H 1 6.598 0.05 . 2 . . . . 103 . . . 6198 1 1139 . 1 1 103 103 TYR CD1 C 13 132.099 0.2 . 1 . . . . 103 . . . 6198 1 1140 . 1 1 103 103 TYR CE1 C 13 118.611 0.2 . 1 . . . . 103 . . . 6198 1 1141 . 1 1 103 103 TYR C C 13 178.683 0.2 . 1 . . . . 103 . . . 6198 1 1142 . 1 1 104 104 LEU N N 15 121.115 0.05 . 1 . . . . 104 . . . 6198 1 1143 . 1 1 104 104 LEU H H 1 8.950 0.05 . 1 . . . . 104 . . . 6198 1 1144 . 1 1 104 104 LEU CA C 13 56.553 0.2 . 1 . . . . 104 . . . 6198 1 1145 . 1 1 104 104 LEU HA H 1 3.678 0.05 . 1 . . . . 104 . . . 6198 1 1146 . 1 1 104 104 LEU CB C 13 40.588 0.2 . 1 . . . . 104 . . . 6198 1 1147 . 1 1 104 104 LEU HB2 H 1 1.855 0.05 . 2 . . . . 104 . . . 6198 1 1148 . 1 1 104 104 LEU HB3 H 1 1.357 0.05 . 2 . . . . 104 . . . 6198 1 1149 . 1 1 104 104 LEU CG C 13 25.724 0.2 . 1 . . . . 104 . . . 6198 1 1150 . 1 1 104 104 LEU HG H 1 1.945 0.05 . 1 . . . . 104 . . . 6198 1 1151 . 1 1 104 104 LEU HD11 H 1 0.757 0.05 . 2 . . . . 104 . . . 6198 1 1152 . 1 1 104 104 LEU HD12 H 1 0.757 0.05 . 2 . . . . 104 . . . 6198 1 1153 . 1 1 104 104 LEU HD13 H 1 0.757 0.05 . 2 . . . . 104 . . . 6198 1 1154 . 1 1 104 104 LEU HD21 H 1 0.671 0.05 . 2 . . . . 104 . . . 6198 1 1155 . 1 1 104 104 LEU HD22 H 1 0.671 0.05 . 2 . . . . 104 . . . 6198 1 1156 . 1 1 104 104 LEU HD23 H 1 0.671 0.05 . 2 . . . . 104 . . . 6198 1 1157 . 1 1 104 104 LEU CD1 C 13 21.595 0.2 . 1 . . . . 104 . . . 6198 1 1158 . 1 1 104 104 LEU CD2 C 13 24.623 0.2 . 1 . . . . 104 . . . 6198 1 1159 . 1 1 104 104 LEU C C 13 177.736 0.2 . 1 . . . . 104 . . . 6198 1 1160 . 1 1 105 105 SER N N 15 111.405 0.05 . 1 . . . . 105 . . . 6198 1 1161 . 1 1 105 105 SER H H 1 7.723 0.05 . 1 . . . . 105 . . . 6198 1 1162 . 1 1 105 105 SER CA C 13 57.930 0.2 . 1 . . . . 105 . . . 6198 1 1163 . 1 1 105 105 SER HA H 1 4.399 0.05 . 1 . . . . 105 . . . 6198 1 1164 . 1 1 105 105 SER CB C 13 63.160 0.2 . 1 . . . . 105 . . . 6198 1 1165 . 1 1 105 105 SER HB2 H 1 4.015 0.05 . 2 . . . . 105 . . . 6198 1 1166 . 1 1 105 105 SER HB3 H 1 3.919 0.05 . 2 . . . . 105 . . . 6198 1 1167 . 1 1 105 105 SER C C 13 174.468 0.2 . 1 . . . . 105 . . . 6198 1 1168 . 1 1 106 106 GLY N N 15 109.818 0.05 . 1 . . . . 106 . . . 6198 1 1169 . 1 1 106 106 GLY H H 1 7.563 0.05 . 1 . . . . 106 . . . 6198 1 1170 . 1 1 106 106 GLY CA C 13 45.162 0.2 . 1 . . . . 106 . . . 6198 1 1171 . 1 1 106 106 GLY HA2 H 1 4.009 0.05 . 2 . . . . 106 . . . 6198 1 1172 . 1 1 106 106 GLY HA3 H 1 3.783 0.05 . 2 . . . . 106 . . . 6198 1 1173 . 1 1 106 106 GLY C C 13 174.313 0.2 . 1 . . . . 106 . . . 6198 1 1174 . 1 1 107 107 GLN N N 15 117.096 0.05 . 1 . . . . 107 . . . 6198 1 1175 . 1 1 107 107 GLN H H 1 7.922 0.05 . 1 . . . . 107 . . . 6198 1 1176 . 1 1 107 107 GLN CA C 13 55.347 0.2 . 1 . . . . 107 . . . 6198 1 1177 . 1 1 107 107 GLN HA H 1 4.213 0.05 . 1 . . . . 107 . . . 6198 1 1178 . 1 1 107 107 GLN CB C 13 29.197 0.2 . 1 . . . . 107 . . . 6198 1 1179 . 1 1 107 107 GLN HB2 H 1 2.187 0.05 . 2 . . . . 107 . . . 6198 1 1180 . 1 1 107 107 GLN HB3 H 1 1.729 0.05 . 2 . . . . 107 . . . 6198 1 1181 . 1 1 107 107 GLN CG C 13 33.326 0.2 . 1 . . . . 107 . . . 6198 1 1182 . 1 1 107 107 GLN HG2 H 1 2.261 0.05 . 2 . . . . 107 . . . 6198 1 1183 . 1 1 107 107 GLN HG3 H 1 2.198 0.05 . 2 . . . . 107 . . . 6198 1 1184 . 1 1 107 107 GLN C C 13 175.000 0.2 . 1 . . . . 107 . . . 6198 1 1185 . 1 1 108 108 LEU N N 15 121.024 0.05 . 1 . . . . 108 . . . 6198 1 1186 . 1 1 108 108 LEU H H 1 7.493 0.05 . 1 . . . . 108 . . . 6198 1 1187 . 1 1 108 108 LEU CA C 13 53.695 0.2 . 1 . . . . 108 . . . 6198 1 1188 . 1 1 108 108 LEU HA H 1 4.508 0.05 . 1 . . . . 108 . . . 6198 1 1189 . 1 1 108 108 LEU CB C 13 42.240 0.2 . 1 . . . . 108 . . . 6198 1 1190 . 1 1 108 108 LEU HB2 H 1 1.688 0.05 . 2 . . . . 108 . . . 6198 1 1191 . 1 1 108 108 LEU HB3 H 1 1.294 0.05 . 2 . . . . 108 . . . 6198 1 1192 . 1 1 108 108 LEU CG C 13 26.444 0.2 . 1 . . . . 108 . . . 6198 1 1193 . 1 1 108 108 LEU HG H 1 1.416 0.05 . 1 . . . . 108 . . . 6198 1 1194 . 1 1 108 108 LEU HD11 H 1 0.923 0.05 . 2 . . . . 108 . . . 6198 1 1195 . 1 1 108 108 LEU HD12 H 1 0.923 0.05 . 2 . . . . 108 . . . 6198 1 1196 . 1 1 108 108 LEU HD13 H 1 0.923 0.05 . 2 . . . . 108 . . . 6198 1 1197 . 1 1 108 108 LEU HD21 H 1 0.877 0.05 . 2 . . . . 108 . . . 6198 1 1198 . 1 1 108 108 LEU HD22 H 1 0.877 0.05 . 2 . . . . 108 . . . 6198 1 1199 . 1 1 108 108 LEU HD23 H 1 0.877 0.05 . 2 . . . . 108 . . . 6198 1 1200 . 1 1 108 108 LEU CD1 C 13 23.797 0.2 . 1 . . . . 108 . . . 6198 1 1201 . 1 1 108 108 LEU CD2 C 13 25.173 0.2 . 1 . . . . 108 . . . 6198 1 1202 . 1 1 108 108 LEU C C 13 174.428 0.2 . 1 . . . . 108 . . . 6198 1 1203 . 1 1 109 109 LYS N N 15 125.114 0.05 . 1 . . . . 109 . . . 6198 1 1204 . 1 1 109 109 LYS H H 1 8.310 0.05 . 1 . . . . 109 . . . 6198 1 1205 . 1 1 109 109 LYS CA C 13 53.971 0.2 . 1 . . . . 109 . . . 6198 1 1206 . 1 1 109 109 LYS HA H 1 4.455 0.05 . 1 . . . . 109 . . . 6198 1 1207 . 1 1 109 109 LYS CB C 13 33.707 0.2 . 1 . . . . 109 . . . 6198 1 1208 . 1 1 109 109 LYS HB2 H 1 1.789 0.05 . 2 . . . . 109 . . . 6198 1 1209 . 1 1 109 109 LYS HB3 H 1 1.676 0.05 . 2 . . . . 109 . . . 6198 1 1210 . 1 1 109 109 LYS CG C 13 23.522 0.2 . 1 . . . . 109 . . . 6198 1 1211 . 1 1 109 109 LYS HG2 H 1 1.316 0.05 . 2 . . . . 109 . . . 6198 1 1212 . 1 1 109 109 LYS CD C 13 27.926 0.2 . 1 . . . . 109 . . . 6198 1 1213 . 1 1 109 109 LYS HD2 H 1 1.576 0.05 . 2 . . . . 109 . . . 6198 1 1214 . 1 1 109 109 LYS CE C 13 41.414 0.2 . 1 . . . . 109 . . . 6198 1 1215 . 1 1 109 109 LYS HE2 H 1 2.927 0.05 . 2 . . . . 109 . . . 6198 1 1216 . 1 1 109 109 LYS C C 13 174.782 0.2 . 1 . . . . 109 . . . 6198 1 1217 . 1 1 110 110 ASP N N 15 121.013 0.05 . 1 . . . . 110 . . . 6198 1 1218 . 1 1 110 110 ASP H H 1 8.454 0.05 . 1 . . . . 110 . . . 6198 1 1219 . 1 1 110 110 ASP CA C 13 54.076 0.2 . 1 . . . . 110 . . . 6198 1 1220 . 1 1 110 110 ASP HA H 1 4.650 0.05 . 1 . . . . 110 . . . 6198 1 1221 . 1 1 110 110 ASP CB C 13 41.414 0.2 . 1 . . . . 110 . . . 6198 1 1222 . 1 1 110 110 ASP HB2 H 1 2.661 0.05 . 2 . . . . 110 . . . 6198 1 1223 . 1 1 110 110 ASP C C 13 175.374 0.2 . 1 . . . . 110 . . . 6198 1 1224 . 1 1 111 111 SER N N 15 117.586 0.05 . 1 . . . . 111 . . . 6198 1 1225 . 1 1 111 111 SER H H 1 7.995 0.05 . 1 . . . . 111 . . . 6198 1 1226 . 1 1 111 111 SER CA C 13 57.379 0.2 . 1 . . . . 111 . . . 6198 1 1227 . 1 1 111 111 SER HA H 1 4.465 0.05 . 1 . . . . 111 . . . 6198 1 1228 . 1 1 111 111 SER CB C 13 63.880 0.2 . 1 . . . . 111 . . . 6198 1 1229 . 1 1 111 111 SER HB2 H 1 3.820 0.05 . 2 . . . . 111 . . . 6198 1 1230 . 1 1 111 111 SER HB3 H 1 3.777 0.05 . 2 . . . . 111 . . . 6198 1 1231 . 1 1 111 111 SER C C 13 175.260 0.2 . 1 . . . . 111 . . . 6198 1 1232 . 1 1 112 112 ASP N N 15 121.941 0.05 . 1 . . . . 112 . . . 6198 1 1233 . 1 1 112 112 ASP H H 1 8.291 0.05 . 1 . . . . 112 . . . 6198 1 1234 . 1 1 112 112 ASP CA C 13 53.695 0.2 . 1 . . . . 112 . . . 6198 1 1235 . 1 1 112 112 ASP HA H 1 4.562 0.05 . 1 . . . . 112 . . . 6198 1 1236 . 1 1 112 112 ASP CB C 13 40.313 0.2 . 1 . . . . 112 . . . 6198 1 1237 . 1 1 112 112 ASP HB2 H 1 2.612 0.05 . 2 . . . . 112 . . . 6198 1 1238 . 1 1 112 112 ASP HB3 H 1 2.513 0.05 . 2 . . . . 112 . . . 6198 1 1239 . 1 1 112 112 ASP C C 13 175.286 0.2 . 1 . . . . 112 . . . 6198 1 1240 . 1 1 113 113 TYR N N 15 120.878 0.05 . 1 . . . . 113 . . . 6198 1 1241 . 1 1 113 113 TYR H H 1 7.906 0.05 . 1 . . . . 113 . . . 6198 1 1242 . 1 1 113 113 TYR CA C 13 57.654 0.2 . 1 . . . . 113 . . . 6198 1 1243 . 1 1 113 113 TYR HA H 1 4.419 0.05 . 1 . . . . 113 . . . 6198 1 1244 . 1 1 113 113 TYR CB C 13 38.386 0.2 . 1 . . . . 113 . . . 6198 1 1245 . 1 1 113 113 TYR HB2 H 1 2.908 0.05 . 2 . . . . 113 . . . 6198 1 1246 . 1 1 113 113 TYR HD2 H 1 7.025 0.05 . 2 . . . . 113 . . . 6198 1 1247 . 1 1 113 113 TYR HE2 H 1 6.746 0.05 . 2 . . . . 113 . . . 6198 1 1248 . 1 1 113 113 TYR CD1 C 13 133.045 0.2 . 1 . . . . 113 . . . 6198 1 1249 . 1 1 113 113 TYR CE1 C 13 118.164 0.2 . 1 . . . . 113 . . . 6198 1 1250 . 1 1 113 113 TYR HE1 H 1 6.734 0.05 . 2 . . . . 113 . . . 6198 1 1251 . 1 1 113 113 TYR C C 13 174.660 0.2 . 1 . . . . 113 . . . 6198 1 1252 . 1 1 114 114 GLU N N 15 123.037 0.05 . 1 . . . . 114 . . . 6198 1 1253 . 1 1 114 114 GLU H H 1 8.018 0.05 . 1 . . . . 114 . . . 6198 1 1254 . 1 1 114 114 GLU CA C 13 55.347 0.2 . 1 . . . . 114 . . . 6198 1 1255 . 1 1 114 114 GLU HA H 1 4.195 0.05 . 1 . . . . 114 . . . 6198 1 1256 . 1 1 114 114 GLU CB C 13 29.853 0.2 . 1 . . . . 114 . . . 6198 1 1257 . 1 1 114 114 GLU HB2 H 1 1.876 0.05 . 2 . . . . 114 . . . 6198 1 1258 . 1 1 114 114 GLU HB3 H 1 1.806 0.05 . 2 . . . . 114 . . . 6198 1 1259 . 1 1 114 114 GLU CG C 13 35.633 0.2 . 1 . . . . 114 . . . 6198 1 1260 . 1 1 114 114 GLU HG2 H 1 2.110 0.05 . 2 . . . . 114 . . . 6198 1 1261 . 1 1 114 114 GLU C C 13 175.003 0.2 . 1 . . . . 114 . . . 6198 1 1262 . 1 1 115 115 VAL N N 15 120.710 0.05 . 1 . . . . 115 . . . 6198 1 1263 . 1 1 115 115 VAL H H 1 7.887 0.05 . 1 . . . . 115 . . . 6198 1 1264 . 1 1 115 115 VAL CA C 13 61.783 0.2 . 1 . . . . 115 . . . 6198 1 1265 . 1 1 115 115 VAL HA H 1 3.946 0.05 . 1 . . . . 115 . . . 6198 1 1266 . 1 1 115 115 VAL CB C 13 31.780 0.2 . 1 . . . . 115 . . . 6198 1 1267 . 1 1 115 115 VAL HB H 1 1.922 0.05 . 1 . . . . 115 . . . 6198 1 1268 . 1 1 115 115 VAL HG11 H 1 0.776 0.05 . 2 . . . . 115 . . . 6198 1 1269 . 1 1 115 115 VAL HG12 H 1 0.776 0.05 . 2 . . . . 115 . . . 6198 1 1270 . 1 1 115 115 VAL HG13 H 1 0.776 0.05 . 2 . . . . 115 . . . 6198 1 1271 . 1 1 115 115 VAL HG21 H 1 0.811 0.05 . 2 . . . . 115 . . . 6198 1 1272 . 1 1 115 115 VAL HG22 H 1 0.811 0.05 . 2 . . . . 115 . . . 6198 1 1273 . 1 1 115 115 VAL HG23 H 1 0.811 0.05 . 2 . . . . 115 . . . 6198 1 1274 . 1 1 115 115 VAL CG1 C 13 20.494 0.2 . 1 . . . . 115 . . . 6198 1 1275 . 1 1 115 115 VAL CG2 C 13 20.494 0.2 . 1 . . . . 115 . . . 6198 1 1276 . 1 1 115 115 VAL C C 13 173.170 0.2 . 1 . . . . 115 . . . 6198 1 1277 . 1 1 116 116 HIS N N 15 121.941 0.05 . 1 . . . . 116 . . . 6198 1 1278 . 1 1 116 116 HIS H H 1 8.300 0.05 . 1 . . . . 116 . . . 6198 1 1279 . 1 1 116 116 HIS C C 13 173.056 0.2 . 1 . . . . 116 . . . 6198 1 1280 . 1 1 117 117 ASP N N 15 125.495 0.05 . 1 . . . . 117 . . . 6198 1 1281 . 1 1 117 117 ASP H H 1 8.018 0.05 . 1 . . . . 117 . . . 6198 1 stop_ save_