data_5606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5606 _Entry.Title ; 1H 13C and 15N chemical shift assignments for HI0719 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-02 _Entry.Accession_date 2002-12-02 _Entry.Last_release_date 2003-06-02 _Entry.Original_release_date 2003-06-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lisa Parsons . . . 5606 2 John Orban . . . 5606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 794 5606 '13C chemical shifts' 441 5606 '15N chemical shifts' 123 5606 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 . . 2003-06-02 2002-12-02 original author . 5606 stop_ save_ ############### # Citations # ############### save_HI0719_paper _Citation.Sf_category citations _Citation.Sf_framecode HI0719_paper _Citation.Entry_ID 5606 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22403672 _Citation.DOI . _Citation.PubMed_ID 12515541 _Citation.Full_citation . _Citation.Title ; Solution Structure and Functional Ligand Screening of HI0719, a Highly Conserved Protein from Bacteria to Humans in the YjgF/YER057c/UK114 Family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 42 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 80 _Citation.Page_last 89 _Citation.Year 2003 _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 Lisa Parsons . . . 5606 1 2 Nicklas Bonander . . . 5606 1 3 Edward Eisenstein . . . 5606 1 4 Michael Gilson . . . 5606 1 5 Visvaldas Kairys . . . 5606 1 6 John Orban . . . 5606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HI0719_homotrimer _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HI0719_homotrimer _Assembly.Entry_ID 5606 _Assembly.ID 1 _Assembly.Name 'HI0719 homotrimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID trimer 5606 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HI0719 homotrimer 1' 1 $HI0719 . . . native . . 1 . . 5606 1 2 'HI0719 homotrimer 2' 1 $HI0719 . . . native . . 2 . . 5606 1 3 'HI0719 homotrimer 3' 1 $HI0719 . . . native . . 3 . . 5606 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HI0719 homotrimer' system 5606 1 HI0719 abbreviation 5606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HI0719 _Entity.Sf_category entity _Entity.Sf_framecode HI0719 _Entity.Entry_ID 5606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HI0719 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MMTQIIHTEKAPAAIGPYVQ AVDLGNLVLTSGQIPVNPAT GEVPADIVAQARQSLENVKA IIEKAGLTAADIVKTTVFVK DLNDFAAVNAEYERFFKENN HPNFPARSCVEVARLPKDVG LEIEAIAVRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1J7H . "Solution Structure Of Hi0719, A Hypothetical Protein From Haemophilus Influenzae" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 2 no EMBL CBW29037 . "ketoacid-binding protein [Haemophilus influenzae 10810]" . . . . . 100.00 150 100.00 100.00 5.26e-88 . . . . 5606 1 3 no EMBL CBY86245 . "conserved hypothetical protein [Haemophilus influenzae F3047]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 4 no GB AAC22376 . "conserved hypothetical protein [Haemophilus influenzae Rd KW20]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 5 no GB AAX87747 . "putative translation initiation inhibitor, YjgF family [Haemophilus influenzae 86-028NP]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 6 no GB ABQ99007 . "putative translation initiation inhibitor, YjgF family protein [Haemophilus influenzae PittEE]" . . . . . 99.23 129 100.00 100.00 1.71e-86 . . . . 5606 1 7 no GB ABR00257 . "transcription antitermination protein NusG [Haemophilus influenzae PittGG]" . . . . . 99.23 129 99.22 100.00 3.91e-86 . . . . 5606 1 8 no GB ADO81666 . "Conserved hypothetical protein [Haemophilus influenzae R2866]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 9 no REF NP_438877 . "hypothetical protein HI0719 [Haemophilus influenzae Rd KW20]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 10 no REF WP_005629596 . "endoribonuclease L-PSP [Haemophilus haemolyticus]" . . . . . 99.23 129 99.22 100.00 3.91e-86 . . . . 5606 1 11 no REF WP_005630808 . "MULTISPECIES: endoribonuclease L-PSP [Haemophilus]" . . . . . 99.23 129 100.00 100.00 1.71e-86 . . . . 5606 1 12 no REF WP_005633088 . "endoribonuclease L-PSP [Haemophilus influenzae]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 13 no REF WP_005641565 . "endoribonuclease L-PSP [Haemophilus haemolyticus]" . . . . . 100.00 130 98.46 98.46 3.11e-86 . . . . 5606 1 14 no SP P44839 . "RecName: Full=RutC family protein HI_0719 [Haemophilus influenzae Rd KW20]" . . . . . 100.00 130 100.00 100.00 1.69e-87 . . . . 5606 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HI0719 common 5606 1 HI0719 abbreviation 5606 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 5606 1 2 2 MET . 5606 1 3 3 THR . 5606 1 4 4 GLN . 5606 1 5 5 ILE . 5606 1 6 6 ILE . 5606 1 7 7 HIS . 5606 1 8 8 THR . 5606 1 9 9 GLU . 5606 1 10 10 LYS . 5606 1 11 11 ALA . 5606 1 12 12 PRO . 5606 1 13 13 ALA . 5606 1 14 14 ALA . 5606 1 15 15 ILE . 5606 1 16 16 GLY . 5606 1 17 17 PRO . 5606 1 18 18 TYR . 5606 1 19 19 VAL . 5606 1 20 20 GLN . 5606 1 21 21 ALA . 5606 1 22 22 VAL . 5606 1 23 23 ASP . 5606 1 24 24 LEU . 5606 1 25 25 GLY . 5606 1 26 26 ASN . 5606 1 27 27 LEU . 5606 1 28 28 VAL . 5606 1 29 29 LEU . 5606 1 30 30 THR . 5606 1 31 31 SER . 5606 1 32 32 GLY . 5606 1 33 33 GLN . 5606 1 34 34 ILE . 5606 1 35 35 PRO . 5606 1 36 36 VAL . 5606 1 37 37 ASN . 5606 1 38 38 PRO . 5606 1 39 39 ALA . 5606 1 40 40 THR . 5606 1 41 41 GLY . 5606 1 42 42 GLU . 5606 1 43 43 VAL . 5606 1 44 44 PRO . 5606 1 45 45 ALA . 5606 1 46 46 ASP . 5606 1 47 47 ILE . 5606 1 48 48 VAL . 5606 1 49 49 ALA . 5606 1 50 50 GLN . 5606 1 51 51 ALA . 5606 1 52 52 ARG . 5606 1 53 53 GLN . 5606 1 54 54 SER . 5606 1 55 55 LEU . 5606 1 56 56 GLU . 5606 1 57 57 ASN . 5606 1 58 58 VAL . 5606 1 59 59 LYS . 5606 1 60 60 ALA . 5606 1 61 61 ILE . 5606 1 62 62 ILE . 5606 1 63 63 GLU . 5606 1 64 64 LYS . 5606 1 65 65 ALA . 5606 1 66 66 GLY . 5606 1 67 67 LEU . 5606 1 68 68 THR . 5606 1 69 69 ALA . 5606 1 70 70 ALA . 5606 1 71 71 ASP . 5606 1 72 72 ILE . 5606 1 73 73 VAL . 5606 1 74 74 LYS . 5606 1 75 75 THR . 5606 1 76 76 THR . 5606 1 77 77 VAL . 5606 1 78 78 PHE . 5606 1 79 79 VAL . 5606 1 80 80 LYS . 5606 1 81 81 ASP . 5606 1 82 82 LEU . 5606 1 83 83 ASN . 5606 1 84 84 ASP . 5606 1 85 85 PHE . 5606 1 86 86 ALA . 5606 1 87 87 ALA . 5606 1 88 88 VAL . 5606 1 89 89 ASN . 5606 1 90 90 ALA . 5606 1 91 91 GLU . 5606 1 92 92 TYR . 5606 1 93 93 GLU . 5606 1 94 94 ARG . 5606 1 95 95 PHE . 5606 1 96 96 PHE . 5606 1 97 97 LYS . 5606 1 98 98 GLU . 5606 1 99 99 ASN . 5606 1 100 100 ASN . 5606 1 101 101 HIS . 5606 1 102 102 PRO . 5606 1 103 103 ASN . 5606 1 104 104 PHE . 5606 1 105 105 PRO . 5606 1 106 106 ALA . 5606 1 107 107 ARG . 5606 1 108 108 SER . 5606 1 109 109 CYS . 5606 1 110 110 VAL . 5606 1 111 111 GLU . 5606 1 112 112 VAL . 5606 1 113 113 ALA . 5606 1 114 114 ARG . 5606 1 115 115 LEU . 5606 1 116 116 PRO . 5606 1 117 117 LYS . 5606 1 118 118 ASP . 5606 1 119 119 VAL . 5606 1 120 120 GLY . 5606 1 121 121 LEU . 5606 1 122 122 GLU . 5606 1 123 123 ILE . 5606 1 124 124 GLU . 5606 1 125 125 ALA . 5606 1 126 126 ILE . 5606 1 127 127 ALA . 5606 1 128 128 VAL . 5606 1 129 129 ARG . 5606 1 130 130 LYS . 5606 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5606 1 . MET 2 2 5606 1 . THR 3 3 5606 1 . GLN 4 4 5606 1 . ILE 5 5 5606 1 . ILE 6 6 5606 1 . HIS 7 7 5606 1 . THR 8 8 5606 1 . GLU 9 9 5606 1 . LYS 10 10 5606 1 . ALA 11 11 5606 1 . PRO 12 12 5606 1 . ALA 13 13 5606 1 . ALA 14 14 5606 1 . ILE 15 15 5606 1 . GLY 16 16 5606 1 . PRO 17 17 5606 1 . TYR 18 18 5606 1 . VAL 19 19 5606 1 . GLN 20 20 5606 1 . ALA 21 21 5606 1 . VAL 22 22 5606 1 . ASP 23 23 5606 1 . LEU 24 24 5606 1 . GLY 25 25 5606 1 . ASN 26 26 5606 1 . LEU 27 27 5606 1 . VAL 28 28 5606 1 . LEU 29 29 5606 1 . THR 30 30 5606 1 . SER 31 31 5606 1 . GLY 32 32 5606 1 . GLN 33 33 5606 1 . ILE 34 34 5606 1 . PRO 35 35 5606 1 . VAL 36 36 5606 1 . ASN 37 37 5606 1 . PRO 38 38 5606 1 . ALA 39 39 5606 1 . THR 40 40 5606 1 . GLY 41 41 5606 1 . GLU 42 42 5606 1 . VAL 43 43 5606 1 . PRO 44 44 5606 1 . ALA 45 45 5606 1 . ASP 46 46 5606 1 . ILE 47 47 5606 1 . VAL 48 48 5606 1 . ALA 49 49 5606 1 . GLN 50 50 5606 1 . ALA 51 51 5606 1 . ARG 52 52 5606 1 . GLN 53 53 5606 1 . SER 54 54 5606 1 . LEU 55 55 5606 1 . GLU 56 56 5606 1 . ASN 57 57 5606 1 . VAL 58 58 5606 1 . LYS 59 59 5606 1 . ALA 60 60 5606 1 . ILE 61 61 5606 1 . ILE 62 62 5606 1 . GLU 63 63 5606 1 . LYS 64 64 5606 1 . ALA 65 65 5606 1 . GLY 66 66 5606 1 . LEU 67 67 5606 1 . THR 68 68 5606 1 . ALA 69 69 5606 1 . ALA 70 70 5606 1 . ASP 71 71 5606 1 . ILE 72 72 5606 1 . VAL 73 73 5606 1 . LYS 74 74 5606 1 . THR 75 75 5606 1 . THR 76 76 5606 1 . VAL 77 77 5606 1 . PHE 78 78 5606 1 . VAL 79 79 5606 1 . LYS 80 80 5606 1 . ASP 81 81 5606 1 . LEU 82 82 5606 1 . ASN 83 83 5606 1 . ASP 84 84 5606 1 . PHE 85 85 5606 1 . ALA 86 86 5606 1 . ALA 87 87 5606 1 . VAL 88 88 5606 1 . ASN 89 89 5606 1 . ALA 90 90 5606 1 . GLU 91 91 5606 1 . TYR 92 92 5606 1 . GLU 93 93 5606 1 . ARG 94 94 5606 1 . PHE 95 95 5606 1 . PHE 96 96 5606 1 . LYS 97 97 5606 1 . GLU 98 98 5606 1 . ASN 99 99 5606 1 . ASN 100 100 5606 1 . HIS 101 101 5606 1 . PRO 102 102 5606 1 . ASN 103 103 5606 1 . PHE 104 104 5606 1 . PRO 105 105 5606 1 . ALA 106 106 5606 1 . ARG 107 107 5606 1 . SER 108 108 5606 1 . CYS 109 109 5606 1 . VAL 110 110 5606 1 . GLU 111 111 5606 1 . VAL 112 112 5606 1 . ALA 113 113 5606 1 . ARG 114 114 5606 1 . LEU 115 115 5606 1 . PRO 116 116 5606 1 . LYS 117 117 5606 1 . ASP 118 118 5606 1 . VAL 119 119 5606 1 . GLY 120 120 5606 1 . LEU 121 121 5606 1 . GLU 122 122 5606 1 . ILE 123 123 5606 1 . GLU 124 124 5606 1 . ALA 125 125 5606 1 . ILE 126 126 5606 1 . ALA 127 127 5606 1 . VAL 128 128 5606 1 . ARG 129 129 5606 1 . LYS 130 130 5606 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 5606 _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 $HI0719 . 727 organism . 'Haemophilus influenzae' 'Haemophilus influenzae' . . Bacteria . Haemophilus influenzae . . . . . . . . . . . . . . . . . . . . . 5606 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 5606 _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 $HI0719 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5606 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HI0719 '[U-13C; U-15N]' . . 1 $HI0719 . . 1.5 . . mM . . . . 5606 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5606 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HI0719 [U-15N] . . 1 $HI0719 . . 1.5 . . mM . . . . 5606 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5606 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HI0719 '[U-13C; U-15N]' . . 1 $HI0719 . . 1.5 . . mM . . . . 5606 3 2 HI0719 . . . 1 $HI0719 . . 1.5 . . mM . . . . 5606 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 5606 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 . pH 5606 1 temperature 308 0.1 K 5606 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 5606 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5606 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 5606 1 2 spectrometer_2 Bruker DRX . 600 . . . 5606 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 5606 _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 . . . . . . . . . . . . . . . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 5606 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.75 . . 1.0 . . . 1 $HI0719_paper . . 1 $HI0719_paper 5606 1 N 15 H2O protons . . . . ppm . . . . . . . 1 $HI0719_paper . . 1 $HI0719_paper 5606 1 C 13 H2O protons . . . . ppm . . . . . . . 1 $HI0719_paper . . 1 $HI0719_paper 5606 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_cs_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_set _Assigned_chem_shift_list.Entry_ID 5606 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5606 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 121.86 0.015 . 1 . . . . . . . . 5606 1 2 . 1 1 1 1 MET H H 1 8.49 0.015 . 1 . . . . . . . . 5606 1 3 . 1 1 1 1 MET CA C 13 55.45 0.015 . 1 . . . . . . . . 5606 1 4 . 1 1 1 1 MET HA H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 5 . 1 1 1 1 MET CB C 13 33.54 0.015 . 1 . . . . . . . . 5606 1 6 . 1 1 1 1 MET HB2 H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 7 . 1 1 1 1 MET HB3 H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 8 . 1 1 1 1 MET C C 13 176.5 0.015 . 1 . . . . . . . . 5606 1 9 . 1 1 2 2 MET N N 15 120.36 0.015 . 1 . . . . . . . . 5606 1 10 . 1 1 2 2 MET H H 1 8.23 0.015 . 1 . . . . . . . . 5606 1 11 . 1 1 2 2 MET CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 12 . 1 1 2 2 MET HA H 1 4.7 0.015 . 1 . . . . . . . . 5606 1 13 . 1 1 2 2 MET CB C 13 34.56 0.015 . 1 . . . . . . . . 5606 1 14 . 1 1 2 2 MET HB2 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 15 . 1 1 2 2 MET HB3 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 16 . 1 1 2 2 MET HG2 H 1 2.54 0.015 . 1 . . . . . . . . 5606 1 17 . 1 1 2 2 MET HG3 H 1 2.54 0.015 . 1 . . . . . . . . 5606 1 18 . 1 1 2 2 MET C C 13 176.15 0.015 . 1 . . . . . . . . 5606 1 19 . 1 1 3 3 THR N N 15 115.36 0.015 . 1 . . . . . . . . 5606 1 20 . 1 1 3 3 THR H H 1 8.31 0.015 . 1 . . . . . . . . 5606 1 21 . 1 1 3 3 THR CA C 13 62.58 0.015 . 1 . . . . . . . . 5606 1 22 . 1 1 3 3 THR HA H 1 4.62 0.015 . 1 . . . . . . . . 5606 1 23 . 1 1 3 3 THR CB C 13 70.22 0.015 . 1 . . . . . . . . 5606 1 24 . 1 1 3 3 THR HB H 1 4.15 0.015 . 1 . . . . . . . . 5606 1 25 . 1 1 3 3 THR CG2 C 13 22.7 0.015 . 1 . . . . . . . . 5606 1 26 . 1 1 3 3 THR HG21 H 1 1.19 0.015 . 1 . . . . . . . . 5606 1 27 . 1 1 3 3 THR HG22 H 1 1.19 0.015 . 1 . . . . . . . . 5606 1 28 . 1 1 3 3 THR HG23 H 1 1.19 0.015 . 1 . . . . . . . . 5606 1 29 . 1 1 3 3 THR C C 13 175.7 0.015 . 1 . . . . . . . . 5606 1 30 . 1 1 4 4 GLN N N 15 123.86 0.015 . 1 . . . . . . . . 5606 1 31 . 1 1 4 4 GLN H H 1 8.67 0.015 . 1 . . . . . . . . 5606 1 32 . 1 1 4 4 GLN CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 33 . 1 1 4 4 GLN HA H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 34 . 1 1 4 4 GLN CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 35 . 1 1 4 4 GLN HB2 H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 36 . 1 1 4 4 GLN HB3 H 1 2.1 0.015 . 1 . . . . . . . . 5606 1 37 . 1 1 4 4 GLN HG2 H 1 2.43 0.015 . 1 . . . . . . . . 5606 1 38 . 1 1 4 4 GLN HG3 H 1 2.43 0.015 . 1 . . . . . . . . 5606 1 39 . 1 1 5 5 ILE N N 15 120.8 0.015 . 1 . . . . . . . . 5606 1 40 . 1 1 5 5 ILE H H 1 8.73 0.015 . 1 . . . . . . . . 5606 1 41 . 1 1 5 5 ILE CA C 13 59.96 0.015 . 1 . . . . . . . . 5606 1 42 . 1 1 5 5 ILE HA H 1 4.82 0.015 . 1 . . . . . . . . 5606 1 43 . 1 1 5 5 ILE CB C 13 39.07 0.015 . 1 . . . . . . . . 5606 1 44 . 1 1 5 5 ILE HB H 1 1.77 0.015 . 1 . . . . . . . . 5606 1 45 . 1 1 5 5 ILE HG12 H 1 1.53 0.015 . 1 . . . . . . . . 5606 1 46 . 1 1 5 5 ILE HG13 H 1 1.16 0.015 . 1 . . . . . . . . 5606 1 47 . 1 1 5 5 ILE HG21 H 1 1.07 0.015 . 1 . . . . . . . . 5606 1 48 . 1 1 5 5 ILE HG22 H 1 1.07 0.015 . 1 . . . . . . . . 5606 1 49 . 1 1 5 5 ILE HG23 H 1 1.07 0.015 . 1 . . . . . . . . 5606 1 50 . 1 1 5 5 ILE CD1 C 13 13.49 0.015 . 1 . . . . . . . . 5606 1 51 . 1 1 5 5 ILE HD11 H 1 1 0.015 . 1 . . . . . . . . 5606 1 52 . 1 1 5 5 ILE HD12 H 1 1 0.015 . 1 . . . . . . . . 5606 1 53 . 1 1 5 5 ILE HD13 H 1 1 0.015 . 1 . . . . . . . . 5606 1 54 . 1 1 5 5 ILE C C 13 176.2 0.015 . 1 . . . . . . . . 5606 1 55 . 1 1 6 6 ILE N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 56 . 1 1 6 6 ILE H H 1 8.01 0.015 . 1 . . . . . . . . 5606 1 57 . 1 1 6 6 ILE CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 58 . 1 1 6 6 ILE HA H 1 4.49 0.015 . 1 . . . . . . . . 5606 1 59 . 1 1 6 6 ILE CB C 13 38.64 0.015 . 1 . . . . . . . . 5606 1 60 . 1 1 6 6 ILE HB H 1 1.75 0.015 . 1 . . . . . . . . 5606 1 61 . 1 1 6 6 ILE CG1 C 13 29.43 0.015 . 1 . . . . . . . . 5606 1 62 . 1 1 6 6 ILE HG12 H 1 1.39 0.015 . 1 . . . . . . . . 5606 1 63 . 1 1 6 6 ILE HG13 H 1 1.26 0.015 . 1 . . . . . . . . 5606 1 64 . 1 1 6 6 ILE CG2 C 13 18.49 0.015 . 1 . . . . . . . . 5606 1 65 . 1 1 6 6 ILE HG21 H 1 1 0.015 . 1 . . . . . . . . 5606 1 66 . 1 1 6 6 ILE HG22 H 1 1 0.015 . 1 . . . . . . . . 5606 1 67 . 1 1 6 6 ILE HG23 H 1 1 0.015 . 1 . . . . . . . . 5606 1 68 . 1 1 6 6 ILE CD1 C 13 12.55 0.015 . 1 . . . . . . . . 5606 1 69 . 1 1 6 6 ILE HD11 H 1 0.81 0.015 . 1 . . . . . . . . 5606 1 70 . 1 1 6 6 ILE HD12 H 1 0.81 0.015 . 1 . . . . . . . . 5606 1 71 . 1 1 6 6 ILE HD13 H 1 0.81 0.015 . 1 . . . . . . . . 5606 1 72 . 1 1 6 6 ILE C C 13 176.1 0.015 . 1 . . . . . . . . 5606 1 73 . 1 1 7 7 HIS N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 74 . 1 1 7 7 HIS H H 1 8.45 0.015 . 1 . . . . . . . . 5606 1 75 . 1 1 7 7 HIS CA C 13 56.47 0.015 . 1 . . . . . . . . 5606 1 76 . 1 1 7 7 HIS HA H 1 5.29 0.015 . 1 . . . . . . . . 5606 1 77 . 1 1 7 7 HIS CB C 13 33.54 0.015 . 1 . . . . . . . . 5606 1 78 . 1 1 7 7 HIS HB2 H 1 3.02 0.015 . 1 . . . . . . . . 5606 1 79 . 1 1 7 7 HIS HB3 H 1 3.02 0.015 . 1 . . . . . . . . 5606 1 80 . 1 1 7 7 HIS C C 13 175.35 0.015 . 1 . . . . . . . . 5606 1 81 . 1 1 8 8 THR N N 15 121.86 0.015 . 1 . . . . . . . . 5606 1 82 . 1 1 8 8 THR H H 1 9.79 0.015 . 1 . . . . . . . . 5606 1 83 . 1 1 8 8 THR CA C 13 58.5 0.015 . 1 . . . . . . . . 5606 1 84 . 1 1 8 8 THR HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 85 . 1 1 8 8 THR CB C 13 69.71 0.015 . 1 . . . . . . . . 5606 1 86 . 1 1 8 8 THR HB H 1 3.95 0.015 . 1 . . . . . . . . 5606 1 87 . 1 1 8 8 THR CG2 C 13 20.37 0.015 . 1 . . . . . . . . 5606 1 88 . 1 1 8 8 THR HG21 H 1 1.08 0.015 . 1 . . . . . . . . 5606 1 89 . 1 1 8 8 THR HG22 H 1 1.08 0.015 . 1 . . . . . . . . 5606 1 90 . 1 1 8 8 THR HG23 H 1 1.08 0.015 . 1 . . . . . . . . 5606 1 91 . 1 1 9 9 GLU N N 15 128.35 0.015 . 1 . . . . . . . . 5606 1 92 . 1 1 9 9 GLU H H 1 9.28 0.015 . 1 . . . . . . . . 5606 1 93 . 1 1 9 9 GLU CA C 13 57.6 0.015 . 1 . . . . . . . . 5606 1 94 . 1 1 9 9 GLU HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 95 . 1 1 9 9 GLU CB C 13 28.9 0.015 . 1 . . . . . . . . 5606 1 96 . 1 1 10 10 LYS N N 15 119.26 0.015 . 1 . . . . . . . . 5606 1 97 . 1 1 10 10 LYS H H 1 8.48 0.015 . 1 . . . . . . . . 5606 1 98 . 1 1 10 10 LYS CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 99 . 1 1 10 10 LYS HA H 1 4.19 0.015 . 1 . . . . . . . . 5606 1 100 . 1 1 10 10 LYS CB C 13 32.45 0.015 . 1 . . . . . . . . 5606 1 101 . 1 1 10 10 LYS HB2 H 1 1.69 0.015 . 1 . . . . . . . . 5606 1 102 . 1 1 10 10 LYS HB3 H 1 2.22 0.015 . 1 . . . . . . . . 5606 1 103 . 1 1 10 10 LYS C C 13 174.8 0.015 . 1 . . . . . . . . 5606 1 104 . 1 1 11 11 ALA N N 15 119.8 0.015 . 1 . . . . . . . . 5606 1 105 . 1 1 11 11 ALA H H 1 7.55 0.015 . 1 . . . . . . . . 5606 1 106 . 1 1 11 11 ALA CA C 13 49.84 0.015 . 1 . . . . . . . . 5606 1 107 . 1 1 11 11 ALA HA H 1 4.72 0.015 . 1 . . . . . . . . 5606 1 108 . 1 1 11 11 ALA CB C 13 20.3 0.015 . 1 . . . . . . . . 5606 1 109 . 1 1 11 11 ALA HB1 H 1 1.37 0.015 . 1 . . . . . . . . 5606 1 110 . 1 1 11 11 ALA HB2 H 1 1.37 0.015 . 1 . . . . . . . . 5606 1 111 . 1 1 11 11 ALA HB3 H 1 1.37 0.015 . 1 . . . . . . . . 5606 1 112 . 1 1 12 12 PRO CA C 13 63.6 0.015 . 1 . . . . . . . . 5606 1 113 . 1 1 12 12 PRO HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 114 . 1 1 12 12 PRO CB C 13 31.51 0.015 . 1 . . . . . . . . 5606 1 115 . 1 1 12 12 PRO HB2 H 1 1.97 0.015 . 1 . . . . . . . . 5606 1 116 . 1 1 12 12 PRO HB3 H 1 2.3 0.015 . 1 . . . . . . . . 5606 1 117 . 1 1 12 12 PRO CD C 13 50.37 0.015 . 1 . . . . . . . . 5606 1 118 . 1 1 12 12 PRO HD2 H 1 3.7 0.015 . 1 . . . . . . . . 5606 1 119 . 1 1 12 12 PRO HD3 H 1 3.7 0.015 . 1 . . . . . . . . 5606 1 120 . 1 1 12 12 PRO C C 13 177.7 0.015 . 1 . . . . . . . . 5606 1 121 . 1 1 13 13 ALA N N 15 128.85 0.015 . 1 . . . . . . . . 5606 1 122 . 1 1 13 13 ALA H H 1 8.76 0.015 . 1 . . . . . . . . 5606 1 123 . 1 1 13 13 ALA CA C 13 52.9 0.015 . 1 . . . . . . . . 5606 1 124 . 1 1 13 13 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 125 . 1 1 13 13 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 126 . 1 1 13 13 ALA HB1 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 127 . 1 1 13 13 ALA HB2 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 128 . 1 1 13 13 ALA HB3 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 129 . 1 1 13 13 ALA C C 13 178.2 0.015 . 1 . . . . . . . . 5606 1 130 . 1 1 14 14 ALA N N 15 125.86 0.015 . 1 . . . . . . . . 5606 1 131 . 1 1 14 14 ALA H H 1 8.87 0.015 . 1 . . . . . . . . 5606 1 132 . 1 1 14 14 ALA CA C 13 52.39 0.015 . 1 . . . . . . . . 5606 1 133 . 1 1 14 14 ALA HA H 1 4.15 0.015 . 1 . . . . . . . . 5606 1 134 . 1 1 14 14 ALA CB C 13 18.26 0.015 . 1 . . . . . . . . 5606 1 135 . 1 1 14 14 ALA HB1 H 1 0.75 0.015 . 1 . . . . . . . . 5606 1 136 . 1 1 14 14 ALA HB2 H 1 0.75 0.015 . 1 . . . . . . . . 5606 1 137 . 1 1 14 14 ALA HB3 H 1 0.75 0.015 . 1 . . . . . . . . 5606 1 138 . 1 1 14 14 ALA C C 13 177.1 0.015 . 1 . . . . . . . . 5606 1 139 . 1 1 15 15 ILE N N 15 122.86 0.015 . 1 . . . . . . . . 5606 1 140 . 1 1 15 15 ILE H H 1 7.43 0.015 . 1 . . . . . . . . 5606 1 141 . 1 1 15 15 ILE CA C 13 60.54 0.015 . 1 . . . . . . . . 5606 1 142 . 1 1 15 15 ILE HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 143 . 1 1 15 15 ILE CB C 13 37.62 0.015 . 1 . . . . . . . . 5606 1 144 . 1 1 15 15 ILE HB H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 145 . 1 1 15 15 ILE HG12 H 1 1.52 0.015 . 1 . . . . . . . . 5606 1 146 . 1 1 15 15 ILE HG13 H 1 1.25 0.015 . 1 . . . . . . . . 5606 1 147 . 1 1 15 15 ILE CG2 C 13 17.87 0.015 . 1 . . . . . . . . 5606 1 148 . 1 1 15 15 ILE HG21 H 1 0.97 0.015 . 1 . . . . . . . . 5606 1 149 . 1 1 15 15 ILE HG22 H 1 0.97 0.015 . 1 . . . . . . . . 5606 1 150 . 1 1 15 15 ILE HG23 H 1 0.97 0.015 . 1 . . . . . . . . 5606 1 151 . 1 1 15 15 ILE CD1 C 13 13.18 0.015 . 1 . . . . . . . . 5606 1 152 . 1 1 15 15 ILE HD11 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 153 . 1 1 15 15 ILE HD12 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 154 . 1 1 15 15 ILE HD13 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 155 . 1 1 15 15 ILE C C 13 176.25 0.015 . 1 . . . . . . . . 5606 1 156 . 1 1 16 16 GLY N N 15 112.86 0.015 . 1 . . . . . . . . 5606 1 157 . 1 1 16 16 GLY H H 1 7.65 0.015 . 1 . . . . . . . . 5606 1 158 . 1 1 16 16 GLY CA C 13 43.73 0.015 . 1 . . . . . . . . 5606 1 159 . 1 1 17 17 PRO CA C 13 61.36 0.015 . 1 . . . . . . . . 5606 1 160 . 1 1 17 17 PRO HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 161 . 1 1 17 17 PRO CB C 13 28.76 0.015 . 1 . . . . . . . . 5606 1 162 . 1 1 17 17 PRO HB2 H 1 1.88 0.015 . 1 . . . . . . . . 5606 1 163 . 1 1 17 17 PRO HB3 H 1 1.88 0.015 . 1 . . . . . . . . 5606 1 164 . 1 1 17 17 PRO CD C 13 48.8 0.015 . 1 . . . . . . . . 5606 1 165 . 1 1 17 17 PRO HD2 H 1 3.5 0.015 . 1 . . . . . . . . 5606 1 166 . 1 1 17 17 PRO HD3 H 1 3.37 0.015 . 1 . . . . . . . . 5606 1 167 . 1 1 17 17 PRO C C 13 174.75 0.015 . 1 . . . . . . . . 5606 1 168 . 1 1 18 18 TYR N N 15 120.3 0.015 . 1 . . . . . . . . 5606 1 169 . 1 1 18 18 TYR H H 1 8.35 0.015 . 1 . . . . . . . . 5606 1 170 . 1 1 18 18 TYR CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 171 . 1 1 18 18 TYR HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 172 . 1 1 18 18 TYR CB C 13 40.17 0.015 . 1 . . . . . . . . 5606 1 173 . 1 1 18 18 TYR HB2 H 1 2.95 0.015 . 1 . . . . . . . . 5606 1 174 . 1 1 18 18 TYR HB3 H 1 2.95 0.015 . 1 . . . . . . . . 5606 1 175 . 1 1 18 18 TYR HD1 H 1 6.9 0.015 . 1 . . . . . . . . 5606 1 176 . 1 1 18 18 TYR HD2 H 1 6.9 0.015 . 1 . . . . . . . . 5606 1 177 . 1 1 18 18 TYR HE1 H 1 6.71 0.015 . 1 . . . . . . . . 5606 1 178 . 1 1 18 18 TYR HE2 H 1 6.71 0.015 . 1 . . . . . . . . 5606 1 179 . 1 1 18 18 TYR C C 13 173.6 0.015 . 1 . . . . . . . . 5606 1 180 . 1 1 19 19 VAL N N 15 107.37 0.015 . 1 . . . . . . . . 5606 1 181 . 1 1 19 19 VAL H H 1 6.57 0.015 . 1 . . . . . . . . 5606 1 182 . 1 1 19 19 VAL CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 183 . 1 1 19 19 VAL HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 184 . 1 1 19 19 VAL CB C 13 35.07 0.015 . 1 . . . . . . . . 5606 1 185 . 1 1 19 19 VAL HB H 1 2.49 0.015 . 1 . . . . . . . . 5606 1 186 . 1 1 19 19 VAL HG11 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 187 . 1 1 19 19 VAL HG12 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 188 . 1 1 19 19 VAL HG13 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 189 . 1 1 19 19 VAL CG2 C 13 17.55 0.015 . 1 . . . . . . . . 5606 1 190 . 1 1 19 19 VAL HG21 H 1 0.78 0.015 . 1 . . . . . . . . 5606 1 191 . 1 1 19 19 VAL HG22 H 1 0.78 0.015 . 1 . . . . . . . . 5606 1 192 . 1 1 19 19 VAL HG23 H 1 0.78 0.015 . 1 . . . . . . . . 5606 1 193 . 1 1 19 19 VAL C C 13 177.15 0.015 . 1 . . . . . . . . 5606 1 194 . 1 1 20 20 GLN N N 15 122.5 0.015 . 1 . . . . . . . . 5606 1 195 . 1 1 20 20 GLN H H 1 10.1 0.015 . 1 . . . . . . . . 5606 1 196 . 1 1 20 20 GLN CA C 13 60.7 0.015 . 1 . . . . . . . . 5606 1 197 . 1 1 20 20 GLN HA H 1 4.29 0.015 . 1 . . . . . . . . 5606 1 198 . 1 1 20 20 GLN CB C 13 28.1 0.015 . 1 . . . . . . . . 5606 1 199 . 1 1 20 20 GLN HB2 H 1 2.75 0.015 . 1 . . . . . . . . 5606 1 200 . 1 1 20 20 GLN HB3 H 1 2.75 0.015 . 1 . . . . . . . . 5606 1 201 . 1 1 20 20 GLN HE21 H 1 6.9 0.015 . 1 . . . . . . . . 5606 1 202 . 1 1 20 20 GLN HE22 H 1 7.62 0.015 . 1 . . . . . . . . 5606 1 203 . 1 1 20 20 GLN C C 13 177.85 0.015 . 1 . . . . . . . . 5606 1 204 . 1 1 21 21 ALA N N 15 110.86 0.015 . 1 . . . . . . . . 5606 1 205 . 1 1 21 21 ALA H H 1 7.45 0.015 . 1 . . . . . . . . 5606 1 206 . 1 1 21 21 ALA CA C 13 51.58 0.015 . 1 . . . . . . . . 5606 1 207 . 1 1 21 21 ALA HA H 1 4.95 0.015 . 1 . . . . . . . . 5606 1 208 . 1 1 21 21 ALA CB C 13 23.54 0.015 . 1 . . . . . . . . 5606 1 209 . 1 1 21 21 ALA HB1 H 1 1.35 0.015 . 1 . . . . . . . . 5606 1 210 . 1 1 21 21 ALA HB2 H 1 1.35 0.015 . 1 . . . . . . . . 5606 1 211 . 1 1 21 21 ALA HB3 H 1 1.35 0.015 . 1 . . . . . . . . 5606 1 212 . 1 1 21 21 ALA C C 13 175.7 0.015 . 1 . . . . . . . . 5606 1 213 . 1 1 22 22 VAL N N 15 113.36 0.015 . 1 . . . . . . . . 5606 1 214 . 1 1 22 22 VAL H H 1 8.52 0.015 . 1 . . . . . . . . 5606 1 215 . 1 1 22 22 VAL CA C 13 60.03 0.015 . 1 . . . . . . . . 5606 1 216 . 1 1 22 22 VAL HA H 1 5.02 0.015 . 1 . . . . . . . . 5606 1 217 . 1 1 22 22 VAL CB C 13 35.07 0.015 . 1 . . . . . . . . 5606 1 218 . 1 1 22 22 VAL HB H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 219 . 1 1 22 22 VAL CG1 C 13 21.62 0.015 . 1 . . . . . . . . 5606 1 220 . 1 1 22 22 VAL HG11 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 221 . 1 1 22 22 VAL HG12 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 222 . 1 1 22 22 VAL HG13 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 223 . 1 1 22 22 VAL C C 13 175.15 0.015 . 1 . . . . . . . . 5606 1 224 . 1 1 23 23 ASP N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 225 . 1 1 23 23 ASP H H 1 9.31 0.015 . 1 . . . . . . . . 5606 1 226 . 1 1 23 23 ASP CA C 13 52.9 0.015 . 1 . . . . . . . . 5606 1 227 . 1 1 23 23 ASP HA H 1 5.09 0.015 . 1 . . . . . . . . 5606 1 228 . 1 1 23 23 ASP CB C 13 42.71 0.015 . 1 . . . . . . . . 5606 1 229 . 1 1 23 23 ASP HB2 H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 230 . 1 1 23 23 ASP HB3 H 1 3.15 0.015 . 1 . . . . . . . . 5606 1 231 . 1 1 23 23 ASP C C 13 176.8 0.015 . 1 . . . . . . . . 5606 1 232 . 1 1 24 24 LEU N N 15 124.36 0.015 . 1 . . . . . . . . 5606 1 233 . 1 1 24 24 LEU H H 1 9.26 0.015 . 1 . . . . . . . . 5606 1 234 . 1 1 24 24 LEU CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 235 . 1 1 24 24 LEU HA H 1 4.95 0.015 . 1 . . . . . . . . 5606 1 236 . 1 1 24 24 LEU CB C 13 42.2 0.015 . 1 . . . . . . . . 5606 1 237 . 1 1 24 24 LEU HB2 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 238 . 1 1 24 24 LEU HB3 H 1 2.04 0.015 . 1 . . . . . . . . 5606 1 239 . 1 1 24 24 LEU HG H 1 1.85 0.015 . 1 . . . . . . . . 5606 1 240 . 1 1 24 24 LEU HD11 H 1 1.15 0.015 . 1 . . . . . . . . 5606 1 241 . 1 1 24 24 LEU HD12 H 1 1.15 0.015 . 1 . . . . . . . . 5606 1 242 . 1 1 24 24 LEU HD13 H 1 1.15 0.015 . 1 . . . . . . . . 5606 1 243 . 1 1 24 24 LEU CD2 C 13 24.74 0.015 . 1 . . . . . . . . 5606 1 244 . 1 1 24 24 LEU HD21 H 1 0.98 0.015 . 1 . . . . . . . . 5606 1 245 . 1 1 24 24 LEU HD22 H 1 0.98 0.015 . 1 . . . . . . . . 5606 1 246 . 1 1 24 24 LEU HD23 H 1 0.98 0.015 . 1 . . . . . . . . 5606 1 247 . 1 1 24 24 LEU C C 13 178.3 0.015 . 1 . . . . . . . . 5606 1 248 . 1 1 25 25 GLY N N 15 112.86 0.015 . 1 . . . . . . . . 5606 1 249 . 1 1 25 25 GLY H H 1 9.17 0.015 . 1 . . . . . . . . 5606 1 250 . 1 1 25 25 GLY CA C 13 46.28 0.015 . 1 . . . . . . . . 5606 1 251 . 1 1 25 25 GLY HA2 H 1 4.8 0.015 . 1 . . . . . . . . 5606 1 252 . 1 1 25 25 GLY HA3 H 1 3.45 0.015 . 1 . . . . . . . . 5606 1 253 . 1 1 26 26 ASN CA C 13 54.5 0.015 . 1 . . . . . . . . 5606 1 254 . 1 1 26 26 ASN HA H 1 5.09 0.015 . 1 . . . . . . . . 5606 1 255 . 1 1 26 26 ASN CB C 13 39 0.015 . 1 . . . . . . . . 5606 1 256 . 1 1 26 26 ASN HB2 H 1 3.07 0.015 . 1 . . . . . . . . 5606 1 257 . 1 1 26 26 ASN HB3 H 1 3.4 0.015 . 1 . . . . . . . . 5606 1 258 . 1 1 26 26 ASN C C 13 175.7 0.015 . 1 . . . . . . . . 5606 1 259 . 1 1 27 27 LEU N N 15 117.86 0.015 . 1 . . . . . . . . 5606 1 260 . 1 1 27 27 LEU H H 1 7.21 0.015 . 1 . . . . . . . . 5606 1 261 . 1 1 27 27 LEU CA C 13 53.92 0.015 . 1 . . . . . . . . 5606 1 262 . 1 1 27 27 LEU HA H 1 5.29 0.015 . 1 . . . . . . . . 5606 1 263 . 1 1 27 27 LEU CB C 13 47.81 0.015 . 1 . . . . . . . . 5606 1 264 . 1 1 27 27 LEU HB2 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 265 . 1 1 27 27 LEU HB3 H 1 1.35 0.015 . 1 . . . . . . . . 5606 1 266 . 1 1 27 27 LEU C C 13 176.2 0.015 . 1 . . . . . . . . 5606 1 267 . 1 1 28 28 VAL N N 15 120.86 0.015 . 1 . . . . . . . . 5606 1 268 . 1 1 28 28 VAL H H 1 9.01 0.015 . 1 . . . . . . . . 5606 1 269 . 1 1 28 28 VAL CA C 13 61.56 0.015 . 1 . . . . . . . . 5606 1 270 . 1 1 28 28 VAL HA H 1 4.95 0.015 . 1 . . . . . . . . 5606 1 271 . 1 1 28 28 VAL CB C 13 35.07 0.015 . 1 . . . . . . . . 5606 1 272 . 1 1 28 28 VAL HB H 1 1.7 0.015 . 1 . . . . . . . . 5606 1 273 . 1 1 28 28 VAL CG1 C 13 21.2 0.015 . 1 . . . . . . . . 5606 1 274 . 1 1 28 28 VAL HG11 H 1 0.86 0.015 . 1 . . . . . . . . 5606 1 275 . 1 1 28 28 VAL HG12 H 1 0.86 0.015 . 1 . . . . . . . . 5606 1 276 . 1 1 28 28 VAL HG13 H 1 0.86 0.015 . 1 . . . . . . . . 5606 1 277 . 1 1 28 28 VAL CG2 C 13 20.99 0.015 . 1 . . . . . . . . 5606 1 278 . 1 1 28 28 VAL HG21 H 1 0.72 0.015 . 1 . . . . . . . . 5606 1 279 . 1 1 28 28 VAL HG22 H 1 0.72 0.015 . 1 . . . . . . . . 5606 1 280 . 1 1 28 28 VAL HG23 H 1 0.72 0.015 . 1 . . . . . . . . 5606 1 281 . 1 1 29 29 LEU N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 282 . 1 1 29 29 LEU H H 1 8.67 0.015 . 1 . . . . . . . . 5606 1 283 . 1 1 29 29 LEU CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 284 . 1 1 29 29 LEU HA H 1 5.15 0.015 . 1 . . . . . . . . 5606 1 285 . 1 1 29 29 LEU CB C 13 42.71 0.015 . 1 . . . . . . . . 5606 1 286 . 1 1 29 29 LEU HB2 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 287 . 1 1 29 29 LEU HB3 H 1 1.57 0.015 . 1 . . . . . . . . 5606 1 288 . 1 1 29 29 LEU CD1 C 13 26.61 0.015 . 1 . . . . . . . . 5606 1 289 . 1 1 29 29 LEU HD11 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 290 . 1 1 29 29 LEU HD12 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 291 . 1 1 29 29 LEU HD13 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 292 . 1 1 29 29 LEU CD2 C 13 25.36 0.015 . 1 . . . . . . . . 5606 1 293 . 1 1 29 29 LEU HD21 H 1 0.85 0.015 . 1 . . . . . . . . 5606 1 294 . 1 1 29 29 LEU HD22 H 1 0.85 0.015 . 1 . . . . . . . . 5606 1 295 . 1 1 29 29 LEU HD23 H 1 0.85 0.015 . 1 . . . . . . . . 5606 1 296 . 1 1 29 29 LEU C C 13 179.9 0.015 . 1 . . . . . . . . 5606 1 297 . 1 1 30 30 THR N N 15 110.86 0.015 . 1 . . . . . . . . 5606 1 298 . 1 1 30 30 THR H H 1 8.6 0.015 . 1 . . . . . . . . 5606 1 299 . 1 1 30 30 THR CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 300 . 1 1 30 30 THR HA H 1 5.15 0.015 . 1 . . . . . . . . 5606 1 301 . 1 1 30 30 THR CB C 13 71.75 0.015 . 1 . . . . . . . . 5606 1 302 . 1 1 30 30 THR HB H 1 4.95 0.015 . 1 . . . . . . . . 5606 1 303 . 1 1 30 30 THR CG2 C 13 21.5 0.015 . 1 . . . . . . . . 5606 1 304 . 1 1 30 30 THR HG21 H 1 1.28 0.015 . 1 . . . . . . . . 5606 1 305 . 1 1 30 30 THR HG22 H 1 1.28 0.015 . 1 . . . . . . . . 5606 1 306 . 1 1 30 30 THR HG23 H 1 1.28 0.015 . 1 . . . . . . . . 5606 1 307 . 1 1 30 30 THR C C 13 177.1 0.015 . 1 . . . . . . . . 5606 1 308 . 1 1 31 31 SER N N 15 117.36 0.015 . 1 . . . . . . . . 5606 1 309 . 1 1 31 31 SER H H 1 8.87 0.015 . 1 . . . . . . . . 5606 1 310 . 1 1 31 31 SER CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 311 . 1 1 31 31 SER HA H 1 4.62 0.015 . 1 . . . . . . . . 5606 1 312 . 1 1 31 31 SER CB C 13 65.13 0.015 . 1 . . . . . . . . 5606 1 313 . 1 1 31 31 SER HB2 H 1 4.44 0.015 . 1 . . . . . . . . 5606 1 314 . 1 1 31 31 SER HB3 H 1 4.44 0.015 . 1 . . . . . . . . 5606 1 315 . 1 1 31 31 SER C C 13 177.8 0.015 . 1 . . . . . . . . 5606 1 316 . 1 1 32 32 GLY N N 15 116.75 0.015 . 1 . . . . . . . . 5606 1 317 . 1 1 32 32 GLY H H 1 8.77 0.015 . 1 . . . . . . . . 5606 1 318 . 1 1 32 32 GLY CA C 13 47.3 0.015 . 1 . . . . . . . . 5606 1 319 . 1 1 32 32 GLY HA2 H 1 3.88 0.015 . 1 . . . . . . . . 5606 1 320 . 1 1 32 32 GLY HA3 H 1 4.19 0.015 . 1 . . . . . . . . 5606 1 321 . 1 1 32 32 GLY C C 13 174.3 0.015 . 1 . . . . . . . . 5606 1 322 . 1 1 33 33 GLN N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 323 . 1 1 33 33 GLN H H 1 9.31 0.015 . 1 . . . . . . . . 5606 1 324 . 1 1 33 33 GLN CA C 13 54.18 0.015 . 1 . . . . . . . . 5606 1 325 . 1 1 33 33 GLN HA H 1 4.79 0.015 . 1 . . . . . . . . 5606 1 326 . 1 1 33 33 GLN CB C 13 30.71 0.015 . 1 . . . . . . . . 5606 1 327 . 1 1 33 33 GLN HB2 H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 328 . 1 1 33 33 GLN HB3 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 329 . 1 1 33 33 GLN HE21 H 1 6.96 0.015 . 1 . . . . . . . . 5606 1 330 . 1 1 33 33 GLN HE22 H 1 7.43 0.015 . 1 . . . . . . . . 5606 1 331 . 1 1 33 33 GLN C C 13 177.35 0.015 . 1 . . . . . . . . 5606 1 332 . 1 1 34 34 ILE N N 15 120 0.015 . 1 . . . . . . . . 5606 1 333 . 1 1 34 34 ILE H H 1 8.98 0.015 . 1 . . . . . . . . 5606 1 334 . 1 1 34 34 ILE CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 335 . 1 1 34 34 ILE HA H 1 4.07 0.015 . 1 . . . . . . . . 5606 1 336 . 1 1 34 34 ILE CB C 13 39.15 0.015 . 1 . . . . . . . . 5606 1 337 . 1 1 34 34 ILE HG12 H 1 1.44 0.015 . 1 . . . . . . . . 5606 1 338 . 1 1 34 34 ILE HG13 H 1 1.39 0.015 . 1 . . . . . . . . 5606 1 339 . 1 1 34 34 ILE CD1 C 13 15 0.015 . 1 . . . . . . . . 5606 1 340 . 1 1 34 34 ILE HD11 H 1 0.82 0.015 . 1 . . . . . . . . 5606 1 341 . 1 1 34 34 ILE HD12 H 1 0.82 0.015 . 1 . . . . . . . . 5606 1 342 . 1 1 34 34 ILE HD13 H 1 0.82 0.015 . 1 . . . . . . . . 5606 1 343 . 1 1 35 35 PRO CA C 13 63.6 0.015 . 1 . . . . . . . . 5606 1 344 . 1 1 35 35 PRO HA H 1 4.29 0.015 . 1 . . . . . . . . 5606 1 345 . 1 1 35 35 PRO CB C 13 29.47 0.015 . 1 . . . . . . . . 5606 1 346 . 1 1 35 35 PRO HB2 H 1 2.6 0.015 . 1 . . . . . . . . 5606 1 347 . 1 1 35 35 PRO HB3 H 1 2.6 0.015 . 1 . . . . . . . . 5606 1 348 . 1 1 35 35 PRO CD C 13 51.3 0.015 . 1 . . . . . . . . 5606 1 349 . 1 1 35 35 PRO HD2 H 1 3.74 0.015 . 1 . . . . . . . . 5606 1 350 . 1 1 35 35 PRO HD3 H 1 3.97 0.015 . 1 . . . . . . . . 5606 1 351 . 1 1 35 35 PRO C C 13 174.8 0.015 . 1 . . . . . . . . 5606 1 352 . 1 1 36 36 VAL N N 15 121 0.015 . 1 . . . . . . . . 5606 1 353 . 1 1 36 36 VAL H H 1 7.62 0.015 . 1 . . . . . . . . 5606 1 354 . 1 1 36 36 VAL CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 355 . 1 1 36 36 VAL HA H 1 3.99 0.015 . 1 . . . . . . . . 5606 1 356 . 1 1 36 36 VAL CB C 13 34.56 0.015 . 1 . . . . . . . . 5606 1 357 . 1 1 36 36 VAL HB H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 358 . 1 1 36 36 VAL CG1 C 13 20.99 0.015 . 1 . . . . . . . . 5606 1 359 . 1 1 36 36 VAL HG11 H 1 0.75 0.015 . 1 . . . . . . . . 5606 1 360 . 1 1 36 36 VAL HG12 H 1 0.75 0.015 . 1 . . . . . . . . 5606 1 361 . 1 1 36 36 VAL HG13 H 1 0.75 0.015 . 1 . . . . . . . . 5606 1 362 . 1 1 36 36 VAL CG2 C 13 22.24 0.015 . 1 . . . . . . . . 5606 1 363 . 1 1 36 36 VAL HG21 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 364 . 1 1 36 36 VAL HG22 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 365 . 1 1 36 36 VAL HG23 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 366 . 1 1 36 36 VAL C C 13 176.85 0.015 . 1 . . . . . . . . 5606 1 367 . 1 1 37 37 ASN N N 15 127.36 0.015 . 1 . . . . . . . . 5606 1 368 . 1 1 37 37 ASN H H 1 8.67 0.015 . 1 . . . . . . . . 5606 1 369 . 1 1 37 37 ASN CA C 13 50.86 0.015 . 1 . . . . . . . . 5606 1 370 . 1 1 37 37 ASN HA H 1 4.79 0.015 . 1 . . . . . . . . 5606 1 371 . 1 1 37 37 ASN CB C 13 39.66 0.015 . 1 . . . . . . . . 5606 1 372 . 1 1 37 37 ASN HB2 H 1 3.35 0.015 . 1 . . . . . . . . 5606 1 373 . 1 1 37 37 ASN HB3 H 1 2.7 0.015 . 1 . . . . . . . . 5606 1 374 . 1 1 37 37 ASN HD21 H 1 7.35 0.015 . 1 . . . . . . . . 5606 1 375 . 1 1 37 37 ASN HD22 H 1 7.75 0.015 . 1 . . . . . . . . 5606 1 376 . 1 1 37 37 ASN ND2 N 15 113.8 0.015 . 1 . . . . . . . . 5606 1 377 . 1 1 38 38 PRO CA C 13 64.7 0.015 . 1 . . . . . . . . 5606 1 378 . 1 1 38 38 PRO HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 379 . 1 1 38 38 PRO CB C 13 31.9 0.015 . 1 . . . . . . . . 5606 1 380 . 1 1 38 38 PRO HB2 H 1 2.24 0.015 . 1 . . . . . . . . 5606 1 381 . 1 1 38 38 PRO HB3 H 1 1.91 0.015 . 1 . . . . . . . . 5606 1 382 . 1 1 38 38 PRO CD C 13 50 0.015 . 1 . . . . . . . . 5606 1 383 . 1 1 38 38 PRO HD2 H 1 3.64 0.015 . 1 . . . . . . . . 5606 1 384 . 1 1 38 38 PRO HD3 H 1 3.6 0.015 . 1 . . . . . . . . 5606 1 385 . 1 1 38 38 PRO C C 13 176.85 0.015 . 1 . . . . . . . . 5606 1 386 . 1 1 39 39 ALA N N 15 119.05 0.015 . 1 . . . . . . . . 5606 1 387 . 1 1 39 39 ALA H H 1 8.02 0.015 . 1 . . . . . . . . 5606 1 388 . 1 1 39 39 ALA CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 389 . 1 1 39 39 ALA HA H 1 4.42 0.015 . 1 . . . . . . . . 5606 1 390 . 1 1 39 39 ALA CB C 13 19.5 0.015 . 1 . . . . . . . . 5606 1 391 . 1 1 39 39 ALA HB1 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 392 . 1 1 39 39 ALA HB2 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 393 . 1 1 39 39 ALA HB3 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 394 . 1 1 39 39 ALA C C 13 179.3 0.015 . 1 . . . . . . . . 5606 1 395 . 1 1 40 40 THR N N 15 103.87 0.015 . 1 . . . . . . . . 5606 1 396 . 1 1 40 40 THR H H 1 7.4 0.015 . 1 . . . . . . . . 5606 1 397 . 1 1 40 40 THR CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 398 . 1 1 40 40 THR HA H 1 4.6 0.015 . 1 . . . . . . . . 5606 1 399 . 1 1 40 40 THR CB C 13 71.75 0.015 . 1 . . . . . . . . 5606 1 400 . 1 1 40 40 THR HB H 1 4.42 0.015 . 1 . . . . . . . . 5606 1 401 . 1 1 40 40 THR HG21 H 1 1.19 0.015 . 1 . . . . . . . . 5606 1 402 . 1 1 40 40 THR HG22 H 1 1.19 0.015 . 1 . . . . . . . . 5606 1 403 . 1 1 40 40 THR HG23 H 1 1.19 0.015 . 1 . . . . . . . . 5606 1 404 . 1 1 40 40 THR C C 13 177.2 0.015 . 1 . . . . . . . . 5606 1 405 . 1 1 41 41 GLY N N 15 111.36 0.015 . 1 . . . . . . . . 5606 1 406 . 1 1 41 41 GLY H H 1 8.77 0.015 . 1 . . . . . . . . 5606 1 407 . 1 1 41 41 GLY CA C 13 45.77 0.015 . 1 . . . . . . . . 5606 1 408 . 1 1 41 41 GLY HA2 H 1 3.62 0.015 . 1 . . . . . . . . 5606 1 409 . 1 1 41 41 GLY HA3 H 1 3.62 0.015 . 1 . . . . . . . . 5606 1 410 . 1 1 41 41 GLY C C 13 175.3 0.015 . 1 . . . . . . . . 5606 1 411 . 1 1 42 42 GLU N N 15 119.1 0.015 . 1 . . . . . . . . 5606 1 412 . 1 1 42 42 GLU H H 1 7.84 0.015 . 1 . . . . . . . . 5606 1 413 . 1 1 42 42 GLU CA C 13 55.96 0.015 . 1 . . . . . . . . 5606 1 414 . 1 1 42 42 GLU HA H 1 4.49 0.015 . 1 . . . . . . . . 5606 1 415 . 1 1 42 42 GLU CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 416 . 1 1 42 42 GLU HB2 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 417 . 1 1 42 42 GLU HB3 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 418 . 1 1 42 42 GLU CG C 13 36.3 0.015 . 1 . . . . . . . . 5606 1 419 . 1 1 42 42 GLU HG2 H 1 2.26 0.015 . 1 . . . . . . . . 5606 1 420 . 1 1 42 42 GLU HG3 H 1 2.17 0.015 . 1 . . . . . . . . 5606 1 421 . 1 1 42 42 GLU C C 13 176.6 0.015 . 1 . . . . . . . . 5606 1 422 . 1 1 43 43 VAL N N 15 124.36 0.015 . 1 . . . . . . . . 5606 1 423 . 1 1 43 43 VAL H H 1 8.54 0.015 . 1 . . . . . . . . 5606 1 424 . 1 1 43 43 VAL CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 425 . 1 1 43 43 VAL HA H 1 5.09 0.015 . 1 . . . . . . . . 5606 1 426 . 1 1 43 43 VAL CB C 13 34.56 0.015 . 1 . . . . . . . . 5606 1 427 . 1 1 43 43 VAL HB H 1 1.99 0.015 . 1 . . . . . . . . 5606 1 428 . 1 1 43 43 VAL CG1 C 13 20.37 0.015 . 1 . . . . . . . . 5606 1 429 . 1 1 43 43 VAL HG11 H 1 1.04 0.015 . 1 . . . . . . . . 5606 1 430 . 1 1 43 43 VAL HG12 H 1 1.04 0.015 . 1 . . . . . . . . 5606 1 431 . 1 1 43 43 VAL HG13 H 1 1.04 0.015 . 1 . . . . . . . . 5606 1 432 . 1 1 43 43 VAL HG21 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 433 . 1 1 43 43 VAL HG22 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 434 . 1 1 43 43 VAL HG23 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 435 . 1 1 44 44 PRO CA C 13 63.09 0.015 . 1 . . . . . . . . 5606 1 436 . 1 1 44 44 PRO HA H 1 4.57 0.015 . 1 . . . . . . . . 5606 1 437 . 1 1 44 44 PRO CB C 13 32.52 0.015 . 1 . . . . . . . . 5606 1 438 . 1 1 44 44 PRO HB2 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 439 . 1 1 44 44 PRO HB3 H 1 2.42 0.015 . 1 . . . . . . . . 5606 1 440 . 1 1 44 44 PRO CD C 13 51.3 0.015 . 1 . . . . . . . . 5606 1 441 . 1 1 44 44 PRO HD2 H 1 4 0.015 . 1 . . . . . . . . 5606 1 442 . 1 1 44 44 PRO HD3 H 1 4 0.015 . 1 . . . . . . . . 5606 1 443 . 1 1 44 44 PRO C C 13 177.3 0.015 . 1 . . . . . . . . 5606 1 444 . 1 1 45 45 ALA N N 15 122.2 0.015 . 1 . . . . . . . . 5606 1 445 . 1 1 45 45 ALA H H 1 8.35 0.015 . 1 . . . . . . . . 5606 1 446 . 1 1 45 45 ALA CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 447 . 1 1 45 45 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 448 . 1 1 45 45 ALA HB1 H 1 1.54 0.015 . 1 . . . . . . . . 5606 1 449 . 1 1 45 45 ALA HB2 H 1 1.54 0.015 . 1 . . . . . . . . 5606 1 450 . 1 1 45 45 ALA HB3 H 1 1.54 0.015 . 1 . . . . . . . . 5606 1 451 . 1 1 45 45 ALA C C 13 178.8 0.015 . 1 . . . . . . . . 5606 1 452 . 1 1 46 46 ASP N N 15 115.86 0.015 . 1 . . . . . . . . 5606 1 453 . 1 1 46 46 ASP H H 1 7.91 0.015 . 1 . . . . . . . . 5606 1 454 . 1 1 46 46 ASP CA C 13 53.92 0.015 . 1 . . . . . . . . 5606 1 455 . 1 1 46 46 ASP HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 456 . 1 1 46 46 ASP CB C 13 43.73 0.015 . 1 . . . . . . . . 5606 1 457 . 1 1 46 46 ASP HB2 H 1 2.72 0.015 . 1 . . . . . . . . 5606 1 458 . 1 1 46 46 ASP HB3 H 1 2.85 0.015 . 1 . . . . . . . . 5606 1 459 . 1 1 46 46 ASP C C 13 178.1 0.015 . 1 . . . . . . . . 5606 1 460 . 1 1 47 47 ILE N N 15 125.86 0.015 . 1 . . . . . . . . 5606 1 461 . 1 1 47 47 ILE H H 1 8.92 0.015 . 1 . . . . . . . . 5606 1 462 . 1 1 47 47 ILE CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 463 . 1 1 47 47 ILE HA H 1 4.09 0.015 . 1 . . . . . . . . 5606 1 464 . 1 1 47 47 ILE CB C 13 38.64 0.015 . 1 . . . . . . . . 5606 1 465 . 1 1 47 47 ILE HB H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 466 . 1 1 47 47 ILE CG1 C 13 26.93 0.015 . 1 . . . . . . . . 5606 1 467 . 1 1 47 47 ILE HG12 H 1 1.52 0.015 . 1 . . . . . . . . 5606 1 468 . 1 1 47 47 ILE HG13 H 1 1.26 0.015 . 1 . . . . . . . . 5606 1 469 . 1 1 47 47 ILE HG21 H 1 0.97 0.015 . 1 . . . . . . . . 5606 1 470 . 1 1 47 47 ILE HG22 H 1 0.97 0.015 . 1 . . . . . . . . 5606 1 471 . 1 1 47 47 ILE HG23 H 1 0.97 0.015 . 1 . . . . . . . . 5606 1 472 . 1 1 47 47 ILE CD1 C 13 14.43 0.015 . 1 . . . . . . . . 5606 1 473 . 1 1 47 47 ILE HD11 H 1 0.93 0.015 . 1 . . . . . . . . 5606 1 474 . 1 1 47 47 ILE HD12 H 1 0.93 0.015 . 1 . . . . . . . . 5606 1 475 . 1 1 47 47 ILE HD13 H 1 0.93 0.015 . 1 . . . . . . . . 5606 1 476 . 1 1 47 47 ILE C C 13 176.9 0.015 . 1 . . . . . . . . 5606 1 477 . 1 1 48 48 VAL N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 478 . 1 1 48 48 VAL H H 1 8.04 0.015 . 1 . . . . . . . . 5606 1 479 . 1 1 48 48 VAL CA C 13 68.18 0.015 . 1 . . . . . . . . 5606 1 480 . 1 1 48 48 VAL HA H 1 3.44 0.015 . 1 . . . . . . . . 5606 1 481 . 1 1 48 48 VAL CB C 13 31 0.015 . 1 . . . . . . . . 5606 1 482 . 1 1 48 48 VAL HB H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 483 . 1 1 48 48 VAL CG1 C 13 21.3 0.015 . 1 . . . . . . . . 5606 1 484 . 1 1 48 48 VAL HG11 H 1 0.95 0.015 . 1 . . . . . . . . 5606 1 485 . 1 1 48 48 VAL HG12 H 1 0.95 0.015 . 1 . . . . . . . . 5606 1 486 . 1 1 48 48 VAL HG13 H 1 0.95 0.015 . 1 . . . . . . . . 5606 1 487 . 1 1 48 48 VAL CG2 C 13 24.37 0.015 . 1 . . . . . . . . 5606 1 488 . 1 1 48 48 VAL HG21 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 489 . 1 1 48 48 VAL HG22 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 490 . 1 1 48 48 VAL HG23 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 491 . 1 1 48 48 VAL C C 13 178.2 0.015 . 1 . . . . . . . . 5606 1 492 . 1 1 49 49 ALA N N 15 122 0.015 . 1 . . . . . . . . 5606 1 493 . 1 1 49 49 ALA H H 1 7.62 0.015 . 1 . . . . . . . . 5606 1 494 . 1 1 49 49 ALA CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 495 . 1 1 49 49 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 496 . 1 1 49 49 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 497 . 1 1 49 49 ALA HB1 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 498 . 1 1 49 49 ALA HB2 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 499 . 1 1 49 49 ALA HB3 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 500 . 1 1 49 49 ALA C C 13 181.4 0.015 . 1 . . . . . . . . 5606 1 501 . 1 1 50 50 GLN N N 15 119.2 0.015 . 1 . . . . . . . . 5606 1 502 . 1 1 50 50 GLN H H 1 8.71 0.015 . 1 . . . . . . . . 5606 1 503 . 1 1 50 50 GLN CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 504 . 1 1 50 50 GLN HA H 1 4.02 0.015 . 1 . . . . . . . . 5606 1 505 . 1 1 50 50 GLN CB C 13 28.45 0.015 . 1 . . . . . . . . 5606 1 506 . 1 1 50 50 GLN HB2 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 507 . 1 1 50 50 GLN HB3 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 508 . 1 1 50 50 GLN C C 13 178.4 0.015 . 1 . . . . . . . . 5606 1 509 . 1 1 51 51 ALA N N 15 124.86 0.015 . 1 . . . . . . . . 5606 1 510 . 1 1 51 51 ALA H H 1 8.84 0.015 . 1 . . . . . . . . 5606 1 511 . 1 1 51 51 ALA CA C 13 56.47 0.015 . 1 . . . . . . . . 5606 1 512 . 1 1 51 51 ALA HA H 1 4.02 0.015 . 1 . . . . . . . . 5606 1 513 . 1 1 51 51 ALA CB C 13 17.75 0.015 . 1 . . . . . . . . 5606 1 514 . 1 1 51 51 ALA HB1 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 515 . 1 1 51 51 ALA HB2 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 516 . 1 1 51 51 ALA HB3 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 517 . 1 1 51 51 ALA C C 13 178.75 0.015 . 1 . . . . . . . . 5606 1 518 . 1 1 52 52 ARG N N 15 115.86 0.015 . 1 . . . . . . . . 5606 1 519 . 1 1 52 52 ARG H H 1 8.31 0.015 . 1 . . . . . . . . 5606 1 520 . 1 1 52 52 ARG CA C 13 58.18 0.015 . 1 . . . . . . . . 5606 1 521 . 1 1 52 52 ARG HA H 1 3.95 0.015 . 1 . . . . . . . . 5606 1 522 . 1 1 52 52 ARG CB C 13 28.96 0.015 . 1 . . . . . . . . 5606 1 523 . 1 1 52 52 ARG HB2 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 524 . 1 1 52 52 ARG HB3 H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 525 . 1 1 52 52 ARG HG2 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 526 . 1 1 52 52 ARG HG3 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 527 . 1 1 52 52 ARG CD C 13 44.12 0.015 . 1 . . . . . . . . 5606 1 528 . 1 1 52 52 ARG HD2 H 1 3.12 0.015 . 1 . . . . . . . . 5606 1 529 . 1 1 52 52 ARG HD3 H 1 3.01 0.015 . 1 . . . . . . . . 5606 1 530 . 1 1 52 52 ARG C C 13 177.8 0.015 . 1 . . . . . . . . 5606 1 531 . 1 1 53 53 GLN N N 15 118.2 0.015 . 1 . . . . . . . . 5606 1 532 . 1 1 53 53 GLN H H 1 8.56 0.015 . 1 . . . . . . . . 5606 1 533 . 1 1 53 53 GLN CA C 13 58.5 0.015 . 1 . . . . . . . . 5606 1 534 . 1 1 53 53 GLN HA H 1 4.02 0.015 . 1 . . . . . . . . 5606 1 535 . 1 1 53 53 GLN CB C 13 29.47 0.015 . 1 . . . . . . . . 5606 1 536 . 1 1 53 53 GLN HB2 H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 537 . 1 1 53 53 GLN HB3 H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 538 . 1 1 53 53 GLN C C 13 178.9 0.015 . 1 . . . . . . . . 5606 1 539 . 1 1 54 54 SER N N 15 113.86 0.015 . 1 . . . . . . . . 5606 1 540 . 1 1 54 54 SER H H 1 8.62 0.015 . 1 . . . . . . . . 5606 1 541 . 1 1 54 54 SER CA C 13 64.11 0.015 . 1 . . . . . . . . 5606 1 542 . 1 1 54 54 SER HA H 1 4.1 0.015 . 1 . . . . . . . . 5606 1 543 . 1 1 54 54 SER CB C 13 63.6 0.015 . 1 . . . . . . . . 5606 1 544 . 1 1 54 54 SER HB2 H 1 3.76 0.015 . 1 . . . . . . . . 5606 1 545 . 1 1 54 54 SER HB3 H 1 3.7 0.015 . 1 . . . . . . . . 5606 1 546 . 1 1 54 54 SER C C 13 176.95 0.015 . 1 . . . . . . . . 5606 1 547 . 1 1 55 55 LEU N N 15 120.36 0.015 . 1 . . . . . . . . 5606 1 548 . 1 1 55 55 LEU H H 1 7.6 0.015 . 1 . . . . . . . . 5606 1 549 . 1 1 55 55 LEU CA C 13 58.5 0.015 . 1 . . . . . . . . 5606 1 550 . 1 1 55 55 LEU HA H 1 3.55 0.015 . 1 . . . . . . . . 5606 1 551 . 1 1 55 55 LEU CB C 13 39.15 0.015 . 1 . . . . . . . . 5606 1 552 . 1 1 55 55 LEU HB2 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 553 . 1 1 55 55 LEU HB3 H 1 -0.87 0.015 . 1 . . . . . . . . 5606 1 554 . 1 1 55 55 LEU CD1 C 13 25.68 0.015 . 1 . . . . . . . . 5606 1 555 . 1 1 55 55 LEU HD11 H 1 0.44 0.015 . 1 . . . . . . . . 5606 1 556 . 1 1 55 55 LEU HD12 H 1 0.44 0.015 . 1 . . . . . . . . 5606 1 557 . 1 1 55 55 LEU HD13 H 1 0.44 0.015 . 1 . . . . . . . . 5606 1 558 . 1 1 55 55 LEU HD21 H 1 0.98 0.015 . 1 . . . . . . . . 5606 1 559 . 1 1 55 55 LEU HD22 H 1 0.98 0.015 . 1 . . . . . . . . 5606 1 560 . 1 1 55 55 LEU HD23 H 1 0.98 0.015 . 1 . . . . . . . . 5606 1 561 . 1 1 55 55 LEU C C 13 178.6 0.015 . 1 . . . . . . . . 5606 1 562 . 1 1 56 56 GLU N N 15 119.86 0.015 . 1 . . . . . . . . 5606 1 563 . 1 1 56 56 GLU H H 1 8.84 0.015 . 1 . . . . . . . . 5606 1 564 . 1 1 56 56 GLU CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 565 . 1 1 56 56 GLU HA H 1 4.15 0.015 . 1 . . . . . . . . 5606 1 566 . 1 1 56 56 GLU CB C 13 28.45 0.015 . 1 . . . . . . . . 5606 1 567 . 1 1 56 56 GLU HB2 H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 568 . 1 1 56 56 GLU HB3 H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 569 . 1 1 56 56 GLU CG C 13 36.61 0.015 . 1 . . . . . . . . 5606 1 570 . 1 1 56 56 GLU HG2 H 1 2.48 0.015 . 1 . . . . . . . . 5606 1 571 . 1 1 56 56 GLU HG3 H 1 2.38 0.015 . 1 . . . . . . . . 5606 1 572 . 1 1 56 56 GLU C C 13 179.5 0.015 . 1 . . . . . . . . 5606 1 573 . 1 1 57 57 ASN N N 15 121.6 0.015 . 1 . . . . . . . . 5606 1 574 . 1 1 57 57 ASN H H 1 8.26 0.015 . 1 . . . . . . . . 5606 1 575 . 1 1 57 57 ASN CA C 13 56.47 0.015 . 1 . . . . . . . . 5606 1 576 . 1 1 57 57 ASN HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 577 . 1 1 57 57 ASN CB C 13 37.62 0.015 . 1 . . . . . . . . 5606 1 578 . 1 1 57 57 ASN HB2 H 1 3.29 0.015 . 1 . . . . . . . . 5606 1 579 . 1 1 57 57 ASN HB3 H 1 3.41 0.015 . 1 . . . . . . . . 5606 1 580 . 1 1 57 57 ASN HD21 H 1 6.71 0.015 . 1 . . . . . . . . 5606 1 581 . 1 1 57 57 ASN HD22 H 1 7.29 0.015 . 1 . . . . . . . . 5606 1 582 . 1 1 57 57 ASN C C 13 177.6 0.015 . 1 . . . . . . . . 5606 1 583 . 1 1 58 58 VAL N N 15 118.86 0.015 . 1 . . . . . . . . 5606 1 584 . 1 1 58 58 VAL H H 1 7.87 0.015 . 1 . . . . . . . . 5606 1 585 . 1 1 58 58 VAL CA C 13 68.18 0.015 . 1 . . . . . . . . 5606 1 586 . 1 1 58 58 VAL HA H 1 3.49 0.015 . 1 . . . . . . . . 5606 1 587 . 1 1 58 58 VAL CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 588 . 1 1 58 58 VAL HB H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 589 . 1 1 58 58 VAL CG1 C 13 23.18 0.015 . 1 . . . . . . . . 5606 1 590 . 1 1 58 58 VAL HG11 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 591 . 1 1 58 58 VAL HG12 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 592 . 1 1 58 58 VAL HG13 H 1 1.09 0.015 . 1 . . . . . . . . 5606 1 593 . 1 1 58 58 VAL HG21 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 594 . 1 1 58 58 VAL HG22 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 595 . 1 1 58 58 VAL HG23 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 596 . 1 1 58 58 VAL C C 13 177.85 0.015 . 1 . . . . . . . . 5606 1 597 . 1 1 59 59 LYS N N 15 120 0.015 . 1 . . . . . . . . 5606 1 598 . 1 1 59 59 LYS H H 1 8.9 0.015 . 1 . . . . . . . . 5606 1 599 . 1 1 59 59 LYS CA C 13 60.37 0.015 . 1 . . . . . . . . 5606 1 600 . 1 1 59 59 LYS HA H 1 3.69 0.015 . 1 . . . . . . . . 5606 1 601 . 1 1 59 59 LYS CB C 13 33.54 0.015 . 1 . . . . . . . . 5606 1 602 . 1 1 59 59 LYS HB2 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 603 . 1 1 59 59 LYS HB3 H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 604 . 1 1 59 59 LYS CD C 13 30.36 0.015 . 1 . . . . . . . . 5606 1 605 . 1 1 59 59 LYS HD2 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 606 . 1 1 59 59 LYS HD3 H 1 1.7 0.015 . 1 . . . . . . . . 5606 1 607 . 1 1 59 59 LYS HE2 H 1 3.13 0.015 . 1 . . . . . . . . 5606 1 608 . 1 1 59 59 LYS HE3 H 1 3.13 0.015 . 1 . . . . . . . . 5606 1 609 . 1 1 59 59 LYS C C 13 177.4 0.015 . 1 . . . . . . . . 5606 1 610 . 1 1 60 60 ALA N N 15 119.6 0.015 . 1 . . . . . . . . 5606 1 611 . 1 1 60 60 ALA H H 1 8.48 0.015 . 1 . . . . . . . . 5606 1 612 . 1 1 60 60 ALA CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 613 . 1 1 60 60 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 614 . 1 1 60 60 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 615 . 1 1 60 60 ALA HB1 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 616 . 1 1 60 60 ALA HB2 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 617 . 1 1 60 60 ALA HB3 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 618 . 1 1 60 60 ALA C C 13 180.5 0.015 . 1 . . . . . . . . 5606 1 619 . 1 1 61 61 ILE N N 15 119.8 0.015 . 1 . . . . . . . . 5606 1 620 . 1 1 61 61 ILE H H 1 7.43 0.015 . 1 . . . . . . . . 5606 1 621 . 1 1 61 61 ILE CA C 13 65.64 0.015 . 1 . . . . . . . . 5606 1 622 . 1 1 61 61 ILE HA H 1 3.4 0.015 . 1 . . . . . . . . 5606 1 623 . 1 1 61 61 ILE CB C 13 39.15 0.015 . 1 . . . . . . . . 5606 1 624 . 1 1 61 61 ILE HB H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 625 . 1 1 61 61 ILE CG2 C 13 19.74 0.015 . 1 . . . . . . . . 5606 1 626 . 1 1 61 61 ILE HG21 H 1 0.79 0.015 . 1 . . . . . . . . 5606 1 627 . 1 1 61 61 ILE HG22 H 1 0.79 0.015 . 1 . . . . . . . . 5606 1 628 . 1 1 61 61 ILE HG23 H 1 0.79 0.015 . 1 . . . . . . . . 5606 1 629 . 1 1 61 61 ILE CD1 C 13 15.3 0.015 . 1 . . . . . . . . 5606 1 630 . 1 1 61 61 ILE HD11 H 1 0.88 0.015 . 1 . . . . . . . . 5606 1 631 . 1 1 61 61 ILE HD12 H 1 0.88 0.015 . 1 . . . . . . . . 5606 1 632 . 1 1 61 61 ILE HD13 H 1 0.88 0.015 . 1 . . . . . . . . 5606 1 633 . 1 1 62 62 ILE N N 15 118.36 0.015 . 1 . . . . . . . . 5606 1 634 . 1 1 62 62 ILE H H 1 8.06 0.015 . 1 . . . . . . . . 5606 1 635 . 1 1 62 62 ILE CA C 13 63.6 0.015 . 1 . . . . . . . . 5606 1 636 . 1 1 62 62 ILE HA H 1 3.62 0.015 . 1 . . . . . . . . 5606 1 637 . 1 1 62 62 ILE CB C 13 36.6 0.015 . 1 . . . . . . . . 5606 1 638 . 1 1 62 62 ILE HB H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 639 . 1 1 62 62 ILE CG1 C 13 29.11 0.015 . 1 . . . . . . . . 5606 1 640 . 1 1 62 62 ILE HG12 H 1 1.16 0.015 . 1 . . . . . . . . 5606 1 641 . 1 1 62 62 ILE HG13 H 1 1.66 0.015 . 1 . . . . . . . . 5606 1 642 . 1 1 62 62 ILE CG2 C 13 19.74 0.015 . 1 . . . . . . . . 5606 1 643 . 1 1 62 62 ILE HG21 H 1 0.67 0.015 . 1 . . . . . . . . 5606 1 644 . 1 1 62 62 ILE HG22 H 1 0.67 0.015 . 1 . . . . . . . . 5606 1 645 . 1 1 62 62 ILE HG23 H 1 0.67 0.015 . 1 . . . . . . . . 5606 1 646 . 1 1 62 62 ILE CD1 C 13 11.93 0.015 . 1 . . . . . . . . 5606 1 647 . 1 1 62 62 ILE HD11 H 1 0.59 0.015 . 1 . . . . . . . . 5606 1 648 . 1 1 62 62 ILE HD12 H 1 0.59 0.015 . 1 . . . . . . . . 5606 1 649 . 1 1 62 62 ILE HD13 H 1 0.59 0.015 . 1 . . . . . . . . 5606 1 650 . 1 1 62 62 ILE C C 13 178.7 0.015 . 1 . . . . . . . . 5606 1 651 . 1 1 63 63 GLU N N 15 120 0.015 . 1 . . . . . . . . 5606 1 652 . 1 1 63 63 GLU H H 1 8.95 0.015 . 1 . . . . . . . . 5606 1 653 . 1 1 63 63 GLU CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 654 . 1 1 63 63 GLU HA H 1 4.79 0.015 . 1 . . . . . . . . 5606 1 655 . 1 1 63 63 GLU CB C 13 29.47 0.015 . 1 . . . . . . . . 5606 1 656 . 1 1 63 63 GLU HB2 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 657 . 1 1 63 63 GLU HB3 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 658 . 1 1 63 63 GLU C C 13 181.3 0.015 . 1 . . . . . . . . 5606 1 659 . 1 1 64 64 LYS N N 15 123.86 0.015 . 1 . . . . . . . . 5606 1 660 . 1 1 64 64 LYS H H 1 7.85 0.015 . 1 . . . . . . . . 5606 1 661 . 1 1 64 64 LYS CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 662 . 1 1 64 64 LYS HA H 1 4.41 0.015 . 1 . . . . . . . . 5606 1 663 . 1 1 64 64 LYS CB C 13 30.49 0.015 . 1 . . . . . . . . 5606 1 664 . 1 1 64 64 LYS HB2 H 1 1.8 0.015 . 1 . . . . . . . . 5606 1 665 . 1 1 64 64 LYS HB3 H 1 2.22 0.015 . 1 . . . . . . . . 5606 1 666 . 1 1 64 64 LYS C C 13 178.1 0.015 . 1 . . . . . . . . 5606 1 667 . 1 1 65 65 ALA N N 15 119.5 0.015 . 1 . . . . . . . . 5606 1 668 . 1 1 65 65 ALA H H 1 7.38 0.015 . 1 . . . . . . . . 5606 1 669 . 1 1 65 65 ALA CA C 13 52.39 0.015 . 1 . . . . . . . . 5606 1 670 . 1 1 65 65 ALA HA H 1 4.42 0.015 . 1 . . . . . . . . 5606 1 671 . 1 1 65 65 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 672 . 1 1 65 65 ALA HB1 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 673 . 1 1 65 65 ALA HB2 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 674 . 1 1 65 65 ALA HB3 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 675 . 1 1 65 65 ALA C C 13 177.2 0.015 . 1 . . . . . . . . 5606 1 676 . 1 1 66 66 GLY N N 15 105.87 0.015 . 1 . . . . . . . . 5606 1 677 . 1 1 66 66 GLY H H 1 8.07 0.015 . 1 . . . . . . . . 5606 1 678 . 1 1 66 66 GLY CA C 13 45.77 0.015 . 1 . . . . . . . . 5606 1 679 . 1 1 66 66 GLY HA2 H 1 3.89 0.015 . 1 . . . . . . . . 5606 1 680 . 1 1 66 66 GLY HA3 H 1 4.3 0.015 . 1 . . . . . . . . 5606 1 681 . 1 1 66 66 GLY C C 13 175.7 0.015 . 1 . . . . . . . . 5606 1 682 . 1 1 67 67 LEU N N 15 121.86 0.015 . 1 . . . . . . . . 5606 1 683 . 1 1 67 67 LEU H H 1 7.6 0.015 . 1 . . . . . . . . 5606 1 684 . 1 1 67 67 LEU CA C 13 52.39 0.015 . 1 . . . . . . . . 5606 1 685 . 1 1 67 67 LEU HA H 1 4.91 0.015 . 1 . . . . . . . . 5606 1 686 . 1 1 67 67 LEU CB C 13 44.24 0.015 . 1 . . . . . . . . 5606 1 687 . 1 1 67 67 LEU HB2 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 688 . 1 1 67 67 LEU HB3 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 689 . 1 1 67 67 LEU CD1 C 13 26.05 0.015 . 1 . . . . . . . . 5606 1 690 . 1 1 67 67 LEU HD11 H 1 0.69 0.015 . 1 . . . . . . . . 5606 1 691 . 1 1 67 67 LEU HD12 H 1 0.69 0.015 . 1 . . . . . . . . 5606 1 692 . 1 1 67 67 LEU HD13 H 1 0.69 0.015 . 1 . . . . . . . . 5606 1 693 . 1 1 67 67 LEU HD21 H 1 0.94 0.015 . 1 . . . . . . . . 5606 1 694 . 1 1 67 67 LEU HD22 H 1 0.94 0.015 . 1 . . . . . . . . 5606 1 695 . 1 1 67 67 LEU HD23 H 1 0.94 0.015 . 1 . . . . . . . . 5606 1 696 . 1 1 67 67 LEU C C 13 175.95 0.015 . 1 . . . . . . . . 5606 1 697 . 1 1 68 68 THR N N 15 109.36 0.015 . 1 . . . . . . . . 5606 1 698 . 1 1 68 68 THR H H 1 9.28 0.015 . 1 . . . . . . . . 5606 1 699 . 1 1 68 68 THR CA C 13 60.03 0.015 . 1 . . . . . . . . 5606 1 700 . 1 1 68 68 THR HA H 1 5 0.015 . 1 . . . . . . . . 5606 1 701 . 1 1 68 68 THR CB C 13 73.79 0.015 . 1 . . . . . . . . 5606 1 702 . 1 1 68 68 THR HB H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 703 . 1 1 68 68 THR HG21 H 1 1.37 0.015 . 1 . . . . . . . . 5606 1 704 . 1 1 68 68 THR HG22 H 1 1.37 0.015 . 1 . . . . . . . . 5606 1 705 . 1 1 68 68 THR HG23 H 1 1.37 0.015 . 1 . . . . . . . . 5606 1 706 . 1 1 68 68 THR C C 13 177.1 0.015 . 1 . . . . . . . . 5606 1 707 . 1 1 69 69 ALA N N 15 122.45 0.015 . 1 . . . . . . . . 5606 1 708 . 1 1 69 69 ALA H H 1 9.9 0.015 . 1 . . . . . . . . 5606 1 709 . 1 1 69 69 ALA CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 710 . 1 1 69 69 ALA HA H 1 4.15 0.015 . 1 . . . . . . . . 5606 1 711 . 1 1 69 69 ALA CB C 13 17.75 0.015 . 1 . . . . . . . . 5606 1 712 . 1 1 69 69 ALA HB1 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 713 . 1 1 69 69 ALA HB2 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 714 . 1 1 69 69 ALA HB3 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 715 . 1 1 69 69 ALA C C 13 178.5 0.015 . 1 . . . . . . . . 5606 1 716 . 1 1 70 70 ALA N N 15 117 0.015 . 1 . . . . . . . . 5606 1 717 . 1 1 70 70 ALA H H 1 7.79 0.015 . 1 . . . . . . . . 5606 1 718 . 1 1 70 70 ALA CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 719 . 1 1 70 70 ALA HA H 1 4.02 0.015 . 1 . . . . . . . . 5606 1 720 . 1 1 70 70 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 721 . 1 1 70 70 ALA HB1 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 722 . 1 1 70 70 ALA HB2 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 723 . 1 1 70 70 ALA HB3 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 724 . 1 1 70 70 ALA C C 13 177 0.015 . 1 . . . . . . . . 5606 1 725 . 1 1 71 71 ASP N N 15 115.36 0.015 . 1 . . . . . . . . 5606 1 726 . 1 1 71 71 ASP H H 1 8.02 0.015 . 1 . . . . . . . . 5606 1 727 . 1 1 71 71 ASP CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 728 . 1 1 71 71 ASP HA H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 729 . 1 1 71 71 ASP CB C 13 42.2 0.015 . 1 . . . . . . . . 5606 1 730 . 1 1 71 71 ASP HB2 H 1 2.89 0.015 . 1 . . . . . . . . 5606 1 731 . 1 1 71 71 ASP HB3 H 1 3.75 0.015 . 1 . . . . . . . . 5606 1 732 . 1 1 71 71 ASP C C 13 176.95 0.015 . 1 . . . . . . . . 5606 1 733 . 1 1 72 72 ILE N N 15 118.86 0.015 . 1 . . . . . . . . 5606 1 734 . 1 1 72 72 ILE H H 1 7.54 0.015 . 1 . . . . . . . . 5606 1 735 . 1 1 72 72 ILE CA C 13 63.6 0.015 . 1 . . . . . . . . 5606 1 736 . 1 1 72 72 ILE HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 737 . 1 1 72 72 ILE CB C 13 38.13 0.015 . 1 . . . . . . . . 5606 1 738 . 1 1 72 72 ILE HB H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 739 . 1 1 72 72 ILE CG2 C 13 18.49 0.015 . 1 . . . . . . . . 5606 1 740 . 1 1 72 72 ILE HG21 H 1 1.08 0.015 . 1 . . . . . . . . 5606 1 741 . 1 1 72 72 ILE HG22 H 1 1.08 0.015 . 1 . . . . . . . . 5606 1 742 . 1 1 72 72 ILE HG23 H 1 1.08 0.015 . 1 . . . . . . . . 5606 1 743 . 1 1 72 72 ILE CD1 C 13 13.8 0.015 . 1 . . . . . . . . 5606 1 744 . 1 1 72 72 ILE HD11 H 1 1.2 0.015 . 1 . . . . . . . . 5606 1 745 . 1 1 72 72 ILE HD12 H 1 1.2 0.015 . 1 . . . . . . . . 5606 1 746 . 1 1 72 72 ILE HD13 H 1 1.2 0.015 . 1 . . . . . . . . 5606 1 747 . 1 1 72 72 ILE C C 13 176.65 0.015 . 1 . . . . . . . . 5606 1 748 . 1 1 73 73 VAL N N 15 119.25 0.015 . 1 . . . . . . . . 5606 1 749 . 1 1 73 73 VAL H H 1 9.03 0.015 . 1 . . . . . . . . 5606 1 750 . 1 1 73 73 VAL CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 751 . 1 1 73 73 VAL HA H 1 5.09 0.015 . 1 . . . . . . . . 5606 1 752 . 1 1 73 73 VAL CB C 13 33.03 0.015 . 1 . . . . . . . . 5606 1 753 . 1 1 73 73 VAL HB H 1 2.49 0.015 . 1 . . . . . . . . 5606 1 754 . 1 1 73 73 VAL CG1 C 13 21.9 0.015 . 1 . . . . . . . . 5606 1 755 . 1 1 73 73 VAL HG11 H 1 1.18 0.015 . 1 . . . . . . . . 5606 1 756 . 1 1 73 73 VAL HG12 H 1 1.18 0.015 . 1 . . . . . . . . 5606 1 757 . 1 1 73 73 VAL HG13 H 1 1.18 0.015 . 1 . . . . . . . . 5606 1 758 . 1 1 73 73 VAL CG2 C 13 18.49 0.015 . 1 . . . . . . . . 5606 1 759 . 1 1 73 73 VAL HG21 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 760 . 1 1 73 73 VAL HG22 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 761 . 1 1 73 73 VAL HG23 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 762 . 1 1 74 74 LYS N N 15 122.15 0.015 . 1 . . . . . . . . 5606 1 763 . 1 1 74 74 LYS H H 1 7.79 0.015 . 1 . . . . . . . . 5606 1 764 . 1 1 74 74 LYS CA C 13 55.05 0.015 . 1 . . . . . . . . 5606 1 765 . 1 1 74 74 LYS HA H 1 5.55 0.015 . 1 . . . . . . . . 5606 1 766 . 1 1 74 74 LYS CB C 13 35.58 0.015 . 1 . . . . . . . . 5606 1 767 . 1 1 74 74 LYS HB2 H 1 1.02 0.015 . 1 . . . . . . . . 5606 1 768 . 1 1 74 74 LYS HB3 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 769 . 1 1 74 74 LYS CD C 13 29.43 0.015 . 1 . . . . . . . . 5606 1 770 . 1 1 74 74 LYS HD2 H 1 1.3 0.015 . 1 . . . . . . . . 5606 1 771 . 1 1 74 74 LYS HD3 H 1 1.3 0.015 . 1 . . . . . . . . 5606 1 772 . 1 1 74 74 LYS HE2 H 1 2.91 0.015 . 1 . . . . . . . . 5606 1 773 . 1 1 74 74 LYS HE3 H 1 2.91 0.015 . 1 . . . . . . . . 5606 1 774 . 1 1 74 74 LYS C C 13 175.8 0.015 . 1 . . . . . . . . 5606 1 775 . 1 1 75 75 THR N N 15 115.7 0.015 . 1 . . . . . . . . 5606 1 776 . 1 1 75 75 THR H H 1 9.17 0.015 . 1 . . . . . . . . 5606 1 777 . 1 1 75 75 THR CA C 13 59.52 0.015 . 1 . . . . . . . . 5606 1 778 . 1 1 75 75 THR HA H 1 5.62 0.015 . 1 . . . . . . . . 5606 1 779 . 1 1 75 75 THR CB C 13 72.26 0.015 . 1 . . . . . . . . 5606 1 780 . 1 1 75 75 THR HB H 1 4.44 0.015 . 1 . . . . . . . . 5606 1 781 . 1 1 75 75 THR CG2 C 13 21.93 0.015 . 1 . . . . . . . . 5606 1 782 . 1 1 75 75 THR HG21 H 1 1.33 0.015 . 1 . . . . . . . . 5606 1 783 . 1 1 75 75 THR HG22 H 1 1.33 0.015 . 1 . . . . . . . . 5606 1 784 . 1 1 75 75 THR HG23 H 1 1.33 0.015 . 1 . . . . . . . . 5606 1 785 . 1 1 75 75 THR C C 13 176.5 0.015 . 1 . . . . . . . . 5606 1 786 . 1 1 76 76 THR N N 15 117.75 0.015 . 1 . . . . . . . . 5606 1 787 . 1 1 76 76 THR H H 1 8.29 0.015 . 1 . . . . . . . . 5606 1 788 . 1 1 76 76 THR CA C 13 63.6 0.015 . 1 . . . . . . . . 5606 1 789 . 1 1 76 76 THR HA H 1 4.62 0.015 . 1 . . . . . . . . 5606 1 790 . 1 1 76 76 THR CB C 13 69.71 0.015 . 1 . . . . . . . . 5606 1 791 . 1 1 76 76 THR HB H 1 3.66 0.015 . 1 . . . . . . . . 5606 1 792 . 1 1 76 76 THR CG2 C 13 21.78 0.015 . 1 . . . . . . . . 5606 1 793 . 1 1 76 76 THR HG21 H 1 0.23 0.015 . 1 . . . . . . . . 5606 1 794 . 1 1 76 76 THR HG22 H 1 0.23 0.015 . 1 . . . . . . . . 5606 1 795 . 1 1 76 76 THR HG23 H 1 0.23 0.015 . 1 . . . . . . . . 5606 1 796 . 1 1 76 76 THR C C 13 174.3 0.015 . 1 . . . . . . . . 5606 1 797 . 1 1 77 77 VAL N N 15 126.36 0.015 . 1 . . . . . . . . 5606 1 798 . 1 1 77 77 VAL H H 1 8.59 0.015 . 1 . . . . . . . . 5606 1 799 . 1 1 77 77 VAL CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 800 . 1 1 77 77 VAL HA H 1 4.42 0.015 . 1 . . . . . . . . 5606 1 801 . 1 1 77 77 VAL CB C 13 33.03 0.015 . 1 . . . . . . . . 5606 1 802 . 1 1 77 77 VAL HB H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 803 . 1 1 77 77 VAL HG11 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 804 . 1 1 77 77 VAL HG12 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 805 . 1 1 77 77 VAL HG13 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 806 . 1 1 77 77 VAL CG2 C 13 21 0.015 . 1 . . . . . . . . 5606 1 807 . 1 1 77 77 VAL HG21 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 808 . 1 1 77 77 VAL HG22 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 809 . 1 1 77 77 VAL HG23 H 1 0.92 0.015 . 1 . . . . . . . . 5606 1 810 . 1 1 77 77 VAL C C 13 174.8 0.015 . 1 . . . . . . . . 5606 1 811 . 1 1 78 78 PHE N N 15 126.36 0.015 . 1 . . . . . . . . 5606 1 812 . 1 1 78 78 PHE H H 1 8.81 0.015 . 1 . . . . . . . . 5606 1 813 . 1 1 78 78 PHE CA C 13 55.45 0.015 . 1 . . . . . . . . 5606 1 814 . 1 1 78 78 PHE HA H 1 5.22 0.015 . 1 . . . . . . . . 5606 1 815 . 1 1 78 78 PHE CB C 13 40.68 0.015 . 1 . . . . . . . . 5606 1 816 . 1 1 78 78 PHE HB2 H 1 3.09 0.015 . 1 . . . . . . . . 5606 1 817 . 1 1 78 78 PHE HB3 H 1 2.82 0.015 . 1 . . . . . . . . 5606 1 818 . 1 1 78 78 PHE HD1 H 1 6.9 0.015 . 1 . . . . . . . . 5606 1 819 . 1 1 78 78 PHE HD2 H 1 6.9 0.015 . 1 . . . . . . . . 5606 1 820 . 1 1 78 78 PHE HE1 H 1 7 0.015 . 1 . . . . . . . . 5606 1 821 . 1 1 78 78 PHE HE2 H 1 7 0.015 . 1 . . . . . . . . 5606 1 822 . 1 1 78 78 PHE HZ H 1 7.32 0.015 . 1 . . . . . . . . 5606 1 823 . 1 1 78 78 PHE C C 13 176.8 0.015 . 1 . . . . . . . . 5606 1 824 . 1 1 79 79 VAL N N 15 113.86 0.015 . 1 . . . . . . . . 5606 1 825 . 1 1 79 79 VAL H H 1 8.84 0.015 . 1 . . . . . . . . 5606 1 826 . 1 1 79 79 VAL CA C 13 59.01 0.015 . 1 . . . . . . . . 5606 1 827 . 1 1 79 79 VAL HA H 1 5.29 0.015 . 1 . . . . . . . . 5606 1 828 . 1 1 79 79 VAL CB C 13 34.05 0.015 . 1 . . . . . . . . 5606 1 829 . 1 1 79 79 VAL HB H 1 2.6 0.015 . 1 . . . . . . . . 5606 1 830 . 1 1 79 79 VAL CG1 C 13 22.7 0.015 . 1 . . . . . . . . 5606 1 831 . 1 1 79 79 VAL HG11 H 1 0.9 0.015 . 1 . . . . . . . . 5606 1 832 . 1 1 79 79 VAL HG12 H 1 0.9 0.015 . 1 . . . . . . . . 5606 1 833 . 1 1 79 79 VAL HG13 H 1 0.9 0.015 . 1 . . . . . . . . 5606 1 834 . 1 1 79 79 VAL CG2 C 13 19.15 0.015 . 1 . . . . . . . . 5606 1 835 . 1 1 79 79 VAL HG21 H 1 0.62 0.015 . 1 . . . . . . . . 5606 1 836 . 1 1 79 79 VAL HG22 H 1 0.62 0.015 . 1 . . . . . . . . 5606 1 837 . 1 1 79 79 VAL HG23 H 1 0.62 0.015 . 1 . . . . . . . . 5606 1 838 . 1 1 79 79 VAL C C 13 175.9 0.015 . 1 . . . . . . . . 5606 1 839 . 1 1 80 80 LYS N N 15 122.2 0.015 . 1 . . . . . . . . 5606 1 840 . 1 1 80 80 LYS H H 1 7.99 0.015 . 1 . . . . . . . . 5606 1 841 . 1 1 80 80 LYS CA C 13 55.45 0.015 . 1 . . . . . . . . 5606 1 842 . 1 1 80 80 LYS HA H 1 4.55 0.015 . 1 . . . . . . . . 5606 1 843 . 1 1 80 80 LYS CB C 13 32.7 0.015 . 1 . . . . . . . . 5606 1 844 . 1 1 80 80 LYS HB2 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 845 . 1 1 80 80 LYS HB3 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 846 . 1 1 80 80 LYS C C 13 176.8 0.015 . 1 . . . . . . . . 5606 1 847 . 1 1 81 81 ASP N N 15 116.36 0.015 . 1 . . . . . . . . 5606 1 848 . 1 1 81 81 ASP H H 1 8.42 0.015 . 1 . . . . . . . . 5606 1 849 . 1 1 81 81 ASP CA C 13 52.9 0.015 . 1 . . . . . . . . 5606 1 850 . 1 1 81 81 ASP HA H 1 4.75 0.015 . 1 . . . . . . . . 5606 1 851 . 1 1 81 81 ASP CB C 13 43.22 0.015 . 1 . . . . . . . . 5606 1 852 . 1 1 81 81 ASP HB2 H 1 2.42 0.015 . 1 . . . . . . . . 5606 1 853 . 1 1 81 81 ASP HB3 H 1 3.15 0.015 . 1 . . . . . . . . 5606 1 854 . 1 1 81 81 ASP C C 13 178.3 0.015 . 1 . . . . . . . . 5606 1 855 . 1 1 82 82 LEU N N 15 129.35 0.015 . 1 . . . . . . . . 5606 1 856 . 1 1 82 82 LEU H H 1 10.4 0.015 . 1 . . . . . . . . 5606 1 857 . 1 1 82 82 LEU CA C 13 57.49 0.015 . 1 . . . . . . . . 5606 1 858 . 1 1 82 82 LEU HA H 1 4.02 0.015 . 1 . . . . . . . . 5606 1 859 . 1 1 82 82 LEU CB C 13 41.6 0.015 . 1 . . . . . . . . 5606 1 860 . 1 1 82 82 LEU HB2 H 1 1.75 0.015 . 1 . . . . . . . . 5606 1 861 . 1 1 82 82 LEU HB3 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 862 . 1 1 82 82 LEU HG H 1 1.69 0.015 . 1 . . . . . . . . 5606 1 863 . 1 1 82 82 LEU CD1 C 13 25.36 0.015 . 1 . . . . . . . . 5606 1 864 . 1 1 82 82 LEU HD11 H 1 0.41 0.015 . 1 . . . . . . . . 5606 1 865 . 1 1 82 82 LEU HD12 H 1 0.41 0.015 . 1 . . . . . . . . 5606 1 866 . 1 1 82 82 LEU HD13 H 1 0.41 0.015 . 1 . . . . . . . . 5606 1 867 . 1 1 82 82 LEU CD2 C 13 24.11 0.015 . 1 . . . . . . . . 5606 1 868 . 1 1 82 82 LEU HD21 H 1 0.47 0.015 . 1 . . . . . . . . 5606 1 869 . 1 1 82 82 LEU HD22 H 1 0.47 0.015 . 1 . . . . . . . . 5606 1 870 . 1 1 82 82 LEU HD23 H 1 0.47 0.015 . 1 . . . . . . . . 5606 1 871 . 1 1 82 82 LEU C C 13 179.5 0.015 . 1 . . . . . . . . 5606 1 872 . 1 1 83 83 ASN N N 15 120.86 0.015 . 1 . . . . . . . . 5606 1 873 . 1 1 83 83 ASN H H 1 9.43 0.015 . 1 . . . . . . . . 5606 1 874 . 1 1 83 83 ASN CA C 13 56.47 0.015 . 1 . . . . . . . . 5606 1 875 . 1 1 83 83 ASN HA H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 876 . 1 1 83 83 ASN CB C 13 37.62 0.015 . 1 . . . . . . . . 5606 1 877 . 1 1 83 83 ASN HB2 H 1 3.02 0.015 . 1 . . . . . . . . 5606 1 878 . 1 1 83 83 ASN HB3 H 1 2.75 0.015 . 1 . . . . . . . . 5606 1 879 . 1 1 83 83 ASN HD21 H 1 7.21 0.015 . 1 . . . . . . . . 5606 1 880 . 1 1 83 83 ASN HD22 H 1 8.22 0.015 . 1 . . . . . . . . 5606 1 881 . 1 1 83 83 ASN ND2 N 15 116.1 0.015 . 1 . . . . . . . . 5606 1 882 . 1 1 84 84 ASP N N 15 119.36 0.015 . 1 . . . . . . . . 5606 1 883 . 1 1 84 84 ASP H H 1 8.04 0.015 . 1 . . . . . . . . 5606 1 884 . 1 1 84 84 ASP CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 885 . 1 1 84 84 ASP HA H 1 5.11 0.015 . 1 . . . . . . . . 5606 1 886 . 1 1 84 84 ASP CB C 13 42.2 0.015 . 1 . . . . . . . . 5606 1 887 . 1 1 84 84 ASP HB2 H 1 2.89 0.015 . 1 . . . . . . . . 5606 1 888 . 1 1 84 84 ASP HB3 H 1 3.15 0.015 . 1 . . . . . . . . 5606 1 889 . 1 1 84 84 ASP C C 13 177.3 0.015 . 1 . . . . . . . . 5606 1 890 . 1 1 85 85 PHE N N 15 119.75 0.015 . 1 . . . . . . . . 5606 1 891 . 1 1 85 85 PHE H H 1 7.9 0.015 . 1 . . . . . . . . 5606 1 892 . 1 1 85 85 PHE CA C 13 61.56 0.015 . 1 . . . . . . . . 5606 1 893 . 1 1 85 85 PHE HA H 1 4.15 0.015 . 1 . . . . . . . . 5606 1 894 . 1 1 85 85 PHE CB C 13 40.17 0.015 . 1 . . . . . . . . 5606 1 895 . 1 1 85 85 PHE HB2 H 1 3.42 0.015 . 1 . . . . . . . . 5606 1 896 . 1 1 85 85 PHE HB3 H 1 3.09 0.015 . 1 . . . . . . . . 5606 1 897 . 1 1 85 85 PHE HD1 H 1 7.19 0.015 . 1 . . . . . . . . 5606 1 898 . 1 1 85 85 PHE HD2 H 1 7.19 0.015 . 1 . . . . . . . . 5606 1 899 . 1 1 85 85 PHE HE1 H 1 7.11 0.015 . 1 . . . . . . . . 5606 1 900 . 1 1 85 85 PHE HE2 H 1 7.11 0.015 . 1 . . . . . . . . 5606 1 901 . 1 1 85 85 PHE HZ H 1 6.91 0.015 . 1 . . . . . . . . 5606 1 902 . 1 1 85 85 PHE C C 13 177.2 0.015 . 1 . . . . . . . . 5606 1 903 . 1 1 86 86 ALA N N 15 121 0.015 . 1 . . . . . . . . 5606 1 904 . 1 1 86 86 ALA H H 1 8.82 0.015 . 1 . . . . . . . . 5606 1 905 . 1 1 86 86 ALA CA C 13 56.47 0.015 . 1 . . . . . . . . 5606 1 906 . 1 1 86 86 ALA HA H 1 4.09 0.015 . 1 . . . . . . . . 5606 1 907 . 1 1 86 86 ALA CB C 13 17.24 0.015 . 1 . . . . . . . . 5606 1 908 . 1 1 86 86 ALA HB1 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 909 . 1 1 86 86 ALA HB2 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 910 . 1 1 86 86 ALA HB3 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 911 . 1 1 86 86 ALA C C 13 180.3 0.015 . 1 . . . . . . . . 5606 1 912 . 1 1 87 87 ALA N N 15 121.36 0.015 . 1 . . . . . . . . 5606 1 913 . 1 1 87 87 ALA H H 1 7.85 0.015 . 1 . . . . . . . . 5606 1 914 . 1 1 87 87 ALA CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 915 . 1 1 87 87 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 916 . 1 1 87 87 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 917 . 1 1 87 87 ALA HB1 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 918 . 1 1 87 87 ALA HB2 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 919 . 1 1 87 87 ALA HB3 H 1 1.49 0.015 . 1 . . . . . . . . 5606 1 920 . 1 1 87 87 ALA C C 13 180.2 0.015 . 1 . . . . . . . . 5606 1 921 . 1 1 88 88 VAL N N 15 118.36 0.015 . 1 . . . . . . . . 5606 1 922 . 1 1 88 88 VAL H H 1 7.65 0.015 . 1 . . . . . . . . 5606 1 923 . 1 1 88 88 VAL CA C 13 67.16 0.015 . 1 . . . . . . . . 5606 1 924 . 1 1 88 88 VAL HA H 1 3.29 0.015 . 1 . . . . . . . . 5606 1 925 . 1 1 88 88 VAL CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 926 . 1 1 88 88 VAL HB H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 927 . 1 1 88 88 VAL CG1 C 13 20.64 0.015 . 1 . . . . . . . . 5606 1 928 . 1 1 88 88 VAL HG11 H 1 0.72 0.015 . 1 . . . . . . . . 5606 1 929 . 1 1 88 88 VAL HG12 H 1 0.72 0.015 . 1 . . . . . . . . 5606 1 930 . 1 1 88 88 VAL HG13 H 1 0.72 0.015 . 1 . . . . . . . . 5606 1 931 . 1 1 88 88 VAL CG2 C 13 23.8 0.015 . 1 . . . . . . . . 5606 1 932 . 1 1 88 88 VAL HG21 H 1 1.01 0.015 . 1 . . . . . . . . 5606 1 933 . 1 1 88 88 VAL HG22 H 1 1.01 0.015 . 1 . . . . . . . . 5606 1 934 . 1 1 88 88 VAL HG23 H 1 1.01 0.015 . 1 . . . . . . . . 5606 1 935 . 1 1 88 88 VAL C C 13 177.9 0.015 . 1 . . . . . . . . 5606 1 936 . 1 1 89 89 ASN N N 15 117.86 0.015 . 1 . . . . . . . . 5606 1 937 . 1 1 89 89 ASN H H 1 9.06 0.015 . 1 . . . . . . . . 5606 1 938 . 1 1 89 89 ASN CA C 13 55.96 0.015 . 1 . . . . . . . . 5606 1 939 . 1 1 89 89 ASN HA H 1 3.95 0.015 . 1 . . . . . . . . 5606 1 940 . 1 1 89 89 ASN CB C 13 38.64 0.015 . 1 . . . . . . . . 5606 1 941 . 1 1 89 89 ASN HB2 H 1 2.16 0.015 . 1 . . . . . . . . 5606 1 942 . 1 1 89 89 ASN HB3 H 1 2.55 0.015 . 1 . . . . . . . . 5606 1 943 . 1 1 89 89 ASN C C 13 177.9 0.015 . 1 . . . . . . . . 5606 1 944 . 1 1 90 90 ALA N N 15 120.36 0.015 . 1 . . . . . . . . 5606 1 945 . 1 1 90 90 ALA H H 1 7.73 0.015 . 1 . . . . . . . . 5606 1 946 . 1 1 90 90 ALA CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 947 . 1 1 90 90 ALA HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 948 . 1 1 90 90 ALA CB C 13 18.26 0.015 . 1 . . . . . . . . 5606 1 949 . 1 1 90 90 ALA HB1 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 950 . 1 1 90 90 ALA HB2 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 951 . 1 1 90 90 ALA HB3 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 952 . 1 1 90 90 ALA C C 13 180.05 0.015 . 1 . . . . . . . . 5606 1 953 . 1 1 91 91 GLU N N 15 120.9 0.015 . 1 . . . . . . . . 5606 1 954 . 1 1 91 91 GLU H H 1 7.48 0.015 . 1 . . . . . . . . 5606 1 955 . 1 1 91 91 GLU CA C 13 58.5 0.015 . 1 . . . . . . . . 5606 1 956 . 1 1 91 91 GLU HA H 1 4.42 0.015 . 1 . . . . . . . . 5606 1 957 . 1 1 91 91 GLU CB C 13 29.47 0.015 . 1 . . . . . . . . 5606 1 958 . 1 1 91 91 GLU HB2 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 959 . 1 1 91 91 GLU HB3 H 1 2.22 0.015 . 1 . . . . . . . . 5606 1 960 . 1 1 91 91 GLU C C 13 177.9 0.015 . 1 . . . . . . . . 5606 1 961 . 1 1 92 92 TYR N N 15 121.7 0.015 . 1 . . . . . . . . 5606 1 962 . 1 1 92 92 TYR H H 1 8.96 0.015 . 1 . . . . . . . . 5606 1 963 . 1 1 92 92 TYR CA C 13 61.56 0.015 . 1 . . . . . . . . 5606 1 964 . 1 1 92 92 TYR HA H 1 4.1 0.015 . 1 . . . . . . . . 5606 1 965 . 1 1 92 92 TYR CB C 13 39.66 0.015 . 1 . . . . . . . . 5606 1 966 . 1 1 92 92 TYR HB2 H 1 2.84 0.015 . 1 . . . . . . . . 5606 1 967 . 1 1 92 92 TYR HB3 H 1 3.65 0.015 . 1 . . . . . . . . 5606 1 968 . 1 1 92 92 TYR HD1 H 1 7.03 0.015 . 1 . . . . . . . . 5606 1 969 . 1 1 92 92 TYR HD2 H 1 7.03 0.015 . 1 . . . . . . . . 5606 1 970 . 1 1 93 93 GLU N N 15 119.3 0.015 . 1 . . . . . . . . 5606 1 971 . 1 1 93 93 GLU H H 1 8.84 0.015 . 1 . . . . . . . . 5606 1 972 . 1 1 93 93 GLU CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 973 . 1 1 93 93 GLU HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 974 . 1 1 93 93 GLU CB C 13 30.49 0.015 . 1 . . . . . . . . 5606 1 975 . 1 1 93 93 GLU HB2 H 1 2.42 0.015 . 1 . . . . . . . . 5606 1 976 . 1 1 93 93 GLU HB3 H 1 2.42 0.015 . 1 . . . . . . . . 5606 1 977 . 1 1 93 93 GLU C C 13 178.1 0.015 . 1 . . . . . . . . 5606 1 978 . 1 1 94 94 ARG N N 15 118.36 0.015 . 1 . . . . . . . . 5606 1 979 . 1 1 94 94 ARG H H 1 7.96 0.015 . 1 . . . . . . . . 5606 1 980 . 1 1 94 94 ARG CA C 13 60.54 0.015 . 1 . . . . . . . . 5606 1 981 . 1 1 94 94 ARG HA H 1 4.09 0.015 . 1 . . . . . . . . 5606 1 982 . 1 1 94 94 ARG CB C 13 30.49 0.015 . 1 . . . . . . . . 5606 1 983 . 1 1 94 94 ARG HB2 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 984 . 1 1 94 94 ARG HB3 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 985 . 1 1 94 94 ARG HG2 H 1 1.66 0.015 . 1 . . . . . . . . 5606 1 986 . 1 1 94 94 ARG HG3 H 1 1.91 0.015 . 1 . . . . . . . . 5606 1 987 . 1 1 94 94 ARG CD C 13 43.49 0.015 . 1 . . . . . . . . 5606 1 988 . 1 1 94 94 ARG HD2 H 1 3.32 0.015 . 1 . . . . . . . . 5606 1 989 . 1 1 94 94 ARG HD3 H 1 3.32 0.015 . 1 . . . . . . . . 5606 1 990 . 1 1 94 94 ARG C C 13 178.5 0.015 . 1 . . . . . . . . 5606 1 991 . 1 1 95 95 PHE N N 15 118.86 0.015 . 1 . . . . . . . . 5606 1 992 . 1 1 95 95 PHE H H 1 8.79 0.015 . 1 . . . . . . . . 5606 1 993 . 1 1 95 95 PHE CA C 13 62.07 0.015 . 1 . . . . . . . . 5606 1 994 . 1 1 95 95 PHE CB C 13 39.66 0.015 . 1 . . . . . . . . 5606 1 995 . 1 1 95 95 PHE HB2 H 1 2.8 0.015 . 1 . . . . . . . . 5606 1 996 . 1 1 95 95 PHE HB3 H 1 3.1 0.015 . 1 . . . . . . . . 5606 1 997 . 1 1 95 95 PHE HD1 H 1 6.27 0.015 . 1 . . . . . . . . 5606 1 998 . 1 1 95 95 PHE HD2 H 1 6.27 0.015 . 1 . . . . . . . . 5606 1 999 . 1 1 95 95 PHE HE1 H 1 6.59 0.015 . 1 . . . . . . . . 5606 1 1000 . 1 1 95 95 PHE HE2 H 1 6.59 0.015 . 1 . . . . . . . . 5606 1 1001 . 1 1 95 95 PHE HZ H 1 6.73 0.015 . 1 . . . . . . . . 5606 1 1002 . 1 1 95 95 PHE C C 13 178.65 0.015 . 1 . . . . . . . . 5606 1 1003 . 1 1 96 96 PHE N N 15 118.55 0.015 . 1 . . . . . . . . 5606 1 1004 . 1 1 96 96 PHE H H 1 8.16 0.015 . 1 . . . . . . . . 5606 1 1005 . 1 1 96 96 PHE CA C 13 65.64 0.015 . 1 . . . . . . . . 5606 1 1006 . 1 1 96 96 PHE HA H 1 3.95 0.015 . 1 . . . . . . . . 5606 1 1007 . 1 1 96 96 PHE CB C 13 38.64 0.015 . 1 . . . . . . . . 5606 1 1008 . 1 1 96 96 PHE HB2 H 1 3.16 0.015 . 1 . . . . . . . . 5606 1 1009 . 1 1 96 96 PHE HB3 H 1 3.16 0.015 . 1 . . . . . . . . 5606 1 1010 . 1 1 96 96 PHE HD1 H 1 7.41 0.015 . 1 . . . . . . . . 5606 1 1011 . 1 1 96 96 PHE HD2 H 1 7.41 0.015 . 1 . . . . . . . . 5606 1 1012 . 1 1 96 96 PHE HE1 H 1 6.94 0.015 . 1 . . . . . . . . 5606 1 1013 . 1 1 96 96 PHE HE2 H 1 6.94 0.015 . 1 . . . . . . . . 5606 1 1014 . 1 1 96 96 PHE C C 13 177.9 0.015 . 1 . . . . . . . . 5606 1 1015 . 1 1 97 97 LYS N N 15 120.1 0.015 . 1 . . . . . . . . 5606 1 1016 . 1 1 97 97 LYS H H 1 8.56 0.015 . 1 . . . . . . . . 5606 1 1017 . 1 1 97 97 LYS CA C 13 59.52 0.015 . 1 . . . . . . . . 5606 1 1018 . 1 1 97 97 LYS HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 1019 . 1 1 97 97 LYS CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 1020 . 1 1 97 97 LYS HB2 H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 1021 . 1 1 97 97 LYS HB3 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 1022 . 1 1 97 97 LYS C C 13 180.9 0.015 . 1 . . . . . . . . 5606 1 1023 . 1 1 98 98 GLU N N 15 121.36 0.015 . 1 . . . . . . . . 5606 1 1024 . 1 1 98 98 GLU H H 1 9.09 0.015 . 1 . . . . . . . . 5606 1 1025 . 1 1 98 98 GLU CA C 13 58.5 0.015 . 1 . . . . . . . . 5606 1 1026 . 1 1 98 98 GLU HA H 1 4.09 0.015 . 1 . . . . . . . . 5606 1 1027 . 1 1 98 98 GLU CB C 13 29.47 0.015 . 1 . . . . . . . . 5606 1 1028 . 1 1 98 98 GLU HB2 H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 1029 . 1 1 98 98 GLU HB3 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 1030 . 1 1 98 98 GLU CG C 13 36.61 0.015 . 1 . . . . . . . . 5606 1 1031 . 1 1 98 98 GLU HG2 H 1 2.37 0.015 . 1 . . . . . . . . 5606 1 1032 . 1 1 98 98 GLU HG3 H 1 2.31 0.015 . 1 . . . . . . . . 5606 1 1033 . 1 1 98 98 GLU C C 13 176.9 0.015 . 1 . . . . . . . . 5606 1 1034 . 1 1 99 99 ASN N N 15 112.86 0.015 . 1 . . . . . . . . 5606 1 1035 . 1 1 99 99 ASN H H 1 6.96 0.015 . 1 . . . . . . . . 5606 1 1036 . 1 1 99 99 ASN CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 1037 . 1 1 99 99 ASN HA H 1 4.63 0.015 . 1 . . . . . . . . 5606 1 1038 . 1 1 99 99 ASN CB C 13 39.15 0.015 . 1 . . . . . . . . 5606 1 1039 . 1 1 99 99 ASN HB2 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 1040 . 1 1 99 99 ASN HB3 H 1 2.69 0.015 . 1 . . . . . . . . 5606 1 1041 . 1 1 99 99 ASN C C 13 174.6 0.015 . 1 . . . . . . . . 5606 1 1042 . 1 1 100 100 ASN N N 15 112.86 0.015 . 1 . . . . . . . . 5606 1 1043 . 1 1 100 100 ASN H H 1 7.88 0.015 . 1 . . . . . . . . 5606 1 1044 . 1 1 100 100 ASN CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 1045 . 1 1 100 100 ASN HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 1046 . 1 1 100 100 ASN CB C 13 37.11 0.015 . 1 . . . . . . . . 5606 1 1047 . 1 1 100 100 ASN HB2 H 1 2.75 0.015 . 1 . . . . . . . . 5606 1 1048 . 1 1 100 100 ASN HB3 H 1 3.02 0.015 . 1 . . . . . . . . 5606 1 1049 . 1 1 100 100 ASN C C 13 175.7 0.015 . 1 . . . . . . . . 5606 1 1050 . 1 1 101 101 HIS N N 15 121 0.015 . 1 . . . . . . . . 5606 1 1051 . 1 1 101 101 HIS H H 1 8.24 0.015 . 1 . . . . . . . . 5606 1 1052 . 1 1 101 101 HIS CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 1053 . 1 1 101 101 HIS HA H 1 4.72 0.015 . 1 . . . . . . . . 5606 1 1054 . 1 1 101 101 HIS CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 1055 . 1 1 101 101 HIS HB2 H 1 2.95 0.015 . 1 . . . . . . . . 5606 1 1056 . 1 1 101 101 HIS HB3 H 1 2.95 0.015 . 1 . . . . . . . . 5606 1 1057 . 1 1 102 102 PRO CA C 13 64.62 0.015 . 1 . . . . . . . . 5606 1 1058 . 1 1 102 102 PRO HA H 1 4.29 0.015 . 1 . . . . . . . . 5606 1 1059 . 1 1 102 102 PRO CB C 13 32.02 0.015 . 1 . . . . . . . . 5606 1 1060 . 1 1 102 102 PRO HB2 H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 1061 . 1 1 102 102 PRO HB3 H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 1062 . 1 1 102 102 PRO CD C 13 50.68 0.015 . 1 . . . . . . . . 5606 1 1063 . 1 1 102 102 PRO HD2 H 1 3.49 0.015 . 1 . . . . . . . . 5606 1 1064 . 1 1 102 102 PRO HD3 H 1 3.11 0.015 . 1 . . . . . . . . 5606 1 1065 . 1 1 102 102 PRO C C 13 178.2 0.015 . 1 . . . . . . . . 5606 1 1066 . 1 1 103 103 ASN N N 15 121.5 0.015 . 1 . . . . . . . . 5606 1 1067 . 1 1 103 103 ASN H H 1 10.75 0.015 . 1 . . . . . . . . 5606 1 1068 . 1 1 103 103 ASN CA C 13 53.41 0.015 . 1 . . . . . . . . 5606 1 1069 . 1 1 103 103 ASN HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 1070 . 1 1 103 103 ASN CB C 13 39.11 0.015 . 1 . . . . . . . . 5606 1 1071 . 1 1 103 103 ASN HB2 H 1 2.55 0.015 . 1 . . . . . . . . 5606 1 1072 . 1 1 103 103 ASN HB3 H 1 2.82 0.015 . 1 . . . . . . . . 5606 1 1073 . 1 1 103 103 ASN HD21 H 1 6.92 0.015 . 1 . . . . . . . . 5606 1 1074 . 1 1 103 103 ASN HD22 H 1 7.67 0.015 . 1 . . . . . . . . 5606 1 1075 . 1 1 103 103 ASN ND2 N 15 114.6 0.015 . 1 . . . . . . . . 5606 1 1076 . 1 1 103 103 ASN C C 13 173.5 0.015 . 1 . . . . . . . . 5606 1 1077 . 1 1 104 104 PHE N N 15 117.2 0.015 . 1 . . . . . . . . 5606 1 1078 . 1 1 104 104 PHE H H 1 7.87 0.015 . 1 . . . . . . . . 5606 1 1079 . 1 1 104 104 PHE CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 1080 . 1 1 104 104 PHE CB C 13 44.24 0.015 . 1 . . . . . . . . 5606 1 1081 . 1 1 104 104 PHE HD1 H 1 7.4 0.015 . 1 . . . . . . . . 5606 1 1082 . 1 1 104 104 PHE HD2 H 1 7.4 0.015 . 1 . . . . . . . . 5606 1 1083 . 1 1 105 105 PRO CA C 13 62.5 0.015 . 1 . . . . . . . . 5606 1 1084 . 1 1 105 105 PRO HA H 1 4.55 0.015 . 1 . . . . . . . . 5606 1 1085 . 1 1 105 105 PRO CB C 13 32 0.015 . 1 . . . . . . . . 5606 1 1086 . 1 1 105 105 PRO HB2 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 1087 . 1 1 105 105 PRO HB3 H 1 1.82 0.015 . 1 . . . . . . . . 5606 1 1088 . 1 1 105 105 PRO C C 13 177.2 0.015 . 1 . . . . . . . . 5606 1 1089 . 1 1 106 106 ALA N N 15 127.85 0.015 . 1 . . . . . . . . 5606 1 1090 . 1 1 106 106 ALA H H 1 8.57 0.015 . 1 . . . . . . . . 5606 1 1091 . 1 1 106 106 ALA CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 1092 . 1 1 106 106 ALA HA H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 1093 . 1 1 106 106 ALA CB C 13 18.77 0.015 . 1 . . . . . . . . 5606 1 1094 . 1 1 106 106 ALA HB1 H 1 1.45 0.015 . 1 . . . . . . . . 5606 1 1095 . 1 1 106 106 ALA HB2 H 1 1.45 0.015 . 1 . . . . . . . . 5606 1 1096 . 1 1 106 106 ALA HB3 H 1 1.45 0.015 . 1 . . . . . . . . 5606 1 1097 . 1 1 106 106 ALA C C 13 177.3 0.015 . 1 . . . . . . . . 5606 1 1098 . 1 1 107 107 ARG N N 15 121.86 0.015 . 1 . . . . . . . . 5606 1 1099 . 1 1 107 107 ARG H H 1 9.79 0.015 . 1 . . . . . . . . 5606 1 1100 . 1 1 107 107 ARG CA C 13 56.47 0.015 . 1 . . . . . . . . 5606 1 1101 . 1 1 107 107 ARG HA H 1 5.82 0.015 . 1 . . . . . . . . 5606 1 1102 . 1 1 107 107 ARG C C 13 177 0.015 . 1 . . . . . . . . 5606 1 1103 . 1 1 108 108 SER N N 15 120.36 0.015 . 1 . . . . . . . . 5606 1 1104 . 1 1 108 108 SER H H 1 7.45 0.015 . 1 . . . . . . . . 5606 1 1105 . 1 1 108 108 SER CA C 13 58.5 0.015 . 1 . . . . . . . . 5606 1 1106 . 1 1 108 108 SER HA H 1 4.72 0.015 . 1 . . . . . . . . 5606 1 1107 . 1 1 108 108 SER CB C 13 64.64 0.015 . 1 . . . . . . . . 5606 1 1108 . 1 1 108 108 SER HB2 H 1 3.65 0.015 . 1 . . . . . . . . 5606 1 1109 . 1 1 108 108 SER HB3 H 1 3.65 0.015 . 1 . . . . . . . . 5606 1 1110 . 1 1 109 109 CYS CA C 13 56.8 0.015 . 1 . . . . . . . . 5606 1 1111 . 1 1 109 109 CYS HA H 1 5.45 0.015 . 1 . . . . . . . . 5606 1 1112 . 1 1 109 109 CYS CB C 13 29.2 0.015 . 1 . . . . . . . . 5606 1 1113 . 1 1 109 109 CYS HB2 H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 1114 . 1 1 109 109 CYS HB3 H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 1115 . 1 1 109 109 CYS C C 13 175.1 0.015 . 1 . . . . . . . . 5606 1 1116 . 1 1 110 110 VAL N N 15 117.75 0.015 . 1 . . . . . . . . 5606 1 1117 . 1 1 110 110 VAL H H 1 7.85 0.015 . 1 . . . . . . . . 5606 1 1118 . 1 1 110 110 VAL CA C 13 59.1 0.015 . 1 . . . . . . . . 5606 1 1119 . 1 1 110 110 VAL HA H 1 4.35 0.015 . 1 . . . . . . . . 5606 1 1120 . 1 1 110 110 VAL CB C 13 36.09 0.015 . 1 . . . . . . . . 5606 1 1121 . 1 1 110 110 VAL HB H 1 1.69 0.015 . 1 . . . . . . . . 5606 1 1122 . 1 1 110 110 VAL CG1 C 13 20.99 0.015 . 1 . . . . . . . . 5606 1 1123 . 1 1 110 110 VAL HG11 H 1 -0.12 0.015 . 1 . . . . . . . . 5606 1 1124 . 1 1 110 110 VAL HG12 H 1 -0.12 0.015 . 1 . . . . . . . . 5606 1 1125 . 1 1 110 110 VAL HG13 H 1 -0.12 0.015 . 1 . . . . . . . . 5606 1 1126 . 1 1 110 110 VAL CG2 C 13 18.8 0.015 . 1 . . . . . . . . 5606 1 1127 . 1 1 110 110 VAL HG21 H 1 0.42 0.015 . 1 . . . . . . . . 5606 1 1128 . 1 1 110 110 VAL HG22 H 1 0.42 0.015 . 1 . . . . . . . . 5606 1 1129 . 1 1 110 110 VAL HG23 H 1 0.42 0.015 . 1 . . . . . . . . 5606 1 1130 . 1 1 110 110 VAL C C 13 174.7 0.015 . 1 . . . . . . . . 5606 1 1131 . 1 1 111 111 GLU N N 15 122.5 0.015 . 1 . . . . . . . . 5606 1 1132 . 1 1 111 111 GLU H H 1 8.07 0.015 . 1 . . . . . . . . 5606 1 1133 . 1 1 111 111 GLU CA C 13 54.8 0.015 . 1 . . . . . . . . 5606 1 1134 . 1 1 111 111 GLU HA H 1 5.42 0.015 . 1 . . . . . . . . 5606 1 1135 . 1 1 111 111 GLU CB C 13 32 0.015 . 1 . . . . . . . . 5606 1 1136 . 1 1 111 111 GLU HB2 H 1 2.07 0.015 . 1 . . . . . . . . 5606 1 1137 . 1 1 111 111 GLU HB3 H 1 2.07 0.015 . 1 . . . . . . . . 5606 1 1138 . 1 1 112 112 VAL N N 15 119.1 0.015 . 1 . . . . . . . . 5606 1 1139 . 1 1 112 112 VAL H H 1 8.82 0.015 . 1 . . . . . . . . 5606 1 1140 . 1 1 112 112 VAL CA C 13 59.6 0.015 . 1 . . . . . . . . 5606 1 1141 . 1 1 112 112 VAL CB C 13 30.8 0.015 . 1 . . . . . . . . 5606 1 1142 . 1 1 112 112 VAL HB H 1 2.19 0.015 . 1 . . . . . . . . 5606 1 1143 . 1 1 112 112 VAL CG1 C 13 23.8 0.015 . 1 . . . . . . . . 5606 1 1144 . 1 1 112 112 VAL HG11 H 1 0.95 0.015 . 1 . . . . . . . . 5606 1 1145 . 1 1 112 112 VAL HG12 H 1 0.95 0.015 . 1 . . . . . . . . 5606 1 1146 . 1 1 112 112 VAL HG13 H 1 0.95 0.015 . 1 . . . . . . . . 5606 1 1147 . 1 1 112 112 VAL CG2 C 13 18.8 0.015 . 1 . . . . . . . . 5606 1 1148 . 1 1 112 112 VAL HG21 H 1 0.65 0.015 . 1 . . . . . . . . 5606 1 1149 . 1 1 112 112 VAL HG22 H 1 0.65 0.015 . 1 . . . . . . . . 5606 1 1150 . 1 1 112 112 VAL HG23 H 1 0.65 0.015 . 1 . . . . . . . . 5606 1 1151 . 1 1 113 113 ALA N N 15 120.1 0.015 . 1 . . . . . . . . 5606 1 1152 . 1 1 113 113 ALA H H 1 8.12 0.015 . 1 . . . . . . . . 5606 1 1153 . 1 1 113 113 ALA CA C 13 54.94 0.015 . 1 . . . . . . . . 5606 1 1154 . 1 1 113 113 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 1155 . 1 1 113 113 ALA CB C 13 20.81 0.015 . 1 . . . . . . . . 5606 1 1156 . 1 1 113 113 ALA HB1 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 1157 . 1 1 113 113 ALA HB2 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 1158 . 1 1 113 113 ALA HB3 H 1 1.29 0.015 . 1 . . . . . . . . 5606 1 1159 . 1 1 113 113 ALA C C 13 177.8 0.015 . 1 . . . . . . . . 5606 1 1160 . 1 1 114 114 ARG N N 15 114 0.015 . 1 . . . . . . . . 5606 1 1161 . 1 1 114 114 ARG H H 1 7.52 0.015 . 1 . . . . . . . . 5606 1 1162 . 1 1 114 114 ARG CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 1163 . 1 1 114 114 ARG HA H 1 4.13 0.015 . 1 . . . . . . . . 5606 1 1164 . 1 1 114 114 ARG CB C 13 32.52 0.015 . 1 . . . . . . . . 5606 1 1165 . 1 1 114 114 ARG HB2 H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 1166 . 1 1 114 114 ARG HB3 H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 1167 . 1 1 114 114 ARG C C 13 174.2 0.015 . 1 . . . . . . . . 5606 1 1168 . 1 1 115 115 LEU N N 15 125.86 0.015 . 1 . . . . . . . . 5606 1 1169 . 1 1 115 115 LEU H H 1 8.98 0.015 . 1 . . . . . . . . 5606 1 1170 . 1 1 115 115 LEU CA C 13 51.88 0.015 . 1 . . . . . . . . 5606 1 1171 . 1 1 115 115 LEU HA H 1 4.74 0.015 . 1 . . . . . . . . 5606 1 1172 . 1 1 115 115 LEU CB C 13 43.22 0.015 . 1 . . . . . . . . 5606 1 1173 . 1 1 115 115 LEU HB2 H 1 1.6 0.015 . 1 . . . . . . . . 5606 1 1174 . 1 1 115 115 LEU HB3 H 1 1.6 0.015 . 1 . . . . . . . . 5606 1 1175 . 1 1 115 115 LEU CD1 C 13 25.68 0.015 . 1 . . . . . . . . 5606 1 1176 . 1 1 115 115 LEU HD11 H 1 0.63 0.015 . 1 . . . . . . . . 5606 1 1177 . 1 1 115 115 LEU HD12 H 1 0.63 0.015 . 1 . . . . . . . . 5606 1 1178 . 1 1 115 115 LEU HD13 H 1 0.63 0.015 . 1 . . . . . . . . 5606 1 1179 . 1 1 115 115 LEU CD2 C 13 26.6 0.015 . 1 . . . . . . . . 5606 1 1180 . 1 1 115 115 LEU HD21 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 1181 . 1 1 115 115 LEU HD22 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 1182 . 1 1 115 115 LEU HD23 H 1 0.87 0.015 . 1 . . . . . . . . 5606 1 1183 . 1 1 116 116 PRO CA C 13 64 0.015 . 1 . . . . . . . . 5606 1 1184 . 1 1 116 116 PRO HA H 1 4.02 0.015 . 1 . . . . . . . . 5606 1 1185 . 1 1 116 116 PRO CB C 13 32.1 0.015 . 1 . . . . . . . . 5606 1 1186 . 1 1 116 116 PRO HB2 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 1187 . 1 1 116 116 PRO HB3 H 1 2.15 0.015 . 1 . . . . . . . . 5606 1 1188 . 1 1 116 116 PRO CD C 13 51 0.015 . 1 . . . . . . . . 5606 1 1189 . 1 1 116 116 PRO HD2 H 1 3.35 0.015 . 1 . . . . . . . . 5606 1 1190 . 1 1 116 116 PRO HD3 H 1 3.66 0.015 . 1 . . . . . . . . 5606 1 1191 . 1 1 116 116 PRO C C 13 176.2 0.015 . 1 . . . . . . . . 5606 1 1192 . 1 1 117 117 LYS N N 15 114.36 0.015 . 1 . . . . . . . . 5606 1 1193 . 1 1 117 117 LYS H H 1 8.49 0.015 . 1 . . . . . . . . 5606 1 1194 . 1 1 117 117 LYS CA C 13 57.99 0.015 . 1 . . . . . . . . 5606 1 1195 . 1 1 117 117 LYS HA H 1 3.75 0.015 . 1 . . . . . . . . 5606 1 1196 . 1 1 117 117 LYS CB C 13 29.98 0.015 . 1 . . . . . . . . 5606 1 1197 . 1 1 117 117 LYS HB2 H 1 1.89 0.015 . 1 . . . . . . . . 5606 1 1198 . 1 1 117 117 LYS HB3 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 1199 . 1 1 117 117 LYS CG C 13 25.68 0.015 . 1 . . . . . . . . 5606 1 1200 . 1 1 117 117 LYS HG2 H 1 1.38 0.015 . 1 . . . . . . . . 5606 1 1201 . 1 1 117 117 LYS HG3 H 1 1.38 0.015 . 1 . . . . . . . . 5606 1 1202 . 1 1 117 117 LYS CD C 13 29.43 0.015 . 1 . . . . . . . . 5606 1 1203 . 1 1 117 117 LYS HD2 H 1 1.6 0.015 . 1 . . . . . . . . 5606 1 1204 . 1 1 117 117 LYS HD3 H 1 1.53 0.015 . 1 . . . . . . . . 5606 1 1205 . 1 1 117 117 LYS CE C 13 41.62 0.015 . 1 . . . . . . . . 5606 1 1206 . 1 1 117 117 LYS HE2 H 1 3 0.015 . 1 . . . . . . . . 5606 1 1207 . 1 1 117 117 LYS HE3 H 1 3 0.015 . 1 . . . . . . . . 5606 1 1208 . 1 1 117 117 LYS C C 13 176.2 0.015 . 1 . . . . . . . . 5606 1 1209 . 1 1 118 118 ASP N N 15 112.36 0.015 . 1 . . . . . . . . 5606 1 1210 . 1 1 118 118 ASP H H 1 8.64 0.015 . 1 . . . . . . . . 5606 1 1211 . 1 1 118 118 ASP CA C 13 56.98 0.015 . 1 . . . . . . . . 5606 1 1212 . 1 1 118 118 ASP HA H 1 4.69 0.015 . 1 . . . . . . . . 5606 1 1213 . 1 1 118 118 ASP CB C 13 39.15 0.015 . 1 . . . . . . . . 5606 1 1214 . 1 1 118 118 ASP HB2 H 1 2.69 0.015 . 1 . . . . . . . . 5606 1 1215 . 1 1 118 118 ASP HB3 H 1 2.95 0.015 . 1 . . . . . . . . 5606 1 1216 . 1 1 118 118 ASP C C 13 177.1 0.015 . 1 . . . . . . . . 5606 1 1217 . 1 1 119 119 VAL N N 15 108.15 0.015 . 1 . . . . . . . . 5606 1 1218 . 1 1 119 119 VAL H H 1 6.76 0.015 . 1 . . . . . . . . 5606 1 1219 . 1 1 119 119 VAL CA C 13 62.07 0.015 . 1 . . . . . . . . 5606 1 1220 . 1 1 119 119 VAL HA H 1 4.29 0.015 . 1 . . . . . . . . 5606 1 1221 . 1 1 119 119 VAL CB C 13 33.03 0.015 . 1 . . . . . . . . 5606 1 1222 . 1 1 119 119 VAL HB H 1 2.29 0.015 . 1 . . . . . . . . 5606 1 1223 . 1 1 119 119 VAL CG1 C 13 22.24 0.015 . 1 . . . . . . . . 5606 1 1224 . 1 1 119 119 VAL HG11 H 1 1.1 0.015 . 1 . . . . . . . . 5606 1 1225 . 1 1 119 119 VAL HG12 H 1 1.1 0.015 . 1 . . . . . . . . 5606 1 1226 . 1 1 119 119 VAL HG13 H 1 1.1 0.015 . 1 . . . . . . . . 5606 1 1227 . 1 1 119 119 VAL HG21 H 1 0.94 0.015 . 1 . . . . . . . . 5606 1 1228 . 1 1 119 119 VAL HG22 H 1 0.94 0.015 . 1 . . . . . . . . 5606 1 1229 . 1 1 119 119 VAL HG23 H 1 0.94 0.015 . 1 . . . . . . . . 5606 1 1230 . 1 1 119 119 VAL C C 13 176.6 0.015 . 1 . . . . . . . . 5606 1 1231 . 1 1 120 120 GLY N N 15 104.87 0.015 . 1 . . . . . . . . 5606 1 1232 . 1 1 120 120 GLY H H 1 9.23 0.015 . 1 . . . . . . . . 5606 1 1233 . 1 1 120 120 GLY CA C 13 45.77 0.015 . 1 . . . . . . . . 5606 1 1234 . 1 1 120 120 GLY HA2 H 1 3.62 0.015 . 1 . . . . . . . . 5606 1 1235 . 1 1 120 120 GLY HA3 H 1 4.19 0.015 . 1 . . . . . . . . 5606 1 1236 . 1 1 120 120 GLY C C 13 176.15 0.015 . 1 . . . . . . . . 5606 1 1237 . 1 1 121 121 LEU N N 15 115.86 0.015 . 1 . . . . . . . . 5606 1 1238 . 1 1 121 121 LEU H H 1 7.23 0.015 . 1 . . . . . . . . 5606 1 1239 . 1 1 121 121 LEU CA C 13 55.45 0.015 . 1 . . . . . . . . 5606 1 1240 . 1 1 121 121 LEU HA H 1 5.3 0.015 . 1 . . . . . . . . 5606 1 1241 . 1 1 121 121 LEU CB C 13 43.73 0.015 . 1 . . . . . . . . 5606 1 1242 . 1 1 121 121 LEU HB2 H 1 1.62 0.015 . 1 . . . . . . . . 5606 1 1243 . 1 1 121 121 LEU HB3 H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 1244 . 1 1 121 121 LEU HG H 1 1.16 0.015 . 1 . . . . . . . . 5606 1 1245 . 1 1 121 121 LEU CD1 C 13 26.61 0.015 . 1 . . . . . . . . 5606 1 1246 . 1 1 121 121 LEU HD11 H 1 0.88 0.015 . 1 . . . . . . . . 5606 1 1247 . 1 1 121 121 LEU HD12 H 1 0.88 0.015 . 1 . . . . . . . . 5606 1 1248 . 1 1 121 121 LEU HD13 H 1 0.88 0.015 . 1 . . . . . . . . 5606 1 1249 . 1 1 121 121 LEU C C 13 174.4 0.015 . 1 . . . . . . . . 5606 1 1250 . 1 1 122 122 GLU N N 15 117.25 0.015 . 1 . . . . . . . . 5606 1 1251 . 1 1 122 122 GLU H H 1 8.82 0.015 . 1 . . . . . . . . 5606 1 1252 . 1 1 122 122 GLU CA C 13 54.9 0.015 . 1 . . . . . . . . 5606 1 1253 . 1 1 122 122 GLU HA H 1 5 0.015 . 1 . . . . . . . . 5606 1 1254 . 1 1 122 122 GLU CB C 13 33.4 0.015 . 1 . . . . . . . . 5606 1 1255 . 1 1 122 122 GLU HB2 H 1 2.02 0.015 . 1 . . . . . . . . 5606 1 1256 . 1 1 122 122 GLU HB3 H 1 2.35 0.015 . 1 . . . . . . . . 5606 1 1257 . 1 1 122 122 GLU HG2 H 1 2.16 0.015 . 1 . . . . . . . . 5606 1 1258 . 1 1 122 122 GLU HG3 H 1 2.16 0.015 . 1 . . . . . . . . 5606 1 1259 . 1 1 122 122 GLU C C 13 175.7 0.015 . 1 . . . . . . . . 5606 1 1260 . 1 1 123 123 ILE N N 15 123.4 0.015 . 1 . . . . . . . . 5606 1 1261 . 1 1 123 123 ILE H H 1 8.37 0.015 . 1 . . . . . . . . 5606 1 1262 . 1 1 123 123 ILE CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 1263 . 1 1 123 123 ILE HA H 1 5.49 0.015 . 1 . . . . . . . . 5606 1 1264 . 1 1 123 123 ILE CB C 13 42.2 0.015 . 1 . . . . . . . . 5606 1 1265 . 1 1 123 123 ILE HB H 1 1.69 0.015 . 1 . . . . . . . . 5606 1 1266 . 1 1 123 123 ILE CG2 C 13 16.3 0.015 . 1 . . . . . . . . 5606 1 1267 . 1 1 123 123 ILE HG21 H 1 0.96 0.015 . 1 . . . . . . . . 5606 1 1268 . 1 1 123 123 ILE HG22 H 1 0.96 0.015 . 1 . . . . . . . . 5606 1 1269 . 1 1 123 123 ILE HG23 H 1 0.96 0.015 . 1 . . . . . . . . 5606 1 1270 . 1 1 123 123 ILE C C 13 176.1 0.015 . 1 . . . . . . . . 5606 1 1271 . 1 1 124 124 GLU N N 15 125.36 0.015 . 1 . . . . . . . . 5606 1 1272 . 1 1 124 124 GLU H H 1 8.68 0.015 . 1 . . . . . . . . 5606 1 1273 . 1 1 124 124 GLU CA C 13 54.43 0.015 . 1 . . . . . . . . 5606 1 1274 . 1 1 124 124 GLU HA H 1 4.89 0.015 . 1 . . . . . . . . 5606 1 1275 . 1 1 124 124 GLU CB C 13 32.52 0.015 . 1 . . . . . . . . 5606 1 1276 . 1 1 124 124 GLU HB2 H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 1277 . 1 1 124 124 GLU HB3 H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 1278 . 1 1 124 124 GLU CG C 13 35.68 0.015 . 1 . . . . . . . . 5606 1 1279 . 1 1 124 124 GLU HG2 H 1 2.26 0.015 . 1 . . . . . . . . 5606 1 1280 . 1 1 124 124 GLU HG3 H 1 2.26 0.015 . 1 . . . . . . . . 5606 1 1281 . 1 1 124 124 GLU C C 13 176.43 0.015 . 1 . . . . . . . . 5606 1 1282 . 1 1 125 125 ALA N N 15 121.86 0.015 . 1 . . . . . . . . 5606 1 1283 . 1 1 125 125 ALA H H 1 8.04 0.015 . 1 . . . . . . . . 5606 1 1284 . 1 1 125 125 ALA CA C 13 50.86 0.015 . 1 . . . . . . . . 5606 1 1285 . 1 1 125 125 ALA HA H 1 5.65 0.015 . 1 . . . . . . . . 5606 1 1286 . 1 1 125 125 ALA CB C 13 24.88 0.015 . 1 . . . . . . . . 5606 1 1287 . 1 1 125 125 ALA HB1 H 1 1.42 0.015 . 1 . . . . . . . . 5606 1 1288 . 1 1 125 125 ALA HB2 H 1 1.42 0.015 . 1 . . . . . . . . 5606 1 1289 . 1 1 125 125 ALA HB3 H 1 1.42 0.015 . 1 . . . . . . . . 5606 1 1290 . 1 1 125 125 ALA C C 13 176.65 0.015 . 1 . . . . . . . . 5606 1 1291 . 1 1 126 126 ILE N N 15 120.9 0.015 . 1 . . . . . . . . 5606 1 1292 . 1 1 126 126 ILE H H 1 8.9 0.015 . 1 . . . . . . . . 5606 1 1293 . 1 1 126 126 ILE CA C 13 61.05 0.015 . 1 . . . . . . . . 5606 1 1294 . 1 1 126 126 ILE HA H 1 5.15 0.015 . 1 . . . . . . . . 5606 1 1295 . 1 1 126 126 ILE CB C 13 41.18 0.015 . 1 . . . . . . . . 5606 1 1296 . 1 1 126 126 ILE HB H 1 1.69 0.015 . 1 . . . . . . . . 5606 1 1297 . 1 1 126 126 ILE CG1 C 13 27.55 0.015 . 1 . . . . . . . . 5606 1 1298 . 1 1 126 126 ILE HG12 H 1 1.1 0.015 . 1 . . . . . . . . 5606 1 1299 . 1 1 126 126 ILE HG13 H 1 1.7 0.015 . 1 . . . . . . . . 5606 1 1300 . 1 1 126 126 ILE CG2 C 13 17.24 0.015 . 1 . . . . . . . . 5606 1 1301 . 1 1 126 126 ILE HG21 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 1302 . 1 1 126 126 ILE HG22 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 1303 . 1 1 126 126 ILE HG23 H 1 0.83 0.015 . 1 . . . . . . . . 5606 1 1304 . 1 1 126 126 ILE CD1 C 13 13.49 0.015 . 1 . . . . . . . . 5606 1 1305 . 1 1 126 126 ILE HD11 H 1 0.78 0.015 . 1 . . . . . . . . 5606 1 1306 . 1 1 126 126 ILE HD12 H 1 0.78 0.015 . 1 . . . . . . . . 5606 1 1307 . 1 1 126 126 ILE HD13 H 1 0.78 0.015 . 1 . . . . . . . . 5606 1 1308 . 1 1 126 126 ILE C C 13 176.2 0.015 . 1 . . . . . . . . 5606 1 1309 . 1 1 127 127 ALA N N 15 130.35 0.015 . 1 . . . . . . . . 5606 1 1310 . 1 1 127 127 ALA H H 1 9.48 0.015 . 1 . . . . . . . . 5606 1 1311 . 1 1 127 127 ALA CA C 13 49.84 0.015 . 1 . . . . . . . . 5606 1 1312 . 1 1 127 127 ALA HA H 1 5.65 0.015 . 1 . . . . . . . . 5606 1 1313 . 1 1 127 127 ALA CB C 13 23.87 0.015 . 1 . . . . . . . . 5606 1 1314 . 1 1 127 127 ALA HB1 H 1 1.22 0.015 . 1 . . . . . . . . 5606 1 1315 . 1 1 127 127 ALA HB2 H 1 1.22 0.015 . 1 . . . . . . . . 5606 1 1316 . 1 1 127 127 ALA HB3 H 1 1.22 0.015 . 1 . . . . . . . . 5606 1 1317 . 1 1 127 127 ALA C C 13 175.8 0.015 . 1 . . . . . . . . 5606 1 1318 . 1 1 128 128 VAL N N 15 117.86 0.015 . 1 . . . . . . . . 5606 1 1319 . 1 1 128 128 VAL H H 1 8.21 0.015 . 1 . . . . . . . . 5606 1 1320 . 1 1 128 128 VAL CA C 13 59.52 0.015 . 1 . . . . . . . . 5606 1 1321 . 1 1 128 128 VAL HA H 1 5.09 0.015 . 1 . . . . . . . . 5606 1 1322 . 1 1 128 128 VAL CB C 13 36.09 0.015 . 1 . . . . . . . . 5606 1 1323 . 1 1 128 128 VAL HB H 1 1.95 0.015 . 1 . . . . . . . . 5606 1 1324 . 1 1 128 128 VAL CG1 C 13 21.93 0.015 . 1 . . . . . . . . 5606 1 1325 . 1 1 128 128 VAL HG11 H 1 1.03 0.015 . 1 . . . . . . . . 5606 1 1326 . 1 1 128 128 VAL HG12 H 1 1.03 0.015 . 1 . . . . . . . . 5606 1 1327 . 1 1 128 128 VAL HG13 H 1 1.03 0.015 . 1 . . . . . . . . 5606 1 1328 . 1 1 128 128 VAL CG2 C 13 23.4 0.015 . 1 . . . . . . . . 5606 1 1329 . 1 1 128 128 VAL HG21 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 1330 . 1 1 128 128 VAL HG22 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 1331 . 1 1 128 128 VAL HG23 H 1 1.12 0.015 . 1 . . . . . . . . 5606 1 1332 . 1 1 128 128 VAL C C 13 174.2 0.015 . 1 . . . . . . . . 5606 1 1333 . 1 1 129 129 ARG N N 15 127 0.015 . 1 . . . . . . . . 5606 1 1334 . 1 1 129 129 ARG H H 1 8.01 0.015 . 1 . . . . . . . . 5606 1 1335 . 1 1 129 129 ARG CA C 13 55 0.015 . 1 . . . . . . . . 5606 1 1336 . 1 1 129 129 ARG HA H 1 4.51 0.015 . 1 . . . . . . . . 5606 1 1337 . 1 1 129 129 ARG CB C 13 32.52 0.015 . 1 . . . . . . . . 5606 1 1338 . 1 1 129 129 ARG HB2 H 1 1.55 0.015 . 1 . . . . . . . . 5606 1 1339 . 1 1 129 129 ARG HB3 H 1 2.09 0.015 . 1 . . . . . . . . 5606 1 1340 . 1 1 129 129 ARG HG2 H 1 2.58 0.015 . 1 . . . . . . . . 5606 1 1341 . 1 1 129 129 ARG HG3 H 1 2.58 0.015 . 1 . . . . . . . . 5606 1 1342 . 1 1 129 129 ARG C C 13 176.2 0.015 . 1 . . . . . . . . 5606 1 1343 . 1 1 130 130 LYS N N 15 131.85 0.015 . 1 . . . . . . . . 5606 1 1344 . 1 1 130 130 LYS H H 1 8.32 0.015 . 1 . . . . . . . . 5606 1 1345 . 1 1 130 130 LYS CA C 13 58.6 0.015 . 1 . . . . . . . . 5606 1 1346 . 1 1 130 130 LYS HA H 1 4.22 0.015 . 1 . . . . . . . . 5606 1 1347 . 1 1 130 130 LYS CB C 13 33.6 0.015 . 1 . . . . . . . . 5606 1 1348 . 1 1 130 130 LYS HB2 H 1 1.51 0.015 . 1 . . . . . . . . 5606 1 1349 . 1 1 130 130 LYS HB3 H 1 1.8 0.015 . 1 . . . . . . . . 5606 1 1350 . 1 1 130 130 LYS HG2 H 1 1.48 0.015 . 1 . . . . . . . . 5606 1 1351 . 1 1 130 130 LYS HG3 H 1 1.86 0.015 . 1 . . . . . . . . 5606 1 1352 . 1 1 130 130 LYS CD C 13 29.43 0.015 . 1 . . . . . . . . 5606 1 1353 . 1 1 130 130 LYS HD2 H 1 1.77 0.015 . 1 . . . . . . . . 5606 1 1354 . 1 1 130 130 LYS HD3 H 1 1.77 0.015 . 1 . . . . . . . . 5606 1 1355 . 1 1 130 130 LYS CE C 13 42.24 0.015 . 1 . . . . . . . . 5606 1 1356 . 1 1 130 130 LYS HE2 H 1 3.07 0.015 . 1 . . . . . . . . 5606 1 1357 . 1 1 130 130 LYS HE3 H 1 3.07 0.015 . 1 . . . . . . . . 5606 1 1358 . 1 1 130 130 LYS C C 13 175 0.015 . 1 . . . . . . . . 5606 1 stop_ save_