data_19008 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19008 _Entry.Title ; Chemical Shift Assignments for SinR from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-05 _Entry.Accession_date 2013-02-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sean Stowe . D. . 19008 2 Andrew Olson . L. . 19008 3 John Cavanagh . . . 19008 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Cavanagh Group, NCSU' . 19008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 19008 '15N chemical shifts' 117 19008 '1H chemical shifts' 602 19008 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-05 2013-02-05 update BMRB 'update entry citation' 19008 1 . . 2013-03-13 2013-02-05 original author 'original release' 19008 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19008 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23475644 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments and secondary structure prediction of the master biofilm regulator, SinR, from Bacillus subtilis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 155 _Citation.Page_last 158 _Citation.Year 2014 _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 Sean Stowe . D. . 19008 1 2 Andrew Olson . L. . 19008 1 3 Richard Losick . . . 19008 1 4 John Cavanagh . . . 19008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19008 _Assembly.ID 1 _Assembly.Name SinR_FL _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SinR_FL_1 1 $SinR_FL A . yes native no no . . . 19008 1 2 SinR_FL_2 1 $SinR_FL B . yes native no no . . . 19008 1 3 SinR_FL_3 1 $SinR_FL C . yes native no no . . . 19008 1 4 SinR_FL_4 1 $SinR_FL D . yes native no no . . . 19008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SinR_FL _Entity.Sf_category entity _Entity.Sf_framecode SinR_FL _Entity.Entry_ID 19008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SinR_FL _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 ; MIGQRIKQYRKEKGYSLSEL AEKAGVAKSYLSSIERNLQT NPSIQFLEKVSAVLDVSVHT LLDEKHETEYDGQLDSEWEK LVRDAMTSGVSKKQFREFLD YQKWRKSQKEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1B0N . "Sinr ProteinSINI PROTEIN COMPLEX" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 2 no PDB 3QQ6 . "The N-Terminal Dna Binding Domain Of Sinr From Bacillus Subtilis" . . . . . 62.16 78 100.00 100.00 3.14e-40 . . . . 19008 1 3 no PDB 3ZKC . "Crystal Structure Of The Master Regulator For Biofilm Formation Sinr In Complex With Dna." . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 4 no DBJ BAA12542 . "SinR [Bacillus subtilis]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 5 no DBJ BAI85980 . "transcriptional regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 113 99.10 100.00 2.07e-72 . . . . 19008 1 6 no DBJ BAM52946 . "transcriptional regulator [Synechocystis sp. PCC 6803]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 7 no DBJ BAM58520 . "transcriptional regulator [Bacillus subtilis BEST7003]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 8 no DBJ GAK78309 . "transcriptional regulator for post-exponential-phase response [Bacillus subtilis Miyagi-4]" . . . . . 100.00 113 99.10 100.00 2.07e-72 . . . . 19008 1 9 no EMBL CAB14392 . "master regulator of biofilm formation [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 10 no EMBL CBI43490 . "transcriptional regulator for post-exponential-phase response [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 113 97.30 100.00 2.36e-71 . . . . 19008 1 11 no EMBL CCF05840 . "HTH-type transcriptional regulator slrR [Bacillus methylotrophicus CAU B946]" . . . . . 100.00 113 98.20 100.00 3.90e-72 . . . . 19008 1 12 no EMBL CCG50467 . "HTH-type transcriptional regulator slrR [Bacillus methylotrophicus YAU B9601-Y2]" . . . . . 100.00 113 98.20 100.00 3.90e-72 . . . . 19008 1 13 no EMBL CCP22253 . "HTH-type transcriptional regulator sinR [Bacillus methylotrophicus UCMB5036]" . . . . . 100.00 113 98.20 100.00 3.90e-72 . . . . 19008 1 14 no GB AAA22757 . "Sin regulatory protein (ttg start codon) [Bacillus subtilis]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 15 no GB ABS74654 . "SinR [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 100.00 113 98.20 100.00 3.90e-72 . . . . 19008 1 16 no GB ADM38475 . "transcriptional regulator for post-exponential-phase response [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 17 no GB ADP33055 . "transcriptional regulator SinR [Bacillus atrophaeus 1942]" . . . . . 100.00 111 98.20 100.00 5.73e-72 . . . . 19008 1 18 no GB ADV93205 . "transcriptional regulator SinR [Bacillus subtilis BSn5]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 19 no REF NP_390341 . "XRE family transcriptional regulator [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 20 no REF WP_003226345 . "transcriptional regulator [Bacillus subtilis]" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 1 21 no REF WP_003230185 . "MULTISPECIES: transcriptional regulator [Bacillales]" . . . . . 100.00 113 99.10 100.00 2.07e-72 . . . . 19008 1 22 no REF WP_010789193 . "MULTISPECIES: transcriptional regulator [Bacillus]" . . . . . 100.00 113 98.20 100.00 3.90e-72 . . . . 19008 1 23 no REF WP_013352861 . "MULTISPECIES: transcriptional regulator [Bacillus subtilis group]" . . . . . 100.00 113 97.30 100.00 2.36e-71 . . . . 19008 1 24 no SP P06533 . "RecName: Full=HTH-type transcriptional regulator SinR" . . . . . 100.00 111 100.00 100.00 5.73e-73 . . . . 19008 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 . 19008 1 2 2 ILE . 19008 1 3 3 GLY . 19008 1 4 4 GLN . 19008 1 5 5 ARG . 19008 1 6 6 ILE . 19008 1 7 7 LYS . 19008 1 8 8 GLN . 19008 1 9 9 TYR . 19008 1 10 10 ARG . 19008 1 11 11 LYS . 19008 1 12 12 GLU . 19008 1 13 13 LYS . 19008 1 14 14 GLY . 19008 1 15 15 TYR . 19008 1 16 16 SER . 19008 1 17 17 LEU . 19008 1 18 18 SER . 19008 1 19 19 GLU . 19008 1 20 20 LEU . 19008 1 21 21 ALA . 19008 1 22 22 GLU . 19008 1 23 23 LYS . 19008 1 24 24 ALA . 19008 1 25 25 GLY . 19008 1 26 26 VAL . 19008 1 27 27 ALA . 19008 1 28 28 LYS . 19008 1 29 29 SER . 19008 1 30 30 TYR . 19008 1 31 31 LEU . 19008 1 32 32 SER . 19008 1 33 33 SER . 19008 1 34 34 ILE . 19008 1 35 35 GLU . 19008 1 36 36 ARG . 19008 1 37 37 ASN . 19008 1 38 38 LEU . 19008 1 39 39 GLN . 19008 1 40 40 THR . 19008 1 41 41 ASN . 19008 1 42 42 PRO . 19008 1 43 43 SER . 19008 1 44 44 ILE . 19008 1 45 45 GLN . 19008 1 46 46 PHE . 19008 1 47 47 LEU . 19008 1 48 48 GLU . 19008 1 49 49 LYS . 19008 1 50 50 VAL . 19008 1 51 51 SER . 19008 1 52 52 ALA . 19008 1 53 53 VAL . 19008 1 54 54 LEU . 19008 1 55 55 ASP . 19008 1 56 56 VAL . 19008 1 57 57 SER . 19008 1 58 58 VAL . 19008 1 59 59 HIS . 19008 1 60 60 THR . 19008 1 61 61 LEU . 19008 1 62 62 LEU . 19008 1 63 63 ASP . 19008 1 64 64 GLU . 19008 1 65 65 LYS . 19008 1 66 66 HIS . 19008 1 67 67 GLU . 19008 1 68 68 THR . 19008 1 69 69 GLU . 19008 1 70 70 TYR . 19008 1 71 71 ASP . 19008 1 72 72 GLY . 19008 1 73 73 GLN . 19008 1 74 74 LEU . 19008 1 75 75 ASP . 19008 1 76 76 SER . 19008 1 77 77 GLU . 19008 1 78 78 TRP . 19008 1 79 79 GLU . 19008 1 80 80 LYS . 19008 1 81 81 LEU . 19008 1 82 82 VAL . 19008 1 83 83 ARG . 19008 1 84 84 ASP . 19008 1 85 85 ALA . 19008 1 86 86 MET . 19008 1 87 87 THR . 19008 1 88 88 SER . 19008 1 89 89 GLY . 19008 1 90 90 VAL . 19008 1 91 91 SER . 19008 1 92 92 LYS . 19008 1 93 93 LYS . 19008 1 94 94 GLN . 19008 1 95 95 PHE . 19008 1 96 96 ARG . 19008 1 97 97 GLU . 19008 1 98 98 PHE . 19008 1 99 99 LEU . 19008 1 100 100 ASP . 19008 1 101 101 TYR . 19008 1 102 102 GLN . 19008 1 103 103 LYS . 19008 1 104 104 TRP . 19008 1 105 105 ARG . 19008 1 106 106 LYS . 19008 1 107 107 SER . 19008 1 108 108 GLN . 19008 1 109 109 LYS . 19008 1 110 110 GLU . 19008 1 111 111 GLU . 19008 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 19008 1 . ILE 2 2 19008 1 . GLY 3 3 19008 1 . GLN 4 4 19008 1 . ARG 5 5 19008 1 . ILE 6 6 19008 1 . LYS 7 7 19008 1 . GLN 8 8 19008 1 . TYR 9 9 19008 1 . ARG 10 10 19008 1 . LYS 11 11 19008 1 . GLU 12 12 19008 1 . LYS 13 13 19008 1 . GLY 14 14 19008 1 . TYR 15 15 19008 1 . SER 16 16 19008 1 . LEU 17 17 19008 1 . SER 18 18 19008 1 . GLU 19 19 19008 1 . LEU 20 20 19008 1 . ALA 21 21 19008 1 . GLU 22 22 19008 1 . LYS 23 23 19008 1 . ALA 24 24 19008 1 . GLY 25 25 19008 1 . VAL 26 26 19008 1 . ALA 27 27 19008 1 . LYS 28 28 19008 1 . SER 29 29 19008 1 . TYR 30 30 19008 1 . LEU 31 31 19008 1 . SER 32 32 19008 1 . SER 33 33 19008 1 . ILE 34 34 19008 1 . GLU 35 35 19008 1 . ARG 36 36 19008 1 . ASN 37 37 19008 1 . LEU 38 38 19008 1 . GLN 39 39 19008 1 . THR 40 40 19008 1 . ASN 41 41 19008 1 . PRO 42 42 19008 1 . SER 43 43 19008 1 . ILE 44 44 19008 1 . GLN 45 45 19008 1 . PHE 46 46 19008 1 . LEU 47 47 19008 1 . GLU 48 48 19008 1 . LYS 49 49 19008 1 . VAL 50 50 19008 1 . SER 51 51 19008 1 . ALA 52 52 19008 1 . VAL 53 53 19008 1 . LEU 54 54 19008 1 . ASP 55 55 19008 1 . VAL 56 56 19008 1 . SER 57 57 19008 1 . VAL 58 58 19008 1 . HIS 59 59 19008 1 . THR 60 60 19008 1 . LEU 61 61 19008 1 . LEU 62 62 19008 1 . ASP 63 63 19008 1 . GLU 64 64 19008 1 . LYS 65 65 19008 1 . HIS 66 66 19008 1 . GLU 67 67 19008 1 . THR 68 68 19008 1 . GLU 69 69 19008 1 . TYR 70 70 19008 1 . ASP 71 71 19008 1 . GLY 72 72 19008 1 . GLN 73 73 19008 1 . LEU 74 74 19008 1 . ASP 75 75 19008 1 . SER 76 76 19008 1 . GLU 77 77 19008 1 . TRP 78 78 19008 1 . GLU 79 79 19008 1 . LYS 80 80 19008 1 . LEU 81 81 19008 1 . VAL 82 82 19008 1 . ARG 83 83 19008 1 . ASP 84 84 19008 1 . ALA 85 85 19008 1 . MET 86 86 19008 1 . THR 87 87 19008 1 . SER 88 88 19008 1 . GLY 89 89 19008 1 . VAL 90 90 19008 1 . SER 91 91 19008 1 . LYS 92 92 19008 1 . LYS 93 93 19008 1 . GLN 94 94 19008 1 . PHE 95 95 19008 1 . ARG 96 96 19008 1 . GLU 97 97 19008 1 . PHE 98 98 19008 1 . LEU 99 99 19008 1 . ASP 100 100 19008 1 . TYR 101 101 19008 1 . GLN 102 102 19008 1 . LYS 103 103 19008 1 . TRP 104 104 19008 1 . ARG 105 105 19008 1 . LYS 106 106 19008 1 . SER 107 107 19008 1 . GLN 108 108 19008 1 . LYS 109 109 19008 1 . GLU 110 110 19008 1 . GLU 111 111 19008 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 19008 _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 $SinR_FL . 1423 organism . 'Bacillus subtilis' Firmicutes . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 19008 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 19008 _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 $SinR_FL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 19008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19008 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SinR_FL '[U-98% 13C; U-98% 15N]' . . 1 $SinR_FL . . 450 . . uM . . . . 19008 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19008 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19008 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19008 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19008 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19008 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19008 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SinR_FL '[U-98% 13C; U-98% 15N]' . . 1 $SinR_FL . . 450 . . uM . . . . 19008 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19008 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19008 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19008 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19008 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19008 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 220 . mM 19008 1 pH 6.0 . pH 19008 1 pressure 1 . atm 19008 1 temperature 310 . K 19008 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19008 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19008 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19008 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19008 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19008 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19008 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19008 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19008 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19008 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19008 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19008 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19008 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19008 _Software.ID 5 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19008 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19008 5 'peak picking' 19008 5 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 19008 _Software.ID 6 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Wang, Bahrami, Assadi, and Markley' . . 19008 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19008 6 'data analysis' 19008 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19008 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19008 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19008 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19008 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19008 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19008 1 2 spectrometer_2 Varian INOVA . 600 . . . 19008 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 19008 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 12 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19008 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19008 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19008 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19008 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19008 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19008 1 2 '2D 1H-13C HSQC' . . . 19008 1 3 '3D CBCA(CO)NH' . . . 19008 1 4 '3D C(CO)NH' . . . 19008 1 5 '3D HNCO' . . . 19008 1 6 '2D 1H-13C HSQC aromatic' . . . 19008 1 7 '3D HNCACB' . . . 19008 1 8 '3D HBHA(CO)NH' . . . 19008 1 9 '3D HN(CA)CO' . . . 19008 1 10 '3D HCCH-TOCSY' . . . 19008 1 11 '3D H(CCO)NH' . . . 19008 1 12 '2D 1H-15N TROSY-HSQC' . . . 19008 1 13 '3D 1H-15N TOCSY' . . . 19008 1 14 '3D 1H-13C NOESY aromatic' . . . 19008 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE HA H 1 4.213 0.0050 . 1 . . . . 2 ILE HA . 19008 1 2 . 1 1 2 2 ILE HB H 1 2.097 0.0050 . 1 . . . . 2 ILE HB . 19008 1 3 . 1 1 2 2 ILE HG12 H 1 1.822 0.0050 . 1 . . . . 2 ILE HG12 . 19008 1 4 . 1 1 2 2 ILE HG21 H 1 1.095 0.0050 . 1 . . . . 2 ILE HG21 . 19008 1 5 . 1 1 2 2 ILE HG22 H 1 1.095 0.0050 . 1 . . . . 2 ILE HG21 . 19008 1 6 . 1 1 2 2 ILE HG23 H 1 1.095 0.0050 . 1 . . . . 2 ILE HG21 . 19008 1 7 . 1 1 2 2 ILE HD11 H 1 1.108 0.0050 . 1 . . . . 2 ILE HD11 . 19008 1 8 . 1 1 2 2 ILE HD12 H 1 1.108 0.0050 . 1 . . . . 2 ILE HD11 . 19008 1 9 . 1 1 2 2 ILE HD13 H 1 1.108 0.0050 . 1 . . . . 2 ILE HD11 . 19008 1 10 . 1 1 2 2 ILE C C 13 177.052 0.0500 . 1 . . . . 2 ILE C . 19008 1 11 . 1 1 2 2 ILE CA C 13 65.684 0.0500 . 1 . . . . 2 ILE CA . 19008 1 12 . 1 1 2 2 ILE CB C 13 39.783 0.0500 . 1 . . . . 2 ILE CB . 19008 1 13 . 1 1 2 2 ILE CG1 C 13 30.64 0.0500 . 1 . . . . 2 ILE CG1 . 19008 1 14 . 1 1 2 2 ILE CG2 C 13 18.832 0.0500 . 1 . . . . 2 ILE CG2 . 19008 1 15 . 1 1 2 2 ILE CD1 C 13 16.163 0.0500 . 1 . . . . 2 ILE CD1 . 19008 1 16 . 1 1 3 3 GLY H H 1 9.033 0.0050 . 1 . . . . 3 GLY H . 19008 1 17 . 1 1 3 3 GLY HA2 H 1 4.451 0.0050 . 1 . . . . 3 GLY HA2 . 19008 1 18 . 1 1 3 3 GLY C C 13 175.152 0.0500 . 1 . . . . 3 GLY C . 19008 1 19 . 1 1 3 3 GLY CA C 13 50.332 0.0500 . 1 . . . . 3 GLY CA . 19008 1 20 . 1 1 3 3 GLY N N 15 110.015 0.0500 . 1 . . . . 3 GLY N . 19008 1 21 . 1 1 4 4 GLN H H 1 7.604 0.0050 . 1 . . . . 4 GLN H . 19008 1 22 . 1 1 4 4 GLN HA H 1 4.26 0.0050 . 1 . . . . 4 GLN HA . 19008 1 23 . 1 1 4 4 GLN HB2 H 1 2.372 0.0050 . 1 . . . . 4 GLN HB2 . 19008 1 24 . 1 1 4 4 GLN HG2 H 1 2.645 0.0050 . 1 . . . . 4 GLN HG2 . 19008 1 25 . 1 1 4 4 GLN C C 13 178.466 0.0500 . 1 . . . . 4 GLN C . 19008 1 26 . 1 1 4 4 GLN CA C 13 59.957 0.0500 . 1 . . . . 4 GLN CA . 19008 1 27 . 1 1 4 4 GLN CB C 13 29.636 0.0500 . 1 . . . . 4 GLN CB . 19008 1 28 . 1 1 4 4 GLN CG C 13 35.462 0.0500 . 1 . . . . 4 GLN CG . 19008 1 29 . 1 1 4 4 GLN N N 15 119.099 0.0500 . 1 . . . . 4 GLN N . 19008 1 30 . 1 1 5 5 ARG H H 1 7.769 0.0050 . 1 . . . . 5 ARG H . 19008 1 31 . 1 1 5 5 ARG HA H 1 4.252 0.0050 . 1 . . . . 5 ARG HA . 19008 1 32 . 1 1 5 5 ARG HB2 H 1 2.358 0.0050 . 1 . . . . 5 ARG HB2 . 19008 1 33 . 1 1 5 5 ARG HG2 H 1 2.053 0.0050 . 1 . . . . 5 ARG HG2 . 19008 1 34 . 1 1 5 5 ARG HD2 H 1 3.494 0.0050 . 1 . . . . 5 ARG HD2 . 19008 1 35 . 1 1 5 5 ARG C C 13 177.728 0.0500 . 1 . . . . 5 ARG C . 19008 1 36 . 1 1 5 5 ARG CA C 13 60.313 0.0500 . 1 . . . . 5 ARG CA . 19008 1 37 . 1 1 5 5 ARG CB C 13 31.566 0.0500 . 1 . . . . 5 ARG CB . 19008 1 38 . 1 1 5 5 ARG CG C 13 29.422 0.0500 . 1 . . . . 5 ARG CG . 19008 1 39 . 1 1 5 5 ARG CD C 13 44.651 0.0500 . 1 . . . . 5 ARG CD . 19008 1 40 . 1 1 5 5 ARG N N 15 120.339 0.0500 . 1 . . . . 5 ARG N . 19008 1 41 . 1 1 6 6 ILE H H 1 8.399 0.0050 . 1 . . . . 6 ILE H . 19008 1 42 . 1 1 6 6 ILE HA H 1 3.605 0.0050 . 1 . . . . 6 ILE HA . 19008 1 43 . 1 1 6 6 ILE HB H 1 2.072 0.0050 . 1 . . . . 6 ILE HB . 19008 1 44 . 1 1 6 6 ILE HG12 H 1 2.064 0.0050 . 1 . . . . 6 ILE HG12 . 19008 1 45 . 1 1 6 6 ILE HG21 H 1 1.124 0.0050 . 1 . . . . 6 ILE HG21 . 19008 1 46 . 1 1 6 6 ILE HG22 H 1 1.124 0.0050 . 1 . . . . 6 ILE HG21 . 19008 1 47 . 1 1 6 6 ILE HG23 H 1 1.124 0.0050 . 1 . . . . 6 ILE HG21 . 19008 1 48 . 1 1 6 6 ILE HD11 H 1 1.04 0.0050 . 1 . . . . 6 ILE HD11 . 19008 1 49 . 1 1 6 6 ILE HD12 H 1 1.04 0.0050 . 1 . . . . 6 ILE HD11 . 19008 1 50 . 1 1 6 6 ILE HD13 H 1 1.04 0.0050 . 1 . . . . 6 ILE HD11 . 19008 1 51 . 1 1 6 6 ILE C C 13 176.259 0.0500 . 1 . . . . 6 ILE C . 19008 1 52 . 1 1 6 6 ILE CA C 13 68.153 0.0500 . 1 . . . . 6 ILE CA . 19008 1 53 . 1 1 6 6 ILE CB C 13 39.239 0.0500 . 1 . . . . 6 ILE CB . 19008 1 54 . 1 1 6 6 ILE CG1 C 13 31.734 0.0500 . 1 . . . . 6 ILE CG1 . 19008 1 55 . 1 1 6 6 ILE CG2 C 13 17.891 0.0500 . 1 . . . . 6 ILE CG2 . 19008 1 56 . 1 1 6 6 ILE CD1 C 13 15.289 0.0500 . 1 . . . . 6 ILE CD1 . 19008 1 57 . 1 1 6 6 ILE N N 15 119.469 0.0500 . 1 . . . . 6 ILE N . 19008 1 58 . 1 1 7 7 LYS H H 1 7.965 0.0050 . 1 . . . . 7 LYS H . 19008 1 59 . 1 1 7 7 LYS HA H 1 4.095 0.0050 . 1 . . . . 7 LYS HA . 19008 1 60 . 1 1 7 7 LYS HB2 H 1 1.981 0.0050 . 1 . . . . 7 LYS HB2 . 19008 1 61 . 1 1 7 7 LYS HG2 H 1 1.64 0.0050 . 1 . . . . 7 LYS HG2 . 19008 1 62 . 1 1 7 7 LYS HD2 H 1 1.84 0.0050 . 1 . . . . 7 LYS HD2 . 19008 1 63 . 1 1 7 7 LYS HE2 H 1 3.08 0.0050 . 1 . . . . 7 LYS HE2 . 19008 1 64 . 1 1 7 7 LYS C C 13 176.671 0.0500 . 1 . . . . 7 LYS C . 19008 1 65 . 1 1 7 7 LYS CA C 13 61.737 0.0500 . 1 . . . . 7 LYS CA . 19008 1 66 . 1 1 7 7 LYS CB C 13 34.412 0.0500 . 1 . . . . 7 LYS CB . 19008 1 67 . 1 1 7 7 LYS CG C 13 26.502 0.0500 . 1 . . . . 7 LYS CG . 19008 1 68 . 1 1 7 7 LYS CD C 13 31.483 0.0500 . 1 . . . . 7 LYS CD . 19008 1 69 . 1 1 7 7 LYS CE C 13 43.366 0.0500 . 1 . . . . 7 LYS CE . 19008 1 70 . 1 1 7 7 LYS N N 15 119.787 0.0500 . 1 . . . . 7 LYS N . 19008 1 71 . 1 1 8 8 GLN H H 1 8.052 0.0050 . 1 . . . . 8 GLN H . 19008 1 72 . 1 1 8 8 GLN HA H 1 4.048 0.0050 . 1 . . . . 8 GLN HA . 19008 1 73 . 1 1 8 8 GLN HB2 H 1 2.259 0.0050 . 1 . . . . 8 GLN HB2 . 19008 1 74 . 1 1 8 8 GLN HG2 H 1 2.351 0.0050 . 1 . . . . 8 GLN HG2 . 19008 1 75 . 1 1 8 8 GLN C C 13 179.018 0.0500 . 1 . . . . 8 GLN C . 19008 1 76 . 1 1 8 8 GLN CA C 13 60.336 0.0500 . 1 . . . . 8 GLN CA . 19008 1 77 . 1 1 8 8 GLN CB C 13 29.357 0.0500 . 1 . . . . 8 GLN CB . 19008 1 78 . 1 1 8 8 GLN CG C 13 33.999 0.0500 . 1 . . . . 8 GLN CG . 19008 1 79 . 1 1 8 8 GLN N N 15 118.494 0.0500 . 1 . . . . 8 GLN N . 19008 1 80 . 1 1 9 9 TYR H H 1 8.413 0.0050 . 1 . . . . 9 TYR H . 19008 1 81 . 1 1 9 9 TYR HA H 1 4.469 0.0050 . 1 . . . . 9 TYR HA . 19008 1 82 . 1 1 9 9 TYR HB2 H 1 3.204 0.0050 . 1 . . . . 9 TYR HB2 . 19008 1 83 . 1 1 9 9 TYR HD1 H 1 7.298 0.0050 . 1 . . . . 9 TYR HD1 . 19008 1 84 . 1 1 9 9 TYR HE1 H 1 6.822 0.0050 . 1 . . . . 9 TYR HE1 . 19008 1 85 . 1 1 9 9 TYR C C 13 178.229 0.0500 . 1 . . . . 9 TYR C . 19008 1 86 . 1 1 9 9 TYR CA C 13 63.479 0.0500 . 1 . . . . 9 TYR CA . 19008 1 87 . 1 1 9 9 TYR CB C 13 39.562 0.0500 . 1 . . . . 9 TYR CB . 19008 1 88 . 1 1 9 9 TYR CD1 C 13 134.398 0.0500 . 1 . . . . 9 TYR CD1 . 19008 1 89 . 1 1 9 9 TYR CE1 C 13 119.336 0.0500 . 1 . . . . 9 TYR CE1 . 19008 1 90 . 1 1 9 9 TYR N N 15 118.598 0.0500 . 1 . . . . 9 TYR N . 19008 1 91 . 1 1 10 10 ARG H H 1 9.324 0.0050 . 1 . . . . 10 ARG H . 19008 1 92 . 1 1 10 10 ARG HA H 1 4.139 0.0050 . 1 . . . . 10 ARG HA . 19008 1 93 . 1 1 10 10 ARG HB2 H 1 2.373 0.0050 . 1 . . . . 10 ARG HB2 . 19008 1 94 . 1 1 10 10 ARG HG2 H 1 1.936 0.0050 . 1 . . . . 10 ARG HG2 . 19008 1 95 . 1 1 10 10 ARG HD2 H 1 3.09 0.0050 . 1 . . . . 10 ARG HD2 . 19008 1 96 . 1 1 10 10 ARG C C 13 178.239 0.0500 . 1 . . . . 10 ARG C . 19008 1 97 . 1 1 10 10 ARG CA C 13 62.224 0.0500 . 1 . . . . 10 ARG CA . 19008 1 98 . 1 1 10 10 ARG CB C 13 30.518 0.0500 . 1 . . . . 10 ARG CB . 19008 1 99 . 1 1 10 10 ARG CG C 13 30.392 0.0500 . 1 . . . . 10 ARG CG . 19008 1 100 . 1 1 10 10 ARG CD C 13 43.577 0.0500 . 1 . . . . 10 ARG CD . 19008 1 101 . 1 1 10 10 ARG N N 15 122.661 0.0500 . 1 . . . . 10 ARG N . 19008 1 102 . 1 1 11 11 LYS H H 1 8.468 0.0050 . 1 . . . . 11 LYS H . 19008 1 103 . 1 1 11 11 LYS HA H 1 4.251 0.0050 . 1 . . . . 11 LYS HA . 19008 1 104 . 1 1 11 11 LYS HB2 H 1 2.052 0.0050 . 1 . . . . 11 LYS HB2 . 19008 1 105 . 1 1 11 11 LYS HG2 H 1 1.864 0.0050 . 1 . . . . 11 LYS HG2 . 19008 1 106 . 1 1 11 11 LYS HD2 H 1 1.855 0.0050 . 1 . . . . 11 LYS HD2 . 19008 1 107 . 1 1 11 11 LYS HE2 H 1 3.1 0.0050 . 1 . . . . 11 LYS HE2 . 19008 1 108 . 1 1 11 11 LYS C C 13 180.393 0.0500 . 1 . . . . 11 LYS C . 19008 1 109 . 1 1 11 11 LYS CA C 13 60.831 0.0500 . 1 . . . . 11 LYS CA . 19008 1 110 . 1 1 11 11 LYS CB C 13 32.831 0.0500 . 1 . . . . 11 LYS CB . 19008 1 111 . 1 1 11 11 LYS CG C 13 27.083 0.0500 . 1 . . . . 11 LYS CG . 19008 1 112 . 1 1 11 11 LYS CD C 13 30.541 0.0500 . 1 . . . . 11 LYS CD . 19008 1 113 . 1 1 11 11 LYS CE C 13 43.053 0.0500 . 1 . . . . 11 LYS CE . 19008 1 114 . 1 1 11 11 LYS N N 15 120.55 0.0500 . 1 . . . . 11 LYS N . 19008 1 115 . 1 1 12 12 GLU H H 1 8.177 0.0050 . 1 . . . . 12 GLU H . 19008 1 116 . 1 1 12 12 GLU HA H 1 4.143 0.0050 . 1 . . . . 12 GLU HA . 19008 1 117 . 1 1 12 12 GLU HB2 H 1 2.313 0.0050 . 1 . . . . 12 GLU HB2 . 19008 1 118 . 1 1 12 12 GLU HG2 H 1 2.601 0.0050 . 1 . . . . 12 GLU HG2 . 19008 1 119 . 1 1 12 12 GLU C C 13 178.342 0.0500 . 1 . . . . 12 GLU C . 19008 1 120 . 1 1 12 12 GLU CA C 13 60.655 0.0500 . 1 . . . . 12 GLU CA . 19008 1 121 . 1 1 12 12 GLU CB C 13 30.8 0.0500 . 1 . . . . 12 GLU CB . 19008 1 122 . 1 1 12 12 GLU CG C 13 37.593 0.0500 . 1 . . . . 12 GLU CG . 19008 1 123 . 1 1 12 12 GLU N N 15 121.289 0.0500 . 1 . . . . 12 GLU N . 19008 1 124 . 1 1 13 13 LYS H H 1 7.573 0.0050 . 1 . . . . 13 LYS H . 19008 1 125 . 1 1 13 13 LYS HA H 1 4.255 0.0050 . 1 . . . . 13 LYS HA . 19008 1 126 . 1 1 13 13 LYS HB2 H 1 1.75 0.0050 . 1 . . . . 13 LYS HB2 . 19008 1 127 . 1 1 13 13 LYS HG2 H 1 1.717 0.0050 . 1 . . . . 13 LYS HG2 . 19008 1 128 . 1 1 13 13 LYS HD2 H 1 2.003 0.0050 . 1 . . . . 13 LYS HD2 . 19008 1 129 . 1 1 13 13 LYS HE2 H 1 3.183 0.0050 . 1 . . . . 13 LYS HE2 . 19008 1 130 . 1 1 13 13 LYS C C 13 176.225 0.0500 . 1 . . . . 13 LYS C . 19008 1 131 . 1 1 13 13 LYS CA C 13 56.83 0.0500 . 1 . . . . 13 LYS CA . 19008 1 132 . 1 1 13 13 LYS CB C 13 34.155 0.0500 . 1 . . . . 13 LYS CB . 19008 1 133 . 1 1 13 13 LYS CG C 13 26.754 0.0500 . 1 . . . . 13 LYS CG . 19008 1 134 . 1 1 13 13 LYS CD C 13 29.715 0.0500 . 1 . . . . 13 LYS CD . 19008 1 135 . 1 1 13 13 LYS CE C 13 43.318 0.0500 . 1 . . . . 13 LYS CE . 19008 1 136 . 1 1 13 13 LYS N N 15 116.518 0.0500 . 1 . . . . 13 LYS N . 19008 1 137 . 1 1 14 14 GLY H H 1 7.856 0.0050 . 1 . . . . 14 GLY H . 19008 1 138 . 1 1 14 14 GLY HA2 H 1 4.127 0.0050 . 1 . . . . 14 GLY HA2 . 19008 1 139 . 1 1 14 14 GLY C C 13 174.363 0.0500 . 1 . . . . 14 GLY C . 19008 1 140 . 1 1 14 14 GLY CA C 13 46.961 0.0500 . 1 . . . . 14 GLY CA . 19008 1 141 . 1 1 14 14 GLY N N 15 107.631 0.0500 . 1 . . . . 14 GLY N . 19008 1 142 . 1 1 15 15 TYR H H 1 7.573 0.0050 . 1 . . . . 15 TYR H . 19008 1 143 . 1 1 15 15 TYR HA H 1 5.363 0.0050 . 1 . . . . 15 TYR HA . 19008 1 144 . 1 1 15 15 TYR HB2 H 1 3.366 0.0050 . 1 . . . . 15 TYR HB2 . 19008 1 145 . 1 1 15 15 TYR HD1 H 1 6.993 0.0050 . 1 . . . . 15 TYR HD1 . 19008 1 146 . 1 1 15 15 TYR HE1 H 1 6.885 0.0050 . 1 . . . . 15 TYR HE1 . 19008 1 147 . 1 1 15 15 TYR C C 13 177.026 0.0500 . 1 . . . . 15 TYR C . 19008 1 148 . 1 1 15 15 TYR CA C 13 56.235 0.0500 . 1 . . . . 15 TYR CA . 19008 1 149 . 1 1 15 15 TYR CB C 13 41.64 0.0500 . 1 . . . . 15 TYR CB . 19008 1 150 . 1 1 15 15 TYR CD1 C 13 132.697 0.0500 . 1 . . . . 15 TYR CD1 . 19008 1 151 . 1 1 15 15 TYR CE1 C 13 121.28 0.0500 . 1 . . . . 15 TYR CE1 . 19008 1 152 . 1 1 15 15 TYR N N 15 118.44 0.0500 . 1 . . . . 15 TYR N . 19008 1 153 . 1 1 16 16 SER H H 1 9.442 0.0050 . 1 . . . . 16 SER H . 19008 1 154 . 1 1 16 16 SER HA H 1 4.67 0.0050 . 1 . . . . 16 SER HA . 19008 1 155 . 1 1 16 16 SER HB2 H 1 4.22 0.0050 . 1 . . . . 16 SER HB2 . 19008 1 156 . 1 1 16 16 SER C C 13 174.625 0.0500 . 1 . . . . 16 SER C . 19008 1 157 . 1 1 16 16 SER CA C 13 58.654 0.0500 . 1 . . . . 16 SER CA . 19008 1 158 . 1 1 16 16 SER CB C 13 66.561 0.0500 . 1 . . . . 16 SER CB . 19008 1 159 . 1 1 16 16 SER N N 15 121.421 0.0500 . 1 . . . . 16 SER N . 19008 1 160 . 1 1 17 17 LEU H H 1 9.096 0.0050 . 1 . . . . 17 LEU H . 19008 1 161 . 1 1 17 17 LEU HA H 1 3.962 0.0050 . 1 . . . . 17 LEU HA . 19008 1 162 . 1 1 17 17 LEU HB2 H 1 1.938 0.0050 . 1 . . . . 17 LEU HB2 . 19008 1 163 . 1 1 17 17 LEU HG H 1 1.708 0.0050 . 1 . . . . 17 LEU HG . 19008 1 164 . 1 1 17 17 LEU HD11 H 1 1.045 0.0050 . 1 . . . . 17 LEU HD11 . 19008 1 165 . 1 1 17 17 LEU HD12 H 1 1.045 0.0050 . 1 . . . . 17 LEU HD11 . 19008 1 166 . 1 1 17 17 LEU HD13 H 1 1.045 0.0050 . 1 . . . . 17 LEU HD11 . 19008 1 167 . 1 1 17 17 LEU HD21 H 1 0.999 0.0050 . 1 . . . . 17 LEU HD21 . 19008 1 168 . 1 1 17 17 LEU HD22 H 1 0.999 0.0050 . 1 . . . . 17 LEU HD21 . 19008 1 169 . 1 1 17 17 LEU HD23 H 1 0.999 0.0050 . 1 . . . . 17 LEU HD21 . 19008 1 170 . 1 1 17 17 LEU C C 13 178.565 0.0500 . 1 . . . . 17 LEU C . 19008 1 171 . 1 1 17 17 LEU CA C 13 61.385 0.0500 . 1 . . . . 17 LEU CA . 19008 1 172 . 1 1 17 17 LEU CB C 13 44.024 0.0500 . 1 . . . . 17 LEU CB . 19008 1 173 . 1 1 17 17 LEU CG C 13 29.432 0.0500 . 1 . . . . 17 LEU CG . 19008 1 174 . 1 1 17 17 LEU CD1 C 13 26.84 0.0500 . 1 . . . . 17 LEU CD1 . 19008 1 175 . 1 1 17 17 LEU CD2 C 13 25.966 0.0500 . 1 . . . . 17 LEU CD2 . 19008 1 176 . 1 1 17 17 LEU N N 15 124.927 0.0500 . 1 . . . . 17 LEU N . 19008 1 177 . 1 1 18 18 SER H H 1 8.539 0.0050 . 1 . . . . 18 SER H . 19008 1 178 . 1 1 18 18 SER HA H 1 4.075 0.0050 . 1 . . . . 18 SER HA . 19008 1 179 . 1 1 18 18 SER HB2 H 1 4.063 0.0050 . 1 . . . . 18 SER HB2 . 19008 1 180 . 1 1 18 18 SER C C 13 176.439 0.0500 . 1 . . . . 18 SER C . 19008 1 181 . 1 1 18 18 SER CA C 13 63.267 0.0500 . 1 . . . . 18 SER CA . 19008 1 182 . 1 1 18 18 SER CB C 13 63.87 0.0500 . 1 . . . . 18 SER CB . 19008 1 183 . 1 1 18 18 SER N N 15 113.178 0.0500 . 1 . . . . 18 SER N . 19008 1 184 . 1 1 19 19 GLU H H 1 7.989 0.0050 . 1 . . . . 19 GLU H . 19008 1 185 . 1 1 19 19 GLU HA H 1 4.183 0.0050 . 1 . . . . 19 GLU HA . 19008 1 186 . 1 1 19 19 GLU HB2 H 1 2.366 0.0050 . 1 . . . . 19 GLU HB2 . 19008 1 187 . 1 1 19 19 GLU HG2 H 1 2.41 0.0050 . 1 . . . . 19 GLU HG2 . 19008 1 188 . 1 1 19 19 GLU C C 13 178.49 0.0500 . 1 . . . . 19 GLU C . 19008 1 189 . 1 1 19 19 GLU CA C 13 60.506 0.0500 . 1 . . . . 19 GLU CA . 19008 1 190 . 1 1 19 19 GLU CB C 13 31.618 0.0500 . 1 . . . . 19 GLU CB . 19008 1 191 . 1 1 19 19 GLU CG C 13 38.581 0.0500 . 1 . . . . 19 GLU CG . 19008 1 192 . 1 1 19 19 GLU N N 15 122.922 0.0500 . 1 . . . . 19 GLU N . 19008 1 193 . 1 1 20 20 LEU H H 1 8.327 0.0050 . 1 . . . . 20 LEU H . 19008 1 194 . 1 1 20 20 LEU HA H 1 3.955 0.0050 . 1 . . . . 20 LEU HA . 19008 1 195 . 1 1 20 20 LEU HB2 H 1 2.08 0.0050 . 1 . . . . 20 LEU HB2 . 19008 1 196 . 1 1 20 20 LEU HG H 1 1.586 0.0050 . 1 . . . . 20 LEU HG . 19008 1 197 . 1 1 20 20 LEU HD11 H 1 1.076 0.0050 . 1 . . . . 20 LEU HD11 . 19008 1 198 . 1 1 20 20 LEU HD12 H 1 1.076 0.0050 . 1 . . . . 20 LEU HD11 . 19008 1 199 . 1 1 20 20 LEU HD13 H 1 1.076 0.0050 . 1 . . . . 20 LEU HD11 . 19008 1 200 . 1 1 20 20 LEU HD21 H 1 1.04 0.0050 . 1 . . . . 20 LEU HD21 . 19008 1 201 . 1 1 20 20 LEU HD22 H 1 1.04 0.0050 . 1 . . . . 20 LEU HD21 . 19008 1 202 . 1 1 20 20 LEU HD23 H 1 1.04 0.0050 . 1 . . . . 20 LEU HD21 . 19008 1 203 . 1 1 20 20 LEU C C 13 176.952 0.0500 . 1 . . . . 20 LEU C . 19008 1 204 . 1 1 20 20 LEU CA C 13 59.443 0.0500 . 1 . . . . 20 LEU CA . 19008 1 205 . 1 1 20 20 LEU CB C 13 41.907 0.0500 . 1 . . . . 20 LEU CB . 19008 1 206 . 1 1 20 20 LEU CG C 13 28.747 0.0500 . 1 . . . . 20 LEU CG . 19008 1 207 . 1 1 20 20 LEU CD1 C 13 28.747 0.0500 . 1 . . . . 20 LEU CD1 . 19008 1 208 . 1 1 20 20 LEU CD2 C 13 25.078 0.0500 . 1 . . . . 20 LEU CD2 . 19008 1 209 . 1 1 20 20 LEU N N 15 119.207 0.0500 . 1 . . . . 20 LEU N . 19008 1 210 . 1 1 21 21 ALA H H 1 8.287 0.0050 . 1 . . . . 21 ALA H . 19008 1 211 . 1 1 21 21 ALA HA H 1 3.967 0.0050 . 1 . . . . 21 ALA HA . 19008 1 212 . 1 1 21 21 ALA HB1 H 1 1.65 0.0050 . 1 . . . . 21 ALA HB1 . 19008 1 213 . 1 1 21 21 ALA HB2 H 1 1.65 0.0050 . 1 . . . . 21 ALA HB1 . 19008 1 214 . 1 1 21 21 ALA HB3 H 1 1.65 0.0050 . 1 . . . . 21 ALA HB1 . 19008 1 215 . 1 1 21 21 ALA C C 13 178.917 0.0500 . 1 . . . . 21 ALA C . 19008 1 216 . 1 1 21 21 ALA CA C 13 57.226 0.0500 . 1 . . . . 21 ALA CA . 19008 1 217 . 1 1 21 21 ALA CB C 13 18.509 0.0500 . 1 . . . . 21 ALA CB . 19008 1 218 . 1 1 21 21 ALA N N 15 120.654 0.0500 . 1 . . . . 21 ALA N . 19008 1 219 . 1 1 22 22 GLU H H 1 8.17 0.0050 . 1 . . . . 22 GLU H . 19008 1 220 . 1 1 22 22 GLU HA H 1 4.195 0.0050 . 1 . . . . 22 GLU HA . 19008 1 221 . 1 1 22 22 GLU HB2 H 1 2.277 0.0050 . 1 . . . . 22 GLU HB2 . 19008 1 222 . 1 1 22 22 GLU HG2 H 1 2.51 0.0050 . 1 . . . . 22 GLU HG2 . 19008 1 223 . 1 1 22 22 GLU C C 13 179.696 0.0500 . 1 . . . . 22 GLU C . 19008 1 224 . 1 1 22 22 GLU CA C 13 60.487 0.0500 . 1 . . . . 22 GLU CA . 19008 1 225 . 1 1 22 22 GLU CB C 13 31.195 0.0500 . 1 . . . . 22 GLU CB . 19008 1 226 . 1 1 22 22 GLU CG C 13 37.938 0.0500 . 1 . . . . 22 GLU CG . 19008 1 227 . 1 1 22 22 GLU N N 15 117.519 0.0500 . 1 . . . . 22 GLU N . 19008 1 228 . 1 1 23 23 LYS H H 1 8.381 0.0050 . 1 . . . . 23 LYS H . 19008 1 229 . 1 1 23 23 LYS HA H 1 4.15 0.0050 . 1 . . . . 23 LYS HA . 19008 1 230 . 1 1 23 23 LYS HB2 H 1 1.872 0.0050 . 1 . . . . 23 LYS HB2 . 19008 1 231 . 1 1 23 23 LYS HG2 H 1 1.708 0.0050 . 1 . . . . 23 LYS HG2 . 19008 1 232 . 1 1 23 23 LYS HD2 H 1 1.592 0.0050 . 1 . . . . 23 LYS HD2 . 19008 1 233 . 1 1 23 23 LYS HE2 H 1 2.97 0.0050 . 1 . . . . 23 LYS HE2 . 19008 1 234 . 1 1 23 23 LYS C C 13 177.868 0.0500 . 1 . . . . 23 LYS C . 19008 1 235 . 1 1 23 23 LYS CA C 13 60.376 0.0500 . 1 . . . . 23 LYS CA . 19008 1 236 . 1 1 23 23 LYS CB C 13 34.683 0.0500 . 1 . . . . 23 LYS CB . 19008 1 237 . 1 1 23 23 LYS CG C 13 27.576 0.0500 . 1 . . . . 23 LYS CG . 19008 1 238 . 1 1 23 23 LYS CD C 13 30.311 0.0500 . 1 . . . . 23 LYS CD . 19008 1 239 . 1 1 23 23 LYS CE C 13 43.318 0.0500 . 1 . . . . 23 LYS CE . 19008 1 240 . 1 1 23 23 LYS N N 15 119.612 0.0500 . 1 . . . . 23 LYS N . 19008 1 241 . 1 1 24 24 ALA H H 1 8.594 0.0050 . 1 . . . . 24 ALA H . 19008 1 242 . 1 1 24 24 ALA HA H 1 4.275 0.0050 . 1 . . . . 24 ALA HA . 19008 1 243 . 1 1 24 24 ALA HB1 H 1 1.343 0.0050 . 1 . . . . 24 ALA HB1 . 19008 1 244 . 1 1 24 24 ALA HB2 H 1 1.343 0.0050 . 1 . . . . 24 ALA HB1 . 19008 1 245 . 1 1 24 24 ALA HB3 H 1 1.343 0.0050 . 1 . . . . 24 ALA HB1 . 19008 1 246 . 1 1 24 24 ALA C C 13 176.487 0.0500 . 1 . . . . 24 ALA C . 19008 1 247 . 1 1 24 24 ALA CA C 13 53.645 0.0500 . 1 . . . . 24 ALA CA . 19008 1 248 . 1 1 24 24 ALA CB C 13 20.539 0.0500 . 1 . . . . 24 ALA CB . 19008 1 249 . 1 1 24 24 ALA N N 15 118.703 0.0500 . 1 . . . . 24 ALA N . 19008 1 250 . 1 1 25 25 GLY H H 1 7.954 0.0050 . 1 . . . . 25 GLY H . 19008 1 251 . 1 1 25 25 GLY HA2 H 1 4.062 0.0050 . 1 . . . . 25 GLY HA2 . 19008 1 252 . 1 1 25 25 GLY C C 13 175.111 0.0500 . 1 . . . . 25 GLY C . 19008 1 253 . 1 1 25 25 GLY CA C 13 48.082 0.0500 . 1 . . . . 25 GLY CA . 19008 1 254 . 1 1 25 25 GLY N N 15 108.392 0.0500 . 1 . . . . 25 GLY N . 19008 1 255 . 1 1 26 26 VAL H H 1 8.197 0.0050 . 1 . . . . 26 VAL H . 19008 1 256 . 1 1 26 26 VAL HA H 1 4.882 0.0050 . 1 . . . . 26 VAL HA . 19008 1 257 . 1 1 26 26 VAL HB H 1 2.505 0.0050 . 1 . . . . 26 VAL HB . 19008 1 258 . 1 1 26 26 VAL HG11 H 1 0.932 0.0050 . 1 . . . . 26 VAL HG11 . 19008 1 259 . 1 1 26 26 VAL HG12 H 1 0.932 0.0050 . 1 . . . . 26 VAL HG11 . 19008 1 260 . 1 1 26 26 VAL HG13 H 1 0.932 0.0050 . 1 . . . . 26 VAL HG11 . 19008 1 261 . 1 1 26 26 VAL HG21 H 1 0.964 0.0050 . 1 . . . . 26 VAL HG21 . 19008 1 262 . 1 1 26 26 VAL HG22 H 1 0.964 0.0050 . 1 . . . . 26 VAL HG21 . 19008 1 263 . 1 1 26 26 VAL HG23 H 1 0.964 0.0050 . 1 . . . . 26 VAL HG21 . 19008 1 264 . 1 1 26 26 VAL C C 13 173.936 0.0500 . 1 . . . . 26 VAL C . 19008 1 265 . 1 1 26 26 VAL CA C 13 59.439 0.0500 . 1 . . . . 26 VAL CA . 19008 1 266 . 1 1 26 26 VAL CB C 13 36.393 0.0500 . 1 . . . . 26 VAL CB . 19008 1 267 . 1 1 26 26 VAL CG1 C 13 19.999 0.0500 . 1 . . . . 26 VAL CG1 . 19008 1 268 . 1 1 26 26 VAL CG2 C 13 22.878 0.0500 . 1 . . . . 26 VAL CG2 . 19008 1 269 . 1 1 26 26 VAL N N 15 112.376 0.0500 . 1 . . . . 26 VAL N . 19008 1 270 . 1 1 27 27 ALA H H 1 8.696 0.0050 . 1 . . . . 27 ALA H . 19008 1 271 . 1 1 27 27 ALA HA H 1 4.509 0.0050 . 1 . . . . 27 ALA HA . 19008 1 272 . 1 1 27 27 ALA HB1 H 1 1.65 0.0050 . 1 . . . . 27 ALA HB1 . 19008 1 273 . 1 1 27 27 ALA HB2 H 1 1.65 0.0050 . 1 . . . . 27 ALA HB1 . 19008 1 274 . 1 1 27 27 ALA HB3 H 1 1.65 0.0050 . 1 . . . . 27 ALA HB1 . 19008 1 275 . 1 1 27 27 ALA C C 13 179.079 0.0500 . 1 . . . . 27 ALA C . 19008 1 276 . 1 1 27 27 ALA CA C 13 53.619 0.0500 . 1 . . . . 27 ALA CA . 19008 1 277 . 1 1 27 27 ALA CB C 13 20.02 0.0500 . 1 . . . . 27 ALA CB . 19008 1 278 . 1 1 27 27 ALA N N 15 124.412 0.0500 . 1 . . . . 27 ALA N . 19008 1 279 . 1 1 28 28 LYS H H 1 9.143 0.0050 . 1 . . . . 28 LYS H . 19008 1 280 . 1 1 28 28 LYS HA H 1 3.845 0.0050 . 1 . . . . 28 LYS HA . 19008 1 281 . 1 1 28 28 LYS HB2 H 1 1.984 0.0050 . 1 . . . . 28 LYS HB2 . 19008 1 282 . 1 1 28 28 LYS HG2 H 1 1.502 0.0050 . 1 . . . . 28 LYS HG2 . 19008 1 283 . 1 1 28 28 LYS HD2 H 1 1.847 0.0050 . 1 . . . . 28 LYS HD2 . 19008 1 284 . 1 1 28 28 LYS HE2 H 1 3.115 0.0050 . 1 . . . . 28 LYS HE2 . 19008 1 285 . 1 1 28 28 LYS C C 13 178.058 0.0500 . 1 . . . . 28 LYS C . 19008 1 286 . 1 1 28 28 LYS CA C 13 62.03 0.0500 . 1 . . . . 28 LYS CA . 19008 1 287 . 1 1 28 28 LYS CB C 13 33.498 0.0500 . 1 . . . . 28 LYS CB . 19008 1 288 . 1 1 28 28 LYS CG C 13 26.795 0.0500 . 1 . . . . 28 LYS CG . 19008 1 289 . 1 1 28 28 LYS CD C 13 31.03 0.0500 . 1 . . . . 28 LYS CD . 19008 1 290 . 1 1 28 28 LYS CE C 13 43.202 0.0500 . 1 . . . . 28 LYS CE . 19008 1 291 . 1 1 28 28 LYS N N 15 127.406 0.0500 . 1 . . . . 28 LYS N . 19008 1 292 . 1 1 29 29 SER H H 1 8.931 0.0050 . 1 . . . . 29 SER H . 19008 1 293 . 1 1 29 29 SER HA H 1 4.285 0.0050 . 1 . . . . 29 SER HA . 19008 1 294 . 1 1 29 29 SER HB2 H 1 4.07 0.0050 . 1 . . . . 29 SER HB2 . 19008 1 295 . 1 1 29 29 SER C C 13 176.492 0.0500 . 1 . . . . 29 SER C . 19008 1 296 . 1 1 29 29 SER CA C 13 62.317 0.0500 . 1 . . . . 29 SER CA . 19008 1 297 . 1 1 29 29 SER CB C 13 63.204 0.0500 . 1 . . . . 29 SER CB . 19008 1 298 . 1 1 29 29 SER N N 15 113.829 0.0500 . 1 . . . . 29 SER N . 19008 1 299 . 1 1 30 30 TYR H H 1 7.078 0.0050 . 1 . . . . 30 TYR H . 19008 1 300 . 1 1 30 30 TYR HA H 1 4.445 0.0050 . 1 . . . . 30 TYR HA . 19008 1 301 . 1 1 30 30 TYR HB2 H 1 3.318 0.0050 . 1 . . . . 30 TYR HB2 . 19008 1 302 . 1 1 30 30 TYR HD1 H 1 6.97 0.0050 . 1 . . . . 30 TYR HD1 . 19008 1 303 . 1 1 30 30 TYR HE1 H 1 6.284 0.0050 . 1 . . . . 30 TYR HE1 . 19008 1 304 . 1 1 30 30 TYR C C 13 177.275 0.0500 . 1 . . . . 30 TYR C . 19008 1 305 . 1 1 30 30 TYR CA C 13 62.057 0.0500 . 1 . . . . 30 TYR CA . 19008 1 306 . 1 1 30 30 TYR CB C 13 40.351 0.0500 . 1 . . . . 30 TYR CB . 19008 1 307 . 1 1 30 30 TYR CD1 C 13 134.398 0.0500 . 1 . . . . 30 TYR CD1 . 19008 1 308 . 1 1 30 30 TYR CE1 C 13 119.336 0.0500 . 1 . . . . 30 TYR CE1 . 19008 1 309 . 1 1 30 30 TYR N N 15 125.163 0.0500 . 1 . . . . 30 TYR N . 19008 1 310 . 1 1 31 31 LEU H H 1 8.185 0.0050 . 1 . . . . 31 LEU H . 19008 1 311 . 1 1 31 31 LEU HA H 1 4.158 0.0050 . 1 . . . . 31 LEU HA . 19008 1 312 . 1 1 31 31 LEU HB2 H 1 2.135 0.0050 . 1 . . . . 31 LEU HB2 . 19008 1 313 . 1 1 31 31 LEU HG H 1 1.831 0.0050 . 1 . . . . 31 LEU HG . 19008 1 314 . 1 1 31 31 LEU HD11 H 1 1.243 0.0050 . 1 . . . . 31 LEU HD11 . 19008 1 315 . 1 1 31 31 LEU HD12 H 1 1.243 0.0050 . 1 . . . . 31 LEU HD11 . 19008 1 316 . 1 1 31 31 LEU HD13 H 1 1.243 0.0050 . 1 . . . . 31 LEU HD11 . 19008 1 317 . 1 1 31 31 LEU HD21 H 1 1.109 0.0050 . 1 . . . . 31 LEU HD21 . 19008 1 318 . 1 1 31 31 LEU HD22 H 1 1.109 0.0050 . 1 . . . . 31 LEU HD21 . 19008 1 319 . 1 1 31 31 LEU HD23 H 1 1.109 0.0050 . 1 . . . . 31 LEU HD21 . 19008 1 320 . 1 1 31 31 LEU C C 13 177.654 0.0500 . 1 . . . . 31 LEU C . 19008 1 321 . 1 1 31 31 LEU CA C 13 59.704 0.0500 . 1 . . . . 31 LEU CA . 19008 1 322 . 1 1 31 31 LEU CB C 13 43.202 0.0500 . 1 . . . . 31 LEU CB . 19008 1 323 . 1 1 31 31 LEU CG C 13 28.669 0.0500 . 1 . . . . 31 LEU CG . 19008 1 324 . 1 1 31 31 LEU CD1 C 13 24.682 0.0500 . 1 . . . . 31 LEU CD1 . 19008 1 325 . 1 1 31 31 LEU CD2 C 13 29.139 0.0500 . 1 . . . . 31 LEU CD2 . 19008 1 326 . 1 1 31 31 LEU N N 15 120.421 0.0500 . 1 . . . . 31 LEU N . 19008 1 327 . 1 1 32 32 SER H H 1 8.845 0.0050 . 1 . . . . 32 SER H . 19008 1 328 . 1 1 32 32 SER HA H 1 4.15 0.0050 . 1 . . . . 32 SER HA . 19008 1 329 . 1 1 32 32 SER HB2 H 1 4.082 0.0050 . 1 . . . . 32 SER HB2 . 19008 1 330 . 1 1 32 32 SER C C 13 176.703 0.0500 . 1 . . . . 32 SER C . 19008 1 331 . 1 1 32 32 SER CA C 13 62.8 0.0500 . 1 . . . . 32 SER CA . 19008 1 332 . 1 1 32 32 SER CB C 13 64.084 0.0500 . 1 . . . . 32 SER CB . 19008 1 333 . 1 1 32 32 SER N N 15 112.851 0.0500 . 1 . . . . 32 SER N . 19008 1 334 . 1 1 33 33 SER H H 1 7.785 0.0050 . 1 . . . . 33 SER H . 19008 1 335 . 1 1 33 33 SER HA H 1 4.2 0.0050 . 1 . . . . 33 SER HA . 19008 1 336 . 1 1 33 33 SER HB2 H 1 4.092 0.0050 . 1 . . . . 33 SER HB2 . 19008 1 337 . 1 1 33 33 SER C C 13 176.016 0.0500 . 1 . . . . 33 SER C . 19008 1 338 . 1 1 33 33 SER CA C 13 63.887 0.0500 . 1 . . . . 33 SER CA . 19008 1 339 . 1 1 33 33 SER CB C 13 63.563 0.0500 . 1 . . . . 33 SER CB . 19008 1 340 . 1 1 33 33 SER N N 15 116.236 0.0500 . 1 . . . . 33 SER N . 19008 1 341 . 1 1 34 34 ILE H H 1 7.981 0.0050 . 1 . . . . 34 ILE H . 19008 1 342 . 1 1 34 34 ILE HA H 1 4.158 0.0050 . 1 . . . . 34 ILE HA . 19008 1 343 . 1 1 34 34 ILE HB H 1 2.196 0.0050 . 1 . . . . 34 ILE HB . 19008 1 344 . 1 1 34 34 ILE HG12 H 1 0.984 0.0050 . 1 . . . . 34 ILE HG12 . 19008 1 345 . 1 1 34 34 ILE HG21 H 1 0.986 0.0050 . 1 . . . . 34 ILE HG21 . 19008 1 346 . 1 1 34 34 ILE HG22 H 1 0.986 0.0050 . 1 . . . . 34 ILE HG21 . 19008 1 347 . 1 1 34 34 ILE HG23 H 1 0.986 0.0050 . 1 . . . . 34 ILE HG21 . 19008 1 348 . 1 1 34 34 ILE HD11 H 1 0.238 0.0050 . 1 . . . . 34 ILE HD11 . 19008 1 349 . 1 1 34 34 ILE HD12 H 1 0.238 0.0050 . 1 . . . . 34 ILE HD11 . 19008 1 350 . 1 1 34 34 ILE HD13 H 1 0.238 0.0050 . 1 . . . . 34 ILE HD11 . 19008 1 351 . 1 1 34 34 ILE C C 13 179.604 0.0500 . 1 . . . . 34 ILE C . 19008 1 352 . 1 1 34 34 ILE CA C 13 63.974 0.0500 . 1 . . . . 34 ILE CA . 19008 1 353 . 1 1 34 34 ILE CB C 13 37.692 0.0500 . 1 . . . . 34 ILE CB . 19008 1 354 . 1 1 34 34 ILE CG1 C 13 28.804 0.0500 . 1 . . . . 34 ILE CG1 . 19008 1 355 . 1 1 34 34 ILE CG2 C 13 18.755 0.0500 . 1 . . . . 34 ILE CG2 . 19008 1 356 . 1 1 34 34 ILE CD1 C 13 12.303 0.0500 . 1 . . . . 34 ILE CD1 . 19008 1 357 . 1 1 34 34 ILE N N 15 124.018 0.0500 . 1 . . . . 34 ILE N . 19008 1 358 . 1 1 35 35 GLU H H 1 8.546 0.0050 . 1 . . . . 35 GLU H . 19008 1 359 . 1 1 35 35 GLU HA H 1 4.012 0.0050 . 1 . . . . 35 GLU HA . 19008 1 360 . 1 1 35 35 GLU HB2 H 1 2.208 0.0050 . 1 . . . . 35 GLU HB2 . 19008 1 361 . 1 1 35 35 GLU HG2 H 1 2.687 0.0050 . 1 . . . . 35 GLU HG2 . 19008 1 362 . 1 1 35 35 GLU C C 13 177.6 0.0500 . 1 . . . . 35 GLU C . 19008 1 363 . 1 1 35 35 GLU CA C 13 62.276 0.0500 . 1 . . . . 35 GLU CA . 19008 1 364 . 1 1 35 35 GLU CB C 13 31.344 0.0500 . 1 . . . . 35 GLU CB . 19008 1 365 . 1 1 35 35 GLU CG C 13 38.655 0.0500 . 1 . . . . 35 GLU CG . 19008 1 366 . 1 1 35 35 GLU N N 15 121.592 0.0500 . 1 . . . . 35 GLU N . 19008 1 367 . 1 1 36 36 ARG H H 1 7.769 0.0050 . 1 . . . . 36 ARG H . 19008 1 368 . 1 1 36 36 ARG HA H 1 4.404 0.0050 . 1 . . . . 36 ARG HA . 19008 1 369 . 1 1 36 36 ARG HB2 H 1 2.218 0.0050 . 1 . . . . 36 ARG HB2 . 19008 1 370 . 1 1 36 36 ARG HG2 H 1 2.022 0.0050 . 1 . . . . 36 ARG HG2 . 19008 1 371 . 1 1 36 36 ARG HD2 H 1 3.27 0.0050 . 1 . . . . 36 ARG HD2 . 19008 1 372 . 1 1 36 36 ARG C C 13 175.151 0.0500 . 1 . . . . 36 ARG C . 19008 1 373 . 1 1 36 36 ARG CA C 13 57.489 0.0500 . 1 . . . . 36 ARG CA . 19008 1 374 . 1 1 36 36 ARG CB C 13 32.005 0.0500 . 1 . . . . 36 ARG CB . 19008 1 375 . 1 1 36 36 ARG CG C 13 30.132 0.0500 . 1 . . . . 36 ARG CG . 19008 1 376 . 1 1 36 36 ARG CD C 13 45.05 0.0500 . 1 . . . . 36 ARG CD . 19008 1 377 . 1 1 36 36 ARG N N 15 115.355 0.0500 . 1 . . . . 36 ARG N . 19008 1 378 . 1 1 37 37 ASN H H 1 8.217 0.0050 . 1 . . . . 37 ASN H . 19008 1 379 . 1 1 37 37 ASN HA H 1 4.554 0.0050 . 1 . . . . 37 ASN HA . 19008 1 380 . 1 1 37 37 ASN HB2 H 1 3.181 0.0050 . 1 . . . . 37 ASN HB2 . 19008 1 381 . 1 1 37 37 ASN C C 13 174.098 0.0500 . 1 . . . . 37 ASN C . 19008 1 382 . 1 1 37 37 ASN CA C 13 55.955 0.0500 . 1 . . . . 37 ASN CA . 19008 1 383 . 1 1 37 37 ASN CB C 13 38.627 0.0500 . 1 . . . . 37 ASN CB . 19008 1 384 . 1 1 37 37 ASN N N 15 115.381 0.0500 . 1 . . . . 37 ASN N . 19008 1 385 . 1 1 38 38 LEU H H 1 8.303 0.0050 . 1 . . . . 38 LEU H . 19008 1 386 . 1 1 38 38 LEU HA H 1 4.459 0.0050 . 1 . . . . 38 LEU HA . 19008 1 387 . 1 1 38 38 LEU HB2 H 1 1.81 0.0050 . 1 . . . . 38 LEU HB2 . 19008 1 388 . 1 1 38 38 LEU HG H 1 1.678 0.0050 . 1 . . . . 38 LEU HG . 19008 1 389 . 1 1 38 38 LEU HD11 H 1 1.025 0.0050 . 1 . . . . 38 LEU HD11 . 19008 1 390 . 1 1 38 38 LEU HD12 H 1 1.025 0.0050 . 1 . . . . 38 LEU HD11 . 19008 1 391 . 1 1 38 38 LEU HD13 H 1 1.025 0.0050 . 1 . . . . 38 LEU HD11 . 19008 1 392 . 1 1 38 38 LEU HD21 H 1 0.969 0.0050 . 1 . . . . 38 LEU HD21 . 19008 1 393 . 1 1 38 38 LEU HD22 H 1 0.969 0.0050 . 1 . . . . 38 LEU HD21 . 19008 1 394 . 1 1 38 38 LEU HD23 H 1 0.969 0.0050 . 1 . . . . 38 LEU HD21 . 19008 1 395 . 1 1 38 38 LEU C C 13 177.164 0.0500 . 1 . . . . 38 LEU C . 19008 1 396 . 1 1 38 38 LEU CA C 13 57.132 0.0500 . 1 . . . . 38 LEU CA . 19008 1 397 . 1 1 38 38 LEU CB C 13 43.336 0.0500 . 1 . . . . 38 LEU CB . 19008 1 398 . 1 1 38 38 LEU CG C 13 28.349 0.0500 . 1 . . . . 38 LEU CG . 19008 1 399 . 1 1 38 38 LEU CD1 C 13 26.408 0.0500 . 1 . . . . 38 LEU CD1 . 19008 1 400 . 1 1 38 38 LEU CD2 C 13 23.765 0.0500 . 1 . . . . 38 LEU CD2 . 19008 1 401 . 1 1 38 38 LEU N N 15 117.701 0.0500 . 1 . . . . 38 LEU N . 19008 1 402 . 1 1 39 39 GLN H H 1 7.235 0.0050 . 1 . . . . 39 GLN H . 19008 1 403 . 1 1 39 39 GLN HA H 1 4.633 0.0050 . 1 . . . . 39 GLN HA . 19008 1 404 . 1 1 39 39 GLN HB2 H 1 1.931 0.0050 . 1 . . . . 39 GLN HB2 . 19008 1 405 . 1 1 39 39 GLN HG2 H 1 2.244 0.0050 . 1 . . . . 39 GLN HG2 . 19008 1 406 . 1 1 39 39 GLN C C 13 174.974 0.0500 . 1 . . . . 39 GLN C . 19008 1 407 . 1 1 39 39 GLN CA C 13 55.713 0.0500 . 1 . . . . 39 GLN CA . 19008 1 408 . 1 1 39 39 GLN CB C 13 31.922 0.0500 . 1 . . . . 39 GLN CB . 19008 1 409 . 1 1 39 39 GLN CG C 13 35.584 0.0500 . 1 . . . . 39 GLN CG . 19008 1 410 . 1 1 39 39 GLN N N 15 118.665 0.0500 . 1 . . . . 39 GLN N . 19008 1 411 . 1 1 40 40 THR H H 1 8.421 0.0050 . 1 . . . . 40 THR H . 19008 1 412 . 1 1 40 40 THR HA H 1 4.504 0.0050 . 1 . . . . 40 THR HA . 19008 1 413 . 1 1 40 40 THR HB H 1 4.516 0.0050 . 1 . . . . 40 THR HB . 19008 1 414 . 1 1 40 40 THR HG21 H 1 1.213 0.0050 . 1 . . . . 40 THR HG21 . 19008 1 415 . 1 1 40 40 THR HG22 H 1 1.213 0.0050 . 1 . . . . 40 THR HG21 . 19008 1 416 . 1 1 40 40 THR HG23 H 1 1.213 0.0050 . 1 . . . . 40 THR HG21 . 19008 1 417 . 1 1 40 40 THR C C 13 173.43 0.0500 . 1 . . . . 40 THR C . 19008 1 418 . 1 1 40 40 THR CA C 13 62.488 0.0500 . 1 . . . . 40 THR CA . 19008 1 419 . 1 1 40 40 THR CB C 13 71.321 0.0500 . 1 . . . . 40 THR CB . 19008 1 420 . 1 1 40 40 THR CG2 C 13 22.681 0.0500 . 1 . . . . 40 THR CG2 . 19008 1 421 . 1 1 40 40 THR N N 15 114.328 0.0500 . 1 . . . . 40 THR N . 19008 1 422 . 1 1 41 41 ASN H H 1 8.766 0.0050 . 1 . . . . 41 ASN H . 19008 1 423 . 1 1 41 41 ASN HA H 1 5.226 0.0050 . 1 . . . . 41 ASN HA . 19008 1 424 . 1 1 41 41 ASN HB2 H 1 2.965 0.0050 . 1 . . . . 41 ASN HB2 . 19008 1 425 . 1 1 41 41 ASN C C 13 171.553 0.0500 . 1 . . . . 41 ASN C . 19008 1 426 . 1 1 41 41 ASN CA C 13 53.198 0.0500 . 1 . . . . 41 ASN CA . 19008 1 427 . 1 1 41 41 ASN CB C 13 40.565 0.0500 . 1 . . . . 41 ASN CB . 19008 1 428 . 1 1 41 41 ASN N N 15 119.759 0.0500 . 1 . . . . 41 ASN N . 19008 1 429 . 1 1 42 42 PRO HA H 1 4.599 0.0050 . 1 . . . . 42 PRO HA . 19008 1 430 . 1 1 42 42 PRO HB2 H 1 2.132 0.0050 . 1 . . . . 42 PRO HB2 . 19008 1 431 . 1 1 42 42 PRO HG2 H 1 2.165 0.0050 . 1 . . . . 42 PRO HG2 . 19008 1 432 . 1 1 42 42 PRO HD2 H 1 3.862 0.0050 . 1 . . . . 42 PRO HD2 . 19008 1 433 . 1 1 42 42 PRO C C 13 175.327 0.0500 . 1 . . . . 42 PRO C . 19008 1 434 . 1 1 42 42 PRO CA C 13 63.925 0.0500 . 1 . . . . 42 PRO CA . 19008 1 435 . 1 1 42 42 PRO CB C 13 34.12 0.0500 . 1 . . . . 42 PRO CB . 19008 1 436 . 1 1 42 42 PRO CG C 13 29.139 0.0500 . 1 . . . . 42 PRO CG . 19008 1 437 . 1 1 42 42 PRO CD C 13 51.698 0.0500 . 1 . . . . 42 PRO CD . 19008 1 438 . 1 1 43 43 SER H H 1 8.319 0.0050 . 1 . . . . 43 SER H . 19008 1 439 . 1 1 43 43 SER HA H 1 4.6 0.0050 . 1 . . . . 43 SER HA . 19008 1 440 . 1 1 43 43 SER HB2 H 1 4.238 0.0050 . 1 . . . . 43 SER HB2 . 19008 1 441 . 1 1 43 43 SER C C 13 175.15 0.0500 . 1 . . . . 43 SER C . 19008 1 442 . 1 1 43 43 SER CA C 13 58.796 0.0500 . 1 . . . . 43 SER CA . 19008 1 443 . 1 1 43 43 SER CB C 13 66.053 0.0500 . 1 . . . . 43 SER CB . 19008 1 444 . 1 1 43 43 SER N N 15 116.307 0.0500 . 1 . . . . 43 SER N . 19008 1 445 . 1 1 44 44 ILE H H 1 8.884 0.0050 . 1 . . . . 44 ILE H . 19008 1 446 . 1 1 44 44 ILE HA H 1 4.166 0.0050 . 1 . . . . 44 ILE HA . 19008 1 447 . 1 1 44 44 ILE HB H 1 2.1 0.0050 . 1 . . . . 44 ILE HB . 19008 1 448 . 1 1 44 44 ILE HG12 H 1 1.655 0.0050 . 1 . . . . 44 ILE HG12 . 19008 1 449 . 1 1 44 44 ILE HG21 H 1 1.124 0.0050 . 1 . . . . 44 ILE HG21 . 19008 1 450 . 1 1 44 44 ILE HG22 H 1 1.124 0.0050 . 1 . . . . 44 ILE HG21 . 19008 1 451 . 1 1 44 44 ILE HG23 H 1 1.124 0.0050 . 1 . . . . 44 ILE HG21 . 19008 1 452 . 1 1 44 44 ILE HD11 H 1 1.063 0.0050 . 1 . . . . 44 ILE HD11 . 19008 1 453 . 1 1 44 44 ILE HD12 H 1 1.063 0.0050 . 1 . . . . 44 ILE HD11 . 19008 1 454 . 1 1 44 44 ILE HD13 H 1 1.063 0.0050 . 1 . . . . 44 ILE HD11 . 19008 1 455 . 1 1 44 44 ILE C C 13 177.064 0.0500 . 1 . . . . 44 ILE C . 19008 1 456 . 1 1 44 44 ILE CA C 13 63.972 0.0500 . 1 . . . . 44 ILE CA . 19008 1 457 . 1 1 44 44 ILE CB C 13 38.807 0.0500 . 1 . . . . 44 ILE CB . 19008 1 458 . 1 1 44 44 ILE CG1 C 13 30.311 0.0500 . 1 . . . . 44 ILE CG1 . 19008 1 459 . 1 1 44 44 ILE CG2 C 13 19.764 0.0500 . 1 . . . . 44 ILE CG2 . 19008 1 460 . 1 1 44 44 ILE CD1 C 13 14.198 0.0500 . 1 . . . . 44 ILE CD1 . 19008 1 461 . 1 1 44 44 ILE N N 15 123.423 0.0500 . 1 . . . . 44 ILE N . 19008 1 462 . 1 1 45 45 GLN H H 1 8.363 0.0050 . 1 . . . . 45 GLN H . 19008 1 463 . 1 1 45 45 GLN HA H 1 4.278 0.0050 . 1 . . . . 45 GLN HA . 19008 1 464 . 1 1 45 45 GLN HB2 H 1 2.258 0.0050 . 1 . . . . 45 GLN HB2 . 19008 1 465 . 1 1 45 45 GLN HG2 H 1 2.611 0.0050 . 1 . . . . 45 GLN HG2 . 19008 1 466 . 1 1 45 45 GLN C C 13 178.267 0.0500 . 1 . . . . 45 GLN C . 19008 1 467 . 1 1 45 45 GLN CA C 13 61.111 0.0500 . 1 . . . . 45 GLN CA . 19008 1 468 . 1 1 45 45 GLN CB C 13 29.374 0.0500 . 1 . . . . 45 GLN CB . 19008 1 469 . 1 1 45 45 GLN CG C 13 35.997 0.0500 . 1 . . . . 45 GLN CG . 19008 1 470 . 1 1 45 45 GLN N N 15 120.799 0.0500 . 1 . . . . 45 GLN N . 19008 1 471 . 1 1 46 46 PHE H H 1 7.918 0.0050 . 1 . . . . 46 PHE H . 19008 1 472 . 1 1 46 46 PHE HA H 1 4.286 0.0050 . 1 . . . . 46 PHE HA . 19008 1 473 . 1 1 46 46 PHE HB2 H 1 3.595 0.0050 . 1 . . . . 46 PHE HB2 . 19008 1 474 . 1 1 46 46 PHE HD1 H 1 7.42 0.0050 . 1 . . . . 46 PHE HD1 . 19008 1 475 . 1 1 46 46 PHE HE1 H 1 7.236 0.0050 . 1 . . . . 46 PHE HE1 . 19008 1 476 . 1 1 46 46 PHE C C 13 176.466 0.0500 . 1 . . . . 46 PHE C . 19008 1 477 . 1 1 46 46 PHE CA C 13 62.593 0.0500 . 1 . . . . 46 PHE CA . 19008 1 478 . 1 1 46 46 PHE CB C 13 40.145 0.0500 . 1 . . . . 46 PHE CB . 19008 1 479 . 1 1 46 46 PHE CD1 C 13 134.398 0.0500 . 1 . . . . 46 PHE CD1 . 19008 1 480 . 1 1 46 46 PHE CE1 C 13 131.898 0.0500 . 1 . . . . 46 PHE CE1 . 19008 1 481 . 1 1 46 46 PHE N N 15 121.206 0.0500 . 1 . . . . 46 PHE N . 19008 1 482 . 1 1 47 47 LEU H H 1 8.194 0.0050 . 1 . . . . 47 LEU H . 19008 1 483 . 1 1 47 47 LEU HA H 1 3.865 0.0050 . 1 . . . . 47 LEU HA . 19008 1 484 . 1 1 47 47 LEU HB2 H 1 2.292 0.0050 . 1 . . . . 47 LEU HB2 . 19008 1 485 . 1 1 47 47 LEU HG H 1 2.183 0.0050 . 1 . . . . 47 LEU HG . 19008 1 486 . 1 1 47 47 LEU HD11 H 1 1.063 0.0050 . 1 . . . . 47 LEU HD11 . 19008 1 487 . 1 1 47 47 LEU HD12 H 1 1.063 0.0050 . 1 . . . . 47 LEU HD11 . 19008 1 488 . 1 1 47 47 LEU HD13 H 1 1.063 0.0050 . 1 . . . . 47 LEU HD11 . 19008 1 489 . 1 1 47 47 LEU HD21 H 1 1.038 0.0050 . 1 . . . . 47 LEU HD21 . 19008 1 490 . 1 1 47 47 LEU HD22 H 1 1.038 0.0050 . 1 . . . . 47 LEU HD21 . 19008 1 491 . 1 1 47 47 LEU HD23 H 1 1.038 0.0050 . 1 . . . . 47 LEU HD21 . 19008 1 492 . 1 1 47 47 LEU C C 13 179.504 0.0500 . 1 . . . . 47 LEU C . 19008 1 493 . 1 1 47 47 LEU CA C 13 59.361 0.0500 . 1 . . . . 47 LEU CA . 19008 1 494 . 1 1 47 47 LEU CB C 13 43.494 0.0500 . 1 . . . . 47 LEU CB . 19008 1 495 . 1 1 47 47 LEU CG C 13 28.553 0.0500 . 1 . . . . 47 LEU CG . 19008 1 496 . 1 1 47 47 LEU CD1 C 13 27.967 0.0500 . 1 . . . . 47 LEU CD1 . 19008 1 497 . 1 1 47 47 LEU CD2 C 13 24.745 0.0500 . 1 . . . . 47 LEU CD2 . 19008 1 498 . 1 1 47 47 LEU N N 15 119.39 0.0500 . 1 . . . . 47 LEU N . 19008 1 499 . 1 1 48 48 GLU H H 1 9.151 0.0050 . 1 . . . . 48 GLU H . 19008 1 500 . 1 1 48 48 GLU HA H 1 3.893 0.0050 . 1 . . . . 48 GLU HA . 19008 1 501 . 1 1 48 48 GLU HB2 H 1 2.366 0.0050 . 1 . . . . 48 GLU HB2 . 19008 1 502 . 1 1 48 48 GLU HG2 H 1 2.647 0.0050 . 1 . . . . 48 GLU HG2 . 19008 1 503 . 1 1 48 48 GLU C C 13 179.112 0.0500 . 1 . . . . 48 GLU C . 19008 1 504 . 1 1 48 48 GLU CA C 13 61.295 0.0500 . 1 . . . . 48 GLU CA . 19008 1 505 . 1 1 48 48 GLU CB C 13 31.19 0.0500 . 1 . . . . 48 GLU CB . 19008 1 506 . 1 1 48 48 GLU CG C 13 38.448 0.0500 . 1 . . . . 48 GLU CG . 19008 1 507 . 1 1 48 48 GLU N N 15 121.898 0.0500 . 1 . . . . 48 GLU N . 19008 1 508 . 1 1 49 49 LYS H H 1 7.832 0.0050 . 1 . . . . 49 LYS H . 19008 1 509 . 1 1 49 49 LYS HA H 1 4.19 0.0050 . 1 . . . . 49 LYS HA . 19008 1 510 . 1 1 49 49 LYS HB2 H 1 2.14 0.0050 . 1 . . . . 49 LYS HB2 . 19008 1 511 . 1 1 49 49 LYS HG2 H 1 1.843 0.0050 . 1 . . . . 49 LYS HG2 . 19008 1 512 . 1 1 49 49 LYS HD2 H 1 1.75 0.0050 . 1 . . . . 49 LYS HD2 . 19008 1 513 . 1 1 49 49 LYS HE2 H 1 3.096 0.0050 . 1 . . . . 49 LYS HE2 . 19008 1 514 . 1 1 49 49 LYS C C 13 179.259 0.0500 . 1 . . . . 49 LYS C . 19008 1 515 . 1 1 49 49 LYS CA C 13 60.787 0.0500 . 1 . . . . 49 LYS CA . 19008 1 516 . 1 1 49 49 LYS CB C 13 33.827 0.0500 . 1 . . . . 49 LYS CB . 19008 1 517 . 1 1 49 49 LYS CG C 13 27.248 0.0500 . 1 . . . . 49 LYS CG . 19008 1 518 . 1 1 49 49 LYS CD C 13 30.274 0.0500 . 1 . . . . 49 LYS CD . 19008 1 519 . 1 1 49 49 LYS CE C 13 43.588 0.0500 . 1 . . . . 49 LYS CE . 19008 1 520 . 1 1 49 49 LYS N N 15 120.525 0.0500 . 1 . . . . 49 LYS N . 19008 1 521 . 1 1 50 50 VAL H H 1 8.012 0.0050 . 1 . . . . 50 VAL H . 19008 1 522 . 1 1 50 50 VAL HA H 1 3.608 0.0050 . 1 . . . . 50 VAL HA . 19008 1 523 . 1 1 50 50 VAL HB H 1 1.79 0.0050 . 1 . . . . 50 VAL HB . 19008 1 524 . 1 1 50 50 VAL HG11 H 1 0.581 0.0050 . 1 . . . . 50 VAL HG11 . 19008 1 525 . 1 1 50 50 VAL HG12 H 1 0.581 0.0050 . 1 . . . . 50 VAL HG11 . 19008 1 526 . 1 1 50 50 VAL HG13 H 1 0.581 0.0050 . 1 . . . . 50 VAL HG11 . 19008 1 527 . 1 1 50 50 VAL HG21 H 1 0.757 0.0050 . 1 . . . . 50 VAL HG21 . 19008 1 528 . 1 1 50 50 VAL HG22 H 1 0.757 0.0050 . 1 . . . . 50 VAL HG21 . 19008 1 529 . 1 1 50 50 VAL HG23 H 1 0.757 0.0050 . 1 . . . . 50 VAL HG21 . 19008 1 530 . 1 1 50 50 VAL C C 13 177.378 0.0500 . 1 . . . . 50 VAL C . 19008 1 531 . 1 1 50 50 VAL CA C 13 67.518 0.0500 . 1 . . . . 50 VAL CA . 19008 1 532 . 1 1 50 50 VAL CB C 13 33.241 0.0500 . 1 . . . . 50 VAL CB . 19008 1 533 . 1 1 50 50 VAL CG1 C 13 23.866 0.0500 . 1 . . . . 50 VAL CG1 . 19008 1 534 . 1 1 50 50 VAL CG2 C 13 23.484 0.0500 . 1 . . . . 50 VAL CG2 . 19008 1 535 . 1 1 50 50 VAL N N 15 116.43 0.0500 . 1 . . . . 50 VAL N . 19008 1 536 . 1 1 51 51 SER H H 1 8.444 0.0050 . 1 . . . . 51 SER H . 19008 1 537 . 1 1 51 51 SER HA H 1 4.097 0.0050 . 1 . . . . 51 SER HA . 19008 1 538 . 1 1 51 51 SER HB2 H 1 3.97 0.0050 . 1 . . . . 51 SER HB2 . 19008 1 539 . 1 1 51 51 SER C C 13 175.815 0.0500 . 1 . . . . 51 SER C . 19008 1 540 . 1 1 51 51 SER CA C 13 63.596 0.0500 . 1 . . . . 51 SER CA . 19008 1 541 . 1 1 51 51 SER CB C 13 63.782 0.0500 . 1 . . . . 51 SER CB . 19008 1 542 . 1 1 51 51 SER N N 15 117.202 0.0500 . 1 . . . . 51 SER N . 19008 1 543 . 1 1 52 52 ALA H H 1 7.423 0.0050 . 1 . . . . 52 ALA H . 19008 1 544 . 1 1 52 52 ALA HA H 1 4.349 0.0050 . 1 . . . . 52 ALA HA . 19008 1 545 . 1 1 52 52 ALA HB1 H 1 1.652 0.0050 . 1 . . . . 52 ALA HB1 . 19008 1 546 . 1 1 52 52 ALA HB2 H 1 1.652 0.0050 . 1 . . . . 52 ALA HB1 . 19008 1 547 . 1 1 52 52 ALA HB3 H 1 1.652 0.0050 . 1 . . . . 52 ALA HB1 . 19008 1 548 . 1 1 52 52 ALA C C 13 180.18 0.0500 . 1 . . . . 52 ALA C . 19008 1 549 . 1 1 52 52 ALA CA C 13 56.385 0.0500 . 1 . . . . 52 ALA CA . 19008 1 550 . 1 1 52 52 ALA CB C 13 19.463 0.0500 . 1 . . . . 52 ALA CB . 19008 1 551 . 1 1 52 52 ALA N N 15 122.238 0.0500 . 1 . . . . 52 ALA N . 19008 1 552 . 1 1 53 53 VAL H H 1 7.251 0.0050 . 1 . . . . 53 VAL H . 19008 1 553 . 1 1 53 53 VAL HA H 1 4.054 0.0050 . 1 . . . . 53 VAL HA . 19008 1 554 . 1 1 53 53 VAL HB H 1 2.118 0.0050 . 1 . . . . 53 VAL HB . 19008 1 555 . 1 1 53 53 VAL HG11 H 1 0.968 0.0050 . 1 . . . . 53 VAL HG11 . 19008 1 556 . 1 1 53 53 VAL HG12 H 1 0.968 0.0050 . 1 . . . . 53 VAL HG11 . 19008 1 557 . 1 1 53 53 VAL HG13 H 1 0.968 0.0050 . 1 . . . . 53 VAL HG11 . 19008 1 558 . 1 1 53 53 VAL HG21 H 1 1.08 0.0050 . 1 . . . . 53 VAL HG21 . 19008 1 559 . 1 1 53 53 VAL HG22 H 1 1.08 0.0050 . 1 . . . . 53 VAL HG21 . 19008 1 560 . 1 1 53 53 VAL HG23 H 1 1.08 0.0050 . 1 . . . . 53 VAL HG21 . 19008 1 561 . 1 1 53 53 VAL C C 13 176.603 0.0500 . 1 . . . . 53 VAL C . 19008 1 562 . 1 1 53 53 VAL CA C 13 65.708 0.0500 . 1 . . . . 53 VAL CA . 19008 1 563 . 1 1 53 53 VAL CB C 13 33.47 0.0500 . 1 . . . . 53 VAL CB . 19008 1 564 . 1 1 53 53 VAL CG1 C 13 24.452 0.0500 . 1 . . . . 53 VAL CG1 . 19008 1 565 . 1 1 53 53 VAL CG2 C 13 23.794 0.0500 . 1 . . . . 53 VAL CG2 . 19008 1 566 . 1 1 53 53 VAL N N 15 115.853 0.0500 . 1 . . . . 53 VAL N . 19008 1 567 . 1 1 54 54 LEU H H 1 7.853 0.0050 . 1 . . . . 54 LEU H . 19008 1 568 . 1 1 54 54 LEU HA H 1 4.264 0.0050 . 1 . . . . 54 LEU HA . 19008 1 569 . 1 1 54 54 LEU HB2 H 1 1.829 0.0050 . 1 . . . . 54 LEU HB2 . 19008 1 570 . 1 1 54 54 LEU HG H 1 2.01 0.0050 . 1 . . . . 54 LEU HG . 19008 1 571 . 1 1 54 54 LEU HD11 H 1 0.929 0.0050 . 1 . . . . 54 LEU HD11 . 19008 1 572 . 1 1 54 54 LEU HD12 H 1 0.929 0.0050 . 1 . . . . 54 LEU HD11 . 19008 1 573 . 1 1 54 54 LEU HD13 H 1 0.929 0.0050 . 1 . . . . 54 LEU HD11 . 19008 1 574 . 1 1 54 54 LEU HD21 H 1 0.952 0.0050 . 1 . . . . 54 LEU HD21 . 19008 1 575 . 1 1 54 54 LEU HD22 H 1 0.952 0.0050 . 1 . . . . 54 LEU HD21 . 19008 1 576 . 1 1 54 54 LEU HD23 H 1 0.952 0.0050 . 1 . . . . 54 LEU HD21 . 19008 1 577 . 1 1 54 54 LEU C C 13 174.271 0.0500 . 1 . . . . 54 LEU C . 19008 1 578 . 1 1 54 54 LEU CA C 13 56.17 0.0500 . 1 . . . . 54 LEU CA . 19008 1 579 . 1 1 54 54 LEU CB C 13 44.188 0.0500 . 1 . . . . 54 LEU CB . 19008 1 580 . 1 1 54 54 LEU CG C 13 27.381 0.0500 . 1 . . . . 54 LEU CG . 19008 1 581 . 1 1 54 54 LEU CD1 C 13 27.674 0.0500 . 1 . . . . 54 LEU CD1 . 19008 1 582 . 1 1 54 54 LEU CD2 C 13 24.287 0.0500 . 1 . . . . 54 LEU CD2 . 19008 1 583 . 1 1 54 54 LEU N N 15 117.44 0.0500 . 1 . . . . 54 LEU N . 19008 1 584 . 1 1 55 55 ASP H H 1 7.969 0.0050 . 1 . . . . 55 ASP H . 19008 1 585 . 1 1 55 55 ASP HA H 1 4.403 0.0050 . 1 . . . . 55 ASP HA . 19008 1 586 . 1 1 55 55 ASP HB2 H 1 3.223 0.0050 . 1 . . . . 55 ASP HB2 . 19008 1 587 . 1 1 55 55 ASP C C 13 174.436 0.0500 . 1 . . . . 55 ASP C . 19008 1 588 . 1 1 55 55 ASP CA C 13 56.971 0.0500 . 1 . . . . 55 ASP CA . 19008 1 589 . 1 1 55 55 ASP CB C 13 41.151 0.0500 . 1 . . . . 55 ASP CB . 19008 1 590 . 1 1 55 55 ASP N N 15 116.779 0.0500 . 1 . . . . 55 ASP N . 19008 1 591 . 1 1 56 56 VAL H H 1 7.675 0.0050 . 1 . . . . 56 VAL H . 19008 1 592 . 1 1 56 56 VAL HA H 1 4.614 0.0050 . 1 . . . . 56 VAL HA . 19008 1 593 . 1 1 56 56 VAL HB H 1 1.795 0.0050 . 1 . . . . 56 VAL HB . 19008 1 594 . 1 1 56 56 VAL HG11 H 1 0.498 0.0050 . 1 . . . . 56 VAL HG11 . 19008 1 595 . 1 1 56 56 VAL HG12 H 1 0.498 0.0050 . 1 . . . . 56 VAL HG11 . 19008 1 596 . 1 1 56 56 VAL HG13 H 1 0.498 0.0050 . 1 . . . . 56 VAL HG11 . 19008 1 597 . 1 1 56 56 VAL HG21 H 1 0.462 0.0050 . 1 . . . . 56 VAL HG21 . 19008 1 598 . 1 1 56 56 VAL HG22 H 1 0.462 0.0050 . 1 . . . . 56 VAL HG21 . 19008 1 599 . 1 1 56 56 VAL HG23 H 1 0.462 0.0050 . 1 . . . . 56 VAL HG21 . 19008 1 600 . 1 1 56 56 VAL C C 13 174.376 0.0500 . 1 . . . . 56 VAL C . 19008 1 601 . 1 1 56 56 VAL CA C 13 60.326 0.0500 . 1 . . . . 56 VAL CA . 19008 1 602 . 1 1 56 56 VAL CB C 13 36.756 0.0500 . 1 . . . . 56 VAL CB . 19008 1 603 . 1 1 56 56 VAL CG1 C 13 20.11 0.0500 . 1 . . . . 56 VAL CG1 . 19008 1 604 . 1 1 56 56 VAL CG2 C 13 22.205 0.0500 . 1 . . . . 56 VAL CG2 . 19008 1 605 . 1 1 56 56 VAL N N 15 112.231 0.0500 . 1 . . . . 56 VAL N . 19008 1 606 . 1 1 57 57 SER H H 1 8.342 0.0050 . 1 . . . . 57 SER H . 19008 1 607 . 1 1 57 57 SER HA H 1 4.602 0.0050 . 1 . . . . 57 SER HA . 19008 1 608 . 1 1 57 57 SER HB2 H 1 4.282 0.0050 . 1 . . . . 57 SER HB2 . 19008 1 609 . 1 1 57 57 SER C C 13 175.637 0.0500 . 1 . . . . 57 SER C . 19008 1 610 . 1 1 57 57 SER CA C 13 58.593 0.0500 . 1 . . . . 57 SER CA . 19008 1 611 . 1 1 57 57 SER CB C 13 65.76 0.0500 . 1 . . . . 57 SER CB . 19008 1 612 . 1 1 57 57 SER N N 15 118.018 0.0500 . 1 . . . . 57 SER N . 19008 1 613 . 1 1 58 58 VAL H H 1 9.018 0.0050 . 1 . . . . 58 VAL H . 19008 1 614 . 1 1 58 58 VAL HA H 1 3.689 0.0050 . 1 . . . . 58 VAL HA . 19008 1 615 . 1 1 58 58 VAL HB H 1 2.122 0.0050 . 1 . . . . 58 VAL HB . 19008 1 616 . 1 1 58 58 VAL HG11 H 1 0.949 0.0050 . 1 . . . . 58 VAL HG11 . 19008 1 617 . 1 1 58 58 VAL HG12 H 1 0.949 0.0050 . 1 . . . . 58 VAL HG11 . 19008 1 618 . 1 1 58 58 VAL HG13 H 1 0.949 0.0050 . 1 . . . . 58 VAL HG11 . 19008 1 619 . 1 1 58 58 VAL HG21 H 1 1.068 0.0050 . 1 . . . . 58 VAL HG21 . 19008 1 620 . 1 1 58 58 VAL HG22 H 1 1.068 0.0050 . 1 . . . . 58 VAL HG21 . 19008 1 621 . 1 1 58 58 VAL HG23 H 1 1.068 0.0050 . 1 . . . . 58 VAL HG21 . 19008 1 622 . 1 1 58 58 VAL C C 13 177.338 0.0500 . 1 . . . . 58 VAL C . 19008 1 623 . 1 1 58 58 VAL CA C 13 68.21 0.0500 . 1 . . . . 58 VAL CA . 19008 1 624 . 1 1 58 58 VAL CB C 13 33.168 0.0500 . 1 . . . . 58 VAL CB . 19008 1 625 . 1 1 58 58 VAL CG1 C 13 22.694 0.0500 . 1 . . . . 58 VAL CG1 . 19008 1 626 . 1 1 58 58 VAL CG2 C 13 24.451 0.0500 . 1 . . . . 58 VAL CG2 . 19008 1 627 . 1 1 58 58 VAL N N 15 125.168 0.0500 . 1 . . . . 58 VAL N . 19008 1 628 . 1 1 59 59 HIS H H 1 8.146 0.0050 . 1 . . . . 59 HIS H . 19008 1 629 . 1 1 59 59 HIS HA H 1 4.304 0.0050 . 1 . . . . 59 HIS HA . 19008 1 630 . 1 1 59 59 HIS HB2 H 1 3.278 0.0050 . 1 . . . . 59 HIS HB2 . 19008 1 631 . 1 1 59 59 HIS HD2 H 1 7.238 0.0050 . 1 . . . . 59 HIS HD2 . 19008 1 632 . 1 1 59 59 HIS C C 13 176.68 0.0500 . 1 . . . . 59 HIS C . 19008 1 633 . 1 1 59 59 HIS CA C 13 60.822 0.0500 . 1 . . . . 59 HIS CA . 19008 1 634 . 1 1 59 59 HIS CB C 13 30.702 0.0500 . 1 . . . . 59 HIS CB . 19008 1 635 . 1 1 59 59 HIS CD2 C 13 121.28 0.0500 . 1 . . . . 59 HIS CD2 . 19008 1 636 . 1 1 59 59 HIS N N 15 116.832 0.0500 . 1 . . . . 59 HIS N . 19008 1 637 . 1 1 60 60 THR H H 1 7.834 0.0050 . 1 . . . . 60 THR H . 19008 1 638 . 1 1 60 60 THR HA H 1 4.125 0.0050 . 1 . . . . 60 THR HA . 19008 1 639 . 1 1 60 60 THR HB H 1 4.315 0.0050 . 1 . . . . 60 THR HB . 19008 1 640 . 1 1 60 60 THR HG21 H 1 1.254 0.0050 . 1 . . . . 60 THR HG21 . 19008 1 641 . 1 1 60 60 THR HG22 H 1 1.254 0.0050 . 1 . . . . 60 THR HG21 . 19008 1 642 . 1 1 60 60 THR HG23 H 1 1.254 0.0050 . 1 . . . . 60 THR HG21 . 19008 1 643 . 1 1 60 60 THR C C 13 176.001 0.0500 . 1 . . . . 60 THR C . 19008 1 644 . 1 1 60 60 THR CA C 13 67.125 0.0500 . 1 . . . . 60 THR CA . 19008 1 645 . 1 1 60 60 THR CB C 13 69.922 0.0500 . 1 . . . . 60 THR CB . 19008 1 646 . 1 1 60 60 THR CG2 C 13 23.866 0.0500 . 1 . . . . 60 THR CG2 . 19008 1 647 . 1 1 60 60 THR N N 15 117.446 0.0500 . 1 . . . . 60 THR N . 19008 1 648 . 1 1 61 61 LEU H H 1 7.643 0.0050 . 1 . . . . 61 LEU H . 19008 1 649 . 1 1 61 61 LEU HA H 1 4.148 0.0050 . 1 . . . . 61 LEU HA . 19008 1 650 . 1 1 61 61 LEU HB2 H 1 2.099 0.0050 . 1 . . . . 61 LEU HB2 . 19008 1 651 . 1 1 61 61 LEU HG H 1 1.822 0.0050 . 1 . . . . 61 LEU HG . 19008 1 652 . 1 1 61 61 LEU HD11 H 1 0.849 0.0050 . 1 . . . . 61 LEU HD11 . 19008 1 653 . 1 1 61 61 LEU HD12 H 1 0.849 0.0050 . 1 . . . . 61 LEU HD11 . 19008 1 654 . 1 1 61 61 LEU HD13 H 1 0.849 0.0050 . 1 . . . . 61 LEU HD11 . 19008 1 655 . 1 1 61 61 LEU HD21 H 1 0.798 0.0050 . 1 . . . . 61 LEU HD21 . 19008 1 656 . 1 1 61 61 LEU HD22 H 1 0.798 0.0050 . 1 . . . . 61 LEU HD21 . 19008 1 657 . 1 1 61 61 LEU HD23 H 1 0.798 0.0050 . 1 . . . . 61 LEU HD21 . 19008 1 658 . 1 1 61 61 LEU C C 13 176.764 0.0500 . 1 . . . . 61 LEU C . 19008 1 659 . 1 1 61 61 LEU CA C 13 58.779 0.0500 . 1 . . . . 61 LEU CA . 19008 1 660 . 1 1 61 61 LEU CB C 13 43.284 0.0500 . 1 . . . . 61 LEU CB . 19008 1 661 . 1 1 61 61 LEU CG C 13 27.905 0.0500 . 1 . . . . 61 LEU CG . 19008 1 662 . 1 1 61 61 LEU CD1 C 13 27.741 0.0500 . 1 . . . . 61 LEU CD1 . 19008 1 663 . 1 1 61 61 LEU CD2 C 13 24.745 0.0500 . 1 . . . . 61 LEU CD2 . 19008 1 664 . 1 1 61 61 LEU N N 15 120.139 0.0500 . 1 . . . . 61 LEU N . 19008 1 665 . 1 1 62 62 LEU H H 1 7.734 0.0050 . 1 . . . . 62 LEU H . 19008 1 666 . 1 1 62 62 LEU HA H 1 4.296 0.0050 . 1 . . . . 62 LEU HA . 19008 1 667 . 1 1 62 62 LEU HB2 H 1 1.802 0.0050 . 1 . . . . 62 LEU HB2 . 19008 1 668 . 1 1 62 62 LEU HG H 1 1.817 0.0050 . 1 . . . . 62 LEU HG . 19008 1 669 . 1 1 62 62 LEU HD11 H 1 0.927 0.0050 . 1 . . . . 62 LEU HD11 . 19008 1 670 . 1 1 62 62 LEU HD12 H 1 0.927 0.0050 . 1 . . . . 62 LEU HD11 . 19008 1 671 . 1 1 62 62 LEU HD13 H 1 0.927 0.0050 . 1 . . . . 62 LEU HD11 . 19008 1 672 . 1 1 62 62 LEU HD21 H 1 0.969 0.0050 . 1 . . . . 62 LEU HD21 . 19008 1 673 . 1 1 62 62 LEU HD22 H 1 0.969 0.0050 . 1 . . . . 62 LEU HD21 . 19008 1 674 . 1 1 62 62 LEU HD23 H 1 0.969 0.0050 . 1 . . . . 62 LEU HD21 . 19008 1 675 . 1 1 62 62 LEU C C 13 176.952 0.0500 . 1 . . . . 62 LEU C . 19008 1 676 . 1 1 62 62 LEU CA C 13 57.073 0.0500 . 1 . . . . 62 LEU CA . 19008 1 677 . 1 1 62 62 LEU CB C 13 45.011 0.0500 . 1 . . . . 62 LEU CB . 19008 1 678 . 1 1 62 62 LEU CG C 13 28.553 0.0500 . 1 . . . . 62 LEU CG . 19008 1 679 . 1 1 62 62 LEU CD1 C 13 26.795 0.0500 . 1 . . . . 62 LEU CD1 . 19008 1 680 . 1 1 62 62 LEU CD2 C 13 24.546 0.0500 . 1 . . . . 62 LEU CD2 . 19008 1 681 . 1 1 62 62 LEU N N 15 116.514 0.0500 . 1 . . . . 62 LEU N . 19008 1 682 . 1 1 63 63 ASP H H 1 7.84 0.0050 . 1 . . . . 63 ASP H . 19008 1 683 . 1 1 63 63 ASP HA H 1 4.599 0.0050 . 1 . . . . 63 ASP HA . 19008 1 684 . 1 1 63 63 ASP HB2 H 1 2.939 0.0050 . 1 . . . . 63 ASP HB2 . 19008 1 685 . 1 1 63 63 ASP C C 13 175.724 0.0500 . 1 . . . . 63 ASP C . 19008 1 686 . 1 1 63 63 ASP CA C 13 56.387 0.0500 . 1 . . . . 63 ASP CA . 19008 1 687 . 1 1 63 63 ASP CB C 13 42.616 0.0500 . 1 . . . . 63 ASP CB . 19008 1 688 . 1 1 63 63 ASP N N 15 120.023 0.0500 . 1 . . . . 63 ASP N . 19008 1 689 . 1 1 64 64 GLU H H 1 8.413 0.0050 . 1 . . . . 64 GLU H . 19008 1 690 . 1 1 64 64 GLU HA H 1 4.414 0.0050 . 1 . . . . 64 GLU HA . 19008 1 691 . 1 1 64 64 GLU HB2 H 1 2.209 0.0050 . 1 . . . . 64 GLU HB2 . 19008 1 692 . 1 1 64 64 GLU HG2 H 1 2.384 0.0050 . 1 . . . . 64 GLU HG2 . 19008 1 693 . 1 1 64 64 GLU C C 13 176.216 0.0500 . 1 . . . . 64 GLU C . 19008 1 694 . 1 1 64 64 GLU CA C 13 57.778 0.0500 . 1 . . . . 64 GLU CA . 19008 1 695 . 1 1 64 64 GLU CB C 13 31.877 0.0500 . 1 . . . . 64 GLU CB . 19008 1 696 . 1 1 64 64 GLU CG C 13 37.325 0.0500 . 1 . . . . 64 GLU CG . 19008 1 697 . 1 1 64 64 GLU N N 15 122.739 0.0500 . 1 . . . . 64 GLU N . 19008 1 698 . 1 1 65 65 LYS H H 1 8.422 0.0050 . 1 . . . . 65 LYS H . 19008 1 699 . 1 1 65 65 LYS HA H 1 4.403 0.0050 . 1 . . . . 65 LYS HA . 19008 1 700 . 1 1 65 65 LYS HB2 H 1 1.924 0.0050 . 1 . . . . 65 LYS HB2 . 19008 1 701 . 1 1 65 65 LYS HG2 H 1 1.548 0.0050 . 1 . . . . 65 LYS HG2 . 19008 1 702 . 1 1 65 65 LYS HD2 H 1 1.807 0.0050 . 1 . . . . 65 LYS HD2 . 19008 1 703 . 1 1 65 65 LYS HE2 H 1 3.114 0.0050 . 1 . . . . 65 LYS HE2 . 19008 1 704 . 1 1 65 65 LYS C C 13 176.022 0.0500 . 1 . . . . 65 LYS C . 19008 1 705 . 1 1 65 65 LYS CA C 13 57.335 0.0500 . 1 . . . . 65 LYS CA . 19008 1 706 . 1 1 65 65 LYS CB C 13 34.32 0.0500 . 1 . . . . 65 LYS CB . 19008 1 707 . 1 1 65 65 LYS CG C 13 26.261 0.0500 . 1 . . . . 65 LYS CG . 19008 1 708 . 1 1 65 65 LYS CD C 13 30.128 0.0500 . 1 . . . . 65 LYS CD . 19008 1 709 . 1 1 65 65 LYS CE C 13 43.311 0.0500 . 1 . . . . 65 LYS CE . 19008 1 710 . 1 1 65 65 LYS N N 15 122.422 0.0500 . 1 . . . . 65 LYS N . 19008 1 711 . 1 1 66 66 HIS H H 1 8.578 0.0050 . 1 . . . . 66 HIS H . 19008 1 712 . 1 1 66 66 HIS HA H 1 4.797 0.0050 . 1 . . . . 66 HIS HA . 19008 1 713 . 1 1 66 66 HIS HB2 H 1 3.35 0.0050 . 1 . . . . 66 HIS HB2 . 19008 1 714 . 1 1 66 66 HIS HD2 H 1 7.311 0.0050 . 1 . . . . 66 HIS HD2 . 19008 1 715 . 1 1 66 66 HIS C C 13 174.362 0.0500 . 1 . . . . 66 HIS C . 19008 1 716 . 1 1 66 66 HIS CA C 13 56.921 0.0500 . 1 . . . . 66 HIS CA . 19008 1 717 . 1 1 66 66 HIS CB C 13 31.359 0.0500 . 1 . . . . 66 HIS CB . 19008 1 718 . 1 1 66 66 HIS CD2 C 13 121.766 0.0500 . 1 . . . . 66 HIS CD2 . 19008 1 719 . 1 1 66 66 HIS N N 15 121.105 0.0500 . 1 . . . . 66 HIS N . 19008 1 720 . 1 1 67 67 GLU H H 1 8.668 0.0050 . 1 . . . . 67 GLU H . 19008 1 721 . 1 1 67 67 GLU HA H 1 4.496 0.0050 . 1 . . . . 67 GLU HA . 19008 1 722 . 1 1 67 67 GLU HB2 H 1 2.21 0.0050 . 1 . . . . 67 GLU HB2 . 19008 1 723 . 1 1 67 67 GLU HG2 H 1 2.385 0.0050 . 1 . . . . 67 GLU HG2 . 19008 1 724 . 1 1 67 67 GLU C C 13 176.245 0.0500 . 1 . . . . 67 GLU C . 19008 1 725 . 1 1 67 67 GLU CA C 13 58.247 0.0500 . 1 . . . . 67 GLU CA . 19008 1 726 . 1 1 67 67 GLU CB C 13 32.017 0.0500 . 1 . . . . 67 GLU CB . 19008 1 727 . 1 1 67 67 GLU CG C 13 37.938 0.0500 . 1 . . . . 67 GLU CG . 19008 1 728 . 1 1 67 67 GLU N N 15 123.24 0.0500 . 1 . . . . 67 GLU N . 19008 1 729 . 1 1 68 68 THR H H 1 8.311 0.0050 . 1 . . . . 68 THR H . 19008 1 730 . 1 1 68 68 THR HA H 1 4.493 0.0050 . 1 . . . . 68 THR HA . 19008 1 731 . 1 1 68 68 THR HB H 1 4.389 0.0050 . 1 . . . . 68 THR HB . 19008 1 732 . 1 1 68 68 THR HG21 H 1 1.321 0.0050 . 1 . . . . 68 THR HG21 . 19008 1 733 . 1 1 68 68 THR HG22 H 1 1.321 0.0050 . 1 . . . . 68 THR HG21 . 19008 1 734 . 1 1 68 68 THR HG23 H 1 1.321 0.0050 . 1 . . . . 68 THR HG21 . 19008 1 735 . 1 1 68 68 THR C C 13 173.405 0.0500 . 1 . . . . 68 THR C . 19008 1 736 . 1 1 68 68 THR CA C 13 63.097 0.0500 . 1 . . . . 68 THR CA . 19008 1 737 . 1 1 68 68 THR CB C 13 71.338 0.0500 . 1 . . . . 68 THR CB . 19008 1 738 . 1 1 68 68 THR CG2 C 13 23.136 0.0500 . 1 . . . . 68 THR CG2 . 19008 1 739 . 1 1 68 68 THR N N 15 115.221 0.0500 . 1 . . . . 68 THR N . 19008 1 740 . 1 1 69 69 GLU H H 1 8.496 0.0050 . 1 . . . . 69 GLU H . 19008 1 741 . 1 1 69 69 GLU HA H 1 4.415 0.0050 . 1 . . . . 69 GLU HA . 19008 1 742 . 1 1 69 69 GLU HB2 H 1 2.136 0.0050 . 1 . . . . 69 GLU HB2 . 19008 1 743 . 1 1 69 69 GLU HG2 H 1 2.407 0.0050 . 1 . . . . 69 GLU HG2 . 19008 1 744 . 1 1 69 69 GLU C C 13 176.26 0.0500 . 1 . . . . 69 GLU C . 19008 1 745 . 1 1 69 69 GLU CA C 13 57.461 0.0500 . 1 . . . . 69 GLU CA . 19008 1 746 . 1 1 69 69 GLU CB C 13 30.73 0.0500 . 1 . . . . 69 GLU CB . 19008 1 747 . 1 1 69 69 GLU CG C 13 36.74 0.0500 . 1 . . . . 69 GLU CG . 19008 1 748 . 1 1 69 69 GLU N N 15 123.68 0.0500 . 1 . . . . 69 GLU N . 19008 1 749 . 1 1 70 70 TYR H H 1 8.248 0.0050 . 1 . . . . 70 TYR H . 19008 1 750 . 1 1 70 70 TYR HA H 1 4.73 0.0050 . 1 . . . . 70 TYR HA . 19008 1 751 . 1 1 70 70 TYR HB2 H 1 3.2 0.0050 . 1 . . . . 70 TYR HB2 . 19008 1 752 . 1 1 70 70 TYR HD1 H 1 7.295 0.0050 . 1 . . . . 70 TYR HD1 . 19008 1 753 . 1 1 70 70 TYR HE1 H 1 6.98 0.0050 . 1 . . . . 70 TYR HE1 . 19008 1 754 . 1 1 70 70 TYR C C 13 175.67 0.0500 . 1 . . . . 70 TYR C . 19008 1 755 . 1 1 70 70 TYR CA C 13 58.557 0.0500 . 1 . . . . 70 TYR CA . 19008 1 756 . 1 1 70 70 TYR CB C 13 39.5 0.0500 . 1 . . . . 70 TYR CB . 19008 1 757 . 1 1 70 70 TYR CD1 C 13 133.593 0.0500 . 1 . . . . 70 TYR CD1 . 19008 1 758 . 1 1 70 70 TYR CE1 C 13 118.474 0.0500 . 1 . . . . 70 TYR CE1 . 19008 1 759 . 1 1 70 70 TYR N N 15 121.619 0.0500 . 1 . . . . 70 TYR N . 19008 1 760 . 1 1 71 71 ASP H H 1 8.301 0.0050 . 1 . . . . 71 ASP H . 19008 1 761 . 1 1 71 71 ASP HA H 1 4.743 0.0050 . 1 . . . . 71 ASP HA . 19008 1 762 . 1 1 71 71 ASP HB2 H 1 2.81 0.0050 . 1 . . . . 71 ASP HB2 . 19008 1 763 . 1 1 71 71 ASP C C 13 176.71 0.0500 . 1 . . . . 71 ASP C . 19008 1 764 . 1 1 71 71 ASP CA C 13 55.234 0.0500 . 1 . . . . 71 ASP CA . 19008 1 765 . 1 1 71 71 ASP CB C 13 42.002 0.0500 . 1 . . . . 71 ASP CB . 19008 1 766 . 1 1 71 71 ASP N N 15 123.538 0.0500 . 1 . . . . 71 ASP N . 19008 1 767 . 1 1 72 72 GLY H H 1 7.785 0.0050 . 1 . . . . 72 GLY H . 19008 1 768 . 1 1 72 72 GLY HA2 H 1 4.166 0.0050 . 1 . . . . 72 GLY HA2 . 19008 1 769 . 1 1 72 72 GLY C C 13 174.13 0.0500 . 1 . . . . 72 GLY C . 19008 1 770 . 1 1 72 72 GLY CA C 13 46 0.0500 . 1 . . . . 72 GLY CA . 19008 1 771 . 1 1 72 72 GLY N N 15 109.092 0.0500 . 1 . . . . 72 GLY N . 19008 1 772 . 1 1 73 73 GLN H H 1 8.251 0.0050 . 1 . . . . 73 GLN H . 19008 1 773 . 1 1 73 73 GLN HA H 1 4.47 0.0050 . 1 . . . . 73 GLN HA . 19008 1 774 . 1 1 73 73 GLN HB2 H 1 2.264 0.0050 . 1 . . . . 73 GLN HB2 . 19008 1 775 . 1 1 73 73 GLN HG2 H 1 2.52 0.0050 . 1 . . . . 73 GLN HG2 . 19008 1 776 . 1 1 73 73 GLN HE21 H 1 7.7 0.0050 . 1 . . . . 73 GLN HE21 . 19008 1 777 . 1 1 73 73 GLN HE22 H 1 6.943 0.0050 . 1 . . . . 73 GLN HE22 . 19008 1 778 . 1 1 73 73 GLN C C 13 176.44 0.0500 . 1 . . . . 73 GLN C . 19008 1 779 . 1 1 73 73 GLN CA C 13 56.62 0.0500 . 1 . . . . 73 GLN CA . 19008 1 780 . 1 1 73 73 GLN CB C 13 30.45 0.0500 . 1 . . . . 73 GLN CB . 19008 1 781 . 1 1 73 73 GLN CG C 13 34.3 0.0500 . 1 . . . . 73 GLN CG . 19008 1 782 . 1 1 73 73 GLN CD C 13 180.053 0.0500 . 1 . . . . 73 GLN CD . 19008 1 783 . 1 1 73 73 GLN N N 15 120.193 0.0500 . 1 . . . . 73 GLN N . 19008 1 784 . 1 1 73 73 GLN NE2 N 15 112.956 0.0500 . 1 . . . . 73 GLN NE2 . 19008 1 785 . 1 1 74 74 LEU H H 1 8.683 0.0050 . 1 . . . . 74 LEU H . 19008 1 786 . 1 1 74 74 LEU HA H 1 4.411 0.0050 . 1 . . . . 74 LEU HA . 19008 1 787 . 1 1 74 74 LEU HB2 H 1 1.953 0.0050 . 1 . . . . 74 LEU HB2 . 19008 1 788 . 1 1 74 74 LEU HG H 1 1.912 0.0050 . 1 . . . . 74 LEU HG . 19008 1 789 . 1 1 74 74 LEU HD11 H 1 1.035 0.0050 . 1 . . . . 74 LEU HD11 . 19008 1 790 . 1 1 74 74 LEU HD12 H 1 1.035 0.0050 . 1 . . . . 74 LEU HD11 . 19008 1 791 . 1 1 74 74 LEU HD13 H 1 1.035 0.0050 . 1 . . . . 74 LEU HD11 . 19008 1 792 . 1 1 74 74 LEU HD21 H 1 0.928 0.0050 . 1 . . . . 74 LEU HD21 . 19008 1 793 . 1 1 74 74 LEU HD22 H 1 0.928 0.0050 . 1 . . . . 74 LEU HD21 . 19008 1 794 . 1 1 74 74 LEU HD23 H 1 0.928 0.0050 . 1 . . . . 74 LEU HD21 . 19008 1 795 . 1 1 74 74 LEU C C 13 176.91 0.0500 . 1 . . . . 74 LEU C . 19008 1 796 . 1 1 74 74 LEU CA C 13 55.713 0.0500 . 1 . . . . 74 LEU CA . 19008 1 797 . 1 1 74 74 LEU CB C 13 43.102 0.0500 . 1 . . . . 74 LEU CB . 19008 1 798 . 1 1 74 74 LEU CG C 13 27.918 0.0500 . 1 . . . . 74 LEU CG . 19008 1 799 . 1 1 74 74 LEU CD1 C 13 26.374 0.0500 . 1 . . . . 74 LEU CD1 . 19008 1 800 . 1 1 74 74 LEU CD2 C 13 24.316 0.0500 . 1 . . . . 74 LEU CD2 . 19008 1 801 . 1 1 74 74 LEU N N 15 123.798 0.0500 . 1 . . . . 74 LEU N . 19008 1 802 . 1 1 75 75 ASP H H 1 7.91 0.0050 . 1 . . . . 75 ASP H . 19008 1 803 . 1 1 75 75 ASP HA H 1 4.83 0.0050 . 1 . . . . 75 ASP HA . 19008 1 804 . 1 1 75 75 ASP HB2 H 1 3.32 0.0050 . 1 . . . . 75 ASP HB2 . 19008 1 805 . 1 1 75 75 ASP C C 13 176.73 0.0500 . 1 . . . . 75 ASP C . 19008 1 806 . 1 1 75 75 ASP CA C 13 54.15 0.0500 . 1 . . . . 75 ASP CA . 19008 1 807 . 1 1 75 75 ASP CB C 13 42.8 0.0500 . 1 . . . . 75 ASP CB . 19008 1 808 . 1 1 75 75 ASP N N 15 122.691 0.0500 . 1 . . . . 75 ASP N . 19008 1 809 . 1 1 76 76 SER H H 1 8.845 0.0050 . 1 . . . . 76 SER H . 19008 1 810 . 1 1 76 76 SER HA H 1 4.46 0.0050 . 1 . . . . 76 SER HA . 19008 1 811 . 1 1 76 76 SER HB2 H 1 4.145 0.0050 . 1 . . . . 76 SER HB2 . 19008 1 812 . 1 1 76 76 SER C C 13 176.97 0.0500 . 1 . . . . 76 SER C . 19008 1 813 . 1 1 76 76 SER CA C 13 62.266 0.0500 . 1 . . . . 76 SER CA . 19008 1 814 . 1 1 76 76 SER CB C 13 63.64 0.0500 . 1 . . . . 76 SER CB . 19008 1 815 . 1 1 76 76 SER N N 15 119.054 0.0500 . 1 . . . . 76 SER N . 19008 1 816 . 1 1 77 77 GLU H H 1 8.434 0.0050 . 1 . . . . 77 GLU H . 19008 1 817 . 1 1 77 77 GLU HA H 1 4.29 0.0050 . 1 . . . . 77 GLU HA . 19008 1 818 . 1 1 77 77 GLU HB2 H 1 2.144 0.0050 . 1 . . . . 77 GLU HB2 . 19008 1 819 . 1 1 77 77 GLU HG2 H 1 2.54 0.0050 . 1 . . . . 77 GLU HG2 . 19008 1 820 . 1 1 77 77 GLU C C 13 179.925 0.0500 . 1 . . . . 77 GLU C . 19008 1 821 . 1 1 77 77 GLU CA C 13 59.566 0.0500 . 1 . . . . 77 GLU CA . 19008 1 822 . 1 1 77 77 GLU CB C 13 29.944 0.0500 . 1 . . . . 77 GLU CB . 19008 1 823 . 1 1 77 77 GLU CG C 13 37 0.0500 . 1 . . . . 77 GLU CG . 19008 1 824 . 1 1 77 77 GLU N N 15 123.388 0.0500 . 1 . . . . 77 GLU N . 19008 1 825 . 1 1 78 78 TRP H H 1 8.685 0.0050 . 1 . . . . 78 TRP H . 19008 1 826 . 1 1 78 78 TRP HA H 1 4.72 0.0050 . 1 . . . . 78 TRP HA . 19008 1 827 . 1 1 78 78 TRP HB2 H 1 3.417 0.0050 . 1 . . . . 78 TRP HB2 . 19008 1 828 . 1 1 78 78 TRP HD1 H 1 7.546 0.0050 . 1 . . . . 78 TRP HD1 . 19008 1 829 . 1 1 78 78 TRP HE1 H 1 10.411 0.0050 . 1 . . . . 78 TRP HE1 . 19008 1 830 . 1 1 78 78 TRP HE3 H 1 7.555 0.0050 . 1 . . . . 78 TRP HE3 . 19008 1 831 . 1 1 78 78 TRP HZ2 H 1 7.534 0.0050 . 1 . . . . 78 TRP HZ2 . 19008 1 832 . 1 1 78 78 TRP C C 13 179.1 0.0500 . 1 . . . . 78 TRP C . 19008 1 833 . 1 1 78 78 TRP CA C 13 62.1 0.0500 . 1 . . . . 78 TRP CA . 19008 1 834 . 1 1 78 78 TRP CB C 13 31.3 0.0500 . 1 . . . . 78 TRP CB . 19008 1 835 . 1 1 78 78 TRP CD1 C 13 127.381 0.0500 . 1 . . . . 78 TRP CD1 . 19008 1 836 . 1 1 78 78 TRP CE3 C 13 120.818 0.0500 . 1 . . . . 78 TRP CE3 . 19008 1 837 . 1 1 78 78 TRP CZ2 C 13 114.49 0.0500 . 1 . . . . 78 TRP CZ2 . 19008 1 838 . 1 1 78 78 TRP N N 15 121.411 0.0500 . 1 . . . . 78 TRP N . 19008 1 839 . 1 1 78 78 TRP NE1 N 15 129.079 0.0500 . 1 . . . . 78 TRP NE1 . 19008 1 840 . 1 1 79 79 GLU H H 1 8.753 0.0050 . 1 . . . . 79 GLU H . 19008 1 841 . 1 1 79 79 GLU HA H 1 3.972 0.0050 . 1 . . . . 79 GLU HA . 19008 1 842 . 1 1 79 79 GLU HB2 H 1 2.276 0.0050 . 1 . . . . 79 GLU HB2 . 19008 1 843 . 1 1 79 79 GLU HG2 H 1 2.524 0.0050 . 1 . . . . 79 GLU HG2 . 19008 1 844 . 1 1 79 79 GLU C C 13 178.1 0.0500 . 1 . . . . 79 GLU C . 19008 1 845 . 1 1 79 79 GLU CA C 13 61.111 0.0500 . 1 . . . . 79 GLU CA . 19008 1 846 . 1 1 79 79 GLU CB C 13 30 0.0500 . 1 . . . . 79 GLU CB . 19008 1 847 . 1 1 79 79 GLU CG C 13 37.285 0.0500 . 1 . . . . 79 GLU CG . 19008 1 848 . 1 1 79 79 GLU N N 15 118.949 0.0500 . 1 . . . . 79 GLU N . 19008 1 849 . 1 1 80 80 LYS H H 1 7.86 0.0050 . 1 . . . . 80 LYS H . 19008 1 850 . 1 1 80 80 LYS HA H 1 4.109 0.0050 . 1 . . . . 80 LYS HA . 19008 1 851 . 1 1 80 80 LYS HB2 H 1 2.154 0.0050 . 1 . . . . 80 LYS HB2 . 19008 1 852 . 1 1 80 80 LYS HG2 H 1 1.781 0.0050 . 1 . . . . 80 LYS HG2 . 19008 1 853 . 1 1 80 80 LYS HD2 H 1 1.879 0.0050 . 1 . . . . 80 LYS HD2 . 19008 1 854 . 1 1 80 80 LYS HE2 H 1 3.159 0.0050 . 1 . . . . 80 LYS HE2 . 19008 1 855 . 1 1 80 80 LYS C C 13 179.15 0.0500 . 1 . . . . 80 LYS C . 19008 1 856 . 1 1 80 80 LYS CA C 13 60.602 0.0500 . 1 . . . . 80 LYS CA . 19008 1 857 . 1 1 80 80 LYS CB C 13 33.066 0.0500 . 1 . . . . 80 LYS CB . 19008 1 858 . 1 1 80 80 LYS CG C 13 26.117 0.0500 . 1 . . . . 80 LYS CG . 19008 1 859 . 1 1 80 80 LYS CD C 13 29.977 0.0500 . 1 . . . . 80 LYS CD . 19008 1 860 . 1 1 80 80 LYS CE C 13 42.588 0.0500 . 1 . . . . 80 LYS CE . 19008 1 861 . 1 1 80 80 LYS N N 15 119.264 0.0500 . 1 . . . . 80 LYS N . 19008 1 862 . 1 1 81 81 LEU H H 1 7.915 0.0050 . 1 . . . . 81 LEU H . 19008 1 863 . 1 1 81 81 LEU HA H 1 4.271 0.0050 . 1 . . . . 81 LEU HA . 19008 1 864 . 1 1 81 81 LEU HB2 H 1 2.364 0.0050 . 1 . . . . 81 LEU HB2 . 19008 1 865 . 1 1 81 81 LEU HG H 1 1.966 0.0050 . 1 . . . . 81 LEU HG . 19008 1 866 . 1 1 81 81 LEU HD11 H 1 0.779 0.0050 . 1 . . . . 81 LEU HD11 . 19008 1 867 . 1 1 81 81 LEU HD12 H 1 0.779 0.0050 . 1 . . . . 81 LEU HD11 . 19008 1 868 . 1 1 81 81 LEU HD13 H 1 0.779 0.0050 . 1 . . . . 81 LEU HD11 . 19008 1 869 . 1 1 81 81 LEU HD21 H 1 1.084 0.0050 . 1 . . . . 81 LEU HD21 . 19008 1 870 . 1 1 81 81 LEU HD22 H 1 1.084 0.0050 . 1 . . . . 81 LEU HD21 . 19008 1 871 . 1 1 81 81 LEU HD23 H 1 1.084 0.0050 . 1 . . . . 81 LEU HD21 . 19008 1 872 . 1 1 81 81 LEU C C 13 179.15 0.0500 . 1 . . . . 81 LEU C . 19008 1 873 . 1 1 81 81 LEU CA C 13 58.801 0.0500 . 1 . . . . 81 LEU CA . 19008 1 874 . 1 1 81 81 LEU CB C 13 42.33 0.0500 . 1 . . . . 81 LEU CB . 19008 1 875 . 1 1 81 81 LEU CG C 13 28.433 0.0500 . 1 . . . . 81 LEU CG . 19008 1 876 . 1 1 81 81 LEU CD1 C 13 26.374 0.0500 . 1 . . . . 81 LEU CD1 . 19008 1 877 . 1 1 81 81 LEU CD2 C 13 24.316 0.0500 . 1 . . . . 81 LEU CD2 . 19008 1 878 . 1 1 81 81 LEU N N 15 120.586 0.0500 . 1 . . . . 81 LEU N . 19008 1 879 . 1 1 82 82 VAL H H 1 8.48 0.0050 . 1 . . . . 82 VAL H . 19008 1 880 . 1 1 82 82 VAL HA H 1 3.552 0.0050 . 1 . . . . 82 VAL HA . 19008 1 881 . 1 1 82 82 VAL HB H 1 2.276 0.0050 . 1 . . . . 82 VAL HB . 19008 1 882 . 1 1 82 82 VAL HG11 H 1 0.819 0.0050 . 1 . . . . 82 VAL HG11 . 19008 1 883 . 1 1 82 82 VAL HG12 H 1 0.819 0.0050 . 1 . . . . 82 VAL HG11 . 19008 1 884 . 1 1 82 82 VAL HG13 H 1 0.819 0.0050 . 1 . . . . 82 VAL HG11 . 19008 1 885 . 1 1 82 82 VAL HG21 H 1 1.127 0.0050 . 1 . . . . 82 VAL HG21 . 19008 1 886 . 1 1 82 82 VAL HG22 H 1 1.127 0.0050 . 1 . . . . 82 VAL HG21 . 19008 1 887 . 1 1 82 82 VAL HG23 H 1 1.127 0.0050 . 1 . . . . 82 VAL HG21 . 19008 1 888 . 1 1 82 82 VAL C C 13 177.59 0.0500 . 1 . . . . 82 VAL C . 19008 1 889 . 1 1 82 82 VAL CA C 13 67.378 0.0500 . 1 . . . . 82 VAL CA . 19008 1 890 . 1 1 82 82 VAL CB C 13 31.188 0.0500 . 1 . . . . 82 VAL CB . 19008 1 891 . 1 1 82 82 VAL CG1 C 13 23.64 0.0500 . 1 . . . . 82 VAL CG1 . 19008 1 892 . 1 1 82 82 VAL CG2 C 13 24.659 0.0500 . 1 . . . . 82 VAL CG2 . 19008 1 893 . 1 1 82 82 VAL N N 15 119.656 0.0500 . 1 . . . . 82 VAL N . 19008 1 894 . 1 1 83 83 ARG H H 1 8.4 0.0050 . 1 . . . . 83 ARG H . 19008 1 895 . 1 1 83 83 ARG HA H 1 4.1 0.0050 . 1 . . . . 83 ARG HA . 19008 1 896 . 1 1 83 83 ARG HB2 H 1 2.023 0.0050 . 1 . . . . 83 ARG HB2 . 19008 1 897 . 1 1 83 83 ARG HG2 H 1 1.925 0.0050 . 1 . . . . 83 ARG HG2 . 19008 1 898 . 1 1 83 83 ARG HD2 H 1 3.3 0.0050 . 1 . . . . 83 ARG HD2 . 19008 1 899 . 1 1 83 83 ARG HE H 1 7.7 0.0050 . 1 . . . . 83 ARG HE . 19008 1 900 . 1 1 83 83 ARG C C 13 179.47 0.0500 . 1 . . . . 83 ARG C . 19008 1 901 . 1 1 83 83 ARG CA C 13 60.7 0.0500 . 1 . . . . 83 ARG CA . 19008 1 902 . 1 1 83 83 ARG CB C 13 29.9 0.0500 . 1 . . . . 83 ARG CB . 19008 1 903 . 1 1 83 83 ARG CG C 13 29.19 0.0500 . 1 . . . . 83 ARG CG . 19008 1 904 . 1 1 83 83 ARG CD C 13 43.84 0.0500 . 1 . . . . 83 ARG CD . 19008 1 905 . 1 1 83 83 ARG N N 15 120.991 0.0500 . 1 . . . . 83 ARG N . 19008 1 906 . 1 1 84 84 ASP H H 1 8.444 0.0050 . 1 . . . . 84 ASP H . 19008 1 907 . 1 1 84 84 ASP HA H 1 4.502 0.0050 . 1 . . . . 84 ASP HA . 19008 1 908 . 1 1 84 84 ASP HB2 H 1 2.986 0.0050 . 1 . . . . 84 ASP HB2 . 19008 1 909 . 1 1 84 84 ASP C C 13 179.25 0.0500 . 1 . . . . 84 ASP C . 19008 1 910 . 1 1 84 84 ASP CA C 13 57.2 0.0500 . 1 . . . . 84 ASP CA . 19008 1 911 . 1 1 84 84 ASP CB C 13 40.8 0.0500 . 1 . . . . 84 ASP CB . 19008 1 912 . 1 1 84 84 ASP N N 15 121.825 0.0500 . 1 . . . . 84 ASP N . 19008 1 913 . 1 1 85 85 ALA H H 1 8.51 0.0050 . 1 . . . . 85 ALA H . 19008 1 914 . 1 1 85 85 ALA HA H 1 3.871 0.0050 . 1 . . . . 85 ALA HA . 19008 1 915 . 1 1 85 85 ALA HB1 H 1 1.23 0.0050 . 1 . . . . 85 ALA HB1 . 19008 1 916 . 1 1 85 85 ALA HB2 H 1 1.23 0.0050 . 1 . . . . 85 ALA HB1 . 19008 1 917 . 1 1 85 85 ALA HB3 H 1 1.23 0.0050 . 1 . . . . 85 ALA HB1 . 19008 1 918 . 1 1 85 85 ALA C C 13 179.86 0.0500 . 1 . . . . 85 ALA C . 19008 1 919 . 1 1 85 85 ALA CA C 13 55.875 0.0500 . 1 . . . . 85 ALA CA . 19008 1 920 . 1 1 85 85 ALA CB C 13 17.6 0.0500 . 1 . . . . 85 ALA CB . 19008 1 921 . 1 1 85 85 ALA N N 15 125.035 0.0500 . 1 . . . . 85 ALA N . 19008 1 922 . 1 1 86 86 MET H H 1 8.588 0.0050 . 1 . . . . 86 MET H . 19008 1 923 . 1 1 86 86 MET HA H 1 4.1 0.0050 . 1 . . . . 86 MET HA . 19008 1 924 . 1 1 86 86 MET HB2 H 1 2.22 0.0050 . 1 . . . . 86 MET HB2 . 19008 1 925 . 1 1 86 86 MET HG2 H 1 2.59 0.0050 . 1 . . . . 86 MET HG2 . 19008 1 926 . 1 1 86 86 MET HE1 H 1 2.034 0.0050 . 1 . . . . 86 MET HE1 . 19008 1 927 . 1 1 86 86 MET HE2 H 1 2.034 0.0050 . 1 . . . . 86 MET HE1 . 19008 1 928 . 1 1 86 86 MET HE3 H 1 2.034 0.0050 . 1 . . . . 86 MET HE1 . 19008 1 929 . 1 1 86 86 MET C C 13 179.95 0.0500 . 1 . . . . 86 MET C . 19008 1 930 . 1 1 86 86 MET CA C 13 59.95 0.0500 . 1 . . . . 86 MET CA . 19008 1 931 . 1 1 86 86 MET CB C 13 34.1 0.0500 . 1 . . . . 86 MET CB . 19008 1 932 . 1 1 86 86 MET CG C 13 31.621 0.0500 . 1 . . . . 86 MET CG . 19008 1 933 . 1 1 86 86 MET CE C 13 16.721 0.0500 . 1 . . . . 86 MET CE . 19008 1 934 . 1 1 86 86 MET N N 15 118.21 0.0500 . 1 . . . . 86 MET N . 19008 1 935 . 1 1 87 87 THR H H 1 8.38 0.0050 . 1 . . . . 87 THR H . 19008 1 936 . 1 1 87 87 THR HA H 1 4.305 0.0050 . 1 . . . . 87 THR HA . 19008 1 937 . 1 1 87 87 THR HB H 1 4.545 0.0050 . 1 . . . . 87 THR HB . 19008 1 938 . 1 1 87 87 THR HG21 H 1 1.462 0.0050 . 1 . . . . 87 THR HG21 . 19008 1 939 . 1 1 87 87 THR HG22 H 1 1.462 0.0050 . 1 . . . . 87 THR HG21 . 19008 1 940 . 1 1 87 87 THR HG23 H 1 1.462 0.0050 . 1 . . . . 87 THR HG21 . 19008 1 941 . 1 1 87 87 THR C C 13 176.41 0.0500 . 1 . . . . 87 THR C . 19008 1 942 . 1 1 87 87 THR CA C 13 65.2 0.0500 . 1 . . . . 87 THR CA . 19008 1 943 . 1 1 87 87 THR CB C 13 69.7 0.0500 . 1 . . . . 87 THR CB . 19008 1 944 . 1 1 87 87 THR CG2 C 13 22.25 0.0500 . 1 . . . . 87 THR CG2 . 19008 1 945 . 1 1 87 87 THR N N 15 113.815 0.0500 . 1 . . . . 87 THR N . 19008 1 946 . 1 1 88 88 SER H H 1 8.03 0.0050 . 1 . . . . 88 SER H . 19008 1 947 . 1 1 88 88 SER HA H 1 4.564 0.0050 . 1 . . . . 88 SER HA . 19008 1 948 . 1 1 88 88 SER HB2 H 1 4.149 0.0050 . 1 . . . . 88 SER HB2 . 19008 1 949 . 1 1 88 88 SER C C 13 174.72 0.0500 . 1 . . . . 88 SER C . 19008 1 950 . 1 1 88 88 SER CA C 13 60.3 0.0500 . 1 . . . . 88 SER CA . 19008 1 951 . 1 1 88 88 SER CB C 13 64.4 0.0500 . 1 . . . . 88 SER CB . 19008 1 952 . 1 1 88 88 SER N N 15 116.537 0.0500 . 1 . . . . 88 SER N . 19008 1 953 . 1 1 89 89 GLY H H 1 7.869 0.0050 . 1 . . . . 89 GLY H . 19008 1 954 . 1 1 89 89 GLY HA2 H 1 4.28 0.0050 . 1 . . . . 89 GLY HA2 . 19008 1 955 . 1 1 89 89 GLY C C 13 175.03 0.0500 . 1 . . . . 89 GLY C . 19008 1 956 . 1 1 89 89 GLY CA C 13 46.233 0.0500 . 1 . . . . 89 GLY CA . 19008 1 957 . 1 1 89 89 GLY N N 15 109.058 0.0500 . 1 . . . . 89 GLY N . 19008 1 958 . 1 1 90 90 VAL H H 1 8.038 0.0050 . 1 . . . . 90 VAL H . 19008 1 959 . 1 1 90 90 VAL HA H 1 4.3 0.0050 . 1 . . . . 90 VAL HA . 19008 1 960 . 1 1 90 90 VAL HB H 1 2.27 0.0050 . 1 . . . . 90 VAL HB . 19008 1 961 . 1 1 90 90 VAL HG11 H 1 1.35 0.0050 . 1 . . . . 90 VAL HG11 . 19008 1 962 . 1 1 90 90 VAL HG12 H 1 1.35 0.0050 . 1 . . . . 90 VAL HG11 . 19008 1 963 . 1 1 90 90 VAL HG13 H 1 1.35 0.0050 . 1 . . . . 90 VAL HG11 . 19008 1 964 . 1 1 90 90 VAL HG21 H 1 1.06 0.0050 . 1 . . . . 90 VAL HG21 . 19008 1 965 . 1 1 90 90 VAL HG22 H 1 1.06 0.0050 . 1 . . . . 90 VAL HG21 . 19008 1 966 . 1 1 90 90 VAL HG23 H 1 1.06 0.0050 . 1 . . . . 90 VAL HG21 . 19008 1 967 . 1 1 90 90 VAL C C 13 175.83 0.0500 . 1 . . . . 90 VAL C . 19008 1 968 . 1 1 90 90 VAL CA C 13 62.899 0.0500 . 1 . . . . 90 VAL CA . 19008 1 969 . 1 1 90 90 VAL CB C 13 32.5 0.0500 . 1 . . . . 90 VAL CB . 19008 1 970 . 1 1 90 90 VAL CG1 C 13 22.314 0.0500 . 1 . . . . 90 VAL CG1 . 19008 1 971 . 1 1 90 90 VAL CG2 C 13 22.1 0.0500 . 1 . . . . 90 VAL CG2 . 19008 1 972 . 1 1 90 90 VAL N N 15 121.359 0.0500 . 1 . . . . 90 VAL N . 19008 1 973 . 1 1 91 91 SER H H 1 8.817 0.0050 . 1 . . . . 91 SER H . 19008 1 974 . 1 1 91 91 SER HA H 1 4.945 0.0050 . 1 . . . . 91 SER HA . 19008 1 975 . 1 1 91 91 SER HB2 H 1 4.58 0.0050 . 1 . . . . 91 SER HB2 . 19008 1 976 . 1 1 91 91 SER C C 13 175.865 0.0500 . 1 . . . . 91 SER C . 19008 1 977 . 1 1 91 91 SER CA C 13 57.8 0.0500 . 1 . . . . 91 SER CA . 19008 1 978 . 1 1 91 91 SER CB C 13 65.83 0.0500 . 1 . . . . 91 SER CB . 19008 1 979 . 1 1 91 91 SER N N 15 122.175 0.0500 . 1 . . . . 91 SER N . 19008 1 980 . 1 1 92 92 LYS H H 1 8.835 0.0050 . 1 . . . . 92 LYS H . 19008 1 981 . 1 1 92 92 LYS HA H 1 4.17 0.0050 . 1 . . . . 92 LYS HA . 19008 1 982 . 1 1 92 92 LYS C C 13 179.14 0.0500 . 1 . . . . 92 LYS C . 19008 1 983 . 1 1 92 92 LYS CA C 13 59 0.0500 . 1 . . . . 92 LYS CA . 19008 1 984 . 1 1 92 92 LYS CB C 13 32.514 0.0500 . 1 . . . . 92 LYS CB . 19008 1 985 . 1 1 92 92 LYS N N 15 125.447 0.0500 . 1 . . . . 92 LYS N . 19008 1 986 . 1 1 93 93 LYS H H 1 8.108 0.0050 . 1 . . . . 93 LYS H . 19008 1 987 . 1 1 93 93 LYS HA H 1 4.18 0.0050 . 1 . . . . 93 LYS HA . 19008 1 988 . 1 1 93 93 LYS HB2 H 1 2.1 0.0050 . 1 . . . . 93 LYS HB2 . 19008 1 989 . 1 1 93 93 LYS HG2 H 1 1.696 0.0050 . 1 . . . . 93 LYS HG2 . 19008 1 990 . 1 1 93 93 LYS HD2 H 1 1.895 0.0050 . 1 . . . . 93 LYS HD2 . 19008 1 991 . 1 1 93 93 LYS HE2 H 1 3.216 0.0050 . 1 . . . . 93 LYS HE2 . 19008 1 992 . 1 1 93 93 LYS C C 13 179.27 0.0500 . 1 . . . . 93 LYS C . 19008 1 993 . 1 1 93 93 LYS CA C 13 60.2 0.0500 . 1 . . . . 93 LYS CA . 19008 1 994 . 1 1 93 93 LYS CB C 13 33.58 0.0500 . 1 . . . . 93 LYS CB . 19008 1 995 . 1 1 93 93 LYS CG C 13 25.86 0.0500 . 1 . . . . 93 LYS CG . 19008 1 996 . 1 1 93 93 LYS CD C 13 30.235 0.0500 . 1 . . . . 93 LYS CD . 19008 1 997 . 1 1 93 93 LYS CE C 13 42.588 0.0500 . 1 . . . . 93 LYS CE . 19008 1 998 . 1 1 93 93 LYS N N 15 119.647 0.0500 . 1 . . . . 93 LYS N . 19008 1 999 . 1 1 94 94 GLN H H 1 8.155 0.0050 . 1 . . . . 94 GLN H . 19008 1 1000 . 1 1 94 94 GLN HA H 1 4.445 0.0050 . 1 . . . . 94 GLN HA . 19008 1 1001 . 1 1 94 94 GLN HB2 H 1 2.679 0.0050 . 1 . . . . 94 GLN HB2 . 19008 1 1002 . 1 1 94 94 GLN HG2 H 1 2.764 0.0050 . 1 . . . . 94 GLN HG2 . 19008 1 1003 . 1 1 94 94 GLN HE21 H 1 7.811 0.0050 . 1 . . . . 94 GLN HE21 . 19008 1 1004 . 1 1 94 94 GLN HE22 H 1 6.945 0.0050 . 1 . . . . 94 GLN HE22 . 19008 1 1005 . 1 1 94 94 GLN C C 13 179.53 0.0500 . 1 . . . . 94 GLN C . 19008 1 1006 . 1 1 94 94 GLN CA C 13 59.566 0.0500 . 1 . . . . 94 GLN CA . 19008 1 1007 . 1 1 94 94 GLN CB C 13 29.613 0.0500 . 1 . . . . 94 GLN CB . 19008 1 1008 . 1 1 94 94 GLN CG C 13 35.83 0.0500 . 1 . . . . 94 GLN CG . 19008 1 1009 . 1 1 94 94 GLN CD C 13 179.933 0.0500 . 1 . . . . 94 GLN CD . 19008 1 1010 . 1 1 94 94 GLN N N 15 118.938 0.0500 . 1 . . . . 94 GLN N . 19008 1 1011 . 1 1 94 94 GLN NE2 N 15 112.375 0.0500 . 1 . . . . 94 GLN NE2 . 19008 1 1012 . 1 1 95 95 PHE H H 1 8.442 0.0050 . 1 . . . . 95 PHE H . 19008 1 1013 . 1 1 95 95 PHE HA H 1 4.47 0.0050 . 1 . . . . 95 PHE HA . 19008 1 1014 . 1 1 95 95 PHE HB2 H 1 3.5 0.0050 . 1 . . . . 95 PHE HB2 . 19008 1 1015 . 1 1 95 95 PHE HD1 H 1 7.233 0.0050 . 1 . . . . 95 PHE HD1 . 19008 1 1016 . 1 1 95 95 PHE HE1 H 1 7.36 0.0050 . 1 . . . . 95 PHE HE1 . 19008 1 1017 . 1 1 95 95 PHE HZ H 1 6.878 0.0050 . 1 . . . . 95 PHE HZ . 19008 1 1018 . 1 1 95 95 PHE C C 13 177.05 0.0500 . 1 . . . . 95 PHE C . 19008 1 1019 . 1 1 95 95 PHE CA C 13 61.5 0.0500 . 1 . . . . 95 PHE CA . 19008 1 1020 . 1 1 95 95 PHE CB C 13 40.4 0.0500 . 1 . . . . 95 PHE CB . 19008 1 1021 . 1 1 95 95 PHE CD1 C 13 130.78 0.0500 . 1 . . . . 95 PHE CD1 . 19008 1 1022 . 1 1 95 95 PHE CZ C 13 132.773 0.0500 . 1 . . . . 95 PHE CZ . 19008 1 1023 . 1 1 95 95 PHE N N 15 121.45 0.0500 . 1 . . . . 95 PHE N . 19008 1 1024 . 1 1 96 96 ARG H H 1 8.799 0.0050 . 1 . . . . 96 ARG H . 19008 1 1025 . 1 1 96 96 ARG HA H 1 4.02 0.0050 . 1 . . . . 96 ARG HA . 19008 1 1026 . 1 1 96 96 ARG HB2 H 1 2.265 0.0050 . 1 . . . . 96 ARG HB2 . 19008 1 1027 . 1 1 96 96 ARG HG2 H 1 1.95 0.0050 . 1 . . . . 96 ARG HG2 . 19008 1 1028 . 1 1 96 96 ARG HD2 H 1 3.465 0.0050 . 1 . . . . 96 ARG HD2 . 19008 1 1029 . 1 1 96 96 ARG HE H 1 7.45 0.0050 . 1 . . . . 96 ARG HE . 19008 1 1030 . 1 1 96 96 ARG C C 13 177.94 0.0500 . 1 . . . . 96 ARG C . 19008 1 1031 . 1 1 96 96 ARG CA C 13 60.259 0.0500 . 1 . . . . 96 ARG CA . 19008 1 1032 . 1 1 96 96 ARG CB C 13 30.057 0.0500 . 1 . . . . 96 ARG CB . 19008 1 1033 . 1 1 96 96 ARG CG C 13 27.54 0.0500 . 1 . . . . 96 ARG CG . 19008 1 1034 . 1 1 96 96 ARG CD C 13 43.452 0.0500 . 1 . . . . 96 ARG CD . 19008 1 1035 . 1 1 96 96 ARG N N 15 120.589 0.0500 . 1 . . . . 96 ARG N . 19008 1 1036 . 1 1 96 96 ARG NE N 15 89.426 0.0500 . 1 . . . . 96 ARG NE . 19008 1 1037 . 1 1 97 97 GLU H H 1 8.226 0.0050 . 1 . . . . 97 GLU H . 19008 1 1038 . 1 1 97 97 GLU HA H 1 4.443 0.0050 . 1 . . . . 97 GLU HA . 19008 1 1039 . 1 1 97 97 GLU HB2 H 1 2.48 0.0050 . 1 . . . . 97 GLU HB2 . 19008 1 1040 . 1 1 97 97 GLU HG2 H 1 2.845 0.0050 . 1 . . . . 97 GLU HG2 . 19008 1 1041 . 1 1 97 97 GLU C C 13 178.59 0.0500 . 1 . . . . 97 GLU C . 19008 1 1042 . 1 1 97 97 GLU CA C 13 60.4 0.0500 . 1 . . . . 97 GLU CA . 19008 1 1043 . 1 1 97 97 GLU CB C 13 30.3 0.0500 . 1 . . . . 97 GLU CB . 19008 1 1044 . 1 1 97 97 GLU CG C 13 37.55 0.0500 . 1 . . . . 97 GLU CG . 19008 1 1045 . 1 1 97 97 GLU N N 15 119.419 0.0500 . 1 . . . . 97 GLU N . 19008 1 1046 . 1 1 98 98 PHE H H 1 7.889 0.0050 . 1 . . . . 98 PHE H . 19008 1 1047 . 1 1 98 98 PHE HA H 1 4.783 0.0050 . 1 . . . . 98 PHE HA . 19008 1 1048 . 1 1 98 98 PHE HB2 H 1 3.28 0.0050 . 1 . . . . 98 PHE HB2 . 19008 1 1049 . 1 1 98 98 PHE HD1 H 1 7.289 0.0050 . 1 . . . . 98 PHE HD1 . 19008 1 1050 . 1 1 98 98 PHE C C 13 177.29 0.0500 . 1 . . . . 98 PHE C . 19008 1 1051 . 1 1 98 98 PHE CA C 13 57.65 0.0500 . 1 . . . . 98 PHE CA . 19008 1 1052 . 1 1 98 98 PHE CB C 13 39.566 0.0500 . 1 . . . . 98 PHE CB . 19008 1 1053 . 1 1 98 98 PHE CD1 C 13 133.241 0.0500 . 1 . . . . 98 PHE CD1 . 19008 1 1054 . 1 1 98 98 PHE N N 15 121.67 0.0500 . 1 . . . . 98 PHE N . 19008 1 1055 . 1 1 99 99 LEU H H 1 8.55 0.0050 . 1 . . . . 99 LEU H . 19008 1 1056 . 1 1 99 99 LEU HA H 1 3.795 0.0050 . 1 . . . . 99 LEU HA . 19008 1 1057 . 1 1 99 99 LEU HB2 H 1 1.865 0.0050 . 1 . . . . 99 LEU HB2 . 19008 1 1058 . 1 1 99 99 LEU HG H 1 1.75 0.0050 . 1 . . . . 99 LEU HG . 19008 1 1059 . 1 1 99 99 LEU HD11 H 1 0.984 0.0050 . 1 . . . . 99 LEU HD11 . 19008 1 1060 . 1 1 99 99 LEU HD12 H 1 0.984 0.0050 . 1 . . . . 99 LEU HD11 . 19008 1 1061 . 1 1 99 99 LEU HD13 H 1 0.984 0.0050 . 1 . . . . 99 LEU HD11 . 19008 1 1062 . 1 1 99 99 LEU C C 13 178.99 0.0500 . 1 . . . . 99 LEU C . 19008 1 1063 . 1 1 99 99 LEU CA C 13 58.544 0.0500 . 1 . . . . 99 LEU CA . 19008 1 1064 . 1 1 99 99 LEU CB C 13 42.33 0.0500 . 1 . . . . 99 LEU CB . 19008 1 1065 . 1 1 99 99 LEU CG C 13 27.404 0.0500 . 1 . . . . 99 LEU CG . 19008 1 1066 . 1 1 99 99 LEU CD1 C 13 25.345 0.0500 . 1 . . . . 99 LEU CD1 . 19008 1 1067 . 1 1 99 99 LEU N N 15 120.771 0.0500 . 1 . . . . 99 LEU N . 19008 1 1068 . 1 1 100 100 ASP H H 1 8.808 0.0050 . 1 . . . . 100 ASP H . 19008 1 1069 . 1 1 100 100 ASP HA H 1 4.555 0.0050 . 1 . . . . 100 ASP HA . 19008 1 1070 . 1 1 100 100 ASP HB2 H 1 3.245 0.0050 . 1 . . . . 100 ASP HB2 . 19008 1 1071 . 1 1 100 100 ASP C C 13 179.285 0.0500 . 1 . . . . 100 ASP C . 19008 1 1072 . 1 1 100 100 ASP CA C 13 58.13 0.0500 . 1 . . . . 100 ASP CA . 19008 1 1073 . 1 1 100 100 ASP CB C 13 40.687 0.0500 . 1 . . . . 100 ASP CB . 19008 1 1074 . 1 1 100 100 ASP N N 15 121.638 0.0500 . 1 . . . . 100 ASP N . 19008 1 1075 . 1 1 101 101 TYR H H 1 8.089 0.0050 . 1 . . . . 101 TYR H . 19008 1 1076 . 1 1 101 101 TYR HA H 1 3.583 0.0050 . 1 . . . . 101 TYR HA . 19008 1 1077 . 1 1 101 101 TYR HB2 H 1 2.838 0.0050 . 1 . . . . 101 TYR HB2 . 19008 1 1078 . 1 1 101 101 TYR HD1 H 1 6.34 0.0050 . 1 . . . . 101 TYR HD1 . 19008 1 1079 . 1 1 101 101 TYR HE1 H 1 6.864 0.0050 . 1 . . . . 101 TYR HE1 . 19008 1 1080 . 1 1 101 101 TYR C C 13 177.31 0.0500 . 1 . . . . 101 TYR C . 19008 1 1081 . 1 1 101 101 TYR CA C 13 60.34 0.0500 . 1 . . . . 101 TYR CA . 19008 1 1082 . 1 1 101 101 TYR CB C 13 37.425 0.0500 . 1 . . . . 101 TYR CB . 19008 1 1083 . 1 1 101 101 TYR CD1 C 13 133.71 0.0500 . 1 . . . . 101 TYR CD1 . 19008 1 1084 . 1 1 101 101 TYR CE1 C 13 118.006 0.0500 . 1 . . . . 101 TYR CE1 . 19008 1 1085 . 1 1 101 101 TYR N N 15 123.182 0.0500 . 1 . . . . 101 TYR N . 19008 1 1086 . 1 1 102 102 GLN H H 1 8.08 0.0050 . 1 . . . . 102 GLN H . 19008 1 1087 . 1 1 102 102 GLN HA H 1 3.551 0.0050 . 1 . . . . 102 GLN HA . 19008 1 1088 . 1 1 102 102 GLN HB2 H 1 2.115 0.0050 . 1 . . . . 102 GLN HB2 . 19008 1 1089 . 1 1 102 102 GLN HG2 H 1 1.962 0.0050 . 1 . . . . 102 GLN HG2 . 19008 1 1090 . 1 1 102 102 GLN HE21 H 1 7.294 0.0050 . 1 . . . . 102 GLN HE21 . 19008 1 1091 . 1 1 102 102 GLN HE22 H 1 6.074 0.0050 . 1 . . . . 102 GLN HE22 . 19008 1 1092 . 1 1 102 102 GLN C C 13 179.41 0.0500 . 1 . . . . 102 GLN C . 19008 1 1093 . 1 1 102 102 GLN CA C 13 58.1 0.0500 . 1 . . . . 102 GLN CA . 19008 1 1094 . 1 1 102 102 GLN CB C 13 27.35 0.0500 . 1 . . . . 102 GLN CB . 19008 1 1095 . 1 1 102 102 GLN CG C 13 33.3 0.0500 . 1 . . . . 102 GLN CG . 19008 1 1096 . 1 1 102 102 GLN CD C 13 178.101 0.0500 . 1 . . . . 102 GLN CD . 19008 1 1097 . 1 1 102 102 GLN N N 15 117.791 0.0500 . 1 . . . . 102 GLN N . 19008 1 1098 . 1 1 102 102 GLN NE2 N 15 113.682 0.0500 . 1 . . . . 102 GLN NE2 . 19008 1 1099 . 1 1 103 103 LYS H H 1 8.565 0.0050 . 1 . . . . 103 LYS H . 19008 1 1100 . 1 1 103 103 LYS HA H 1 4.001 0.0050 . 1 . . . . 103 LYS HA . 19008 1 1101 . 1 1 103 103 LYS HB2 H 1 2.112 0.0050 . 1 . . . . 103 LYS HB2 . 19008 1 1102 . 1 1 103 103 LYS HG2 H 1 1.817 0.0050 . 1 . . . . 103 LYS HG2 . 19008 1 1103 . 1 1 103 103 LYS HD2 H 1 1.871 0.0050 . 1 . . . . 103 LYS HD2 . 19008 1 1104 . 1 1 103 103 LYS HE2 H 1 3.143 0.0050 . 1 . . . . 103 LYS HE2 . 19008 1 1105 . 1 1 103 103 LYS C C 13 175.65 0.0500 . 1 . . . . 103 LYS C . 19008 1 1106 . 1 1 103 103 LYS CA C 13 60.86 0.0500 . 1 . . . . 103 LYS CA . 19008 1 1107 . 1 1 103 103 LYS CB C 13 33.066 0.0500 . 1 . . . . 103 LYS CB . 19008 1 1108 . 1 1 103 103 LYS CG C 13 26.374 0.0500 . 1 . . . . 103 LYS CG . 19008 1 1109 . 1 1 103 103 LYS CD C 13 30.235 0.0500 . 1 . . . . 103 LYS CD . 19008 1 1110 . 1 1 103 103 LYS CE C 13 42.073 0.0500 . 1 . . . . 103 LYS CE . 19008 1 1111 . 1 1 103 103 LYS N N 15 120.44 0.0500 . 1 . . . . 103 LYS N . 19008 1 1112 . 1 1 104 104 TRP H H 1 8.078 0.0050 . 1 . . . . 104 TRP H . 19008 1 1113 . 1 1 104 104 TRP HA H 1 4.069 0.0050 . 1 . . . . 104 TRP HA . 19008 1 1114 . 1 1 104 104 TRP HB2 H 1 3.45 0.0050 . 1 . . . . 104 TRP HB2 . 19008 1 1115 . 1 1 104 104 TRP HD1 H 1 7.45 0.0050 . 1 . . . . 104 TRP HD1 . 19008 1 1116 . 1 1 104 104 TRP HE1 H 1 9.808 0.0050 . 1 . . . . 104 TRP HE1 . 19008 1 1117 . 1 1 104 104 TRP HE3 H 1 7.235 0.0050 . 1 . . . . 104 TRP HE3 . 19008 1 1118 . 1 1 104 104 TRP HZ2 H 1 7.666 0.0050 . 1 . . . . 104 TRP HZ2 . 19008 1 1119 . 1 1 104 104 TRP HZ3 H 1 6.497 0.0050 . 1 . . . . 104 TRP HZ3 . 19008 1 1120 . 1 1 104 104 TRP HH2 H 1 6.5 0.0050 . 1 . . . . 104 TRP HH2 . 19008 1 1121 . 1 1 104 104 TRP C C 13 179.34 0.0500 . 1 . . . . 104 TRP C . 19008 1 1122 . 1 1 104 104 TRP CA C 13 61.9 0.0500 . 1 . . . . 104 TRP CA . 19008 1 1123 . 1 1 104 104 TRP CB C 13 28.316 0.0500 . 1 . . . . 104 TRP CB . 19008 1 1124 . 1 1 104 104 TRP CD1 C 13 125.155 0.0500 . 1 . . . . 104 TRP CD1 . 19008 1 1125 . 1 1 104 104 TRP CE3 C 13 121.99 0.0500 . 1 . . . . 104 TRP CE3 . 19008 1 1126 . 1 1 104 104 TRP CZ2 C 13 115.5 0.0500 . 1 . . . . 104 TRP CZ2 . 19008 1 1127 . 1 1 104 104 TRP CZ3 C 13 121.287 0.0500 . 1 . . . . 104 TRP CZ3 . 19008 1 1128 . 1 1 104 104 TRP CH2 C 13 121.639 0.0500 . 1 . . . . 104 TRP CH2 . 19008 1 1129 . 1 1 104 104 TRP N N 15 123.377 0.0500 . 1 . . . . 104 TRP N . 19008 1 1130 . 1 1 104 104 TRP NE1 N 15 129.805 0.0500 . 1 . . . . 104 TRP NE1 . 19008 1 1131 . 1 1 105 105 ARG H H 1 8.662 0.0050 . 1 . . . . 105 ARG H . 19008 1 1132 . 1 1 105 105 ARG HA H 1 3.28 0.0050 . 1 . . . . 105 ARG HA . 19008 1 1133 . 1 1 105 105 ARG HB2 H 1 1.683 0.0050 . 1 . . . . 105 ARG HB2 . 19008 1 1134 . 1 1 105 105 ARG HG2 H 1 1.47 0.0050 . 1 . . . . 105 ARG HG2 . 19008 1 1135 . 1 1 105 105 ARG HD2 H 1 3.032 0.0050 . 1 . . . . 105 ARG HD2 . 19008 1 1136 . 1 1 105 105 ARG HE H 1 7.495 0.0050 . 1 . . . . 105 ARG HE . 19008 1 1137 . 1 1 105 105 ARG C C 13 179.01 0.0500 . 1 . . . . 105 ARG C . 19008 1 1138 . 1 1 105 105 ARG CA C 13 59.56 0.0500 . 1 . . . . 105 ARG CA . 19008 1 1139 . 1 1 105 105 ARG CB C 13 30.059 0.0500 . 1 . . . . 105 ARG CB . 19008 1 1140 . 1 1 105 105 ARG CG C 13 27.3 0.0500 . 1 . . . . 105 ARG CG . 19008 1 1141 . 1 1 105 105 ARG CD C 13 43.316 0.0500 . 1 . . . . 105 ARG CD . 19008 1 1142 . 1 1 105 105 ARG N N 15 120.871 0.0500 . 1 . . . . 105 ARG N . 19008 1 1143 . 1 1 106 106 LYS H H 1 7.696 0.0050 . 1 . . . . 106 LYS H . 19008 1 1144 . 1 1 106 106 LYS HA H 1 4.18 0.0050 . 1 . . . . 106 LYS HA . 19008 1 1145 . 1 1 106 106 LYS HB2 H 1 2.034 0.0050 . 1 . . . . 106 LYS HB2 . 19008 1 1146 . 1 1 106 106 LYS HG2 H 1 1.7 0.0050 . 1 . . . . 106 LYS HG2 . 19008 1 1147 . 1 1 106 106 LYS HD2 H 1 1.852 0.0050 . 1 . . . . 106 LYS HD2 . 19008 1 1148 . 1 1 106 106 LYS HE2 H 1 3.199 0.0050 . 1 . . . . 106 LYS HE2 . 19008 1 1149 . 1 1 106 106 LYS C C 13 177.82 0.0500 . 1 . . . . 106 LYS C . 19008 1 1150 . 1 1 106 106 LYS CA C 13 58.801 0.0500 . 1 . . . . 106 LYS CA . 19008 1 1151 . 1 1 106 106 LYS CB C 13 32.808 0.0500 . 1 . . . . 106 LYS CB . 19008 1 1152 . 1 1 106 106 LYS CG C 13 25.345 0.0500 . 1 . . . . 106 LYS CG . 19008 1 1153 . 1 1 106 106 LYS CD C 13 29.72 0.0500 . 1 . . . . 106 LYS CD . 19008 1 1154 . 1 1 106 106 LYS CE C 13 42.588 0.0500 . 1 . . . . 106 LYS CE . 19008 1 1155 . 1 1 106 106 LYS N N 15 118.452 0.0500 . 1 . . . . 106 LYS N . 19008 1 1156 . 1 1 107 107 SER H H 1 7.6 0.0050 . 1 . . . . 107 SER H . 19008 1 1157 . 1 1 107 107 SER HA H 1 4.664 0.0050 . 1 . . . . 107 SER HA . 19008 1 1158 . 1 1 107 107 SER HB2 H 1 3.995 0.0050 . 1 . . . . 107 SER HB2 . 19008 1 1159 . 1 1 107 107 SER C C 13 174.71 0.0500 . 1 . . . . 107 SER C . 19008 1 1160 . 1 1 107 107 SER CA C 13 58.63 0.0500 . 1 . . . . 107 SER CA . 19008 1 1161 . 1 1 107 107 SER CB C 13 64.3 0.0500 . 1 . . . . 107 SER CB . 19008 1 1162 . 1 1 107 107 SER N N 15 114.263 0.0500 . 1 . . . . 107 SER N . 19008 1 1163 . 1 1 108 108 GLN H H 1 7.415 0.0050 . 1 . . . . 108 GLN H . 19008 1 1164 . 1 1 108 108 GLN HA H 1 4.14 0.0050 . 1 . . . . 108 GLN HA . 19008 1 1165 . 1 1 108 108 GLN HB2 H 1 1.965 0.0050 . 1 . . . . 108 GLN HB2 . 19008 1 1166 . 1 1 108 108 GLN HG2 H 1 1.737 0.0050 . 1 . . . . 108 GLN HG2 . 19008 1 1167 . 1 1 108 108 GLN HE21 H 1 6.548 0.0050 . 1 . . . . 108 GLN HE21 . 19008 1 1168 . 1 1 108 108 GLN HE22 H 1 6.437 0.0050 . 1 . . . . 108 GLN HE22 . 19008 1 1169 . 1 1 108 108 GLN C C 13 174.72 0.0500 . 1 . . . . 108 GLN C . 19008 1 1170 . 1 1 108 108 GLN CA C 13 55.454 0.0500 . 1 . . . . 108 GLN CA . 19008 1 1171 . 1 1 108 108 GLN CB C 13 29.166 0.0500 . 1 . . . . 108 GLN CB . 19008 1 1172 . 1 1 108 108 GLN CG C 13 33.3 0.0500 . 1 . . . . 108 GLN CG . 19008 1 1173 . 1 1 108 108 GLN CD C 13 180.053 0.0500 . 1 . . . . 108 GLN CD . 19008 1 1174 . 1 1 108 108 GLN N N 15 120.604 0.0500 . 1 . . . . 108 GLN N . 19008 1 1175 . 1 1 108 108 GLN NE2 N 15 113.682 0.0500 . 1 . . . . 108 GLN NE2 . 19008 1 1176 . 1 1 109 109 LYS H H 1 7.954 0.0050 . 1 . . . . 109 LYS H . 19008 1 1177 . 1 1 109 109 LYS HA H 1 4.41 0.0050 . 1 . . . . 109 LYS HA . 19008 1 1178 . 1 1 109 109 LYS HB2 H 1 1.97 0.0050 . 1 . . . . 109 LYS HB2 . 19008 1 1179 . 1 1 109 109 LYS HG2 H 1 1.54 0.0050 . 1 . . . . 109 LYS HG2 . 19008 1 1180 . 1 1 109 109 LYS HD2 H 1 1.799 0.0050 . 1 . . . . 109 LYS HD2 . 19008 1 1181 . 1 1 109 109 LYS HE2 H 1 3.111 0.0050 . 1 . . . . 109 LYS HE2 . 19008 1 1182 . 1 1 109 109 LYS C C 13 175.98 0.0500 . 1 . . . . 109 LYS C . 19008 1 1183 . 1 1 109 109 LYS CA C 13 56.742 0.0500 . 1 . . . . 109 LYS CA . 19008 1 1184 . 1 1 109 109 LYS CB C 13 33.58 0.0500 . 1 . . . . 109 LYS CB . 19008 1 1185 . 1 1 109 109 LYS CG C 13 25.345 0.0500 . 1 . . . . 109 LYS CG . 19008 1 1186 . 1 1 109 109 LYS CD C 13 29.72 0.0500 . 1 . . . . 109 LYS CD . 19008 1 1187 . 1 1 109 109 LYS CE C 13 42.588 0.0500 . 1 . . . . 109 LYS CE . 19008 1 1188 . 1 1 109 109 LYS N N 15 121.182 0.0500 . 1 . . . . 109 LYS N . 19008 1 1189 . 1 1 110 110 GLU H H 1 8.321 0.0050 . 1 . . . . 110 GLU H . 19008 1 1190 . 1 1 110 110 GLU HA H 1 4.42 0.0050 . 1 . . . . 110 GLU HA . 19008 1 1191 . 1 1 110 110 GLU HB2 H 1 2.015 0.0050 . 1 . . . . 110 GLU HB2 . 19008 1 1192 . 1 1 110 110 GLU HG2 H 1 2.352 0.0050 . 1 . . . . 110 GLU HG2 . 19008 1 1193 . 1 1 110 110 GLU C C 13 175.65 0.0500 . 1 . . . . 110 GLU C . 19008 1 1194 . 1 1 110 110 GLU CA C 13 57.192 0.0500 . 1 . . . . 110 GLU CA . 19008 1 1195 . 1 1 110 110 GLU CB C 13 31 0.0500 . 1 . . . . 110 GLU CB . 19008 1 1196 . 1 1 110 110 GLU CG C 13 36.81 0.0500 . 1 . . . . 110 GLU CG . 19008 1 1197 . 1 1 110 110 GLU N N 15 123.28 0.0500 . 1 . . . . 110 GLU N . 19008 1 1198 . 1 1 111 111 GLU H H 1 8.023 0.0050 . 1 . . . . 111 GLU H . 19008 1 1199 . 1 1 111 111 GLU HA H 1 4.262 0.0050 . 1 . . . . 111 GLU HA . 19008 1 1200 . 1 1 111 111 GLU HB2 H 1 2.178 0.0050 . 1 . . . . 111 GLU HB2 . 19008 1 1201 . 1 1 111 111 GLU HG2 H 1 2.332 0.0050 . 1 . . . . 111 GLU HG2 . 19008 1 1202 . 1 1 111 111 GLU C C 13 180.93 0.0500 . 1 . . . . 111 GLU C . 19008 1 1203 . 1 1 111 111 GLU CA C 13 58.605 0.0500 . 1 . . . . 111 GLU CA . 19008 1 1204 . 1 1 111 111 GLU CB C 13 31.649 0.0500 . 1 . . . . 111 GLU CB . 19008 1 1205 . 1 1 111 111 GLU CG C 13 36.643 0.0500 . 1 . . . . 111 GLU CG . 19008 1 1206 . 1 1 111 111 GLU N N 15 127.54 0.0500 . 1 . . . . 111 GLU N . 19008 1 stop_ save_