data_17598 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17598 _Entry.Title ; Solution Structure of PilP from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-22 _Entry.Accession_date 2011-04-22 _Entry.Last_release_date 2011-12-20 _Entry.Original_release_date 2011-12-20 _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 'NMR, 20 STRUCTURES' _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 'P. Lynne' Howell . . . 17598 2 Stephanie Tammam . . . 17598 3 'P. Andrew' Chong . . . 17598 4 Julie Forman-Kay . D. . 17598 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17598 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 17598 'Type IV Pilus' . 17598 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17598 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 17598 '15N chemical shifts' 107 17598 '1H chemical shifts' 741 17598 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-12-20 2011-04-22 original author . 17598 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LC4 'BMRB Entry Tracking System' 17598 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17598 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22053789 _Citation.Full_citation . _Citation.Title 'Characterization of the PilN, PilO and PilP type IVa pilus subcomplex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Micro.' _Citation.Journal_name_full . _Citation.Journal_volume 82 _Citation.Journal_issue 6 _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 1496 _Citation.Page_last 1514 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stephanie Tammam . . . 17598 1 2 Liliana Sampaleanu . . . 17598 1 3 Jason Koo . . . 17598 1 4 Priyanka Sundaram . . . 17598 1 5 Melissa Ayers . . . 17598 1 6 'P. Andrew' Chong . . . 17598 1 7 Julie Forman-Kay . D. . 17598 1 8 Lori Burrows . L. . 17598 1 9 'P. Lynne' Howell . . . 17598 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17598 _Assembly.ID 1 _Assembly.Name 'Solution Structure of PilP from Pseudomonas aeruginosa' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 PilP 1 $entity A . yes native no no . . . 17598 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17598 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PilP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DLTVRQKGNKVIKPDETRVK QFLEGFNIETFEMVGTLSNA QGTFALVKGAGGVHRVRVGD YLGRNDGKVVGISEGKIDVI EIVPDGEGNWLERPRSLTLK ERSLEHHHHHH ; _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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12427.167 _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 2LC4 . "Solution Structure Of Pilp From Pseudomonas Aeruginosa" . . . . . 100.00 111 100.00 100.00 8.39e-73 . . . . 17598 1 2 no DBJ BAK87361 . "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 3 no DBJ BAP24857 . "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 4 no DBJ BAP53627 . "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 5 no DBJ BAQ42890 . "type 4 fimbrial biogenesis protein [Pseudomonas aeruginosa]" . . . . . 92.79 165 99.03 100.00 6.93e-66 . . . . 17598 1 6 no DBJ BAR70506 . "type IV pilus biogenesis protein PilP [Pseudomonas aeruginosa]" . . . . . 92.79 174 99.03 100.00 6.02e-66 . . . . 17598 1 7 no EMBL CAW30185 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa LESB58]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 8 no EMBL CCQ86063 . "Type IV pilus biogenesis protein PilP [Pseudomonas aeruginosa 18A]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 9 no EMBL CDH73786 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa MH38]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 10 no EMBL CDH80106 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa MH27]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 11 no EMBL CDI93614 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PA38182]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 12 no GB AAA87405 . "pilP [Pseudomonas aeruginosa PAO1]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 13 no GB AAG08426 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PAO1]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 14 no GB ABJ14425 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 92.79 174 99.03 100.00 6.02e-66 . . . . 17598 1 15 no GB ABR86649 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PA7]" . . . . . 92.79 173 100.00 100.00 2.94e-66 . . . . 17598 1 16 no GB AEO77634 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa M18]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 17 no REF NP_253728 . "type 4 fimbrial biogenesis protein PilP [Pseudomonas aeruginosa PAO1]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 18 no REF WP_003095836 . "MULTISPECIES: type 4 fimbrial biogenesis protein PilP [Pseudomonas]" . . . . . 92.79 174 100.00 100.00 3.98e-66 . . . . 17598 1 19 no REF WP_003116136 . "MULTISPECIES: pilus assembly protein PilP [Pseudomonas]" . . . . . 92.79 174 99.03 100.00 6.02e-66 . . . . 17598 1 20 no REF WP_012077721 . "pilus assembly protein PilP [Pseudomonas aeruginosa]" . . . . . 92.79 173 100.00 100.00 2.94e-66 . . . . 17598 1 21 no REF WP_021263517 . "pilus assembly protein PilP [Pseudomonas aeruginosa]" . . . . . 92.79 174 100.00 100.00 2.94e-66 . . . . 17598 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 0 ASP . 17598 1 2 1 LEU . 17598 1 3 2 THR . 17598 1 4 3 VAL . 17598 1 5 4 ARG . 17598 1 6 5 GLN . 17598 1 7 6 LYS . 17598 1 8 7 GLY . 17598 1 9 8 ASN . 17598 1 10 9 LYS . 17598 1 11 10 VAL . 17598 1 12 11 ILE . 17598 1 13 12 LYS . 17598 1 14 13 PRO . 17598 1 15 14 ASP . 17598 1 16 15 GLU . 17598 1 17 16 THR . 17598 1 18 17 ARG . 17598 1 19 18 VAL . 17598 1 20 19 LYS . 17598 1 21 20 GLN . 17598 1 22 21 PHE . 17598 1 23 22 LEU . 17598 1 24 23 GLU . 17598 1 25 24 GLY . 17598 1 26 25 PHE . 17598 1 27 26 ASN . 17598 1 28 27 ILE . 17598 1 29 28 GLU . 17598 1 30 29 THR . 17598 1 31 30 PHE . 17598 1 32 31 GLU . 17598 1 33 32 MET . 17598 1 34 33 VAL . 17598 1 35 34 GLY . 17598 1 36 35 THR . 17598 1 37 36 LEU . 17598 1 38 37 SER . 17598 1 39 38 ASN . 17598 1 40 39 ALA . 17598 1 41 40 GLN . 17598 1 42 41 GLY . 17598 1 43 42 THR . 17598 1 44 43 PHE . 17598 1 45 44 ALA . 17598 1 46 45 LEU . 17598 1 47 46 VAL . 17598 1 48 47 LYS . 17598 1 49 48 GLY . 17598 1 50 49 ALA . 17598 1 51 50 GLY . 17598 1 52 51 GLY . 17598 1 53 52 VAL . 17598 1 54 53 HIS . 17598 1 55 54 ARG . 17598 1 56 55 VAL . 17598 1 57 56 ARG . 17598 1 58 57 VAL . 17598 1 59 58 GLY . 17598 1 60 59 ASP . 17598 1 61 60 TYR . 17598 1 62 61 LEU . 17598 1 63 62 GLY . 17598 1 64 63 ARG . 17598 1 65 64 ASN . 17598 1 66 65 ASP . 17598 1 67 66 GLY . 17598 1 68 67 LYS . 17598 1 69 68 VAL . 17598 1 70 69 VAL . 17598 1 71 70 GLY . 17598 1 72 71 ILE . 17598 1 73 72 SER . 17598 1 74 73 GLU . 17598 1 75 74 GLY . 17598 1 76 75 LYS . 17598 1 77 76 ILE . 17598 1 78 77 ASP . 17598 1 79 78 VAL . 17598 1 80 79 ILE . 17598 1 81 80 GLU . 17598 1 82 81 ILE . 17598 1 83 82 VAL . 17598 1 84 83 PRO . 17598 1 85 84 ASP . 17598 1 86 85 GLY . 17598 1 87 86 GLU . 17598 1 88 87 GLY . 17598 1 89 88 ASN . 17598 1 90 89 TRP . 17598 1 91 90 LEU . 17598 1 92 91 GLU . 17598 1 93 92 ARG . 17598 1 94 93 PRO . 17598 1 95 94 ARG . 17598 1 96 95 SER . 17598 1 97 96 LEU . 17598 1 98 97 THR . 17598 1 99 98 LEU . 17598 1 100 99 LYS . 17598 1 101 100 GLU . 17598 1 102 101 ARG . 17598 1 103 102 SER . 17598 1 104 103 LEU . 17598 1 105 104 GLU . 17598 1 106 105 HIS . 17598 1 107 106 HIS . 17598 1 108 107 HIS . 17598 1 109 108 HIS . 17598 1 110 109 HIS . 17598 1 111 110 HIS . 17598 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 . ASP 1 1 17598 1 . LEU 2 2 17598 1 . THR 3 3 17598 1 . VAL 4 4 17598 1 . ARG 5 5 17598 1 . GLN 6 6 17598 1 . LYS 7 7 17598 1 . GLY 8 8 17598 1 . ASN 9 9 17598 1 . LYS 10 10 17598 1 . VAL 11 11 17598 1 . ILE 12 12 17598 1 . LYS 13 13 17598 1 . PRO 14 14 17598 1 . ASP 15 15 17598 1 . GLU 16 16 17598 1 . THR 17 17 17598 1 . ARG 18 18 17598 1 . VAL 19 19 17598 1 . LYS 20 20 17598 1 . GLN 21 21 17598 1 . PHE 22 22 17598 1 . LEU 23 23 17598 1 . GLU 24 24 17598 1 . GLY 25 25 17598 1 . PHE 26 26 17598 1 . ASN 27 27 17598 1 . ILE 28 28 17598 1 . GLU 29 29 17598 1 . THR 30 30 17598 1 . PHE 31 31 17598 1 . GLU 32 32 17598 1 . MET 33 33 17598 1 . VAL 34 34 17598 1 . GLY 35 35 17598 1 . THR 36 36 17598 1 . LEU 37 37 17598 1 . SER 38 38 17598 1 . ASN 39 39 17598 1 . ALA 40 40 17598 1 . GLN 41 41 17598 1 . GLY 42 42 17598 1 . THR 43 43 17598 1 . PHE 44 44 17598 1 . ALA 45 45 17598 1 . LEU 46 46 17598 1 . VAL 47 47 17598 1 . LYS 48 48 17598 1 . GLY 49 49 17598 1 . ALA 50 50 17598 1 . GLY 51 51 17598 1 . GLY 52 52 17598 1 . VAL 53 53 17598 1 . HIS 54 54 17598 1 . ARG 55 55 17598 1 . VAL 56 56 17598 1 . ARG 57 57 17598 1 . VAL 58 58 17598 1 . GLY 59 59 17598 1 . ASP 60 60 17598 1 . TYR 61 61 17598 1 . LEU 62 62 17598 1 . GLY 63 63 17598 1 . ARG 64 64 17598 1 . ASN 65 65 17598 1 . ASP 66 66 17598 1 . GLY 67 67 17598 1 . LYS 68 68 17598 1 . VAL 69 69 17598 1 . VAL 70 70 17598 1 . GLY 71 71 17598 1 . ILE 72 72 17598 1 . SER 73 73 17598 1 . GLU 74 74 17598 1 . GLY 75 75 17598 1 . LYS 76 76 17598 1 . ILE 77 77 17598 1 . ASP 78 78 17598 1 . VAL 79 79 17598 1 . ILE 80 80 17598 1 . GLU 81 81 17598 1 . ILE 82 82 17598 1 . VAL 83 83 17598 1 . PRO 84 84 17598 1 . ASP 85 85 17598 1 . GLY 86 86 17598 1 . GLU 87 87 17598 1 . GLY 88 88 17598 1 . ASN 89 89 17598 1 . TRP 90 90 17598 1 . LEU 91 91 17598 1 . GLU 92 92 17598 1 . ARG 93 93 17598 1 . PRO 94 94 17598 1 . ARG 95 95 17598 1 . SER 96 96 17598 1 . LEU 97 97 17598 1 . THR 98 98 17598 1 . LEU 99 99 17598 1 . LYS 100 100 17598 1 . GLU 101 101 17598 1 . ARG 102 102 17598 1 . SER 103 103 17598 1 . LEU 104 104 17598 1 . GLU 105 105 17598 1 . HIS 106 106 17598 1 . HIS 107 107 17598 1 . HIS 108 108 17598 1 . HIS 109 109 17598 1 . HIS 110 110 17598 1 . HIS 111 111 17598 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 17598 _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 $entity . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa mPAO1 . . . . . . . . . . . . . . . PilP . . . . 17598 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 17598 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17598 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17598 _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 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17598 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17598 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17598 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17598 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17598 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 17598 1 pH 7.5 . pH 17598 1 pressure 1 . atm 17598 1 temperature 273 . K 17598 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17598 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17598 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17598 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17598 _Software.ID 2 _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' . . 17598 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17598 2 'peak picking' 17598 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17598 _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' . . 17598 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17598 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17598 _Software.ID 4 _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' . . 17598 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17598 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17598 _Software.ID 5 _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' . . 17598 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17598 5 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 17598 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Pulse Field Gradient' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17598 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Pulse Field Gradient and Cryo Probe' _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 17598 _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 Varian INOVA . 500 'Pulse Field Gradient' . . 17598 1 2 spectrometer_2 Varian INOVA . 600 'Pulse Field Gradient and Cryo Probe' . . 17598 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 17598 _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 . . . . . . . . . . . . . . . . . . . . . 17598 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 1 4 '3D HCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 1 5 '3D CCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17598 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 17598 _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 water protons . . . . ppm 4.77 internal indirect 0.04 . . . . . . . . . 17598 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . . . . . 17598 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.07 . . . . . . . . . 17598 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 17598 _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' . . . 17598 1 2 '3D HNCACB' . . . 17598 1 3 '3D CBCA(CO)NH' . . . 17598 1 4 '3D HCC-TOCSY' . . . 17598 1 5 '3D CCC-TOCSY' . . . 17598 1 6 '2D 1H-13C HSQC aliphatic' . . . 17598 1 7 '3D 1H-15N NOESY' . . . 17598 1 8 '3D 1H-13C NOESY' . . . 17598 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 LEU HA H 1 4.375 0.000 . 1 . . . A 1 LEU HA . 17598 1 2 . 1 1 2 2 LEU HB2 H 1 0.905 0.000 . 2 . . . A 1 LEU HB2 . 17598 1 3 . 1 1 2 2 LEU HB3 H 1 0.906 0.000 . 2 . . . A 1 LEU HB3 . 17598 1 4 . 1 1 2 2 LEU HG H 1 1.643 0.000 . 1 . . . A 1 LEU HG . 17598 1 5 . 1 1 2 2 LEU HD11 H 1 0.883 0.000 . . . . . A 1 LEU HD11 . 17598 1 6 . 1 1 2 2 LEU HD12 H 1 0.883 0.000 . . . . . A 1 LEU HD12 . 17598 1 7 . 1 1 2 2 LEU HD13 H 1 0.883 0.000 . . . . . A 1 LEU HD13 . 17598 1 8 . 1 1 2 2 LEU HD21 H 1 0.881 0.000 . . . . . A 1 LEU HD21 . 17598 1 9 . 1 1 2 2 LEU HD22 H 1 0.881 0.000 . . . . . A 1 LEU HD22 . 17598 1 10 . 1 1 2 2 LEU HD23 H 1 0.881 0.000 . . . . . A 1 LEU HD23 . 17598 1 11 . 1 1 2 2 LEU CA C 13 55.350 0.000 . 1 . . . A 1 LEU CA . 17598 1 12 . 1 1 2 2 LEU CB C 13 42.048 0.000 . 1 . . . A 1 LEU CB . 17598 1 13 . 1 1 2 2 LEU CG C 13 26.838 0.000 . 1 . . . A 1 LEU CG . 17598 1 14 . 1 1 2 2 LEU CD1 C 13 24.870 0.000 . 2 . . . A 1 LEU CD1 . 17598 1 15 . 1 1 2 2 LEU CD2 C 13 22.984 0.000 . 2 . . . A 1 LEU CD2 . 17598 1 16 . 1 1 3 3 THR H H 1 8.316 0.000 . 1 . . . A 2 THR H . 17598 1 17 . 1 1 3 3 THR HA H 1 4.205 0.000 . 1 . . . A 2 THR HA . 17598 1 18 . 1 1 3 3 THR HB H 1 4.205 0.000 . 1 . . . A 2 THR HB . 17598 1 19 . 1 1 3 3 THR HG21 H 1 1.199 0.000 . . . . . A 2 THR HG21 . 17598 1 20 . 1 1 3 3 THR HG22 H 1 1.199 0.000 . . . . . A 2 THR HG22 . 17598 1 21 . 1 1 3 3 THR HG23 H 1 1.199 0.000 . . . . . A 2 THR HG23 . 17598 1 22 . 1 1 3 3 THR CA C 13 62.493 0.000 . 1 . . . A 2 THR CA . 17598 1 23 . 1 1 3 3 THR CB C 13 69.391 0.000 . 1 . . . A 2 THR CB . 17598 1 24 . 1 1 3 3 THR CG2 C 13 21.508 0.000 . 1 . . . A 2 THR CG2 . 17598 1 25 . 1 1 3 3 THR N N 15 114.937 0.000 . 1 . . . A 2 THR N . 17598 1 26 . 1 1 4 4 VAL H H 1 7.953 0.000 . 1 . . . A 3 VAL H . 17598 1 27 . 1 1 4 4 VAL HA H 1 4.068 0.000 . 1 . . . A 3 VAL HA . 17598 1 28 . 1 1 4 4 VAL HB H 1 2.079 0.000 . 1 . . . A 3 VAL HB . 17598 1 29 . 1 1 4 4 VAL HG11 H 1 0.932 0.000 . . . . . A 3 VAL HG11 . 17598 1 30 . 1 1 4 4 VAL HG12 H 1 0.932 0.000 . . . . . A 3 VAL HG12 . 17598 1 31 . 1 1 4 4 VAL HG13 H 1 0.932 0.000 . . . . . A 3 VAL HG13 . 17598 1 32 . 1 1 4 4 VAL HG21 H 1 0.933 0.000 . . . . . A 3 VAL HG21 . 17598 1 33 . 1 1 4 4 VAL HG22 H 1 0.933 0.000 . . . . . A 3 VAL HG22 . 17598 1 34 . 1 1 4 4 VAL HG23 H 1 0.933 0.000 . . . . . A 3 VAL HG23 . 17598 1 35 . 1 1 4 4 VAL CA C 13 62.493 0.000 . 1 . . . A 3 VAL CA . 17598 1 36 . 1 1 4 4 VAL CB C 13 32.358 0.000 . 1 . . . A 3 VAL CB . 17598 1 37 . 1 1 4 4 VAL CG1 C 13 20.770 0.000 . 2 . . . A 3 VAL CG1 . 17598 1 38 . 1 1 4 4 VAL CG2 C 13 20.770 0.000 . 2 . . . A 3 VAL CG2 . 17598 1 39 . 1 1 4 4 VAL N N 15 122.438 0.000 . 1 . . . A 3 VAL N . 17598 1 40 . 1 1 5 5 ARG H H 1 8.319 0.000 . 1 . . . A 4 ARG H . 17598 1 41 . 1 1 5 5 ARG HA H 1 4.350 0.000 . 1 . . . A 4 ARG HA . 17598 1 42 . 1 1 5 5 ARG HB2 H 1 1.813 0.000 . 2 . . . A 4 ARG HB2 . 17598 1 43 . 1 1 5 5 ARG HB3 H 1 1.812 0.000 . 2 . . . A 4 ARG HB3 . 17598 1 44 . 1 1 5 5 ARG HG2 H 1 1.628 0.000 . 2 . . . A 4 ARG HG2 . 17598 1 45 . 1 1 5 5 ARG HG3 H 1 1.627 0.000 . 2 . . . A 4 ARG HG3 . 17598 1 46 . 1 1 5 5 ARG HD2 H 1 3.180 0.000 . 2 . . . A 4 ARG HD2 . 17598 1 47 . 1 1 5 5 ARG HD3 H 1 2.179 0.000 . 2 . . . A 4 ARG HD3 . 17598 1 48 . 1 1 5 5 ARG CA C 13 55.842 0.000 . 1 . . . A 4 ARG CA . 17598 1 49 . 1 1 5 5 ARG CB C 13 30.643 0.000 . 1 . . . A 4 ARG CB . 17598 1 50 . 1 1 5 5 ARG CG C 13 27.048 0.000 . 1 . . . A 4 ARG CG . 17598 1 51 . 1 1 5 5 ARG CD C 13 43.074 0.000 . 1 . . . A 4 ARG CD . 17598 1 52 . 1 1 5 5 ARG N N 15 124.781 0.000 . 1 . . . A 4 ARG N . 17598 1 53 . 1 1 6 6 GLN H H 1 8.373 0.000 . 1 . . . A 5 GLN H . 17598 1 54 . 1 1 6 6 GLN HB2 H 1 1.468 0.000 . 2 . . . A 5 GLN HB2 . 17598 1 55 . 1 1 6 6 GLN HB3 H 1 1.469 0.000 . 2 . . . A 5 GLN HB3 . 17598 1 56 . 1 1 6 6 GLN HG2 H 1 2.395 0.000 . 2 . . . A 5 GLN HG2 . 17598 1 57 . 1 1 6 6 GLN HG3 H 1 2.396 0.000 . 2 . . . A 5 GLN HG3 . 17598 1 58 . 1 1 6 6 GLN HE21 H 1 6.860 0.000 . 2 . . . A 5 GLN HE21 . 17598 1 59 . 1 1 6 6 GLN HE22 H 1 7.570 0.000 . 2 . . . A 5 GLN HE22 . 17598 1 60 . 1 1 6 6 GLN CA C 13 55.842 0.000 . 1 . . . A 5 GLN CA . 17598 1 61 . 1 1 6 6 GLN CB C 13 29.189 0.000 . 1 . . . A 5 GLN CB . 17598 1 62 . 1 1 6 6 GLN CG C 13 34.763 0.000 . 1 . . . A 5 GLN CG . 17598 1 63 . 1 1 6 6 GLN N N 15 121.656 0.000 . 1 . . . A 5 GLN N . 17598 1 64 . 1 1 6 6 GLN NE2 N 15 112.721 0.000 . 1 . . . A 5 GLN NE2 . 17598 1 65 . 1 1 7 7 LYS HA H 1 3.809 0.000 . 1 . . . A 6 LYS HA . 17598 1 66 . 1 1 7 7 LYS HB2 H 1 1.927 0.000 . 2 . . . A 6 LYS HB2 . 17598 1 67 . 1 1 7 7 LYS HB3 H 1 1.927 0.000 . 2 . . . A 6 LYS HB3 . 17598 1 68 . 1 1 7 7 LYS HG2 H 1 0.949 0.000 . 2 . . . A 6 LYS HG2 . 17598 1 69 . 1 1 7 7 LYS HG3 H 1 0.948 0.000 . 2 . . . A 6 LYS HG3 . 17598 1 70 . 1 1 7 7 LYS CA C 13 54.832 0.000 . 1 . . . A 6 LYS CA . 17598 1 71 . 1 1 7 7 LYS CB C 13 30.063 0.000 . 1 . . . A 6 LYS CB . 17598 1 72 . 1 1 7 7 LYS CG C 13 21.016 0.000 . 1 . . . A 6 LYS CG . 17598 1 73 . 1 1 7 7 LYS CD C 13 21.033 0.000 . 1 . . . A 6 LYS CD . 17598 1 74 . 1 1 7 7 LYS CE C 13 35.776 0.000 . 1 . . . A 6 LYS CE . 17598 1 75 . 1 1 8 8 GLY H H 1 8.407 0.000 . 1 . . . A 7 GLY H . 17598 1 76 . 1 1 8 8 GLY HA2 H 1 3.974 0.000 . 2 . . . A 7 GLY HA2 . 17598 1 77 . 1 1 8 8 GLY HA3 H 1 3.973 0.000 . 2 . . . A 7 GLY HA3 . 17598 1 78 . 1 1 8 8 GLY CA C 13 44.729 0.000 . 1 . . . A 7 GLY CA . 17598 1 79 . 1 1 9 9 ASN H H 1 8.337 0.000 . 1 . . . A 8 ASN H . 17598 1 80 . 1 1 9 9 ASN HA H 1 4.716 0.000 . 1 . . . A 8 ASN HA . 17598 1 81 . 1 1 9 9 ASN HB2 H 1 2.788 0.000 . 2 . . . A 8 ASN HB2 . 17598 1 82 . 1 1 9 9 ASN HB3 H 1 2.789 0.000 . 2 . . . A 8 ASN HB3 . 17598 1 83 . 1 1 9 9 ASN HD21 H 1 6.925 0.000 . 2 . . . A 8 ASN HD21 . 17598 1 84 . 1 1 9 9 ASN HD22 H 1 7.613 0.000 . 2 . . . A 8 ASN HD22 . 17598 1 85 . 1 1 9 9 ASN CA C 13 52.883 0.000 . 1 . . . A 8 ASN CA . 17598 1 86 . 1 1 9 9 ASN CB C 13 38.892 0.000 . 1 . . . A 8 ASN CB . 17598 1 87 . 1 1 9 9 ASN N N 15 118.812 0.000 . 1 . . . A 8 ASN N . 17598 1 88 . 1 1 9 9 ASN ND2 N 15 113.154 0.000 . 1 . . . A 8 ASN ND2 . 17598 1 89 . 1 1 10 10 LYS H H 1 8.253 0.000 . 1 . . . A 9 LYS H . 17598 1 90 . 1 1 10 10 LYS HA H 1 4.332 0.000 . 1 . . . A 9 LYS HA . 17598 1 91 . 1 1 10 10 LYS HB2 H 1 1.825 0.000 . 2 . . . A 9 LYS HB2 . 17598 1 92 . 1 1 10 10 LYS HB3 H 1 1.826 0.000 . 2 . . . A 9 LYS HB3 . 17598 1 93 . 1 1 10 10 LYS HG2 H 1 1.497 0.000 . 2 . . . A 9 LYS HG2 . 17598 1 94 . 1 1 10 10 LYS HG3 H 1 1.498 0.000 . 2 . . . A 9 LYS HG3 . 17598 1 95 . 1 1 10 10 LYS HD2 H 1 1.680 0.000 . 2 . . . A 9 LYS HD2 . 17598 1 96 . 1 1 10 10 LYS HD3 H 1 1.681 0.000 . 2 . . . A 9 LYS HD3 . 17598 1 97 . 1 1 10 10 LYS HE2 H 1 3.189 0.000 . 2 . . . A 9 LYS HE2 . 17598 1 98 . 1 1 10 10 LYS HE3 H 1 3.190 0.000 . 2 . . . A 9 LYS HE3 . 17598 1 99 . 1 1 10 10 LYS CA C 13 55.970 0.000 . 1 . . . A 9 LYS CA . 17598 1 100 . 1 1 10 10 LYS CB C 13 32.574 0.000 . 1 . . . A 9 LYS CB . 17598 1 101 . 1 1 10 10 LYS CG C 13 24.472 0.000 . 1 . . . A 9 LYS CG . 17598 1 102 . 1 1 10 10 LYS CD C 13 27.035 0.000 . 1 . . . A 9 LYS CD . 17598 1 103 . 1 1 10 10 LYS CE C 13 41.998 0.000 . 1 . . . A 9 LYS CE . 17598 1 104 . 1 1 10 10 LYS N N 15 122.131 0.000 . 1 . . . A 9 LYS N . 17598 1 105 . 1 1 11 11 VAL H H 1 8.428 0.000 . 1 . . . A 10 VAL H . 17598 1 106 . 1 1 11 11 VAL HA H 1 4.136 0.000 . 1 . . . A 10 VAL HA . 17598 1 107 . 1 1 11 11 VAL HB H 1 2.053 0.000 . 1 . . . A 10 VAL HB . 17598 1 108 . 1 1 11 11 VAL HG11 H 1 0.925 0.000 . . . . . A 10 VAL HG11 . 17598 1 109 . 1 1 11 11 VAL HG12 H 1 0.925 0.000 . . . . . A 10 VAL HG12 . 17598 1 110 . 1 1 11 11 VAL HG13 H 1 0.925 0.000 . . . . . A 10 VAL HG13 . 17598 1 111 . 1 1 11 11 VAL HG21 H 1 0.926 0.000 . . . . . A 10 VAL HG21 . 17598 1 112 . 1 1 11 11 VAL HG22 H 1 0.926 0.000 . . . . . A 10 VAL HG22 . 17598 1 113 . 1 1 11 11 VAL HG23 H 1 0.926 0.000 . . . . . A 10 VAL HG23 . 17598 1 114 . 1 1 11 11 VAL CA C 13 62.005 0.000 . 1 . . . A 10 VAL CA . 17598 1 115 . 1 1 11 11 VAL CB C 13 32.822 0.000 . 1 . . . A 10 VAL CB . 17598 1 116 . 1 1 11 11 VAL CG1 C 13 21.000 0.000 . 2 . . . A 10 VAL CG1 . 17598 1 117 . 1 1 11 11 VAL CG2 C 13 21.000 0.000 . 2 . . . A 10 VAL CG2 . 17598 1 118 . 1 1 11 11 VAL N N 15 123.026 0.000 . 1 . . . A 10 VAL N . 17598 1 119 . 1 1 12 12 ILE H H 1 8.345 0.000 . 1 . . . A 11 ILE H . 17598 1 120 . 1 1 12 12 ILE HA H 1 4.104 0.000 . 1 . . . A 11 ILE HA . 17598 1 121 . 1 1 12 12 ILE HB H 1 1.889 0.000 . 1 . . . A 11 ILE HB . 17598 1 122 . 1 1 12 12 ILE HG12 H 1 1.481 0.000 . 2 . . . A 11 ILE HG12 . 17598 1 123 . 1 1 12 12 ILE HG13 H 1 1.232 0.000 . 2 . . . A 11 ILE HG13 . 17598 1 124 . 1 1 12 12 ILE HG21 H 1 0.787 0.000 . . . . . A 11 ILE HG21 . 17598 1 125 . 1 1 12 12 ILE HG22 H 1 0.787 0.000 . . . . . A 11 ILE HG22 . 17598 1 126 . 1 1 12 12 ILE HG23 H 1 0.787 0.000 . . . . . A 11 ILE HG23 . 17598 1 127 . 1 1 12 12 ILE HD11 H 1 0.835 0.000 . . . . . A 11 ILE HD11 . 17598 1 128 . 1 1 12 12 ILE HD12 H 1 0.835 0.000 . . . . . A 11 ILE HD12 . 17598 1 129 . 1 1 12 12 ILE HD13 H 1 0.835 0.000 . . . . . A 11 ILE HD13 . 17598 1 130 . 1 1 12 12 ILE CA C 13 60.002 0.000 . 1 . . . A 11 ILE CA . 17598 1 131 . 1 1 12 12 ILE CB C 13 37.733 0.000 . 1 . . . A 11 ILE CB . 17598 1 132 . 1 1 12 12 ILE CG1 C 13 27.117 0.000 . 1 . . . A 11 ILE CG1 . 17598 1 133 . 1 1 12 12 ILE CG2 C 13 17.812 0.000 . 1 . . . A 11 ILE CG2 . 17598 1 134 . 1 1 12 12 ILE CD1 C 13 12.521 0.000 . 1 . . . A 11 ILE CD1 . 17598 1 135 . 1 1 12 12 ILE N N 15 127.174 0.000 . 1 . . . A 11 ILE N . 17598 1 136 . 1 1 13 13 LYS H H 1 7.662 0.000 . 1 . . . A 12 LYS H . 17598 1 137 . 1 1 13 13 LYS HA H 1 3.817 0.000 . 1 . . . A 12 LYS HA . 17598 1 138 . 1 1 13 13 LYS HB2 H 1 1.616 0.000 . 2 . . . A 12 LYS HB2 . 17598 1 139 . 1 1 13 13 LYS HB3 H 1 1.238 0.000 . 2 . . . A 12 LYS HB3 . 17598 1 140 . 1 1 13 13 LYS HG2 H 1 0.938 0.000 . 2 . . . A 12 LYS HG2 . 17598 1 141 . 1 1 13 13 LYS HG3 H 1 1.236 0.000 . 2 . . . A 12 LYS HG3 . 17598 1 142 . 1 1 13 13 LYS HD2 H 1 1.538 0.000 . 2 . . . A 12 LYS HD2 . 17598 1 143 . 1 1 13 13 LYS HD3 H 1 1.539 0.000 . 2 . . . A 12 LYS HD3 . 17598 1 144 . 1 1 13 13 LYS HE2 H 1 2.932 0.000 . 2 . . . A 12 LYS HE2 . 17598 1 145 . 1 1 13 13 LYS HE3 H 1 2.933 0.000 . 2 . . . A 12 LYS HE3 . 17598 1 146 . 1 1 13 13 LYS CA C 13 53.957 0.000 . 1 . . . A 12 LYS CA . 17598 1 147 . 1 1 13 13 LYS CB C 13 32.517 0.000 . 1 . . . A 12 LYS CB . 17598 1 148 . 1 1 13 13 LYS CG C 13 22.417 0.000 . 1 . . . A 12 LYS CG . 17598 1 149 . 1 1 13 13 LYS CD C 13 29.140 0.000 . 1 . . . A 12 LYS CD . 17598 1 150 . 1 1 13 13 LYS CE C 13 41.619 0.000 . 1 . . . A 12 LYS CE . 17598 1 151 . 1 1 13 13 LYS N N 15 122.906 0.000 . 1 . . . A 12 LYS N . 17598 1 152 . 1 1 14 14 PRO HA H 1 3.925 0.000 . 1 . . . A 13 PRO HA . 17598 1 153 . 1 1 14 14 PRO HB2 H 1 1.986 0.000 . 2 . . . A 13 PRO HB2 . 17598 1 154 . 1 1 14 14 PRO HB3 H 1 1.434 0.000 . 2 . . . A 13 PRO HB3 . 17598 1 155 . 1 1 14 14 PRO HG2 H 1 1.230 0.000 . 2 . . . A 13 PRO HG2 . 17598 1 156 . 1 1 14 14 PRO HG3 H 1 0.957 0.000 . 2 . . . A 13 PRO HG3 . 17598 1 157 . 1 1 14 14 PRO HD2 H 1 2.196 0.000 . 2 . . . A 13 PRO HD2 . 17598 1 158 . 1 1 14 14 PRO HD3 H 1 1.770 0.000 . 2 . . . A 13 PRO HD3 . 17598 1 159 . 1 1 14 14 PRO CA C 13 62.537 0.000 . 1 . . . A 13 PRO CA . 17598 1 160 . 1 1 14 14 PRO CB C 13 31.593 0.000 . 1 . . . A 13 PRO CB . 17598 1 161 . 1 1 14 14 PRO CG C 13 26.953 0.000 . 1 . . . A 13 PRO CG . 17598 1 162 . 1 1 14 14 PRO CD C 13 49.160 0.000 . 1 . . . A 13 PRO CD . 17598 1 163 . 1 1 15 15 ASP H H 1 8.607 0.000 . 1 . . . A 14 ASP H . 17598 1 164 . 1 1 15 15 ASP HA H 1 4.523 0.000 . 1 . . . A 14 ASP HA . 17598 1 165 . 1 1 15 15 ASP HB2 H 1 2.788 0.000 . 2 . . . A 14 ASP HB2 . 17598 1 166 . 1 1 15 15 ASP HB3 H 1 2.565 0.000 . 2 . . . A 14 ASP HB3 . 17598 1 167 . 1 1 15 15 ASP CA C 13 52.974 0.000 . 1 . . . A 14 ASP CA . 17598 1 168 . 1 1 15 15 ASP CB C 13 40.470 0.000 . 1 . . . A 14 ASP CB . 17598 1 169 . 1 1 15 15 ASP N N 15 121.969 0.000 . 1 . . . A 14 ASP N . 17598 1 170 . 1 1 16 16 GLU H H 1 9.032 0.000 . 1 . . . A 15 GLU H . 17598 1 171 . 1 1 16 16 GLU HA H 1 4.192 0.000 . 1 . . . A 15 GLU HA . 17598 1 172 . 1 1 16 16 GLU HB2 H 1 1.965 0.000 . 2 . . . A 15 GLU HB2 . 17598 1 173 . 1 1 16 16 GLU HB3 H 1 1.964 0.000 . 2 . . . A 15 GLU HB3 . 17598 1 174 . 1 1 16 16 GLU HG2 H 1 2.219 0.000 . 2 . . . A 15 GLU HG2 . 17598 1 175 . 1 1 16 16 GLU HG3 H 1 2.218 0.000 . 2 . . . A 15 GLU HG3 . 17598 1 176 . 1 1 16 16 GLU CA C 13 57.651 0.000 . 1 . . . A 15 GLU CA . 17598 1 177 . 1 1 16 16 GLU CB C 13 29.207 0.000 . 1 . . . A 15 GLU CB . 17598 1 178 . 1 1 16 16 GLU CG C 13 36.113 0.000 . 1 . . . A 15 GLU CG . 17598 1 179 . 1 1 16 16 GLU N N 15 126.813 0.000 . 1 . . . A 15 GLU N . 17598 1 180 . 1 1 17 17 THR H H 1 8.453 0.000 . 1 . . . A 16 THR H . 17598 1 181 . 1 1 17 17 THR HA H 1 4.313 0.000 . 1 . . . A 16 THR HA . 17598 1 182 . 1 1 17 17 THR HB H 1 4.308 0.000 . 1 . . . A 16 THR HB . 17598 1 183 . 1 1 17 17 THR HG21 H 1 1.158 0.000 . . . . . A 16 THR HG21 . 17598 1 184 . 1 1 17 17 THR HG22 H 1 1.158 0.000 . . . . . A 16 THR HG22 . 17598 1 185 . 1 1 17 17 THR HG23 H 1 1.158 0.000 . . . . . A 16 THR HG23 . 17598 1 186 . 1 1 17 17 THR CA C 13 61.660 0.000 . 1 . . . A 16 THR CA . 17598 1 187 . 1 1 17 17 THR CB C 13 69.392 0.000 . 1 . . . A 16 THR CB . 17598 1 188 . 1 1 17 17 THR CG2 C 13 21.678 0.000 . 1 . . . A 16 THR CG2 . 17598 1 189 . 1 1 17 17 THR N N 15 110.875 0.000 . 1 . . . A 16 THR N . 17598 1 190 . 1 1 18 18 ARG H H 1 6.969 0.000 . 1 . . . A 17 ARG H . 17598 1 191 . 1 1 18 18 ARG HA H 1 4.107 0.000 . 1 . . . A 17 ARG HA . 17598 1 192 . 1 1 18 18 ARG HB2 H 1 1.644 0.000 . 2 . . . A 17 ARG HB2 . 17598 1 193 . 1 1 18 18 ARG HB3 H 1 1.510 0.000 . 2 . . . A 17 ARG HB3 . 17598 1 194 . 1 1 18 18 ARG HG2 H 1 1.289 0.000 . 2 . . . A 17 ARG HG2 . 17598 1 195 . 1 1 18 18 ARG HG3 H 1 1.497 0.000 . 2 . . . A 17 ARG HG3 . 17598 1 196 . 1 1 18 18 ARG HD2 H 1 3.040 0.000 . 2 . . . A 17 ARG HD2 . 17598 1 197 . 1 1 18 18 ARG HD3 H 1 2.901 0.000 . 2 . . . A 17 ARG HD3 . 17598 1 198 . 1 1 18 18 ARG HE H 1 6.868 0.000 . 1 . . . A 17 ARG HE . 17598 1 199 . 1 1 18 18 ARG CA C 13 55.933 0.000 . 1 . . . A 17 ARG CA . 17598 1 200 . 1 1 18 18 ARG CB C 13 31.021 0.000 . 1 . . . A 17 ARG CB . 17598 1 201 . 1 1 18 18 ARG CG C 13 26.398 0.000 . 1 . . . A 17 ARG CG . 17598 1 202 . 1 1 18 18 ARG CD C 13 42.313 0.000 . 1 . . . A 17 ARG CD . 17598 1 203 . 1 1 18 18 ARG N N 15 124.313 0.000 . 1 . . . A 17 ARG N . 17598 1 204 . 1 1 18 18 ARG NE N 15 78.698 0.000 . 1 . . . A 17 ARG NE . 17598 1 205 . 1 1 19 19 VAL H H 1 8.494 0.000 . 1 . . . A 18 VAL H . 17598 1 206 . 1 1 19 19 VAL HA H 1 3.793 0.000 . 1 . . . A 18 VAL HA . 17598 1 207 . 1 1 19 19 VAL HB H 1 1.905 0.000 . 1 . . . A 18 VAL HB . 17598 1 208 . 1 1 19 19 VAL HG11 H 1 0.961 0.000 . . . . . A 18 VAL HG11 . 17598 1 209 . 1 1 19 19 VAL HG12 H 1 0.961 0.000 . . . . . A 18 VAL HG12 . 17598 1 210 . 1 1 19 19 VAL HG13 H 1 0.961 0.000 . . . . . A 18 VAL HG13 . 17598 1 211 . 1 1 19 19 VAL HG21 H 1 0.960 0.000 . . . . . A 18 VAL HG21 . 17598 1 212 . 1 1 19 19 VAL HG22 H 1 0.960 0.000 . . . . . A 18 VAL HG22 . 17598 1 213 . 1 1 19 19 VAL HG23 H 1 0.960 0.000 . . . . . A 18 VAL HG23 . 17598 1 214 . 1 1 19 19 VAL CA C 13 62.530 0.000 . 1 . . . A 18 VAL CA . 17598 1 215 . 1 1 19 19 VAL CB C 13 31.021 0.000 . 1 . . . A 18 VAL CB . 17598 1 216 . 1 1 19 19 VAL CG1 C 13 21.028 0.000 . 2 . . . A 18 VAL CG1 . 17598 1 217 . 1 1 19 19 VAL CG2 C 13 21.027 0.000 . 2 . . . A 18 VAL CG2 . 17598 1 218 . 1 1 19 19 VAL N N 15 127.750 0.000 . 1 . . . A 18 VAL N . 17598 1 219 . 1 1 20 20 LYS H H 1 8.406 0.000 . 1 . . . A 19 LYS H . 17598 1 220 . 1 1 20 20 LYS HA H 1 4.082 0.000 . 1 . . . A 19 LYS HA . 17598 1 221 . 1 1 20 20 LYS HB2 H 1 1.475 0.000 . 2 . . . A 19 LYS HB2 . 17598 1 222 . 1 1 20 20 LYS HB3 H 1 1.650 0.000 . 2 . . . A 19 LYS HB3 . 17598 1 223 . 1 1 20 20 LYS HG2 H 1 1.197 0.000 . 2 . . . A 19 LYS HG2 . 17598 1 224 . 1 1 20 20 LYS HG3 H 1 1.493 0.000 . 2 . . . A 19 LYS HG3 . 17598 1 225 . 1 1 20 20 LYS HD2 H 1 1.536 0.000 . 2 . . . A 19 LYS HD2 . 17598 1 226 . 1 1 20 20 LYS HD3 H 1 1.456 0.000 . 2 . . . A 19 LYS HD3 . 17598 1 227 . 1 1 20 20 LYS HE2 H 1 2.894 0.000 . 2 . . . A 19 LYS HE2 . 17598 1 228 . 1 1 20 20 LYS HE3 H 1 2.778 0.000 . 2 . . . A 19 LYS HE3 . 17598 1 229 . 1 1 20 20 LYS CA C 13 56.797 0.000 . 1 . . . A 19 LYS CA . 17598 1 230 . 1 1 20 20 LYS CB C 13 33.025 0.000 . 1 . . . A 19 LYS CB . 17598 1 231 . 1 1 20 20 LYS CG C 13 25.842 0.000 . 1 . . . A 19 LYS CG . 17598 1 232 . 1 1 20 20 LYS CD C 13 29.266 0.000 . 1 . . . A 19 LYS CD . 17598 1 233 . 1 1 20 20 LYS CE C 13 42.405 0.000 . 1 . . . A 19 LYS CE . 17598 1 234 . 1 1 20 20 LYS N N 15 129.005 0.000 . 1 . . . A 19 LYS N . 17598 1 235 . 1 1 21 21 GLN H H 1 9.783 0.000 . 1 . . . A 20 GLN H . 17598 1 236 . 1 1 21 21 GLN HA H 1 4.431 0.000 . 1 . . . A 20 GLN HA . 17598 1 237 . 1 1 21 21 GLN HB2 H 1 2.645 0.000 . 2 . . . A 20 GLN HB2 . 17598 1 238 . 1 1 21 21 GLN HB3 H 1 2.146 0.000 . 2 . . . A 20 GLN HB3 . 17598 1 239 . 1 1 21 21 GLN HG2 H 1 2.717 0.000 . 2 . . . A 20 GLN HG2 . 17598 1 240 . 1 1 21 21 GLN HG3 H 1 2.590 0.000 . 2 . . . A 20 GLN HG3 . 17598 1 241 . 1 1 21 21 GLN HE21 H 1 7.428 0.000 . 2 . . . A 20 GLN HE21 . 17598 1 242 . 1 1 21 21 GLN HE22 H 1 7.739 0.000 . 2 . . . A 20 GLN HE22 . 17598 1 243 . 1 1 21 21 GLN CA C 13 56.697 0.000 . 1 . . . A 20 GLN CA . 17598 1 244 . 1 1 21 21 GLN CB C 13 29.207 0.000 . 1 . . . A 20 GLN CB . 17598 1 245 . 1 1 21 21 GLN CG C 13 34.654 0.000 . 1 . . . A 20 GLN CG . 17598 1 246 . 1 1 21 21 GLN N N 15 122.125 0.000 . 1 . . . A 20 GLN N . 17598 1 247 . 1 1 21 21 GLN NE2 N 15 113.161 0.000 . 1 . . . A 20 GLN NE2 . 17598 1 248 . 1 1 22 22 PHE H H 1 9.214 0.000 . 1 . . . A 21 PHE H . 17598 1 249 . 1 1 22 22 PHE HA H 1 4.292 0.000 . 1 . . . A 21 PHE HA . 17598 1 250 . 1 1 22 22 PHE HB2 H 1 3.507 0.000 . 2 . . . A 21 PHE HB2 . 17598 1 251 . 1 1 22 22 PHE HB3 H 1 2.952 0.000 . 2 . . . A 21 PHE HB3 . 17598 1 252 . 1 1 22 22 PHE HD1 H 1 7.178 0.000 . 3 . . . A 21 PHE HD1 . 17598 1 253 . 1 1 22 22 PHE HD2 H 1 7.178 0.000 . 3 . . . A 21 PHE HD2 . 17598 1 254 . 1 1 22 22 PHE HE1 H 1 7.340 0.000 . 3 . . . A 21 PHE HE1 . 17598 1 255 . 1 1 22 22 PHE HE2 H 1 7.340 0.000 . 3 . . . A 21 PHE HE2 . 17598 1 256 . 1 1 22 22 PHE HZ H 1 7.182 0.000 . 1 . . . A 21 PHE HZ . 17598 1 257 . 1 1 22 22 PHE CA C 13 61.906 0.000 . 1 . . . A 21 PHE CA . 17598 1 258 . 1 1 22 22 PHE CB C 13 39.105 0.000 . 1 . . . A 21 PHE CB . 17598 1 259 . 1 1 22 22 PHE CD1 C 13 130.579 0.000 . 3 . . . A 21 PHE CD1 . 17598 1 260 . 1 1 22 22 PHE CD2 C 13 130.579 0.000 . 3 . . . A 21 PHE CD2 . 17598 1 261 . 1 1 22 22 PHE CE1 C 13 130.504 0.000 . 3 . . . A 21 PHE CE1 . 17598 1 262 . 1 1 22 22 PHE CE2 C 13 130.504 0.000 . 3 . . . A 21 PHE CE2 . 17598 1 263 . 1 1 22 22 PHE CZ C 13 122.104 0.000 . 1 . . . A 21 PHE CZ . 17598 1 264 . 1 1 22 22 PHE N N 15 126.785 0.000 . 1 . . . A 21 PHE N . 17598 1 265 . 1 1 23 23 LEU H H 1 9.173 0.000 . 1 . . . A 22 LEU H . 17598 1 266 . 1 1 23 23 LEU HA H 1 4.120 0.000 . 1 . . . A 22 LEU HA . 17598 1 267 . 1 1 23 23 LEU HB2 H 1 1.685 0.000 . 2 . . . A 22 LEU HB2 . 17598 1 268 . 1 1 23 23 LEU HB3 H 1 1.927 0.000 . 2 . . . A 22 LEU HB3 . 17598 1 269 . 1 1 23 23 LEU HG H 1 1.687 0.000 . 1 . . . A 22 LEU HG . 17598 1 270 . 1 1 23 23 LEU HD11 H 1 0.402 0.000 . . . . . A 22 LEU HD11 . 17598 1 271 . 1 1 23 23 LEU HD12 H 1 0.402 0.000 . . . . . A 22 LEU HD12 . 17598 1 272 . 1 1 23 23 LEU HD13 H 1 0.402 0.000 . . . . . A 22 LEU HD13 . 17598 1 273 . 1 1 23 23 LEU HD21 H 1 -0.012 0.000 . . . . . A 22 LEU HD21 . 17598 1 274 . 1 1 23 23 LEU HD22 H 1 -0.012 0.000 . . . . . A 22 LEU HD22 . 17598 1 275 . 1 1 23 23 LEU HD23 H 1 -0.012 0.000 . . . . . A 22 LEU HD23 . 17598 1 276 . 1 1 23 23 LEU CA C 13 56.358 0.000 . 1 . . . A 22 LEU CA . 17598 1 277 . 1 1 23 23 LEU CB C 13 40.097 0.000 . 1 . . . A 22 LEU CB . 17598 1 278 . 1 1 23 23 LEU CG C 13 26.456 0.000 . 1 . . . A 22 LEU CG . 17598 1 279 . 1 1 23 23 LEU CD1 C 13 24.879 0.000 . 2 . . . A 22 LEU CD1 . 17598 1 280 . 1 1 23 23 LEU CD2 C 13 20.856 0.000 . 2 . . . A 22 LEU CD2 . 17598 1 281 . 1 1 23 23 LEU N N 15 115.846 0.000 . 1 . . . A 22 LEU N . 17598 1 282 . 1 1 24 24 GLU H H 1 7.789 0.000 . 1 . . . A 23 GLU H . 17598 1 283 . 1 1 24 24 GLU HA H 1 4.811 0.000 . 1 . . . A 23 GLU HA . 17598 1 284 . 1 1 24 24 GLU HB2 H 1 2.414 0.000 . 2 . . . A 23 GLU HB2 . 17598 1 285 . 1 1 24 24 GLU HB3 H 1 2.415 0.000 . 2 . . . A 23 GLU HB3 . 17598 1 286 . 1 1 24 24 GLU HG2 H 1 2.204 0.000 . 2 . . . A 23 GLU HG2 . 17598 1 287 . 1 1 24 24 GLU HG3 H 1 1.994 0.000 . 2 . . . A 23 GLU HG3 . 17598 1 288 . 1 1 24 24 GLU CA C 13 56.655 0.000 . 1 . . . A 23 GLU CA . 17598 1 289 . 1 1 24 24 GLU CB C 13 29.298 0.000 . 1 . . . A 23 GLU CB . 17598 1 290 . 1 1 24 24 GLU CG C 13 40.122 0.000 . 1 . . . A 23 GLU CG . 17598 1 291 . 1 1 24 24 GLU N N 15 117.032 0.000 . 1 . . . A 23 GLU N . 17598 1 292 . 1 1 25 25 GLY H H 1 7.640 0.000 . 1 . . . A 24 GLY H . 17598 1 293 . 1 1 25 25 GLY HA2 H 1 3.122 0.000 . 2 . . . A 24 GLY HA2 . 17598 1 294 . 1 1 25 25 GLY HA3 H 1 3.898 0.000 . 2 . . . A 24 GLY HA3 . 17598 1 295 . 1 1 25 25 GLY CA C 13 44.407 0.000 . 1 . . . A 24 GLY CA . 17598 1 296 . 1 1 25 25 GLY N N 15 105.050 0.000 . 1 . . . A 24 GLY N . 17598 1 297 . 1 1 26 26 PHE H H 1 6.508 0.000 . 1 . . . A 25 PHE H . 17598 1 298 . 1 1 26 26 PHE HA H 1 4.504 0.000 . 1 . . . A 25 PHE HA . 17598 1 299 . 1 1 26 26 PHE HB2 H 1 2.936 0.000 . 2 . . . A 25 PHE HB2 . 17598 1 300 . 1 1 26 26 PHE HB3 H 1 2.467 0.000 . 2 . . . A 25 PHE HB3 . 17598 1 301 . 1 1 26 26 PHE HD1 H 1 6.981 0.000 . 3 . . . A 25 PHE HD1 . 17598 1 302 . 1 1 26 26 PHE HD2 H 1 6.981 0.000 . 3 . . . A 25 PHE HD2 . 17598 1 303 . 1 1 26 26 PHE HE1 H 1 6.625 0.000 . 3 . . . A 25 PHE HE1 . 17598 1 304 . 1 1 26 26 PHE HE2 H 1 6.625 0.000 . 3 . . . A 25 PHE HE2 . 17598 1 305 . 1 1 26 26 PHE HZ H 1 6.978 0.000 . 1 . . . A 25 PHE HZ . 17598 1 306 . 1 1 26 26 PHE CA C 13 55.527 0.000 . 1 . . . A 25 PHE CA . 17598 1 307 . 1 1 26 26 PHE CB C 13 43.117 0.000 . 1 . . . A 25 PHE CB . 17598 1 308 . 1 1 26 26 PHE CD1 C 13 130.443 0.000 . 3 . . . A 25 PHE CD1 . 17598 1 309 . 1 1 26 26 PHE CD2 C 13 130.443 0.000 . 3 . . . A 25 PHE CD2 . 17598 1 310 . 1 1 26 26 PHE CE1 C 13 130.401 0.000 . 3 . . . A 25 PHE CE1 . 17598 1 311 . 1 1 26 26 PHE CE2 C 13 130.401 0.000 . 3 . . . A 25 PHE CE2 . 17598 1 312 . 1 1 26 26 PHE CZ C 13 122.104 0.000 . 1 . . . A 25 PHE CZ . 17598 1 313 . 1 1 26 26 PHE N N 15 115.467 0.000 . 1 . . . A 25 PHE N . 17598 1 314 . 1 1 27 27 ASN H H 1 8.788 0.000 . 1 . . . A 26 ASN H . 17598 1 315 . 1 1 27 27 ASN HA H 1 4.488 0.000 . 1 . . . A 26 ASN HA . 17598 1 316 . 1 1 27 27 ASN HB2 H 1 3.138 0.000 . 2 . . . A 26 ASN HB2 . 17598 1 317 . 1 1 27 27 ASN HB3 H 1 2.734 0.000 . 2 . . . A 26 ASN HB3 . 17598 1 318 . 1 1 27 27 ASN CA C 13 53.029 0.000 . 1 . . . A 26 ASN CA . 17598 1 319 . 1 1 27 27 ASN CB C 13 37.718 0.000 . 1 . . . A 26 ASN CB . 17598 1 320 . 1 1 27 27 ASN N N 15 118.006 0.000 . 1 . . . A 26 ASN N . 17598 1 321 . 1 1 28 28 ILE H H 1 9.557 0.000 . 1 . . . A 27 ILE H . 17598 1 322 . 1 1 28 28 ILE HA H 1 3.688 0.000 . 1 . . . A 27 ILE HA . 17598 1 323 . 1 1 28 28 ILE HB H 1 1.861 0.000 . 1 . . . A 27 ILE HB . 17598 1 324 . 1 1 28 28 ILE HG12 H 1 1.530 0.000 . 2 . . . A 27 ILE HG12 . 17598 1 325 . 1 1 28 28 ILE HG13 H 1 1.412 0.000 . 2 . . . A 27 ILE HG13 . 17598 1 326 . 1 1 28 28 ILE HG21 H 1 1.010 0.000 . . . . . A 27 ILE HG21 . 17598 1 327 . 1 1 28 28 ILE HG22 H 1 1.010 0.000 . . . . . A 27 ILE HG22 . 17598 1 328 . 1 1 28 28 ILE HG23 H 1 1.010 0.000 . . . . . A 27 ILE HG23 . 17598 1 329 . 1 1 28 28 ILE HD11 H 1 0.780 0.000 . . . . . A 27 ILE HD11 . 17598 1 330 . 1 1 28 28 ILE HD12 H 1 0.780 0.000 . . . . . A 27 ILE HD12 . 17598 1 331 . 1 1 28 28 ILE HD13 H 1 0.780 0.000 . . . . . A 27 ILE HD13 . 17598 1 332 . 1 1 28 28 ILE CA C 13 63.907 0.000 . 1 . . . A 27 ILE CA . 17598 1 333 . 1 1 28 28 ILE CB C 13 39.043 0.000 . 1 . . . A 27 ILE CB . 17598 1 334 . 1 1 28 28 ILE CG1 C 13 29.954 0.000 . 1 . . . A 27 ILE CG1 . 17598 1 335 . 1 1 28 28 ILE CG2 C 13 16.260 0.000 . 1 . . . A 27 ILE CG2 . 17598 1 336 . 1 1 28 28 ILE CD1 C 13 14.136 0.000 . 1 . . . A 27 ILE CD1 . 17598 1 337 . 1 1 28 28 ILE N N 15 129.126 0.000 . 1 . . . A 27 ILE N . 17598 1 338 . 1 1 29 29 GLU H H 1 9.064 0.000 . 1 . . . A 28 GLU H . 17598 1 339 . 1 1 29 29 GLU HA H 1 4.229 0.000 . 1 . . . A 28 GLU HA . 17598 1 340 . 1 1 29 29 GLU HB2 H 1 2.128 0.000 . 2 . . . A 28 GLU HB2 . 17598 1 341 . 1 1 29 29 GLU HB3 H 1 1.958 0.000 . 2 . . . A 28 GLU HB3 . 17598 1 342 . 1 1 29 29 GLU HG2 H 1 2.371 0.000 . 2 . . . A 28 GLU HG2 . 17598 1 343 . 1 1 29 29 GLU HG3 H 1 2.370 0.000 . 2 . . . A 28 GLU HG3 . 17598 1 344 . 1 1 29 29 GLU CA C 13 58.347 0.000 . 1 . . . A 28 GLU CA . 17598 1 345 . 1 1 29 29 GLU CB C 13 28.129 0.000 . 1 . . . A 28 GLU CB . 17598 1 346 . 1 1 29 29 GLU CG C 13 36.760 0.000 . 1 . . . A 28 GLU CG . 17598 1 347 . 1 1 29 29 GLU N N 15 120.068 0.000 . 1 . . . A 28 GLU N . 17598 1 348 . 1 1 30 30 THR H H 1 7.789 0.000 . 1 . . . A 29 THR H . 17598 1 349 . 1 1 30 30 THR HA H 1 4.303 0.000 . 1 . . . A 29 THR HA . 17598 1 350 . 1 1 30 30 THR HB H 1 4.287 0.000 . 1 . . . A 29 THR HB . 17598 1 351 . 1 1 30 30 THR HG21 H 1 1.177 0.000 . . . . . A 29 THR HG21 . 17598 1 352 . 1 1 30 30 THR HG22 H 1 1.177 0.000 . . . . . A 29 THR HG22 . 17598 1 353 . 1 1 30 30 THR HG23 H 1 1.177 0.000 . . . . . A 29 THR HG23 . 17598 1 354 . 1 1 30 30 THR CA C 13 62.079 0.000 . 1 . . . A 29 THR CA . 17598 1 355 . 1 1 30 30 THR CB C 13 69.583 0.000 . 1 . . . A 29 THR CB . 17598 1 356 . 1 1 30 30 THR CG2 C 13 21.744 0.000 . 1 . . . A 29 THR CG2 . 17598 1 357 . 1 1 30 30 THR N N 15 109.404 0.000 . 1 . . . A 29 THR N . 17598 1 358 . 1 1 31 31 PHE H H 1 7.236 0.000 . 1 . . . A 30 PHE H . 17598 1 359 . 1 1 31 31 PHE HA H 1 5.426 0.000 . 1 . . . A 30 PHE HA . 17598 1 360 . 1 1 31 31 PHE HB2 H 1 3.054 0.000 . 2 . . . A 30 PHE HB2 . 17598 1 361 . 1 1 31 31 PHE HB3 H 1 2.779 0.000 . 2 . . . A 30 PHE HB3 . 17598 1 362 . 1 1 31 31 PHE HD1 H 1 7.127 0.000 . 3 . . . A 30 PHE HD1 . 17598 1 363 . 1 1 31 31 PHE HD2 H 1 7.127 0.000 . 3 . . . A 30 PHE HD2 . 17598 1 364 . 1 1 31 31 PHE HE1 H 1 6.970 0.000 . 3 . . . A 30 PHE HE1 . 17598 1 365 . 1 1 31 31 PHE HE2 H 1 6.970 0.000 . 3 . . . A 30 PHE HE2 . 17598 1 366 . 1 1 31 31 PHE HZ H 1 7.350 0.000 . 1 . . . A 30 PHE HZ . 17598 1 367 . 1 1 31 31 PHE CA C 13 55.456 0.000 . 1 . . . A 30 PHE CA . 17598 1 368 . 1 1 31 31 PHE CB C 13 39.993 0.000 . 1 . . . A 30 PHE CB . 17598 1 369 . 1 1 31 31 PHE CD1 C 13 129.556 0.000 . 3 . . . A 30 PHE CD1 . 17598 1 370 . 1 1 31 31 PHE CD2 C 13 129.556 0.000 . 3 . . . A 30 PHE CD2 . 17598 1 371 . 1 1 31 31 PHE CE1 C 13 129.239 0.000 . 3 . . . A 30 PHE CE1 . 17598 1 372 . 1 1 31 31 PHE CE2 C 13 129.239 0.000 . 3 . . . A 30 PHE CE2 . 17598 1 373 . 1 1 31 31 PHE CZ C 13 129.197 0.000 . 1 . . . A 30 PHE CZ . 17598 1 374 . 1 1 31 31 PHE N N 15 120.250 0.000 . 1 . . . A 30 PHE N . 17598 1 375 . 1 1 32 32 GLU H H 1 8.644 0.000 . 1 . . . A 31 GLU H . 17598 1 376 . 1 1 32 32 GLU HA H 1 4.787 0.000 . 1 . . . A 31 GLU HA . 17598 1 377 . 1 1 32 32 GLU HB2 H 1 1.918 0.000 . 2 . . . A 31 GLU HB2 . 17598 1 378 . 1 1 32 32 GLU HB3 H 1 1.914 0.000 . 2 . . . A 31 GLU HB3 . 17598 1 379 . 1 1 32 32 GLU HG2 H 1 2.288 0.000 . 2 . . . A 31 GLU HG2 . 17598 1 380 . 1 1 32 32 GLU HG3 H 1 2.144 0.000 . 2 . . . A 31 GLU HG3 . 17598 1 381 . 1 1 32 32 GLU CA C 13 53.929 0.000 . 1 . . . A 31 GLU CA . 17598 1 382 . 1 1 32 32 GLU CB C 13 33.693 0.000 . 1 . . . A 31 GLU CB . 17598 1 383 . 1 1 32 32 GLU CG C 13 35.928 0.000 . 1 . . . A 31 GLU CG . 17598 1 384 . 1 1 32 32 GLU N N 15 118.531 0.000 . 1 . . . A 31 GLU N . 17598 1 385 . 1 1 33 33 MET H H 1 9.679 0.000 . 1 . . . A 32 MET H . 17598 1 386 . 1 1 33 33 MET HA H 1 4.643 0.000 . 1 . . . A 32 MET HA . 17598 1 387 . 1 1 33 33 MET HB2 H 1 1.642 0.000 . 2 . . . A 32 MET HB2 . 17598 1 388 . 1 1 33 33 MET HB3 H 1 1.797 0.000 . 2 . . . A 32 MET HB3 . 17598 1 389 . 1 1 33 33 MET HG2 H 1 2.394 0.000 . 2 . . . A 32 MET HG2 . 17598 1 390 . 1 1 33 33 MET HG3 H 1 2.395 0.000 . 2 . . . A 32 MET HG3 . 17598 1 391 . 1 1 33 33 MET HE1 H 1 1.935 0.000 . . . . . A 32 MET HE1 . 17598 1 392 . 1 1 33 33 MET HE2 H 1 1.935 0.000 . . . . . A 32 MET HE2 . 17598 1 393 . 1 1 33 33 MET HE3 H 1 1.935 0.000 . . . . . A 32 MET HE3 . 17598 1 394 . 1 1 33 33 MET CA C 13 56.411 0.000 . 1 . . . A 32 MET CA . 17598 1 395 . 1 1 33 33 MET CB C 13 32.050 0.000 . 1 . . . A 32 MET CB . 17598 1 396 . 1 1 33 33 MET CG C 13 34.169 0.000 . 1 . . . A 32 MET CG . 17598 1 397 . 1 1 33 33 MET CE C 13 19.960 0.000 . 1 . . . A 32 MET CE . 17598 1 398 . 1 1 33 33 MET N N 15 127.438 0.000 . 1 . . . A 32 MET N . 17598 1 399 . 1 1 34 34 VAL H H 1 8.897 0.000 . 1 . . . A 33 VAL H . 17598 1 400 . 1 1 34 34 VAL HA H 1 4.774 0.000 . 1 . . . A 33 VAL HA . 17598 1 401 . 1 1 34 34 VAL HB H 1 2.433 0.000 . 1 . . . A 33 VAL HB . 17598 1 402 . 1 1 34 34 VAL HG11 H 1 0.697 0.000 . . . . . A 33 VAL HG11 . 17598 1 403 . 1 1 34 34 VAL HG12 H 1 0.697 0.000 . . . . . A 33 VAL HG12 . 17598 1 404 . 1 1 34 34 VAL HG13 H 1 0.697 0.000 . . . . . A 33 VAL HG13 . 17598 1 405 . 1 1 34 34 VAL HG21 H 1 0.893 0.000 . . . . . A 33 VAL HG21 . 17598 1 406 . 1 1 34 34 VAL HG22 H 1 0.893 0.000 . . . . . A 33 VAL HG22 . 17598 1 407 . 1 1 34 34 VAL HG23 H 1 0.893 0.000 . . . . . A 33 VAL HG23 . 17598 1 408 . 1 1 34 34 VAL CA C 13 60.996 0.000 . 1 . . . A 33 VAL CA . 17598 1 409 . 1 1 34 34 VAL CB C 13 32.849 0.000 . 1 . . . A 33 VAL CB . 17598 1 410 . 1 1 34 34 VAL CG1 C 13 19.181 0.000 . 2 . . . A 33 VAL CG1 . 17598 1 411 . 1 1 34 34 VAL CG2 C 13 21.992 0.000 . 2 . . . A 33 VAL CG2 . 17598 1 412 . 1 1 34 34 VAL N N 15 119.176 0.000 . 1 . . . A 33 VAL N . 17598 1 413 . 1 1 35 35 GLY H H 1 7.589 0.000 . 1 . . . A 34 GLY H . 17598 1 414 . 1 1 35 35 GLY HA2 H 1 4.533 0.000 . 2 . . . A 34 GLY HA2 . 17598 1 415 . 1 1 35 35 GLY HA3 H 1 4.119 0.000 . 2 . . . A 34 GLY HA3 . 17598 1 416 . 1 1 35 35 GLY CA C 13 45.184 0.000 . 1 . . . A 34 GLY CA . 17598 1 417 . 1 1 35 35 GLY N N 15 108.249 0.000 . 1 . . . A 34 GLY N . 17598 1 418 . 1 1 36 36 THR H H 1 8.300 0.000 . 1 . . . A 35 THR H . 17598 1 419 . 1 1 36 36 THR HA H 1 5.088 0.000 . 1 . . . A 35 THR HA . 17598 1 420 . 1 1 36 36 THR HB H 1 4.039 0.000 . 1 . . . A 35 THR HB . 17598 1 421 . 1 1 36 36 THR HG21 H 1 1.022 0.000 . . . . . A 35 THR HG21 . 17598 1 422 . 1 1 36 36 THR HG22 H 1 1.022 0.000 . . . . . A 35 THR HG22 . 17598 1 423 . 1 1 36 36 THR HG23 H 1 1.022 0.000 . . . . . A 35 THR HG23 . 17598 1 424 . 1 1 36 36 THR CA C 13 60.060 0.000 . 1 . . . A 35 THR CA . 17598 1 425 . 1 1 36 36 THR CB C 13 72.335 0.000 . 1 . . . A 35 THR CB . 17598 1 426 . 1 1 36 36 THR CG2 C 13 22.665 0.000 . 1 . . . A 35 THR CG2 . 17598 1 427 . 1 1 36 36 THR N N 15 110.562 0.000 . 1 . . . A 35 THR N . 17598 1 428 . 1 1 37 37 LEU H H 1 8.886 0.000 . 1 . . . A 36 LEU H . 17598 1 429 . 1 1 37 37 LEU HA H 1 4.705 0.000 . 1 . . . A 36 LEU HA . 17598 1 430 . 1 1 37 37 LEU HB2 H 1 1.531 0.000 . 2 . . . A 36 LEU HB2 . 17598 1 431 . 1 1 37 37 LEU HB3 H 1 1.412 0.000 . 2 . . . A 36 LEU HB3 . 17598 1 432 . 1 1 37 37 LEU HG H 1 1.458 0.000 . 1 . . . A 36 LEU HG . 17598 1 433 . 1 1 37 37 LEU HD11 H 1 0.875 0.000 . . . . . A 36 LEU HD11 . 17598 1 434 . 1 1 37 37 LEU HD12 H 1 0.875 0.000 . . . . . A 36 LEU HD12 . 17598 1 435 . 1 1 37 37 LEU HD13 H 1 0.875 0.000 . . . . . A 36 LEU HD13 . 17598 1 436 . 1 1 37 37 LEU HD21 H 1 0.691 0.000 . . . . . A 36 LEU HD21 . 17598 1 437 . 1 1 37 37 LEU HD22 H 1 0.691 0.000 . . . . . A 36 LEU HD22 . 17598 1 438 . 1 1 37 37 LEU HD23 H 1 0.691 0.000 . . . . . A 36 LEU HD23 . 17598 1 439 . 1 1 37 37 LEU CA C 13 54.521 0.000 . 1 . . . A 36 LEU CA . 17598 1 440 . 1 1 37 37 LEU CB C 13 46.315 0.000 . 1 . . . A 36 LEU CB . 17598 1 441 . 1 1 37 37 LEU CG C 13 27.138 0.000 . 1 . . . A 36 LEU CG . 17598 1 442 . 1 1 37 37 LEU CD1 C 13 20.736 0.000 . 2 . . . A 36 LEU CD1 . 17598 1 443 . 1 1 37 37 LEU CD2 C 13 19.092 0.000 . 2 . . . A 36 LEU CD2 . 17598 1 444 . 1 1 37 37 LEU N N 15 122.334 0.000 . 1 . . . A 36 LEU N . 17598 1 445 . 1 1 38 38 SER H H 1 8.694 0.000 . 1 . . . A 37 SER H . 17598 1 446 . 1 1 38 38 SER HA H 1 5.489 0.000 . 1 . . . A 37 SER HA . 17598 1 447 . 1 1 38 38 SER HB2 H 1 3.870 0.000 . 2 . . . A 37 SER HB2 . 17598 1 448 . 1 1 38 38 SER HB3 H 1 3.688 0.000 . 2 . . . A 37 SER HB3 . 17598 1 449 . 1 1 38 38 SER CA C 13 56.819 0.000 . 1 . . . A 37 SER CA . 17598 1 450 . 1 1 38 38 SER CB C 13 64.655 0.000 . 1 . . . A 37 SER CB . 17598 1 451 . 1 1 38 38 SER N N 15 119.156 0.000 . 1 . . . A 37 SER N . 17598 1 452 . 1 1 39 39 ASN H H 1 9.068 0.000 . 1 . . . A 38 ASN H . 17598 1 453 . 1 1 39 39 ASN HB2 H 1 3.410 0.000 . 2 . . . A 38 ASN HB2 . 17598 1 454 . 1 1 39 39 ASN HB3 H 1 3.012 0.000 . 2 . . . A 38 ASN HB3 . 17598 1 455 . 1 1 39 39 ASN HD21 H 1 6.474 0.000 . 2 . . . A 38 ASN HD21 . 17598 1 456 . 1 1 39 39 ASN HD22 H 1 7.515 0.000 . 2 . . . A 38 ASN HD22 . 17598 1 457 . 1 1 39 39 ASN CA C 13 51.804 0.000 . 1 . . . A 38 ASN CA . 17598 1 458 . 1 1 39 39 ASN CB C 13 38.863 0.000 . 1 . . . A 38 ASN CB . 17598 1 459 . 1 1 39 39 ASN N N 15 124.156 0.000 . 1 . . . A 38 ASN N . 17598 1 460 . 1 1 39 39 ASN ND2 N 15 109.871 0.000 . 1 . . . A 38 ASN ND2 . 17598 1 461 . 1 1 40 40 ALA HA H 1 4.167 0.000 . 1 . . . A 39 ALA HA . 17598 1 462 . 1 1 40 40 ALA HB1 H 1 1.458 0.000 . . . . . A 39 ALA HB1 . 17598 1 463 . 1 1 40 40 ALA HB2 H 1 1.458 0.000 . . . . . A 39 ALA HB2 . 17598 1 464 . 1 1 40 40 ALA HB3 H 1 1.458 0.000 . . . . . A 39 ALA HB3 . 17598 1 465 . 1 1 40 40 ALA CA C 13 54.726 0.000 . 1 . . . A 39 ALA CA . 17598 1 466 . 1 1 40 40 ALA CB C 13 18.211 0.000 . 1 . . . A 39 ALA CB . 17598 1 467 . 1 1 41 41 GLN H H 1 8.399 0.000 . 1 . . . A 40 GLN H . 17598 1 468 . 1 1 41 41 GLN HA H 1 4.350 0.000 . 1 . . . A 40 GLN HA . 17598 1 469 . 1 1 41 41 GLN HB2 H 1 2.396 0.000 . 2 . . . A 40 GLN HB2 . 17598 1 470 . 1 1 41 41 GLN HB3 H 1 2.395 0.000 . 2 . . . A 40 GLN HB3 . 17598 1 471 . 1 1 41 41 GLN HG2 H 1 2.384 0.000 . 2 . . . A 40 GLN HG2 . 17598 1 472 . 1 1 41 41 GLN HG3 H 1 2.456 0.000 . 2 . . . A 40 GLN HG3 . 17598 1 473 . 1 1 41 41 GLN CA C 13 56.695 0.000 . 1 . . . A 40 GLN CA . 17598 1 474 . 1 1 41 41 GLN CB C 13 28.988 0.000 . 1 . . . A 40 GLN CB . 17598 1 475 . 1 1 41 41 GLN CG C 13 34.910 0.000 . 1 . . . A 40 GLN CG . 17598 1 476 . 1 1 41 41 GLN N N 15 114.937 0.000 . 1 . . . A 40 GLN N . 17598 1 477 . 1 1 42 42 GLY H H 1 7.892 0.000 . 1 . . . A 41 GLY H . 17598 1 478 . 1 1 42 42 GLY HA2 H 1 4.195 0.000 . 2 . . . A 41 GLY HA2 . 17598 1 479 . 1 1 42 42 GLY HA3 H 1 3.809 0.000 . 2 . . . A 41 GLY HA3 . 17598 1 480 . 1 1 42 42 GLY CA C 13 44.571 0.000 . 1 . . . A 41 GLY CA . 17598 1 481 . 1 1 42 42 GLY N N 15 108.502 0.000 . 1 . . . A 41 GLY N . 17598 1 482 . 1 1 43 43 THR H H 1 7.762 0.000 . 1 . . . A 42 THR H . 17598 1 483 . 1 1 43 43 THR HA H 1 3.749 0.000 . 1 . . . A 42 THR HA . 17598 1 484 . 1 1 43 43 THR HB H 1 4.872 0.000 . 1 . . . A 42 THR HB . 17598 1 485 . 1 1 43 43 THR HG21 H 1 1.021 0.000 . . . . . A 42 THR HG21 . 17598 1 486 . 1 1 43 43 THR HG22 H 1 1.021 0.000 . . . . . A 42 THR HG22 . 17598 1 487 . 1 1 43 43 THR HG23 H 1 1.021 0.000 . . . . . A 42 THR HG23 . 17598 1 488 . 1 1 43 43 THR CA C 13 69.834 0.000 . 1 . . . A 42 THR CA . 17598 1 489 . 1 1 43 43 THR CB C 13 70.316 0.000 . 1 . . . A 42 THR CB . 17598 1 490 . 1 1 43 43 THR CG2 C 13 21.216 0.000 . 1 . . . A 42 THR CG2 . 17598 1 491 . 1 1 43 43 THR N N 15 116.344 0.000 . 1 . . . A 42 THR N . 17598 1 492 . 1 1 44 44 PHE H H 1 9.283 0.000 . 1 . . . A 43 PHE H . 17598 1 493 . 1 1 44 44 PHE HA H 1 5.106 0.000 . 1 . . . A 43 PHE HA . 17598 1 494 . 1 1 44 44 PHE HB2 H 1 2.909 0.000 . 2 . . . A 43 PHE HB2 . 17598 1 495 . 1 1 44 44 PHE HB3 H 1 2.681 0.000 . 2 . . . A 43 PHE HB3 . 17598 1 496 . 1 1 44 44 PHE HD1 H 1 6.936 0.000 . 3 . . . A 43 PHE HD1 . 17598 1 497 . 1 1 44 44 PHE HD2 H 1 6.936 0.000 . 3 . . . A 43 PHE HD2 . 17598 1 498 . 1 1 44 44 PHE HE1 H 1 7.232 0.000 . 3 . . . A 43 PHE HE1 . 17598 1 499 . 1 1 44 44 PHE HE2 H 1 7.232 0.000 . 3 . . . A 43 PHE HE2 . 17598 1 500 . 1 1 44 44 PHE HZ H 1 7.113 0.000 . 1 . . . A 43 PHE HZ . 17598 1 501 . 1 1 44 44 PHE CA C 13 55.547 0.000 . 1 . . . A 43 PHE CA . 17598 1 502 . 1 1 44 44 PHE CB C 13 41.905 0.000 . 1 . . . A 43 PHE CB . 17598 1 503 . 1 1 44 44 PHE CD1 C 13 131.248 0.000 . 3 . . . A 43 PHE CD1 . 17598 1 504 . 1 1 44 44 PHE CD2 C 13 131.248 0.000 . 3 . . . A 43 PHE CD2 . 17598 1 505 . 1 1 44 44 PHE CE1 C 13 129.851 0.000 . 3 . . . A 43 PHE CE1 . 17598 1 506 . 1 1 44 44 PHE CE2 C 13 129.851 0.000 . 3 . . . A 43 PHE CE2 . 17598 1 507 . 1 1 44 44 PHE CZ C 13 128.451 0.000 . 1 . . . A 43 PHE CZ . 17598 1 508 . 1 1 44 44 PHE N N 15 123.688 0.000 . 1 . . . A 43 PHE N . 17598 1 509 . 1 1 45 45 ALA H H 1 9.579 0.000 . 1 . . . A 44 ALA H . 17598 1 510 . 1 1 45 45 ALA HA H 1 4.951 0.000 . 1 . . . A 44 ALA HA . 17598 1 511 . 1 1 45 45 ALA HB1 H 1 1.340 0.000 . . . . . A 44 ALA HB1 . 17598 1 512 . 1 1 45 45 ALA HB2 H 1 1.340 0.000 . . . . . A 44 ALA HB2 . 17598 1 513 . 1 1 45 45 ALA HB3 H 1 1.340 0.000 . . . . . A 44 ALA HB3 . 17598 1 514 . 1 1 45 45 ALA CA C 13 50.110 0.000 . 1 . . . A 44 ALA CA . 17598 1 515 . 1 1 45 45 ALA CB C 13 21.637 0.000 . 1 . . . A 44 ALA CB . 17598 1 516 . 1 1 45 45 ALA N N 15 122.438 0.000 . 1 . . . A 44 ALA N . 17598 1 517 . 1 1 46 46 LEU H H 1 8.472 0.000 . 1 . . . A 45 LEU H . 17598 1 518 . 1 1 46 46 LEU HA H 1 5.143 0.000 . 1 . . . A 45 LEU HA . 17598 1 519 . 1 1 46 46 LEU HB2 H 1 1.386 0.000 . 2 . . . A 45 LEU HB2 . 17598 1 520 . 1 1 46 46 LEU HB3 H 1 0.889 0.000 . 2 . . . A 45 LEU HB3 . 17598 1 521 . 1 1 46 46 LEU HG H 1 1.236 0.000 . 1 . . . A 45 LEU HG . 17598 1 522 . 1 1 46 46 LEU HD11 H 1 0.884 0.000 . . . . . A 45 LEU HD11 . 17598 1 523 . 1 1 46 46 LEU HD12 H 1 0.884 0.000 . . . . . A 45 LEU HD12 . 17598 1 524 . 1 1 46 46 LEU HD13 H 1 0.884 0.000 . . . . . A 45 LEU HD13 . 17598 1 525 . 1 1 46 46 LEU HD21 H 1 0.656 0.000 . . . . . A 45 LEU HD21 . 17598 1 526 . 1 1 46 46 LEU HD22 H 1 0.656 0.000 . . . . . A 45 LEU HD22 . 17598 1 527 . 1 1 46 46 LEU HD23 H 1 0.656 0.000 . . . . . A 45 LEU HD23 . 17598 1 528 . 1 1 46 46 LEU CA C 13 52.982 0.000 . 1 . . . A 45 LEU CA . 17598 1 529 . 1 1 46 46 LEU CB C 13 42.418 0.000 . 1 . . . A 45 LEU CB . 17598 1 530 . 1 1 46 46 LEU CG C 13 26.953 0.000 . 1 . . . A 45 LEU CG . 17598 1 531 . 1 1 46 46 LEU CD1 C 13 25.195 0.000 . 2 . . . A 45 LEU CD1 . 17598 1 532 . 1 1 46 46 LEU CD2 C 13 23.251 0.000 . 2 . . . A 45 LEU CD2 . 17598 1 533 . 1 1 46 46 LEU N N 15 121.500 0.000 . 1 . . . A 45 LEU N . 17598 1 534 . 1 1 47 47 VAL H H 1 9.175 0.000 . 1 . . . A 46 VAL H . 17598 1 535 . 1 1 47 47 VAL HA H 1 4.915 0.000 . 1 . . . A 46 VAL HA . 17598 1 536 . 1 1 47 47 VAL HB H 1 1.750 0.000 . 1 . . . A 46 VAL HB . 17598 1 537 . 1 1 47 47 VAL HG11 H 1 0.528 0.000 . . . . . A 46 VAL HG11 . 17598 1 538 . 1 1 47 47 VAL HG12 H 1 0.528 0.000 . . . . . A 46 VAL HG12 . 17598 1 539 . 1 1 47 47 VAL HG13 H 1 0.528 0.000 . . . . . A 46 VAL HG13 . 17598 1 540 . 1 1 47 47 VAL HG21 H 1 0.674 0.000 . . . . . A 46 VAL HG21 . 17598 1 541 . 1 1 47 47 VAL HG22 H 1 0.674 0.000 . . . . . A 46 VAL HG22 . 17598 1 542 . 1 1 47 47 VAL HG23 H 1 0.674 0.000 . . . . . A 46 VAL HG23 . 17598 1 543 . 1 1 47 47 VAL CA C 13 59.423 0.000 . 1 . . . A 46 VAL CA . 17598 1 544 . 1 1 47 47 VAL CB C 13 34.828 0.000 . 1 . . . A 46 VAL CB . 17598 1 545 . 1 1 47 47 VAL CG1 C 13 21.435 0.000 . 2 . . . A 46 VAL CG1 . 17598 1 546 . 1 1 47 47 VAL CG2 C 13 21.522 0.000 . 2 . . . A 46 VAL CG2 . 17598 1 547 . 1 1 47 47 VAL N N 15 122.125 0.000 . 1 . . . A 46 VAL N . 17598 1 548 . 1 1 48 48 LYS H H 1 9.675 0.000 . 1 . . . A 47 LYS H . 17598 1 549 . 1 1 48 48 LYS HA H 1 5.198 0.000 . 1 . . . A 47 LYS HA . 17598 1 550 . 1 1 48 48 LYS HB2 H 1 1.943 0.000 . 2 . . . A 47 LYS HB2 . 17598 1 551 . 1 1 48 48 LYS HB3 H 1 1.623 0.000 . 2 . . . A 47 LYS HB3 . 17598 1 552 . 1 1 48 48 LYS HG2 H 1 1.368 0.000 . 2 . . . A 47 LYS HG2 . 17598 1 553 . 1 1 48 48 LYS HG3 H 1 1.367 0.000 . 2 . . . A 47 LYS HG3 . 17598 1 554 . 1 1 48 48 LYS HD2 H 1 1.624 0.000 . 2 . . . A 47 LYS HD2 . 17598 1 555 . 1 1 48 48 LYS HD3 H 1 1.625 0.000 . 2 . . . A 47 LYS HD3 . 17598 1 556 . 1 1 48 48 LYS HE2 H 1 2.882 0.000 . 2 . . . A 47 LYS HE2 . 17598 1 557 . 1 1 48 48 LYS HE3 H 1 2.881 0.000 . 2 . . . A 47 LYS HE3 . 17598 1 558 . 1 1 48 48 LYS CA C 13 54.726 0.000 . 1 . . . A 47 LYS CA . 17598 1 559 . 1 1 48 48 LYS CB C 13 35.033 0.000 . 1 . . . A 47 LYS CB . 17598 1 560 . 1 1 48 48 LYS CG C 13 24.824 0.000 . 1 . . . A 47 LYS CG . 17598 1 561 . 1 1 48 48 LYS CD C 13 29.451 0.000 . 1 . . . A 47 LYS CD . 17598 1 562 . 1 1 48 48 LYS CE C 13 41.758 0.000 . 1 . . . A 47 LYS CE . 17598 1 563 . 1 1 48 48 LYS N N 15 129.000 0.000 . 1 . . . A 47 LYS N . 17598 1 564 . 1 1 49 49 GLY H H 1 8.792 0.000 . 1 . . . A 48 GLY H . 17598 1 565 . 1 1 49 49 GLY HA2 H 1 3.865 0.000 . 2 . . . A 48 GLY HA2 . 17598 1 566 . 1 1 49 49 GLY HA3 H 1 4.111 0.000 . 2 . . . A 48 GLY HA3 . 17598 1 567 . 1 1 49 49 GLY CA C 13 44.876 0.000 . 1 . . . A 48 GLY CA . 17598 1 568 . 1 1 49 49 GLY N N 15 113.844 0.000 . 1 . . . A 48 GLY N . 17598 1 569 . 1 1 50 50 ALA H H 1 8.963 0.000 . 1 . . . A 49 ALA H . 17598 1 570 . 1 1 50 50 ALA HA H 1 3.452 0.000 . 1 . . . A 49 ALA HA . 17598 1 571 . 1 1 50 50 ALA HB1 H 1 0.402 0.000 . . . . . A 49 ALA HB1 . 17598 1 572 . 1 1 50 50 ALA HB2 H 1 0.402 0.000 . . . . . A 49 ALA HB2 . 17598 1 573 . 1 1 50 50 ALA HB3 H 1 0.402 0.000 . . . . . A 49 ALA HB3 . 17598 1 574 . 1 1 50 50 ALA CA C 13 52.982 0.000 . 1 . . . A 49 ALA CA . 17598 1 575 . 1 1 50 50 ALA CB C 13 16.950 0.000 . 1 . . . A 49 ALA CB . 17598 1 576 . 1 1 50 50 ALA N N 15 123.844 0.000 . 1 . . . A 49 ALA N . 17598 1 577 . 1 1 51 51 GLY H H 1 8.582 0.000 . 1 . . . A 50 GLY H . 17598 1 578 . 1 1 51 51 GLY HA2 H 1 3.736 0.000 . 2 . . . A 50 GLY HA2 . 17598 1 579 . 1 1 51 51 GLY HA3 H 1 4.147 0.000 . 2 . . . A 50 GLY HA3 . 17598 1 580 . 1 1 51 51 GLY CA C 13 45.544 0.000 . 1 . . . A 50 GLY CA . 17598 1 581 . 1 1 51 51 GLY N N 15 105.406 0.000 . 1 . . . A 50 GLY N . 17598 1 582 . 1 1 52 52 GLY H H 1 7.692 0.000 . 1 . . . A 51 GLY H . 17598 1 583 . 1 1 52 52 GLY HA2 H 1 3.802 0.000 . 2 . . . A 51 GLY HA2 . 17598 1 584 . 1 1 52 52 GLY HA3 H 1 4.121 0.000 . 2 . . . A 51 GLY HA3 . 17598 1 585 . 1 1 52 52 GLY CA C 13 45.149 0.000 . 1 . . . A 51 GLY CA . 17598 1 586 . 1 1 52 52 GLY N N 15 108.644 0.000 . 1 . . . A 51 GLY N . 17598 1 587 . 1 1 53 53 VAL H H 1 7.928 0.000 . 1 . . . A 52 VAL H . 17598 1 588 . 1 1 53 53 VAL HA H 1 4.587 0.000 . 1 . . . A 52 VAL HA . 17598 1 589 . 1 1 53 53 VAL HB H 1 1.754 0.000 . 1 . . . A 52 VAL HB . 17598 1 590 . 1 1 53 53 VAL HG11 H 1 0.656 0.000 . . . . . A 52 VAL HG11 . 17598 1 591 . 1 1 53 53 VAL HG12 H 1 0.656 0.000 . . . . . A 52 VAL HG12 . 17598 1 592 . 1 1 53 53 VAL HG13 H 1 0.656 0.000 . . . . . A 52 VAL HG13 . 17598 1 593 . 1 1 53 53 VAL HG21 H 1 0.802 0.000 . . . . . A 52 VAL HG21 . 17598 1 594 . 1 1 53 53 VAL HG22 H 1 0.802 0.000 . . . . . A 52 VAL HG22 . 17598 1 595 . 1 1 53 53 VAL HG23 H 1 0.802 0.000 . . . . . A 52 VAL HG23 . 17598 1 596 . 1 1 53 53 VAL CA C 13 61.745 0.000 . 1 . . . A 52 VAL CA . 17598 1 597 . 1 1 53 53 VAL CB C 13 32.967 0.000 . 1 . . . A 52 VAL CB . 17598 1 598 . 1 1 53 53 VAL CG1 C 13 21.114 0.000 . 2 . . . A 52 VAL CG1 . 17598 1 599 . 1 1 53 53 VAL CG2 C 13 20.924 0.000 . 2 . . . A 52 VAL CG2 . 17598 1 600 . 1 1 53 53 VAL N N 15 121.656 0.000 . 1 . . . A 52 VAL N . 17598 1 601 . 1 1 54 54 HIS H H 1 9.188 0.000 . 1 . . . A 53 HIS H . 17598 1 602 . 1 1 54 54 HIS HA H 1 4.623 0.000 . 1 . . . A 53 HIS HA . 17598 1 603 . 1 1 54 54 HIS HB2 H 1 3.027 0.000 . 2 . . . A 53 HIS HB2 . 17598 1 604 . 1 1 54 54 HIS HB3 H 1 2.598 0.000 . 2 . . . A 53 HIS HB3 . 17598 1 605 . 1 1 54 54 HIS HD2 H 1 6.916 0.000 . 1 . . . A 53 HIS HD2 . 17598 1 606 . 1 1 54 54 HIS HE1 H 1 0.418 0.000 . 1 . . . A 53 HIS HE1 . 17598 1 607 . 1 1 54 54 HIS CA C 13 54.866 0.000 . 1 . . . A 53 HIS CA . 17598 1 608 . 1 1 54 54 HIS CB C 13 34.303 0.000 . 1 . . . A 53 HIS CB . 17598 1 609 . 1 1 54 54 HIS CD2 C 13 119.111 0.000 . 1 . . . A 53 HIS CD2 . 17598 1 610 . 1 1 54 54 HIS CE1 C 13 120.355 0.000 . 1 . . . A 53 HIS CE1 . 17598 1 611 . 1 1 54 54 HIS N N 15 128.219 0.000 . 1 . . . A 53 HIS N . 17598 1 612 . 1 1 55 55 ARG H H 1 8.816 0.000 . 1 . . . A 54 ARG H . 17598 1 613 . 1 1 55 55 ARG HA H 1 5.027 0.000 . 1 . . . A 54 ARG HA . 17598 1 614 . 1 1 55 55 ARG HB2 H 1 1.618 0.000 . 2 . . . A 54 ARG HB2 . 17598 1 615 . 1 1 55 55 ARG HB3 H 1 1.321 0.000 . 2 . . . A 54 ARG HB3 . 17598 1 616 . 1 1 55 55 ARG HG2 H 1 1.169 0.000 . 2 . . . A 54 ARG HG2 . 17598 1 617 . 1 1 55 55 ARG HG3 H 1 1.490 0.000 . 2 . . . A 54 ARG HG3 . 17598 1 618 . 1 1 55 55 ARG HD2 H 1 2.461 0.000 . 2 . . . A 54 ARG HD2 . 17598 1 619 . 1 1 55 55 ARG HD3 H 1 2.298 0.000 . 2 . . . A 54 ARG HD3 . 17598 1 620 . 1 1 55 55 ARG CA C 13 55.284 0.000 . 1 . . . A 54 ARG CA . 17598 1 621 . 1 1 55 55 ARG CB C 13 30.757 0.000 . 1 . . . A 54 ARG CB . 17598 1 622 . 1 1 55 55 ARG CG C 13 26.936 0.000 . 1 . . . A 54 ARG CG . 17598 1 623 . 1 1 55 55 ARG CD C 13 43.146 0.000 . 1 . . . A 54 ARG CD . 17598 1 624 . 1 1 55 55 ARG N N 15 122.125 0.000 . 1 . . . A 54 ARG N . 17598 1 625 . 1 1 56 56 VAL H H 1 9.444 0.000 . 1 . . . A 55 VAL H . 17598 1 626 . 1 1 56 56 VAL HA H 1 4.708 0.000 . 1 . . . A 55 VAL HA . 17598 1 627 . 1 1 56 56 VAL HB H 1 1.963 0.000 . 1 . . . A 55 VAL HB . 17598 1 628 . 1 1 56 56 VAL HG11 H 1 0.795 0.000 . . . . . A 55 VAL HG11 . 17598 1 629 . 1 1 56 56 VAL HG12 H 1 0.795 0.000 . . . . . A 55 VAL HG12 . 17598 1 630 . 1 1 56 56 VAL HG13 H 1 0.795 0.000 . . . . . A 55 VAL HG13 . 17598 1 631 . 1 1 56 56 VAL HG21 H 1 0.917 0.000 . . . . . A 55 VAL HG21 . 17598 1 632 . 1 1 56 56 VAL HG22 H 1 0.917 0.000 . . . . . A 55 VAL HG22 . 17598 1 633 . 1 1 56 56 VAL HG23 H 1 0.917 0.000 . . . . . A 55 VAL HG23 . 17598 1 634 . 1 1 56 56 VAL CA C 13 60.682 0.000 . 1 . . . A 55 VAL CA . 17598 1 635 . 1 1 56 56 VAL CB C 13 35.467 0.000 . 1 . . . A 55 VAL CB . 17598 1 636 . 1 1 56 56 VAL CG1 C 13 20.834 0.000 . 2 . . . A 55 VAL CG1 . 17598 1 637 . 1 1 56 56 VAL CG2 C 13 22.086 0.000 . 2 . . . A 55 VAL CG2 . 17598 1 638 . 1 1 56 56 VAL N N 15 124.229 0.000 . 1 . . . A 55 VAL N . 17598 1 639 . 1 1 57 57 ARG H H 1 9.124 0.000 . 1 . . . A 56 ARG H . 17598 1 640 . 1 1 57 57 ARG HA H 1 4.823 0.000 . 1 . . . A 56 ARG HA . 17598 1 641 . 1 1 57 57 ARG HB2 H 1 1.702 0.000 . 2 . . . A 56 ARG HB2 . 17598 1 642 . 1 1 57 57 ARG HB3 H 1 1.703 0.000 . 2 . . . A 56 ARG HB3 . 17598 1 643 . 1 1 57 57 ARG HG2 H 1 1.686 0.000 . 2 . . . A 56 ARG HG2 . 17598 1 644 . 1 1 57 57 ARG HG3 H 1 1.506 0.000 . 2 . . . A 56 ARG HG3 . 17598 1 645 . 1 1 57 57 ARG HD2 H 1 3.114 0.000 . 2 . . . A 56 ARG HD2 . 17598 1 646 . 1 1 57 57 ARG HD3 H 1 3.077 0.000 . 2 . . . A 56 ARG HD3 . 17598 1 647 . 1 1 57 57 ARG CA C 13 53.324 0.000 . 1 . . . A 56 ARG CA . 17598 1 648 . 1 1 57 57 ARG CB C 13 33.985 0.000 . 1 . . . A 56 ARG CB . 17598 1 649 . 1 1 57 57 ARG CG C 13 26.212 0.000 . 1 . . . A 56 ARG CG . 17598 1 650 . 1 1 57 57 ARG CD C 13 43.325 0.000 . 1 . . . A 56 ARG CD . 17598 1 651 . 1 1 57 57 ARG N N 15 124.554 0.000 . 1 . . . A 56 ARG N . 17598 1 652 . 1 1 58 58 VAL H H 1 8.327 0.000 . 1 . . . A 57 VAL H . 17598 1 653 . 1 1 58 58 VAL HA H 1 3.355 0.000 . 1 . . . A 57 VAL HA . 17598 1 654 . 1 1 58 58 VAL HB H 1 1.832 0.000 . 1 . . . A 57 VAL HB . 17598 1 655 . 1 1 58 58 VAL HG11 H 1 0.866 0.000 . . . . . A 57 VAL HG11 . 17598 1 656 . 1 1 58 58 VAL HG12 H 1 0.866 0.000 . . . . . A 57 VAL HG12 . 17598 1 657 . 1 1 58 58 VAL HG13 H 1 0.866 0.000 . . . . . A 57 VAL HG13 . 17598 1 658 . 1 1 58 58 VAL HG21 H 1 0.867 0.000 . . . . . A 57 VAL HG21 . 17598 1 659 . 1 1 58 58 VAL HG22 H 1 0.867 0.000 . . . . . A 57 VAL HG22 . 17598 1 660 . 1 1 58 58 VAL HG23 H 1 0.867 0.000 . . . . . A 57 VAL HG23 . 17598 1 661 . 1 1 58 58 VAL CA C 13 65.446 0.000 . 1 . . . A 57 VAL CA . 17598 1 662 . 1 1 58 58 VAL CB C 13 30.932 0.000 . 1 . . . A 57 VAL CB . 17598 1 663 . 1 1 58 58 VAL CG1 C 13 21.123 0.000 . 2 . . . A 57 VAL CG1 . 17598 1 664 . 1 1 58 58 VAL CG2 C 13 22.604 0.000 . 2 . . . A 57 VAL CG2 . 17598 1 665 . 1 1 58 58 VAL N N 15 120.250 0.000 . 1 . . . A 57 VAL N . 17598 1 666 . 1 1 59 59 GLY H H 1 9.097 0.000 . 1 . . . A 58 GLY H . 17598 1 667 . 1 1 59 59 GLY HA2 H 1 3.266 0.000 . 2 . . . A 58 GLY HA2 . 17598 1 668 . 1 1 59 59 GLY HA3 H 1 4.473 0.000 . 2 . . . A 58 GLY HA3 . 17598 1 669 . 1 1 59 59 GLY CA C 13 44.575 0.000 . 1 . . . A 58 GLY CA . 17598 1 670 . 1 1 59 59 GLY N N 15 117.437 0.000 . 1 . . . A 58 GLY N . 17598 1 671 . 1 1 60 60 ASP H H 1 7.800 0.000 . 1 . . . A 59 ASP H . 17598 1 672 . 1 1 60 60 ASP HA H 1 4.951 0.000 . 1 . . . A 59 ASP HA . 17598 1 673 . 1 1 60 60 ASP HB2 H 1 3.025 0.000 . 2 . . . A 59 ASP HB2 . 17598 1 674 . 1 1 60 60 ASP HB3 H 1 3.097 0.000 . 2 . . . A 59 ASP HB3 . 17598 1 675 . 1 1 60 60 ASP CA C 13 54.342 0.000 . 1 . . . A 59 ASP CA . 17598 1 676 . 1 1 60 60 ASP CB C 13 41.758 0.000 . 1 . . . A 59 ASP CB . 17598 1 677 . 1 1 60 60 ASP N N 15 121.031 0.000 . 1 . . . A 59 ASP N . 17598 1 678 . 1 1 61 61 TYR H H 1 7.834 0.000 . 1 . . . A 60 TYR H . 17598 1 679 . 1 1 61 61 TYR HA H 1 5.590 0.000 . 1 . . . A 60 TYR HA . 17598 1 680 . 1 1 61 61 TYR HB2 H 1 2.609 0.000 . 2 . . . A 60 TYR HB2 . 17598 1 681 . 1 1 61 61 TYR HB3 H 1 2.705 0.000 . 2 . . . A 60 TYR HB3 . 17598 1 682 . 1 1 61 61 TYR HD1 H 1 6.748 0.000 . 3 . . . A 60 TYR HD1 . 17598 1 683 . 1 1 61 61 TYR HD2 H 1 6.748 0.000 . 3 . . . A 60 TYR HD2 . 17598 1 684 . 1 1 61 61 TYR HE1 H 1 6.651 0.000 . 3 . . . A 60 TYR HE1 . 17598 1 685 . 1 1 61 61 TYR HE2 H 1 6.651 0.000 . 3 . . . A 60 TYR HE2 . 17598 1 686 . 1 1 61 61 TYR CA C 13 56.792 0.000 . 1 . . . A 60 TYR CA . 17598 1 687 . 1 1 61 61 TYR CB C 13 42.570 0.000 . 1 . . . A 60 TYR CB . 17598 1 688 . 1 1 61 61 TYR CD1 C 13 131.855 0.000 . 3 . . . A 60 TYR CD1 . 17598 1 689 . 1 1 61 61 TYR CD2 C 13 131.855 0.000 . 3 . . . A 60 TYR CD2 . 17598 1 690 . 1 1 61 61 TYR CE1 C 13 116.146 0.000 . 3 . . . A 60 TYR CE1 . 17598 1 691 . 1 1 61 61 TYR CE2 C 13 116.146 0.000 . 3 . . . A 60 TYR CE2 . 17598 1 692 . 1 1 61 61 TYR N N 15 115.406 0.000 . 1 . . . A 60 TYR N . 17598 1 693 . 1 1 62 62 LEU H H 1 9.362 0.000 . 1 . . . A 61 LEU H . 17598 1 694 . 1 1 62 62 LEU HA H 1 4.301 0.000 . 1 . . . A 61 LEU HA . 17598 1 695 . 1 1 62 62 LEU HB2 H 1 1.461 0.000 . 2 . . . A 61 LEU HB2 . 17598 1 696 . 1 1 62 62 LEU HB3 H 1 1.320 0.000 . 2 . . . A 61 LEU HB3 . 17598 1 697 . 1 1 62 62 LEU HG H 1 0.500 0.000 . 1 . . . A 61 LEU HG . 17598 1 698 . 1 1 62 62 LEU HD11 H 1 0.596 0.000 . . . . . A 61 LEU HD11 . 17598 1 699 . 1 1 62 62 LEU HD12 H 1 0.596 0.000 . . . . . A 61 LEU HD12 . 17598 1 700 . 1 1 62 62 LEU HD13 H 1 0.596 0.000 . . . . . A 61 LEU HD13 . 17598 1 701 . 1 1 62 62 LEU HD21 H 1 0.597 0.000 . . . . . A 61 LEU HD21 . 17598 1 702 . 1 1 62 62 LEU HD22 H 1 0.597 0.000 . . . . . A 61 LEU HD22 . 17598 1 703 . 1 1 62 62 LEU HD23 H 1 0.597 0.000 . . . . . A 61 LEU HD23 . 17598 1 704 . 1 1 62 62 LEU CA C 13 53.997 0.000 . 1 . . . A 61 LEU CA . 17598 1 705 . 1 1 62 62 LEU CB C 13 46.770 0.000 . 1 . . . A 61 LEU CB . 17598 1 706 . 1 1 62 62 LEU CG C 13 25.837 0.000 . 1 . . . A 61 LEU CG . 17598 1 707 . 1 1 62 62 LEU CD1 C 13 24.875 0.000 . 2 . . . A 61 LEU CD1 . 17598 1 708 . 1 1 62 62 LEU CD2 C 13 24.876 0.000 . 2 . . . A 61 LEU CD2 . 17598 1 709 . 1 1 62 62 LEU N N 15 117.750 0.000 . 1 . . . A 61 LEU N . 17598 1 710 . 1 1 63 63 GLY H H 1 7.945 0.000 . 1 . . . A 62 GLY H . 17598 1 711 . 1 1 63 63 GLY HA2 H 1 5.068 0.000 . 2 . . . A 62 GLY HA2 . 17598 1 712 . 1 1 63 63 GLY HA3 H 1 4.259 0.000 . 2 . . . A 62 GLY HA3 . 17598 1 713 . 1 1 63 63 GLY CA C 13 44.288 0.000 . 1 . . . A 62 GLY CA . 17598 1 714 . 1 1 63 63 GLY N N 15 107.303 0.000 . 1 . . . A 62 GLY N . 17598 1 715 . 1 1 64 64 ARG H H 1 8.424 0.000 . 1 . . . A 63 ARG H . 17598 1 716 . 1 1 64 64 ARG HA H 1 4.441 0.000 . 1 . . . A 63 ARG HA . 17598 1 717 . 1 1 64 64 ARG HB2 H 1 2.131 0.000 . 2 . . . A 63 ARG HB2 . 17598 1 718 . 1 1 64 64 ARG HB3 H 1 2.130 0.000 . 2 . . . A 63 ARG HB3 . 17598 1 719 . 1 1 64 64 ARG HG2 H 1 1.530 0.000 . 2 . . . A 63 ARG HG2 . 17598 1 720 . 1 1 64 64 ARG HG3 H 1 1.529 0.000 . 2 . . . A 63 ARG HG3 . 17598 1 721 . 1 1 64 64 ARG HD2 H 1 3.016 0.000 . 2 . . . A 63 ARG HD2 . 17598 1 722 . 1 1 64 64 ARG HD3 H 1 3.015 0.000 . 2 . . . A 63 ARG HD3 . 17598 1 723 . 1 1 64 64 ARG CA C 13 57.269 0.000 . 1 . . . A 63 ARG CA . 17598 1 724 . 1 1 64 64 ARG CB C 13 30.746 0.000 . 1 . . . A 63 ARG CB . 17598 1 725 . 1 1 64 64 ARG CG C 13 27.323 0.000 . 1 . . . A 63 ARG CG . 17598 1 726 . 1 1 64 64 ARG CD C 13 42.868 0.000 . 1 . . . A 63 ARG CD . 17598 1 727 . 1 1 64 64 ARG N N 15 113.687 0.000 . 1 . . . A 63 ARG N . 17598 1 728 . 1 1 65 65 ASN H H 1 9.529 0.000 . 1 . . . A 64 ASN H . 17598 1 729 . 1 1 65 65 ASN HA H 1 5.499 0.000 . 1 . . . A 64 ASN HA . 17598 1 730 . 1 1 65 65 ASN HB2 H 1 3.337 0.000 . 2 . . . A 64 ASN HB2 . 17598 1 731 . 1 1 65 65 ASN HB3 H 1 2.106 0.000 . 2 . . . A 64 ASN HB3 . 17598 1 732 . 1 1 65 65 ASN HD21 H 1 7.130 0.000 . 2 . . . A 64 ASN HD21 . 17598 1 733 . 1 1 65 65 ASN HD22 H 1 7.998 0.000 . 2 . . . A 64 ASN HD22 . 17598 1 734 . 1 1 65 65 ASN CA C 13 53.356 0.000 . 1 . . . A 64 ASN CA . 17598 1 735 . 1 1 65 65 ASN CB C 13 39.516 0.000 . 1 . . . A 64 ASN CB . 17598 1 736 . 1 1 65 65 ASN N N 15 121.626 0.000 . 1 . . . A 64 ASN N . 17598 1 737 . 1 1 65 65 ASN ND2 N 15 112.713 0.000 . 1 . . . A 64 ASN ND2 . 17598 1 738 . 1 1 66 66 ASP H H 1 9.397 0.000 . 1 . . . A 65 ASP H . 17598 1 739 . 1 1 66 66 ASP HA H 1 3.899 0.000 . 1 . . . A 65 ASP HA . 17598 1 740 . 1 1 66 66 ASP HB2 H 1 2.815 0.000 . 2 . . . A 65 ASP HB2 . 17598 1 741 . 1 1 66 66 ASP HB3 H 1 2.775 0.000 . 2 . . . A 65 ASP HB3 . 17598 1 742 . 1 1 66 66 ASP CA C 13 54.788 0.000 . 1 . . . A 65 ASP CA . 17598 1 743 . 1 1 66 66 ASP CB C 13 39.420 0.000 . 1 . . . A 65 ASP CB . 17598 1 744 . 1 1 66 66 ASP N N 15 116.656 0.000 . 1 . . . A 65 ASP N . 17598 1 745 . 1 1 67 67 GLY H H 1 7.424 0.000 . 1 . . . A 66 GLY H . 17598 1 746 . 1 1 67 67 GLY HA2 H 1 3.431 0.000 . 2 . . . A 66 GLY HA2 . 17598 1 747 . 1 1 67 67 GLY HA3 H 1 4.005 0.000 . 2 . . . A 66 GLY HA3 . 17598 1 748 . 1 1 67 67 GLY CA C 13 48.011 0.000 . 1 . . . A 66 GLY CA . 17598 1 749 . 1 1 67 67 GLY N N 15 100.587 0.000 . 1 . . . A 66 GLY N . 17598 1 750 . 1 1 68 68 LYS H H 1 8.121 0.000 . 1 . . . A 67 LYS H . 17598 1 751 . 1 1 68 68 LYS HA H 1 3.848 0.000 . 1 . . . A 67 LYS HA . 17598 1 752 . 1 1 68 68 LYS HB2 H 1 1.467 0.000 . 2 . . . A 67 LYS HB2 . 17598 1 753 . 1 1 68 68 LYS HB3 H 1 1.560 0.000 . 2 . . . A 67 LYS HB3 . 17598 1 754 . 1 1 68 68 LYS HG2 H 1 0.503 0.000 . 2 . . . A 67 LYS HG2 . 17598 1 755 . 1 1 68 68 LYS HG3 H 1 0.856 0.000 . 2 . . . A 67 LYS HG3 . 17598 1 756 . 1 1 68 68 LYS HD2 H 1 1.500 0.000 . 2 . . . A 67 LYS HD2 . 17598 1 757 . 1 1 68 68 LYS HD3 H 1 1.501 0.000 . 2 . . . A 67 LYS HD3 . 17598 1 758 . 1 1 68 68 LYS HE2 H 1 2.847 0.000 . 2 . . . A 67 LYS HE2 . 17598 1 759 . 1 1 68 68 LYS HE3 H 1 2.846 0.000 . 2 . . . A 67 LYS HE3 . 17598 1 760 . 1 1 68 68 LYS CA C 13 54.979 0.000 . 1 . . . A 67 LYS CA . 17598 1 761 . 1 1 68 68 LYS CB C 13 34.457 0.000 . 1 . . . A 67 LYS CB . 17598 1 762 . 1 1 68 68 LYS CG C 13 24.245 0.000 . 1 . . . A 67 LYS CG . 17598 1 763 . 1 1 68 68 LYS CD C 13 29.544 0.000 . 1 . . . A 67 LYS CD . 17598 1 764 . 1 1 68 68 LYS CE C 13 41.758 0.000 . 1 . . . A 67 LYS CE . 17598 1 765 . 1 1 68 68 LYS N N 15 130.952 0.000 . 1 . . . A 67 LYS N . 17598 1 766 . 1 1 69 69 VAL H H 1 9.113 0.000 . 1 . . . A 68 VAL H . 17598 1 767 . 1 1 69 69 VAL HA H 1 4.112 0.000 . 1 . . . A 68 VAL HA . 17598 1 768 . 1 1 69 69 VAL HB H 1 2.179 0.000 . 1 . . . A 68 VAL HB . 17598 1 769 . 1 1 69 69 VAL HG11 H 1 0.684 0.000 . . . . . A 68 VAL HG11 . 17598 1 770 . 1 1 69 69 VAL HG12 H 1 0.684 0.000 . . . . . A 68 VAL HG12 . 17598 1 771 . 1 1 69 69 VAL HG13 H 1 0.684 0.000 . . . . . A 68 VAL HG13 . 17598 1 772 . 1 1 69 69 VAL HG21 H 1 0.755 0.000 . . . . . A 68 VAL HG21 . 17598 1 773 . 1 1 69 69 VAL HG22 H 1 0.755 0.000 . . . . . A 68 VAL HG22 . 17598 1 774 . 1 1 69 69 VAL HG23 H 1 0.755 0.000 . . . . . A 68 VAL HG23 . 17598 1 775 . 1 1 69 69 VAL CA C 13 63.283 0.000 . 1 . . . A 68 VAL CA . 17598 1 776 . 1 1 69 69 VAL CB C 13 30.734 0.000 . 1 . . . A 68 VAL CB . 17598 1 777 . 1 1 69 69 VAL CG1 C 13 21.544 0.000 . 2 . . . A 68 VAL CG1 . 17598 1 778 . 1 1 69 69 VAL CG2 C 13 22.111 0.000 . 2 . . . A 68 VAL CG2 . 17598 1 779 . 1 1 69 69 VAL N N 15 126.813 0.000 . 1 . . . A 68 VAL N . 17598 1 780 . 1 1 70 70 VAL H H 1 8.968 0.000 . 1 . . . A 69 VAL H . 17598 1 781 . 1 1 70 70 VAL HA H 1 4.605 0.000 . 1 . . . A 69 VAL HA . 17598 1 782 . 1 1 70 70 VAL HB H 1 2.334 0.000 . 1 . . . A 69 VAL HB . 17598 1 783 . 1 1 70 70 VAL HG11 H 1 0.683 0.000 . . . . . A 69 VAL HG11 . 17598 1 784 . 1 1 70 70 VAL HG12 H 1 0.683 0.000 . . . . . A 69 VAL HG12 . 17598 1 785 . 1 1 70 70 VAL HG13 H 1 0.683 0.000 . . . . . A 69 VAL HG13 . 17598 1 786 . 1 1 70 70 VAL HG21 H 1 0.873 0.000 . . . . . A 69 VAL HG21 . 17598 1 787 . 1 1 70 70 VAL HG22 H 1 0.873 0.000 . . . . . A 69 VAL HG22 . 17598 1 788 . 1 1 70 70 VAL HG23 H 1 0.873 0.000 . . . . . A 69 VAL HG23 . 17598 1 789 . 1 1 70 70 VAL CA C 13 60.897 0.000 . 1 . . . A 69 VAL CA . 17598 1 790 . 1 1 70 70 VAL CB C 13 32.643 0.000 . 1 . . . A 69 VAL CB . 17598 1 791 . 1 1 70 70 VAL CG1 C 13 18.162 0.000 . 2 . . . A 69 VAL CG1 . 17598 1 792 . 1 1 70 70 VAL CG2 C 13 20.846 0.000 . 2 . . . A 69 VAL CG2 . 17598 1 793 . 1 1 70 70 VAL N N 15 122.594 0.000 . 1 . . . A 69 VAL N . 17598 1 794 . 1 1 71 71 GLY H H 1 7.638 0.000 . 1 . . . A 70 GLY H . 17598 1 795 . 1 1 71 71 GLY HA2 H 1 4.284 0.000 . 2 . . . A 70 GLY HA2 . 17598 1 796 . 1 1 71 71 GLY HA3 H 1 3.993 0.000 . 2 . . . A 70 GLY HA3 . 17598 1 797 . 1 1 71 71 GLY CA C 13 46.199 0.000 . 1 . . . A 70 GLY CA . 17598 1 798 . 1 1 71 71 GLY N N 15 110.562 0.000 . 1 . . . A 70 GLY N . 17598 1 799 . 1 1 72 72 ILE H H 1 8.404 0.000 . 1 . . . A 71 ILE H . 17598 1 800 . 1 1 72 72 ILE HA H 1 4.459 0.000 . 1 . . . A 71 ILE HA . 17598 1 801 . 1 1 72 72 ILE HB H 1 1.395 0.000 . 1 . . . A 71 ILE HB . 17598 1 802 . 1 1 72 72 ILE HG12 H 1 0.869 0.000 . 2 . . . A 71 ILE HG12 . 17598 1 803 . 1 1 72 72 ILE HG13 H 1 0.868 0.000 . 2 . . . A 71 ILE HG13 . 17598 1 804 . 1 1 72 72 ILE HG21 H 1 0.692 0.000 . . . . . A 71 ILE HG21 . 17598 1 805 . 1 1 72 72 ILE HG22 H 1 0.692 0.000 . . . . . A 71 ILE HG22 . 17598 1 806 . 1 1 72 72 ILE HG23 H 1 0.692 0.000 . . . . . A 71 ILE HG23 . 17598 1 807 . 1 1 72 72 ILE HD11 H 1 0.885 0.000 . . . . . A 71 ILE HD11 . 17598 1 808 . 1 1 72 72 ILE HD12 H 1 0.885 0.000 . . . . . A 71 ILE HD12 . 17598 1 809 . 1 1 72 72 ILE HD13 H 1 0.885 0.000 . . . . . A 71 ILE HD13 . 17598 1 810 . 1 1 72 72 ILE CA C 13 61.374 0.000 . 1 . . . A 71 ILE CA . 17598 1 811 . 1 1 72 72 ILE CB C 13 42.381 0.000 . 1 . . . A 71 ILE CB . 17598 1 812 . 1 1 72 72 ILE CG1 C 13 28.109 0.000 . 1 . . . A 71 ILE CG1 . 17598 1 813 . 1 1 72 72 ILE CG2 C 13 17.904 0.000 . 1 . . . A 71 ILE CG2 . 17598 1 814 . 1 1 72 72 ILE CD1 C 13 15.132 0.000 . 1 . . . A 71 ILE CD1 . 17598 1 815 . 1 1 72 72 ILE N N 15 123.063 0.000 . 1 . . . A 71 ILE N . 17598 1 816 . 1 1 73 73 SER H H 1 8.801 0.000 . 1 . . . A 72 SER H . 17598 1 817 . 1 1 73 73 SER HA H 1 4.723 0.000 . 1 . . . A 72 SER HA . 17598 1 818 . 1 1 73 73 SER HB2 H 1 4.030 0.000 . 2 . . . A 72 SER HB2 . 17598 1 819 . 1 1 73 73 SER HB3 H 1 3.884 0.000 . 2 . . . A 72 SER HB3 . 17598 1 820 . 1 1 73 73 SER CA C 13 56.220 0.000 . 1 . . . A 72 SER CA . 17598 1 821 . 1 1 73 73 SER CB C 13 65.450 0.000 . 1 . . . A 72 SER CB . 17598 1 822 . 1 1 73 73 SER N N 15 123.531 0.000 . 1 . . . A 72 SER N . 17598 1 823 . 1 1 74 74 GLU H H 1 8.537 0.000 . 1 . . . A 73 GLU H . 17598 1 824 . 1 1 74 74 GLU HA H 1 4.304 0.000 . 1 . . . A 73 GLU HA . 17598 1 825 . 1 1 74 74 GLU HB2 H 1 1.978 0.000 . 2 . . . A 73 GLU HB2 . 17598 1 826 . 1 1 74 74 GLU HB3 H 1 1.979 0.000 . 2 . . . A 73 GLU HB3 . 17598 1 827 . 1 1 74 74 GLU HG2 H 1 2.260 0.000 . 2 . . . A 73 GLU HG2 . 17598 1 828 . 1 1 74 74 GLU HG3 H 1 2.261 0.000 . 2 . . . A 73 GLU HG3 . 17598 1 829 . 1 1 74 74 GLU CA C 13 55.730 0.000 . 1 . . . A 73 GLU CA . 17598 1 830 . 1 1 74 74 GLU CB C 13 29.102 0.000 . 1 . . . A 73 GLU CB . 17598 1 831 . 1 1 74 74 GLU CG C 13 36.250 0.000 . 1 . . . A 73 GLU CG . 17598 1 832 . 1 1 74 74 GLU N N 15 116.656 0.000 . 1 . . . A 73 GLU N . 17598 1 833 . 1 1 75 75 GLY H H 1 8.124 0.000 . 1 . . . A 74 GLY H . 17598 1 834 . 1 1 75 75 GLY HA2 H 1 3.669 0.000 . 2 . . . A 74 GLY HA2 . 17598 1 835 . 1 1 75 75 GLY HA3 H 1 4.301 0.000 . 2 . . . A 74 GLY HA3 . 17598 1 836 . 1 1 75 75 GLY CA C 13 45.018 0.000 . 1 . . . A 74 GLY CA . 17598 1 837 . 1 1 75 75 GLY N N 15 102.989 0.000 . 1 . . . A 74 GLY N . 17598 1 838 . 1 1 76 76 LYS H H 1 7.546 0.000 . 1 . . . A 75 LYS H . 17598 1 839 . 1 1 76 76 LYS HA H 1 5.261 0.000 . 1 . . . A 75 LYS HA . 17598 1 840 . 1 1 76 76 LYS HB2 H 1 1.857 0.000 . 2 . . . A 75 LYS HB2 . 17598 1 841 . 1 1 76 76 LYS HB3 H 1 1.477 0.000 . 2 . . . A 75 LYS HB3 . 17598 1 842 . 1 1 76 76 LYS HG2 H 1 1.106 0.000 . 2 . . . A 75 LYS HG2 . 17598 1 843 . 1 1 76 76 LYS HG3 H 1 1.107 0.000 . 2 . . . A 75 LYS HG3 . 17598 1 844 . 1 1 76 76 LYS HD2 H 1 1.486 0.000 . 2 . . . A 75 LYS HD2 . 17598 1 845 . 1 1 76 76 LYS HD3 H 1 1.485 0.000 . 2 . . . A 75 LYS HD3 . 17598 1 846 . 1 1 76 76 LYS HE2 H 1 2.884 0.000 . 2 . . . A 75 LYS HE2 . 17598 1 847 . 1 1 76 76 LYS HE3 H 1 2.883 0.000 . 2 . . . A 75 LYS HE3 . 17598 1 848 . 1 1 76 76 LYS CA C 13 56.601 0.000 . 1 . . . A 75 LYS CA . 17598 1 849 . 1 1 76 76 LYS CB C 13 35.411 0.000 . 1 . . . A 75 LYS CB . 17598 1 850 . 1 1 76 76 LYS CG C 13 23.437 0.000 . 1 . . . A 75 LYS CG . 17598 1 851 . 1 1 76 76 LYS CD C 13 29.451 0.000 . 1 . . . A 75 LYS CD . 17598 1 852 . 1 1 76 76 LYS CE C 13 41.388 0.000 . 1 . . . A 75 LYS CE . 17598 1 853 . 1 1 76 76 LYS N N 15 120.094 0.000 . 1 . . . A 75 LYS N . 17598 1 854 . 1 1 77 77 ILE H H 1 8.776 0.000 . 1 . . . A 76 ILE H . 17598 1 855 . 1 1 77 77 ILE HA H 1 4.550 0.000 . 1 . . . A 76 ILE HA . 17598 1 856 . 1 1 77 77 ILE HB H 1 1.718 0.000 . 1 . . . A 76 ILE HB . 17598 1 857 . 1 1 77 77 ILE HG12 H 1 2.069 0.000 . 2 . . . A 76 ILE HG12 . 17598 1 858 . 1 1 77 77 ILE HG13 H 1 2.070 0.000 . 2 . . . A 76 ILE HG13 . 17598 1 859 . 1 1 77 77 ILE HG21 H 1 0.850 0.000 . . . . . A 76 ILE HG21 . 17598 1 860 . 1 1 77 77 ILE HG22 H 1 0.850 0.000 . . . . . A 76 ILE HG22 . 17598 1 861 . 1 1 77 77 ILE HG23 H 1 0.850 0.000 . . . . . A 76 ILE HG23 . 17598 1 862 . 1 1 77 77 ILE HD11 H 1 0.661 0.000 . . . . . A 76 ILE HD11 . 17598 1 863 . 1 1 77 77 ILE HD12 H 1 0.661 0.000 . . . . . A 76 ILE HD12 . 17598 1 864 . 1 1 77 77 ILE HD13 H 1 0.661 0.000 . . . . . A 76 ILE HD13 . 17598 1 865 . 1 1 77 77 ILE CA C 13 59.847 0.000 . 1 . . . A 76 ILE CA . 17598 1 866 . 1 1 77 77 ILE CB C 13 41.616 0.000 . 1 . . . A 76 ILE CB . 17598 1 867 . 1 1 77 77 ILE CG1 C 13 26.860 0.000 . 1 . . . A 76 ILE CG1 . 17598 1 868 . 1 1 77 77 ILE CG2 C 13 18.810 0.000 . 1 . . . A 76 ILE CG2 . 17598 1 869 . 1 1 77 77 ILE CD1 C 13 15.386 0.000 . 1 . . . A 76 ILE CD1 . 17598 1 870 . 1 1 77 77 ILE N N 15 121.344 0.000 . 1 . . . A 76 ILE N . 17598 1 871 . 1 1 78 78 ASP H H 1 8.964 0.000 . 1 . . . A 77 ASP H . 17598 1 872 . 1 1 78 78 ASP HA H 1 5.201 0.000 . 1 . . . A 77 ASP HA . 17598 1 873 . 1 1 78 78 ASP HB2 H 1 2.696 0.000 . 2 . . . A 77 ASP HB2 . 17598 1 874 . 1 1 78 78 ASP HB3 H 1 2.226 0.000 . 2 . . . A 77 ASP HB3 . 17598 1 875 . 1 1 78 78 ASP CA C 13 54.120 0.000 . 1 . . . A 77 ASP CA . 17598 1 876 . 1 1 78 78 ASP CB C 13 42.952 0.000 . 1 . . . A 77 ASP CB . 17598 1 877 . 1 1 78 78 ASP N N 15 126.813 0.000 . 1 . . . A 77 ASP N . 17598 1 878 . 1 1 79 79 VAL H H 1 9.060 0.000 . 1 . . . A 78 VAL H . 17598 1 879 . 1 1 79 79 VAL HA H 1 5.179 0.000 . 1 . . . A 78 VAL HA . 17598 1 880 . 1 1 79 79 VAL HB H 1 1.705 0.000 . 1 . . . A 78 VAL HB . 17598 1 881 . 1 1 79 79 VAL HG11 H 1 0.637 0.000 . . . . . A 78 VAL HG11 . 17598 1 882 . 1 1 79 79 VAL HG12 H 1 0.637 0.000 . . . . . A 78 VAL HG12 . 17598 1 883 . 1 1 79 79 VAL HG13 H 1 0.637 0.000 . . . . . A 78 VAL HG13 . 17598 1 884 . 1 1 79 79 VAL HG21 H 1 0.715 0.000 . . . . . A 78 VAL HG21 . 17598 1 885 . 1 1 79 79 VAL HG22 H 1 0.715 0.000 . . . . . A 78 VAL HG22 . 17598 1 886 . 1 1 79 79 VAL HG23 H 1 0.715 0.000 . . . . . A 78 VAL HG23 . 17598 1 887 . 1 1 79 79 VAL CA C 13 59.274 0.000 . 1 . . . A 78 VAL CA . 17598 1 888 . 1 1 79 79 VAL CB C 13 36.079 0.000 . 1 . . . A 78 VAL CB . 17598 1 889 . 1 1 79 79 VAL CG1 C 13 21.154 0.000 . 2 . . . A 78 VAL CG1 . 17598 1 890 . 1 1 79 79 VAL CG2 C 13 22.202 0.000 . 2 . . . A 78 VAL CG2 . 17598 1 891 . 1 1 79 79 VAL N N 15 124.156 0.000 . 1 . . . A 78 VAL N . 17598 1 892 . 1 1 80 80 ILE H H 1 8.812 0.000 . 1 . . . A 79 ILE H . 17598 1 893 . 1 1 80 80 ILE HA H 1 4.495 0.000 . 1 . . . A 79 ILE HA . 17598 1 894 . 1 1 80 80 ILE HB H 1 1.750 0.000 . 1 . . . A 79 ILE HB . 17598 1 895 . 1 1 80 80 ILE HG12 H 1 1.548 0.000 . 2 . . . A 79 ILE HG12 . 17598 1 896 . 1 1 80 80 ILE HG13 H 1 1.014 0.000 . 2 . . . A 79 ILE HG13 . 17598 1 897 . 1 1 80 80 ILE HG21 H 1 0.851 0.000 . . . . . A 79 ILE HG21 . 17598 1 898 . 1 1 80 80 ILE HG22 H 1 0.851 0.000 . . . . . A 79 ILE HG22 . 17598 1 899 . 1 1 80 80 ILE HG23 H 1 0.851 0.000 . . . . . A 79 ILE HG23 . 17598 1 900 . 1 1 80 80 ILE HD11 H 1 0.835 0.000 . . . . . A 79 ILE HD11 . 17598 1 901 . 1 1 80 80 ILE HD12 H 1 0.835 0.000 . . . . . A 79 ILE HD12 . 17598 1 902 . 1 1 80 80 ILE HD13 H 1 0.835 0.000 . . . . . A 79 ILE HD13 . 17598 1 903 . 1 1 80 80 ILE CA C 13 61.183 0.000 . 1 . . . A 79 ILE CA . 17598 1 904 . 1 1 80 80 ILE CB C 13 39.287 0.000 . 1 . . . A 79 ILE CB . 17598 1 905 . 1 1 80 80 ILE CG1 C 13 27.323 0.000 . 1 . . . A 79 ILE CG1 . 17598 1 906 . 1 1 80 80 ILE CG2 C 13 12.900 0.000 . 1 . . . A 79 ILE CG2 . 17598 1 907 . 1 1 80 80 ILE CD1 C 13 17.792 0.000 . 1 . . . A 79 ILE CD1 . 17598 1 908 . 1 1 80 80 ILE N N 15 126.656 0.000 . 1 . . . A 79 ILE N . 17598 1 909 . 1 1 81 81 GLU H H 1 8.283 0.000 . 1 . . . A 80 GLU H . 17598 1 910 . 1 1 81 81 GLU HA H 1 4.622 0.000 . 1 . . . A 80 GLU HA . 17598 1 911 . 1 1 81 81 GLU HB2 H 1 2.018 0.000 . 2 . . . A 80 GLU HB2 . 17598 1 912 . 1 1 81 81 GLU HB3 H 1 2.019 0.000 . 2 . . . A 80 GLU HB3 . 17598 1 913 . 1 1 81 81 GLU HG2 H 1 2.162 0.000 . 2 . . . A 80 GLU HG2 . 17598 1 914 . 1 1 81 81 GLU HG3 H 1 2.024 0.000 . 2 . . . A 80 GLU HG3 . 17598 1 915 . 1 1 81 81 GLU CA C 13 55.074 0.000 . 1 . . . A 80 GLU CA . 17598 1 916 . 1 1 81 81 GLU CB C 13 32.643 0.000 . 1 . . . A 80 GLU CB . 17598 1 917 . 1 1 81 81 GLU CG C 13 37.988 0.000 . 1 . . . A 80 GLU CG . 17598 1 918 . 1 1 81 81 GLU N N 15 126.656 0.000 . 1 . . . A 80 GLU N . 17598 1 919 . 1 1 82 82 ILE H H 1 8.252 0.000 . 1 . . . A 81 ILE H . 17598 1 920 . 1 1 82 82 ILE HA H 1 5.033 0.000 . 1 . . . A 81 ILE HA . 17598 1 921 . 1 1 82 82 ILE HB H 1 1.577 0.000 . 1 . . . A 81 ILE HB . 17598 1 922 . 1 1 82 82 ILE HG12 H 1 1.051 0.000 . 2 . . . A 81 ILE HG12 . 17598 1 923 . 1 1 82 82 ILE HG13 H 1 1.050 0.000 . 2 . . . A 81 ILE HG13 . 17598 1 924 . 1 1 82 82 ILE HG21 H 1 0.672 0.000 . . . . . A 81 ILE HG21 . 17598 1 925 . 1 1 82 82 ILE HG22 H 1 0.672 0.000 . . . . . A 81 ILE HG22 . 17598 1 926 . 1 1 82 82 ILE HG23 H 1 0.672 0.000 . . . . . A 81 ILE HG23 . 17598 1 927 . 1 1 82 82 ILE HD11 H 1 0.689 0.000 . . . . . A 81 ILE HD11 . 17598 1 928 . 1 1 82 82 ILE HD12 H 1 0.689 0.000 . . . . . A 81 ILE HD12 . 17598 1 929 . 1 1 82 82 ILE HD13 H 1 0.689 0.000 . . . . . A 81 ILE HD13 . 17598 1 930 . 1 1 82 82 ILE CA C 13 60.228 0.000 . 1 . . . A 81 ILE CA . 17598 1 931 . 1 1 82 82 ILE CB C 13 39.038 0.000 . 1 . . . A 81 ILE CB . 17598 1 932 . 1 1 82 82 ILE CG1 C 13 26.675 0.000 . 1 . . . A 81 ILE CG1 . 17598 1 933 . 1 1 82 82 ILE CG2 C 13 18.440 0.000 . 1 . . . A 81 ILE CG2 . 17598 1 934 . 1 1 82 82 ILE CD1 C 13 13.217 0.000 . 1 . . . A 81 ILE CD1 . 17598 1 935 . 1 1 82 82 ILE N N 15 120.094 0.000 . 1 . . . A 81 ILE N . 17598 1 936 . 1 1 83 83 VAL H H 1 9.201 0.000 . 1 . . . A 82 VAL H . 17598 1 937 . 1 1 83 83 VAL HA H 1 5.222 0.000 . 1 . . . A 82 VAL HA . 17598 1 938 . 1 1 83 83 VAL HB H 1 2.247 0.000 . 1 . . . A 82 VAL HB . 17598 1 939 . 1 1 83 83 VAL HG11 H 1 0.791 0.000 . . . . . A 82 VAL HG11 . 17598 1 940 . 1 1 83 83 VAL HG12 H 1 0.791 0.000 . . . . . A 82 VAL HG12 . 17598 1 941 . 1 1 83 83 VAL HG13 H 1 0.791 0.000 . . . . . A 82 VAL HG13 . 17598 1 942 . 1 1 83 83 VAL HG21 H 1 0.678 0.000 . . . . . A 82 VAL HG21 . 17598 1 943 . 1 1 83 83 VAL HG22 H 1 0.678 0.000 . . . . . A 82 VAL HG22 . 17598 1 944 . 1 1 83 83 VAL HG23 H 1 0.678 0.000 . . . . . A 82 VAL HG23 . 17598 1 945 . 1 1 83 83 VAL CA C 13 57.223 0.000 . 1 . . . A 82 VAL CA . 17598 1 946 . 1 1 83 83 VAL CB C 13 33.593 0.000 . 1 . . . A 82 VAL CB . 17598 1 947 . 1 1 83 83 VAL CG1 C 13 19.048 0.000 . 2 . . . A 82 VAL CG1 . 17598 1 948 . 1 1 83 83 VAL CG2 C 13 18.324 0.000 . 2 . . . A 82 VAL CG2 . 17598 1 949 . 1 1 83 83 VAL N N 15 120.094 0.000 . 1 . . . A 82 VAL N . 17598 1 950 . 1 1 84 84 PRO HA H 1 4.375 0.000 . 1 . . . A 83 PRO HA . 17598 1 951 . 1 1 84 84 PRO HB2 H 1 1.634 0.000 . 2 . . . A 83 PRO HB2 . 17598 1 952 . 1 1 84 84 PRO HB3 H 1 1.633 0.000 . 2 . . . A 83 PRO HB3 . 17598 1 953 . 1 1 84 84 PRO HG2 H 1 1.988 0.000 . 2 . . . A 83 PRO HG2 . 17598 1 954 . 1 1 84 84 PRO HG3 H 1 1.843 0.000 . 2 . . . A 83 PRO HG3 . 17598 1 955 . 1 1 84 84 PRO HD2 H 1 3.961 0.000 . 2 . . . A 83 PRO HD2 . 17598 1 956 . 1 1 84 84 PRO HD3 H 1 3.748 0.000 . 2 . . . A 83 PRO HD3 . 17598 1 957 . 1 1 84 84 PRO CA C 13 62.042 0.000 . 1 . . . A 83 PRO CA . 17598 1 958 . 1 1 84 84 PRO CB C 13 31.857 0.000 . 1 . . . A 83 PRO CB . 17598 1 959 . 1 1 84 84 PRO CG C 13 26.860 0.000 . 1 . . . A 83 PRO CG . 17598 1 960 . 1 1 84 84 PRO CD C 13 50.456 0.000 . 1 . . . A 83 PRO CD . 17598 1 961 . 1 1 85 85 ASP H H 1 8.083 0.000 . 1 . . . A 84 ASP H . 17598 1 962 . 1 1 85 85 ASP HA H 1 4.505 0.000 . 1 . . . A 84 ASP HA . 17598 1 963 . 1 1 85 85 ASP HB2 H 1 2.945 0.000 . 2 . . . A 84 ASP HB2 . 17598 1 964 . 1 1 85 85 ASP HB3 H 1 2.188 0.000 . 2 . . . A 84 ASP HB3 . 17598 1 965 . 1 1 85 85 ASP CA C 13 52.497 0.000 . 1 . . . A 84 ASP CA . 17598 1 966 . 1 1 85 85 ASP CB C 13 41.234 0.000 . 1 . . . A 84 ASP CB . 17598 1 967 . 1 1 85 85 ASP N N 15 120.250 0.000 . 1 . . . A 84 ASP N . 17598 1 968 . 1 1 86 86 GLY H H 1 8.160 0.000 . 1 . . . A 85 GLY H . 17598 1 969 . 1 1 86 86 GLY HA2 H 1 3.647 0.000 . 2 . . . A 85 GLY HA2 . 17598 1 970 . 1 1 86 86 GLY HA3 H 1 4.194 0.000 . 2 . . . A 85 GLY HA3 . 17598 1 971 . 1 1 86 86 GLY CA C 13 45.052 0.000 . 1 . . . A 85 GLY CA . 17598 1 972 . 1 1 86 86 GLY N N 15 109.156 0.000 . 1 . . . A 85 GLY N . 17598 1 973 . 1 1 87 87 GLU H H 1 8.663 0.000 . 1 . . . A 86 GLU H . 17598 1 974 . 1 1 87 87 GLU HA H 1 4.441 0.000 . 1 . . . A 86 GLU HA . 17598 1 975 . 1 1 87 87 GLU HB2 H 1 1.713 0.000 . 2 . . . A 86 GLU HB2 . 17598 1 976 . 1 1 87 87 GLU HB3 H 1 1.712 0.000 . 2 . . . A 86 GLU HB3 . 17598 1 977 . 1 1 87 87 GLU HG2 H 1 2.071 0.000 . 2 . . . A 86 GLU HG2 . 17598 1 978 . 1 1 87 87 GLU HG3 H 1 2.072 0.000 . 2 . . . A 86 GLU HG3 . 17598 1 979 . 1 1 87 87 GLU CA C 13 54.979 0.000 . 1 . . . A 86 GLU CA . 17598 1 980 . 1 1 87 87 GLU CB C 13 30.162 0.000 . 1 . . . A 86 GLU CB . 17598 1 981 . 1 1 87 87 GLU CG C 13 35.836 0.000 . 1 . . . A 86 GLU CG . 17598 1 982 . 1 1 87 87 GLU N N 15 120.719 0.000 . 1 . . . A 86 GLU N . 17598 1 983 . 1 1 88 88 GLY H H 1 8.417 0.000 . 1 . . . A 87 GLY H . 17598 1 984 . 1 1 88 88 GLY HA2 H 1 4.215 0.000 . 2 . . . A 87 GLY HA2 . 17598 1 985 . 1 1 88 88 GLY HA3 H 1 3.449 0.000 . 2 . . . A 87 GLY HA3 . 17598 1 986 . 1 1 88 88 GLY CA C 13 44.765 0.000 . 1 . . . A 87 GLY CA . 17598 1 987 . 1 1 88 88 GLY N N 15 109.312 0.000 . 1 . . . A 87 GLY N . 17598 1 988 . 1 1 89 89 ASN H H 1 8.331 0.000 . 1 . . . A 88 ASN H . 17598 1 989 . 1 1 89 89 ASN HA H 1 4.997 0.000 . 1 . . . A 88 ASN HA . 17598 1 990 . 1 1 89 89 ASN HB2 H 1 2.842 0.000 . 2 . . . A 88 ASN HB2 . 17598 1 991 . 1 1 89 89 ASN HB3 H 1 2.727 0.000 . 2 . . . A 88 ASN HB3 . 17598 1 992 . 1 1 89 89 ASN HD21 H 1 6.933 0.000 . 2 . . . A 88 ASN HD21 . 17598 1 993 . 1 1 89 89 ASN HD22 H 1 8.519 0.000 . 2 . . . A 88 ASN HD22 . 17598 1 994 . 1 1 89 89 ASN CA C 13 50.970 0.000 . 1 . . . A 88 ASN CA . 17598 1 995 . 1 1 89 89 ASN CB C 13 40.088 0.000 . 1 . . . A 88 ASN CB . 17598 1 996 . 1 1 89 89 ASN N N 15 119.625 0.000 . 1 . . . A 88 ASN N . 17598 1 997 . 1 1 89 89 ASN ND2 N 15 118.424 0.000 . 1 . . . A 88 ASN ND2 . 17598 1 998 . 1 1 90 90 TRP H H 1 8.538 0.000 . 1 . . . A 89 TRP H . 17598 1 999 . 1 1 90 90 TRP HA H 1 5.161 0.000 . 1 . . . A 89 TRP HA . 17598 1 1000 . 1 1 90 90 TRP HB2 H 1 3.009 0.000 . 2 . . . A 89 TRP HB2 . 17598 1 1001 . 1 1 90 90 TRP HB3 H 1 2.909 0.000 . 2 . . . A 89 TRP HB3 . 17598 1 1002 . 1 1 90 90 TRP HD1 H 1 7.153 0.000 . 1 . . . A 89 TRP HD1 . 17598 1 1003 . 1 1 90 90 TRP HE1 H 1 10.264 0.000 . 1 . . . A 89 TRP HE1 . 17598 1 1004 . 1 1 90 90 TRP HE3 H 1 7.312 0.000 . 1 . . . A 89 TRP HE3 . 17598 1 1005 . 1 1 90 90 TRP HZ2 H 1 7.434 0.000 . 1 . . . A 89 TRP HZ2 . 17598 1 1006 . 1 1 90 90 TRP HZ3 H 1 7.053 0.000 . 1 . . . A 89 TRP HZ3 . 17598 1 1007 . 1 1 90 90 TRP HH2 H 1 7.190 0.000 . 1 . . . A 89 TRP HH2 . 17598 1 1008 . 1 1 90 90 TRP CA C 13 56.770 0.000 . 1 . . . A 89 TRP CA . 17598 1 1009 . 1 1 90 90 TRP CB C 13 32.261 0.000 . 1 . . . A 89 TRP CB . 17598 1 1010 . 1 1 90 90 TRP CD1 C 13 125.602 0.000 . 1 . . . A 89 TRP CD1 . 17598 1 1011 . 1 1 90 90 TRP CE3 C 13 119.471 0.000 . 1 . . . A 89 TRP CE3 . 17598 1 1012 . 1 1 90 90 TRP CZ2 C 13 113.522 0.000 . 1 . . . A 89 TRP CZ2 . 17598 1 1013 . 1 1 90 90 TRP CZ3 C 13 120.790 0.000 . 1 . . . A 89 TRP CZ3 . 17598 1 1014 . 1 1 90 90 TRP CH2 C 13 123.604 0.000 . 1 . . . A 89 TRP CH2 . 17598 1 1015 . 1 1 90 90 TRP N N 15 121.188 0.000 . 1 . . . A 89 TRP N . 17598 1 1016 . 1 1 90 90 TRP NE1 N 15 129.757 0.000 . 1 . . . A 89 TRP NE1 . 17598 1 1017 . 1 1 91 91 LEU H H 1 9.518 0.000 . 1 . . . A 90 LEU H . 17598 1 1018 . 1 1 91 91 LEU HA H 1 4.815 0.000 . 1 . . . A 90 LEU HA . 17598 1 1019 . 1 1 91 91 LEU HB2 H 1 1.601 0.000 . 2 . . . A 90 LEU HB2 . 17598 1 1020 . 1 1 91 91 LEU HB3 H 1 1.600 0.000 . 2 . . . A 90 LEU HB3 . 17598 1 1021 . 1 1 91 91 LEU HG H 1 0.849 0.000 . 1 . . . A 90 LEU HG . 17598 1 1022 . 1 1 91 91 LEU HD11 H 1 0.853 0.000 . . . . . A 90 LEU HD11 . 17598 1 1023 . 1 1 91 91 LEU HD12 H 1 0.853 0.000 . . . . . A 90 LEU HD12 . 17598 1 1024 . 1 1 91 91 LEU HD13 H 1 0.853 0.000 . . . . . A 90 LEU HD13 . 17598 1 1025 . 1 1 91 91 LEU HD21 H 1 0.854 0.000 . . . . . A 90 LEU HD21 . 17598 1 1026 . 1 1 91 91 LEU HD22 H 1 0.854 0.000 . . . . . A 90 LEU HD22 . 17598 1 1027 . 1 1 91 91 LEU HD23 H 1 0.854 0.000 . . . . . A 90 LEU HD23 . 17598 1 1028 . 1 1 91 91 LEU CA C 13 53.356 0.000 . 1 . . . A 90 LEU CA . 17598 1 1029 . 1 1 91 91 LEU CB C 13 45.243 0.000 . 1 . . . A 90 LEU CB . 17598 1 1030 . 1 1 91 91 LEU CG C 13 26.781 0.000 . 1 . . . A 90 LEU CG . 17598 1 1031 . 1 1 91 91 LEU CD1 C 13 25.416 0.000 . 2 . . . A 90 LEU CD1 . 17598 1 1032 . 1 1 91 91 LEU CD2 C 13 24.473 0.000 . 2 . . . A 90 LEU CD2 . 17598 1 1033 . 1 1 91 91 LEU N N 15 121.031 0.000 . 1 . . . A 90 LEU N . 17598 1 1034 . 1 1 92 92 GLU H H 1 8.490 0.000 . 1 . . . A 91 GLU H . 17598 1 1035 . 1 1 92 92 GLU HA H 1 5.052 0.000 . 1 . . . A 91 GLU HA . 17598 1 1036 . 1 1 92 92 GLU HB2 H 1 2.034 0.000 . 2 . . . A 91 GLU HB2 . 17598 1 1037 . 1 1 92 92 GLU HB3 H 1 1.792 0.000 . 2 . . . A 91 GLU HB3 . 17598 1 1038 . 1 1 92 92 GLU HG2 H 1 2.401 0.000 . 2 . . . A 91 GLU HG2 . 17598 1 1039 . 1 1 92 92 GLU HG3 H 1 2.044 0.000 . 2 . . . A 91 GLU HG3 . 17598 1 1040 . 1 1 92 92 GLU CA C 13 55.360 0.000 . 1 . . . A 91 GLU CA . 17598 1 1041 . 1 1 92 92 GLU CB C 13 31.402 0.000 . 1 . . . A 91 GLU CB . 17598 1 1042 . 1 1 92 92 GLU CG C 13 37.779 0.000 . 1 . . . A 91 GLU CG . 17598 1 1043 . 1 1 92 92 GLU N N 15 119.156 0.000 . 1 . . . A 91 GLU N . 17598 1 1044 . 1 1 93 93 ARG H H 1 9.283 0.000 . 1 . . . A 92 ARG H . 17598 1 1045 . 1 1 93 93 ARG HA H 1 5.064 0.000 . 1 . . . A 92 ARG HA . 17598 1 1046 . 1 1 93 93 ARG HB2 H 1 1.970 0.000 . 2 . . . A 92 ARG HB2 . 17598 1 1047 . 1 1 93 93 ARG HB3 H 1 1.461 0.000 . 2 . . . A 92 ARG HB3 . 17598 1 1048 . 1 1 93 93 ARG HG2 H 1 1.725 0.000 . 2 . . . A 92 ARG HG2 . 17598 1 1049 . 1 1 93 93 ARG HG3 H 1 1.483 0.000 . 2 . . . A 92 ARG HG3 . 17598 1 1050 . 1 1 93 93 ARG HD2 H 1 3.281 0.000 . 2 . . . A 92 ARG HD2 . 17598 1 1051 . 1 1 93 93 ARG HD3 H 1 3.138 0.000 . 2 . . . A 92 ARG HD3 . 17598 1 1052 . 1 1 93 93 ARG CA C 13 52.694 0.000 . 1 . . . A 92 ARG CA . 17598 1 1053 . 1 1 93 93 ARG CB C 13 34.161 0.000 . 1 . . . A 92 ARG CB . 17598 1 1054 . 1 1 93 93 ARG CG C 13 26.000 0.000 . 1 . . . A 92 ARG CG . 17598 1 1055 . 1 1 93 93 ARG CD C 13 43.698 0.000 . 1 . . . A 92 ARG CD . 17598 1 1056 . 1 1 93 93 ARG N N 15 124.938 0.000 . 1 . . . A 92 ARG N . 17598 1 1057 . 1 1 94 94 PRO HA H 1 5.243 0.000 . 1 . . . A 93 PRO HA . 17598 1 1058 . 1 1 94 94 PRO HB2 H 1 1.971 0.000 . 2 . . . A 93 PRO HB2 . 17598 1 1059 . 1 1 94 94 PRO HB3 H 1 2.322 0.000 . 2 . . . A 93 PRO HB3 . 17598 1 1060 . 1 1 94 94 PRO HG2 H 1 2.152 0.000 . 2 . . . A 93 PRO HG2 . 17598 1 1061 . 1 1 94 94 PRO HG3 H 1 1.972 0.000 . 2 . . . A 93 PRO HG3 . 17598 1 1062 . 1 1 94 94 PRO HD2 H 1 3.736 0.000 . 2 . . . A 93 PRO HD2 . 17598 1 1063 . 1 1 94 94 PRO HD3 H 1 3.875 0.000 . 2 . . . A 93 PRO HD3 . 17598 1 1064 . 1 1 94 94 PRO CA C 13 62.253 0.000 . 1 . . . A 93 PRO CA . 17598 1 1065 . 1 1 94 94 PRO CB C 13 32.574 0.000 . 1 . . . A 93 PRO CB . 17598 1 1066 . 1 1 94 94 PRO CG C 13 26.869 0.000 . 1 . . . A 93 PRO CG . 17598 1 1067 . 1 1 94 94 PRO CD C 13 51.257 0.000 . 1 . . . A 93 PRO CD . 17598 1 1068 . 1 1 95 95 ARG H H 1 9.115 0.000 . 1 . . . A 94 ARG H . 17598 1 1069 . 1 1 95 95 ARG HA H 1 4.696 0.000 . 1 . . . A 94 ARG HA . 17598 1 1070 . 1 1 95 95 ARG HB2 H 1 1.850 0.000 . 2 . . . A 94 ARG HB2 . 17598 1 1071 . 1 1 95 95 ARG HB3 H 1 1.726 0.000 . 2 . . . A 94 ARG HB3 . 17598 1 1072 . 1 1 95 95 ARG HG2 H 1 1.478 0.000 . 2 . . . A 94 ARG HG2 . 17598 1 1073 . 1 1 95 95 ARG HG3 H 1 1.361 0.000 . 2 . . . A 94 ARG HG3 . 17598 1 1074 . 1 1 95 95 ARG HD2 H 1 3.131 0.000 . 2 . . . A 94 ARG HD2 . 17598 1 1075 . 1 1 95 95 ARG HD3 H 1 3.060 0.000 . 2 . . . A 94 ARG HD3 . 17598 1 1076 . 1 1 95 95 ARG CA C 13 54.623 0.000 . 1 . . . A 94 ARG CA . 17598 1 1077 . 1 1 95 95 ARG CB C 13 33.392 0.000 . 1 . . . A 94 ARG CB . 17598 1 1078 . 1 1 95 95 ARG CG C 13 25.935 0.000 . 1 . . . A 94 ARG CG . 17598 1 1079 . 1 1 95 95 ARG CD C 13 43.331 0.000 . 1 . . . A 94 ARG CD . 17598 1 1080 . 1 1 95 95 ARG N N 15 120.416 0.000 . 1 . . . A 94 ARG N . 17598 1 1081 . 1 1 96 96 SER H H 1 8.676 0.000 . 1 . . . A 95 SER H . 17598 1 1082 . 1 1 96 96 SER HA H 1 5.781 0.000 . 1 . . . A 95 SER HA . 17598 1 1083 . 1 1 96 96 SER HB2 H 1 3.766 0.000 . 2 . . . A 95 SER HB2 . 17598 1 1084 . 1 1 96 96 SER HB3 H 1 3.547 0.000 . 2 . . . A 95 SER HB3 . 17598 1 1085 . 1 1 96 96 SER CA C 13 56.824 0.000 . 1 . . . A 95 SER CA . 17598 1 1086 . 1 1 96 96 SER CB C 13 65.906 0.000 . 1 . . . A 95 SER CB . 17598 1 1087 . 1 1 96 96 SER N N 15 115.719 0.000 . 1 . . . A 95 SER N . 17598 1 1088 . 1 1 97 97 LEU H H 1 9.030 0.000 . 1 . . . A 96 LEU H . 17598 1 1089 . 1 1 97 97 LEU HA H 1 4.873 0.000 . 1 . . . A 96 LEU HA . 17598 1 1090 . 1 1 97 97 LEU HB2 H 1 1.535 0.000 . 2 . . . A 96 LEU HB2 . 17598 1 1091 . 1 1 97 97 LEU HB3 H 1 1.761 0.000 . 2 . . . A 96 LEU HB3 . 17598 1 1092 . 1 1 97 97 LEU HG H 1 1.761 0.000 . 1 . . . A 96 LEU HG . 17598 1 1093 . 1 1 97 97 LEU HD11 H 1 0.747 0.000 . . . . . A 96 LEU HD11 . 17598 1 1094 . 1 1 97 97 LEU HD12 H 1 0.747 0.000 . . . . . A 96 LEU HD12 . 17598 1 1095 . 1 1 97 97 LEU HD13 H 1 0.747 0.000 . . . . . A 96 LEU HD13 . 17598 1 1096 . 1 1 97 97 LEU HD21 H 1 0.779 0.000 . . . . . A 96 LEU HD21 . 17598 1 1097 . 1 1 97 97 LEU HD22 H 1 0.779 0.000 . . . . . A 96 LEU HD22 . 17598 1 1098 . 1 1 97 97 LEU HD23 H 1 0.779 0.000 . . . . . A 96 LEU HD23 . 17598 1 1099 . 1 1 97 97 LEU CA C 13 55.034 0.000 . 1 . . . A 96 LEU CA . 17598 1 1100 . 1 1 97 97 LEU CB C 13 42.931 0.000 . 1 . . . A 96 LEU CB . 17598 1 1101 . 1 1 97 97 LEU CG C 13 28.792 0.000 . 1 . . . A 96 LEU CG . 17598 1 1102 . 1 1 97 97 LEU CD1 C 13 25.854 0.000 . 2 . . . A 96 LEU CD1 . 17598 1 1103 . 1 1 97 97 LEU CD2 C 13 24.914 0.000 . 2 . . . A 96 LEU CD2 . 17598 1 1104 . 1 1 97 97 LEU N N 15 126.188 0.000 . 1 . . . A 96 LEU N . 17598 1 1105 . 1 1 98 98 THR H H 1 8.410 0.000 . 1 . . . A 97 THR H . 17598 1 1106 . 1 1 98 98 THR HA H 1 4.869 0.000 . 1 . . . A 97 THR HA . 17598 1 1107 . 1 1 98 98 THR HB H 1 4.213 0.000 . 1 . . . A 97 THR HB . 17598 1 1108 . 1 1 98 98 THR HG21 H 1 1.185 0.000 . . . . . A 97 THR HG21 . 17598 1 1109 . 1 1 98 98 THR HG22 H 1 1.185 0.000 . . . . . A 97 THR HG22 . 17598 1 1110 . 1 1 98 98 THR HG23 H 1 1.185 0.000 . . . . . A 97 THR HG23 . 17598 1 1111 . 1 1 98 98 THR CA C 13 60.265 0.000 . 1 . . . A 97 THR CA . 17598 1 1112 . 1 1 98 98 THR CB C 13 70.650 0.000 . 1 . . . A 97 THR CB . 17598 1 1113 . 1 1 98 98 THR CG2 C 13 21.895 0.000 . 1 . . . A 97 THR CG2 . 17598 1 1114 . 1 1 98 98 THR N N 15 113.687 0.000 . 1 . . . A 97 THR N . 17598 1 1115 . 1 1 99 99 LEU H H 1 7.806 0.000 . 1 . . . A 98 LEU H . 17598 1 1116 . 1 1 99 99 LEU HA H 1 4.085 0.000 . 1 . . . A 98 LEU HA . 17598 1 1117 . 1 1 99 99 LEU HB2 H 1 1.745 0.000 . 2 . . . A 98 LEU HB2 . 17598 1 1118 . 1 1 99 99 LEU HB3 H 1 1.520 0.000 . 2 . . . A 98 LEU HB3 . 17598 1 1119 . 1 1 99 99 LEU HG H 1 1.527 0.000 . 1 . . . A 98 LEU HG . 17598 1 1120 . 1 1 99 99 LEU HD11 H 1 0.857 0.000 . . . . . A 98 LEU HD11 . 17598 1 1121 . 1 1 99 99 LEU HD12 H 1 0.857 0.000 . . . . . A 98 LEU HD12 . 17598 1 1122 . 1 1 99 99 LEU HD13 H 1 0.857 0.000 . . . . . A 98 LEU HD13 . 17598 1 1123 . 1 1 99 99 LEU HD21 H 1 0.849 0.000 . . . . . A 98 LEU HD21 . 17598 1 1124 . 1 1 99 99 LEU HD22 H 1 0.849 0.000 . . . . . A 98 LEU HD22 . 17598 1 1125 . 1 1 99 99 LEU HD23 H 1 0.849 0.000 . . . . . A 98 LEU HD23 . 17598 1 1126 . 1 1 99 99 LEU CA C 13 55.771 0.000 . 1 . . . A 98 LEU CA . 17598 1 1127 . 1 1 99 99 LEU CB C 13 43.053 0.000 . 1 . . . A 98 LEU CB . 17598 1 1128 . 1 1 99 99 LEU CG C 13 26.752 0.000 . 1 . . . A 98 LEU CG . 17598 1 1129 . 1 1 99 99 LEU CD1 C 13 25.350 0.000 . 2 . . . A 98 LEU CD1 . 17598 1 1130 . 1 1 99 99 LEU CD2 C 13 24.084 0.000 . 2 . . . A 98 LEU CD2 . 17598 1 1131 . 1 1 99 99 LEU N N 15 126.344 0.000 . 1 . . . A 98 LEU N . 17598 1 1132 . 1 1 100 100 LYS H H 1 8.816 0.000 . 1 . . . A 99 LYS H . 17598 1 1133 . 1 1 100 100 LYS HA H 1 4.395 0.000 . 1 . . . A 99 LYS HA . 17598 1 1134 . 1 1 100 100 LYS HB2 H 1 1.679 0.000 . 2 . . . A 99 LYS HB2 . 17598 1 1135 . 1 1 100 100 LYS HB3 H 1 1.680 0.000 . 2 . . . A 99 LYS HB3 . 17598 1 1136 . 1 1 100 100 LYS HG2 H 1 1.374 0.000 . 2 . . . A 99 LYS HG2 . 17598 1 1137 . 1 1 100 100 LYS HG3 H 1 1.375 0.000 . 2 . . . A 99 LYS HG3 . 17598 1 1138 . 1 1 100 100 LYS HD2 H 1 1.781 0.000 . 2 . . . A 99 LYS HD2 . 17598 1 1139 . 1 1 100 100 LYS HD3 H 1 1.780 0.000 . 2 . . . A 99 LYS HD3 . 17598 1 1140 . 1 1 100 100 LYS HE2 H 1 2.972 0.000 . 2 . . . A 99 LYS HE2 . 17598 1 1141 . 1 1 100 100 LYS HE3 H 1 2.971 0.000 . 2 . . . A 99 LYS HE3 . 17598 1 1142 . 1 1 100 100 LYS CA C 13 55.915 0.000 . 1 . . . A 99 LYS CA . 17598 1 1143 . 1 1 100 100 LYS CB C 13 33.060 0.000 . 1 . . . A 99 LYS CB . 17598 1 1144 . 1 1 100 100 LYS CG C 13 24.588 0.000 . 1 . . . A 99 LYS CG . 17598 1 1145 . 1 1 100 100 LYS CD C 13 29.077 0.000 . 1 . . . A 99 LYS CD . 17598 1 1146 . 1 1 100 100 LYS CE C 13 41.958 0.000 . 1 . . . A 99 LYS CE . 17598 1 1147 . 1 1 100 100 LYS N N 15 128.063 0.000 . 1 . . . A 99 LYS N . 17598 1 1148 . 1 1 101 101 GLU H H 1 8.323 0.000 . 1 . . . A 100 GLU H . 17598 1 1149 . 1 1 101 101 GLU HA H 1 3.989 0.000 . 1 . . . A 100 GLU HA . 17598 1 1150 . 1 1 101 101 GLU HB2 H 1 2.625 0.000 . 2 . . . A 100 GLU HB2 . 17598 1 1151 . 1 1 101 101 GLU HB3 H 1 2.626 0.000 . 2 . . . A 100 GLU HB3 . 17598 1 1152 . 1 1 101 101 GLU HG2 H 1 2.282 0.000 . 2 . . . A 100 GLU HG2 . 17598 1 1153 . 1 1 101 101 GLU HG3 H 1 2.283 0.000 . 2 . . . A 100 GLU HG3 . 17598 1 1154 . 1 1 101 101 GLU CA C 13 55.970 0.000 . 1 . . . A 100 GLU CA . 17598 1 1155 . 1 1 101 101 GLU CB C 13 30.589 0.000 . 1 . . . A 100 GLU CB . 17598 1 1156 . 1 1 101 101 GLU CG C 13 36.294 0.000 . 1 . . . A 100 GLU CG . 17598 1 1157 . 1 1 101 101 GLU N N 15 123.531 0.000 . 1 . . . A 100 GLU N . 17598 1 1158 . 1 1 102 102 ARG H H 1 8.414 0.000 . 1 . . . A 101 ARG H . 17598 1 1159 . 1 1 102 102 ARG HA H 1 4.367 0.000 . 1 . . . A 101 ARG HA . 17598 1 1160 . 1 1 102 102 ARG HB2 H 1 1.829 0.000 . 2 . . . A 101 ARG HB2 . 17598 1 1161 . 1 1 102 102 ARG HB3 H 1 1.828 0.000 . 2 . . . A 101 ARG HB3 . 17598 1 1162 . 1 1 102 102 ARG HG2 H 1 1.637 0.000 . 2 . . . A 101 ARG HG2 . 17598 1 1163 . 1 1 102 102 ARG HG3 H 1 1.638 0.000 . 2 . . . A 101 ARG HG3 . 17598 1 1164 . 1 1 102 102 ARG HD2 H 1 3.191 0.000 . 2 . . . A 101 ARG HD2 . 17598 1 1165 . 1 1 102 102 ARG HD3 H 1 3.190 0.000 . 2 . . . A 101 ARG HD3 . 17598 1 1166 . 1 1 102 102 ARG CA C 13 55.774 0.000 . 1 . . . A 101 ARG CA . 17598 1 1167 . 1 1 102 102 ARG CB C 13 30.559 0.000 . 1 . . . A 101 ARG CB . 17598 1 1168 . 1 1 102 102 ARG CG C 13 27.084 0.000 . 1 . . . A 101 ARG CG . 17598 1 1169 . 1 1 102 102 ARG CD C 13 43.202 0.000 . 1 . . . A 101 ARG CD . 17598 1 1170 . 1 1 102 102 ARG N N 15 122.965 0.000 . 1 . . . A 101 ARG N . 17598 1 1171 . 1 1 103 103 SER H H 1 8.423 0.000 . 1 . . . A 102 SER H . 17598 1 1172 . 1 1 103 103 SER HA H 1 4.431 0.000 . 1 . . . A 102 SER HA . 17598 1 1173 . 1 1 103 103 SER HB2 H 1 3.875 0.000 . 2 . . . A 102 SER HB2 . 17598 1 1174 . 1 1 103 103 SER HB3 H 1 3.874 0.000 . 2 . . . A 102 SER HB3 . 17598 1 1175 . 1 1 103 103 SER CA C 13 58.079 0.000 . 1 . . . A 102 SER CA . 17598 1 1176 . 1 1 103 103 SER CB C 13 63.554 0.000 . 1 . . . A 102 SER CB . 17598 1 1177 . 1 1 103 103 SER N N 15 117.435 0.000 . 1 . . . A 102 SER N . 17598 1 1178 . 1 1 104 104 LEU H H 1 8.369 0.000 . 1 . . . A 103 LEU H . 17598 1 1179 . 1 1 104 104 LEU HA H 1 4.324 0.000 . 1 . . . A 103 LEU HA . 17598 1 1180 . 1 1 104 104 LEU HB2 H 1 1.595 0.000 . 2 . . . A 103 LEU HB2 . 17598 1 1181 . 1 1 104 104 LEU HB3 H 1 1.596 0.000 . 2 . . . A 103 LEU HB3 . 17598 1 1182 . 1 1 104 104 LEU HG H 1 1.597 0.000 . 1 . . . A 103 LEU HG . 17598 1 1183 . 1 1 104 104 LEU HD11 H 1 0.868 0.000 . . . . . A 103 LEU HD11 . 17598 1 1184 . 1 1 104 104 LEU HD12 H 1 0.868 0.000 . . . . . A 103 LEU HD12 . 17598 1 1185 . 1 1 104 104 LEU HD13 H 1 0.868 0.000 . . . . . A 103 LEU HD13 . 17598 1 1186 . 1 1 104 104 LEU HD21 H 1 0.869 0.000 . . . . . A 103 LEU HD21 . 17598 1 1187 . 1 1 104 104 LEU HD22 H 1 0.869 0.000 . . . . . A 103 LEU HD22 . 17598 1 1188 . 1 1 104 104 LEU HD23 H 1 0.869 0.000 . . . . . A 103 LEU HD23 . 17598 1 1189 . 1 1 104 104 LEU CA C 13 55.124 0.000 . 1 . . . A 103 LEU CA . 17598 1 1190 . 1 1 104 104 LEU CB C 13 41.989 0.000 . 1 . . . A 103 LEU CB . 17598 1 1191 . 1 1 104 104 LEU CG C 13 26.815 0.000 . 1 . . . A 103 LEU CG . 17598 1 1192 . 1 1 104 104 LEU CD1 C 13 24.858 0.000 . 2 . . . A 103 LEU CD1 . 17598 1 1193 . 1 1 104 104 LEU CD2 C 13 23.153 0.000 . 2 . . . A 103 LEU CD2 . 17598 1 1194 . 1 1 104 104 LEU N N 15 124.423 0.000 . 1 . . . A 103 LEU N . 17598 1 1195 . 1 1 105 105 GLU H H 1 8.249 0.000 . 1 . . . A 104 GLU H . 17598 1 1196 . 1 1 105 105 GLU HA H 1 4.014 0.000 . 1 . . . A 104 GLU HA . 17598 1 1197 . 1 1 105 105 GLU HB2 H 1 2.380 0.000 . 2 . . . A 104 GLU HB2 . 17598 1 1198 . 1 1 105 105 GLU HB3 H 1 2.381 0.000 . 2 . . . A 104 GLU HB3 . 17598 1 1199 . 1 1 105 105 GLU CA C 13 57.945 0.000 . 1 . . . A 104 GLU CA . 17598 1 1200 . 1 1 105 105 GLU CB C 13 29.846 0.000 . 1 . . . A 104 GLU CB . 17598 1 1201 . 1 1 105 105 GLU CG C 13 34.077 0.000 . 1 . . . A 104 GLU CG . 17598 1 1202 . 1 1 105 105 GLU N N 15 120.875 0.000 . 1 . . . A 104 GLU N . 17598 1 1203 . 1 1 106 106 HIS H H 1 8.274 0.000 . 1 . . . A 105 HIS H . 17598 1 1204 . 1 1 106 106 HIS CA C 13 56.608 0.000 . 1 . . . A 105 HIS CA . 17598 1 1205 . 1 1 106 106 HIS CB C 13 32.448 0.000 . 1 . . . A 105 HIS CB . 17598 1 1206 . 1 1 106 106 HIS N N 15 120.719 0.000 . 1 . . . A 105 HIS N . 17598 1 1207 . 1 1 107 107 HIS HA H 1 4.586 0.000 . 1 . . . A 106 HIS HA . 17598 1 1208 . 1 1 107 107 HIS HB2 H 1 3.074 0.000 . 2 . . . A 106 HIS HB2 . 17598 1 1209 . 1 1 107 107 HIS HB3 H 1 3.075 0.000 . 2 . . . A 106 HIS HB3 . 17598 1 1210 . 1 1 107 107 HIS CA C 13 55.804 0.000 . 1 . . . A 106 HIS CA . 17598 1 1211 . 1 1 107 107 HIS CB C 13 30.424 0.000 . 1 . . . A 106 HIS CB . 17598 1 1212 . 1 1 108 108 HIS H H 1 7.941 0.000 . 1 . . . A 107 HIS H . 17598 1 1213 . 1 1 108 108 HIS CA C 13 57.105 0.000 . 1 . . . A 107 HIS CA . 17598 1 1214 . 1 1 108 108 HIS CB C 13 30.424 0.000 . 1 . . . A 107 HIS CB . 17598 1 1215 . 1 1 108 108 HIS N N 15 125.843 0.000 . 1 . . . A 107 HIS N . 17598 1 stop_ save_