data_17806 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17806 _Entry.Title ; NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-25 _Entry.Accession_date 2011-07-25 _Entry.Last_release_date 2011-08-26 _Entry.Original_release_date 2011-08-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . 17806 2 Michael Geralt . . . 17806 3 Biswaranjan Mohanty . . . 17806 4 Kurt Wuthrich . . . 17806 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17806 . PSI:Biology 'Joint Center for Structural Genomics' . 17806 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Calcium-bound . 17806 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17806 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 532 17806 '15N chemical shifts' 134 17806 '1H chemical shifts' 852 17806 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-26 2011-07-25 original author . 17806 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17799 YP_001302112.1 17806 PDB 2LGE 'BMRB Entry Tracking System' 17806 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17806 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Pedro Serrano . . . 17806 1 2 Michael Geralt . . . 17806 1 3 Biswaranjan Mohanty . . . 17806 1 4 Kurt Wuthrich . . . 17806 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17806 _Assembly.ID 1 _Assembly.Name YP_001302112.1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YP_001302112.1 1 $YP_001302112.1 A . yes native no no . . . 17806 1 2 'Calcium ions' 2 $CA B . no native no no . . . 17806 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YP_001302112.1 _Entity.Sf_category entity _Entity.Sf_framecode YP_001302112.1 _Entity.Entry_ID 17806 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KDDDEPGGKGAMYEVTIEQS GDFRSFIKSVVVVANGTQLK DGATGESLASPVILSDEELA VEKVTLSTTGKAIEFAVSGG VVDGEDGVVNEPMQWVVTVY KNGKEIEKKSLVFRDGKEIS TDDLNLYYN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13807.372 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17799 . entity . . . . . 100.00 200 100.00 100.00 1.42e-83 . . . . 17806 1 2 no PDB 2LG7 . "Nmr Structure Of The Protein Yp_001302112.1 From Parabacteroides Distasonis" . . . . . 99.22 129 100.00 100.00 1.26e-83 . . . . 17806 1 3 no PDB 2LGE . "Nmr Structure Of The Calcium-Bound Form Of The Protein Yp_001302112.1 From Parabacteroides Distasonis" . . . . . 99.22 129 100.00 100.00 1.26e-83 . . . . 17806 1 4 no EMBL CUP04873 . "Uncharacterised protein [Bacteroides vulgatus]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 5 no EMBL CUP86285 . "Uncharacterised protein [Parabacteroides merdae]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 6 no EMBL CUQ25107 . "Uncharacterised protein [Bacteroides thetaiotaomicron]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 7 no GB AAO45318 . "hypothetical protein BT_p548220 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 8 no GB ABR42490 . "conserved hypothetical protein [Parabacteroides distasonis ATCC 8503]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 9 no GB EFG18115 . "conserved hypothetical protein [Bacteroides vulgatus PC510]" . . . . . 100.00 151 99.22 100.00 3.07e-84 . . . . 17806 1 10 no GB EFK63750 . "hypothetical protein HMPREF9008_04638 [Parabacteroides sp. 20_3]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 11 no GB EIY16653 . "hypothetical protein HMPREF1063_05125 [Bacteroides dorei CL02T00C15]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 12 no REF NP_818973 . "hypothetical protein BT_p548220 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 13 no REF WP_005842168 . "peptide chain release factor 2 [Bacteroides vulgatus]" . . . . . 100.00 151 99.22 100.00 3.07e-84 . . . . 17806 1 14 no REF WP_007659490 . "MULTISPECIES: peptide chain release factor 2 [Bacteroidales]" . . . . . 100.00 151 100.00 100.00 6.59e-85 . . . . 17806 1 15 no REF WP_032583709 . "peptide chain release factor 2, partial [Bacteroides fragilis]" . . . . . 93.80 143 99.17 100.00 2.09e-77 . . . . 17806 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 LYS . 17806 1 2 2 ASP . 17806 1 3 3 ASP . 17806 1 4 4 ASP . 17806 1 5 5 GLU . 17806 1 6 6 PRO . 17806 1 7 7 GLY . 17806 1 8 8 GLY . 17806 1 9 9 LYS . 17806 1 10 10 GLY . 17806 1 11 11 ALA . 17806 1 12 12 MET . 17806 1 13 13 TYR . 17806 1 14 14 GLU . 17806 1 15 15 VAL . 17806 1 16 16 THR . 17806 1 17 17 ILE . 17806 1 18 18 GLU . 17806 1 19 19 GLN . 17806 1 20 20 SER . 17806 1 21 21 GLY . 17806 1 22 22 ASP . 17806 1 23 23 PHE . 17806 1 24 24 ARG . 17806 1 25 25 SER . 17806 1 26 26 PHE . 17806 1 27 27 ILE . 17806 1 28 28 LYS . 17806 1 29 29 SER . 17806 1 30 30 VAL . 17806 1 31 31 VAL . 17806 1 32 32 VAL . 17806 1 33 33 VAL . 17806 1 34 34 ALA . 17806 1 35 35 ASN . 17806 1 36 36 GLY . 17806 1 37 37 THR . 17806 1 38 38 GLN . 17806 1 39 39 LEU . 17806 1 40 40 LYS . 17806 1 41 41 ASP . 17806 1 42 42 GLY . 17806 1 43 43 ALA . 17806 1 44 44 THR . 17806 1 45 45 GLY . 17806 1 46 46 GLU . 17806 1 47 47 SER . 17806 1 48 48 LEU . 17806 1 49 49 ALA . 17806 1 50 50 SER . 17806 1 51 51 PRO . 17806 1 52 52 VAL . 17806 1 53 53 ILE . 17806 1 54 54 LEU . 17806 1 55 55 SER . 17806 1 56 56 ASP . 17806 1 57 57 GLU . 17806 1 58 58 GLU . 17806 1 59 59 LEU . 17806 1 60 60 ALA . 17806 1 61 61 VAL . 17806 1 62 62 GLU . 17806 1 63 63 LYS . 17806 1 64 64 VAL . 17806 1 65 65 THR . 17806 1 66 66 LEU . 17806 1 67 67 SER . 17806 1 68 68 THR . 17806 1 69 69 THR . 17806 1 70 70 GLY . 17806 1 71 71 LYS . 17806 1 72 72 ALA . 17806 1 73 73 ILE . 17806 1 74 74 GLU . 17806 1 75 75 PHE . 17806 1 76 76 ALA . 17806 1 77 77 VAL . 17806 1 78 78 SER . 17806 1 79 79 GLY . 17806 1 80 80 GLY . 17806 1 81 81 VAL . 17806 1 82 82 VAL . 17806 1 83 83 ASP . 17806 1 84 84 GLY . 17806 1 85 85 GLU . 17806 1 86 86 ASP . 17806 1 87 87 GLY . 17806 1 88 88 VAL . 17806 1 89 89 VAL . 17806 1 90 90 ASN . 17806 1 91 91 GLU . 17806 1 92 92 PRO . 17806 1 93 93 MET . 17806 1 94 94 GLN . 17806 1 95 95 TRP . 17806 1 96 96 VAL . 17806 1 97 97 VAL . 17806 1 98 98 THR . 17806 1 99 99 VAL . 17806 1 100 100 TYR . 17806 1 101 101 LYS . 17806 1 102 102 ASN . 17806 1 103 103 GLY . 17806 1 104 104 LYS . 17806 1 105 105 GLU . 17806 1 106 106 ILE . 17806 1 107 107 GLU . 17806 1 108 108 LYS . 17806 1 109 109 LYS . 17806 1 110 110 SER . 17806 1 111 111 LEU . 17806 1 112 112 VAL . 17806 1 113 113 PHE . 17806 1 114 114 ARG . 17806 1 115 115 ASP . 17806 1 116 116 GLY . 17806 1 117 117 LYS . 17806 1 118 118 GLU . 17806 1 119 119 ILE . 17806 1 120 120 SER . 17806 1 121 121 THR . 17806 1 122 122 ASP . 17806 1 123 123 ASP . 17806 1 124 124 LEU . 17806 1 125 125 ASN . 17806 1 126 126 LEU . 17806 1 127 127 TYR . 17806 1 128 128 TYR . 17806 1 129 129 ASN . 17806 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 . LYS 1 1 17806 1 . ASP 2 2 17806 1 . ASP 3 3 17806 1 . ASP 4 4 17806 1 . GLU 5 5 17806 1 . PRO 6 6 17806 1 . GLY 7 7 17806 1 . GLY 8 8 17806 1 . LYS 9 9 17806 1 . GLY 10 10 17806 1 . ALA 11 11 17806 1 . MET 12 12 17806 1 . TYR 13 13 17806 1 . GLU 14 14 17806 1 . VAL 15 15 17806 1 . THR 16 16 17806 1 . ILE 17 17 17806 1 . GLU 18 18 17806 1 . GLN 19 19 17806 1 . SER 20 20 17806 1 . GLY 21 21 17806 1 . ASP 22 22 17806 1 . PHE 23 23 17806 1 . ARG 24 24 17806 1 . SER 25 25 17806 1 . PHE 26 26 17806 1 . ILE 27 27 17806 1 . LYS 28 28 17806 1 . SER 29 29 17806 1 . VAL 30 30 17806 1 . VAL 31 31 17806 1 . VAL 32 32 17806 1 . VAL 33 33 17806 1 . ALA 34 34 17806 1 . ASN 35 35 17806 1 . GLY 36 36 17806 1 . THR 37 37 17806 1 . GLN 38 38 17806 1 . LEU 39 39 17806 1 . LYS 40 40 17806 1 . ASP 41 41 17806 1 . GLY 42 42 17806 1 . ALA 43 43 17806 1 . THR 44 44 17806 1 . GLY 45 45 17806 1 . GLU 46 46 17806 1 . SER 47 47 17806 1 . LEU 48 48 17806 1 . ALA 49 49 17806 1 . SER 50 50 17806 1 . PRO 51 51 17806 1 . VAL 52 52 17806 1 . ILE 53 53 17806 1 . LEU 54 54 17806 1 . SER 55 55 17806 1 . ASP 56 56 17806 1 . GLU 57 57 17806 1 . GLU 58 58 17806 1 . LEU 59 59 17806 1 . ALA 60 60 17806 1 . VAL 61 61 17806 1 . GLU 62 62 17806 1 . LYS 63 63 17806 1 . VAL 64 64 17806 1 . THR 65 65 17806 1 . LEU 66 66 17806 1 . SER 67 67 17806 1 . THR 68 68 17806 1 . THR 69 69 17806 1 . GLY 70 70 17806 1 . LYS 71 71 17806 1 . ALA 72 72 17806 1 . ILE 73 73 17806 1 . GLU 74 74 17806 1 . PHE 75 75 17806 1 . ALA 76 76 17806 1 . VAL 77 77 17806 1 . SER 78 78 17806 1 . GLY 79 79 17806 1 . GLY 80 80 17806 1 . VAL 81 81 17806 1 . VAL 82 82 17806 1 . ASP 83 83 17806 1 . GLY 84 84 17806 1 . GLU 85 85 17806 1 . ASP 86 86 17806 1 . GLY 87 87 17806 1 . VAL 88 88 17806 1 . VAL 89 89 17806 1 . ASN 90 90 17806 1 . GLU 91 91 17806 1 . PRO 92 92 17806 1 . MET 93 93 17806 1 . GLN 94 94 17806 1 . TRP 95 95 17806 1 . VAL 96 96 17806 1 . VAL 97 97 17806 1 . THR 98 98 17806 1 . VAL 99 99 17806 1 . TYR 100 100 17806 1 . LYS 101 101 17806 1 . ASN 102 102 17806 1 . GLY 103 103 17806 1 . LYS 104 104 17806 1 . GLU 105 105 17806 1 . ILE 106 106 17806 1 . GLU 107 107 17806 1 . LYS 108 108 17806 1 . LYS 109 109 17806 1 . SER 110 110 17806 1 . LEU 111 111 17806 1 . VAL 112 112 17806 1 . PHE 113 113 17806 1 . ARG 114 114 17806 1 . ASP 115 115 17806 1 . GLY 116 116 17806 1 . LYS 117 117 17806 1 . GLU 118 118 17806 1 . ILE 119 119 17806 1 . SER 120 120 17806 1 . THR 121 121 17806 1 . ASP 122 122 17806 1 . ASP 123 123 17806 1 . LEU 124 124 17806 1 . ASN 125 125 17806 1 . LEU 126 126 17806 1 . TYR 127 127 17806 1 . TYR 128 128 17806 1 . ASN 129 129 17806 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17806 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 17806 2 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 17806 _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 $YP_001302112.1 . 823 organism . 'Parabacteroides distasonis' 'Parabacteroides distasonis' . . Bacteria . Parabacteroides distasonis . . . . . . . . . . . . . . . . . . . . . 17806 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 17806 _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 $YP_001302112.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pSpeedET . . . . . . 17806 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17806 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 17:56:14 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 17806 CA [Ca++] SMILES CACTVS 3.341 17806 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17806 CA [Ca+2] SMILES ACDLabs 10.04 17806 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17806 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17806 CA InChI=1S/Ca/q+2 InChI InChI 1.03 17806 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17806 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17806 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17806 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17806 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YP_001302112.1 '[U-98% 13C; U-98% 15N]' . . 1 $YP_001302112.1 . . 1.2 . . mM . . . . 17806 1 2 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17806 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17806 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17806 1 5 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 17806 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17806 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17806 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17806 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.145 . M 17806 1 pH 6.0 . pH 17806 1 pressure 1 . atm 17806 1 temperature 298 . K 17806 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17806 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 17806 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17806 1 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 17806 _Software.ID 2 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17806 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17806 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17806 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17806 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17806 3 'data analysis' 17806 3 processing 17806 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17806 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17806 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17806 4 'data analysis' 17806 4 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 17806 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17806 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17806 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17806 1 2 spectrometer_2 Bruker Avance . 800 . . . 17806 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 17806 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 5 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 6 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17806 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17806 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . 17806 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17806 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 17806 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17806 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17806 1 2 '3D 1H-15N NOESY' . . . 17806 1 3 '3D 1H-13C NOESY aliphatic' . . . 17806 1 4 '3D 1H-13C NOESY aromatic' . . . 17806 1 5 '5D APSY CBCACONH' . . . 17806 1 6 '4D APSY HACANH' . . . 17806 1 7 '5D APSY HACACONH' . . . 17806 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 LYS HB2 H 1 3.819 0.025 . 2 . . . A 1 LYS HB2 . 17806 1 2 . 1 1 1 1 LYS HB3 H 1 3.819 0.025 . 2 . . . A 1 LYS HB3 . 17806 1 3 . 1 1 1 1 LYS C C 13 167.867 0.16 . 1 . . . A 1 LYS C . 17806 1 4 . 1 1 1 1 LYS CA C 13 40.726 0.16 . 1 . . . A 1 LYS CA . 17806 1 5 . 1 1 2 2 ASP H H 1 8.626 0.025 . 1 . . . A 2 ASP H . 17806 1 6 . 1 1 2 2 ASP HA H 1 4.516 0.025 . 1 . . . A 2 ASP HA . 17806 1 7 . 1 1 2 2 ASP C C 13 173.464 0.16 . 1 . . . A 2 ASP C . 17806 1 8 . 1 1 2 2 ASP CA C 13 52.531 0.16 . 1 . . . A 2 ASP CA . 17806 1 9 . 1 1 2 2 ASP CB C 13 38.330 0.16 . 1 . . . A 2 ASP CB . 17806 1 10 . 1 1 2 2 ASP N N 15 120.661 0.12 . 1 . . . A 2 ASP N . 17806 1 11 . 1 1 3 3 ASP H H 1 8.424 0.025 . 1 . . . A 3 ASP H . 17806 1 12 . 1 1 3 3 ASP HA H 1 4.509 0.025 . 1 . . . A 3 ASP HA . 17806 1 13 . 1 1 3 3 ASP HB2 H 1 2.529 0.025 . 2 . . . A 3 ASP HB2 . 17806 1 14 . 1 1 3 3 ASP HB3 H 1 2.615 0.025 . 2 . . . A 3 ASP HB3 . 17806 1 15 . 1 1 3 3 ASP C C 13 173.159 0.16 . 1 . . . A 3 ASP C . 17806 1 16 . 1 1 3 3 ASP CA C 13 51.682 0.16 . 1 . . . A 3 ASP CA . 17806 1 17 . 1 1 3 3 ASP CB C 13 38.112 0.16 . 1 . . . A 3 ASP CB . 17806 1 18 . 1 1 3 3 ASP N N 15 119.152 0.12 . 1 . . . A 3 ASP N . 17806 1 19 . 1 1 4 4 ASP H H 1 7.998 0.025 . 1 . . . A 4 ASP H . 17806 1 20 . 1 1 4 4 ASP HA H 1 4.474 0.025 . 1 . . . A 4 ASP HA . 17806 1 21 . 1 1 4 4 ASP HB2 H 1 2.546 0.025 . 2 . . . A 4 ASP HB2 . 17806 1 22 . 1 1 4 4 ASP HB3 H 1 2.585 0.025 . 2 . . . A 4 ASP HB3 . 17806 1 23 . 1 1 4 4 ASP CA C 13 54.422 0.16 . 1 . . . A 4 ASP CA . 17806 1 24 . 1 1 4 4 ASP CB C 13 38.298 0.16 . 1 . . . A 4 ASP CB . 17806 1 25 . 1 1 4 4 ASP N N 15 119.647 0.12 . 1 . . . A 4 ASP N . 17806 1 26 . 1 1 5 5 GLU H H 1 8.101 0.025 . 1 . . . A 5 GLU H . 17806 1 27 . 1 1 5 5 GLU HA H 1 4.944 0.025 . 1 . . . A 5 GLU HA . 17806 1 28 . 1 1 5 5 GLU HB2 H 1 1.900 0.025 . 2 . . . A 5 GLU HB2 . 17806 1 29 . 1 1 5 5 GLU HB3 H 1 1.900 0.025 . 2 . . . A 5 GLU HB3 . 17806 1 30 . 1 1 5 5 GLU CA C 13 50.777 0.16 . 1 . . . A 5 GLU CA . 17806 1 31 . 1 1 5 5 GLU CB C 13 29.592 0.16 . 1 . . . A 5 GLU CB . 17806 1 32 . 1 1 5 5 GLU N N 15 121.980 0.12 . 1 . . . A 5 GLU N . 17806 1 33 . 1 1 6 6 PRO HA H 1 4.334 0.025 . 1 . . . A 6 PRO HA . 17806 1 34 . 1 1 6 6 PRO HB2 H 1 2.219 0.025 . 2 . . . A 6 PRO HB2 . 17806 1 35 . 1 1 6 6 PRO HB3 H 1 1.860 0.025 . 2 . . . A 6 PRO HB3 . 17806 1 36 . 1 1 6 6 PRO HG2 H 1 1.969 0.025 . 2 . . . A 6 PRO HG2 . 17806 1 37 . 1 1 6 6 PRO HG3 H 1 1.969 0.025 . 2 . . . A 6 PRO HG3 . 17806 1 38 . 1 1 6 6 PRO HD2 H 1 3.722 0.025 . 2 . . . A 6 PRO HD2 . 17806 1 39 . 1 1 6 6 PRO C C 13 174.368 0.16 . 1 . . . A 6 PRO C . 17806 1 40 . 1 1 6 6 PRO CA C 13 60.790 0.16 . 1 . . . A 6 PRO CA . 17806 1 41 . 1 1 6 6 PRO CB C 13 29.086 0.16 . 1 . . . A 6 PRO CB . 17806 1 42 . 1 1 6 6 PRO CG C 13 24.782 0.16 . 1 . . . A 6 PRO CG . 17806 1 43 . 1 1 6 6 PRO CD C 13 47.775 0.16 . 1 . . . A 6 PRO CD . 17806 1 44 . 1 1 7 7 GLY H H 1 8.529 0.025 . 1 . . . A 7 GLY H . 17806 1 45 . 1 1 7 7 GLY HA2 H 1 3.896 0.025 . 2 . . . A 7 GLY HA2 . 17806 1 46 . 1 1 7 7 GLY HA3 H 1 3.896 0.025 . 2 . . . A 7 GLY HA3 . 17806 1 47 . 1 1 7 7 GLY C C 13 172.005 0.16 . 1 . . . A 7 GLY C . 17806 1 48 . 1 1 7 7 GLY CA C 13 42.661 0.16 . 1 . . . A 7 GLY CA . 17806 1 49 . 1 1 7 7 GLY N N 15 109.549 0.12 . 1 . . . A 7 GLY N . 17806 1 50 . 1 1 8 8 GLY H H 1 8.144 0.025 . 1 . . . A 8 GLY H . 17806 1 51 . 1 1 8 8 GLY HA2 H 1 3.912 0.025 . 2 . . . A 8 GLY HA2 . 17806 1 52 . 1 1 8 8 GLY C C 13 171.426 0.16 . 1 . . . A 8 GLY C . 17806 1 53 . 1 1 8 8 GLY CA C 13 42.668 0.16 . 1 . . . A 8 GLY CA . 17806 1 54 . 1 1 8 8 GLY N N 15 108.461 0.12 . 1 . . . A 8 GLY N . 17806 1 55 . 1 1 9 9 LYS H H 1 8.089 0.025 . 1 . . . A 9 LYS H . 17806 1 56 . 1 1 9 9 LYS HA H 1 4.309 0.025 . 1 . . . A 9 LYS HA . 17806 1 57 . 1 1 9 9 LYS HB2 H 1 1.765 0.025 . 2 . . . A 9 LYS HB2 . 17806 1 58 . 1 1 9 9 LYS HB3 H 1 1.628 0.025 . 2 . . . A 9 LYS HB3 . 17806 1 59 . 1 1 9 9 LYS C C 13 173.573 0.16 . 1 . . . A 9 LYS C . 17806 1 60 . 1 1 9 9 LYS CA C 13 53.171 0.16 . 1 . . . A 9 LYS CA . 17806 1 61 . 1 1 9 9 LYS CB C 13 31.041 0.16 . 1 . . . A 9 LYS CB . 17806 1 62 . 1 1 9 9 LYS N N 15 119.936 0.12 . 1 . . . A 9 LYS N . 17806 1 63 . 1 1 10 10 GLY H H 1 8.330 0.025 . 1 . . . A 10 GLY H . 17806 1 64 . 1 1 10 10 GLY HA2 H 1 3.986 0.025 . 2 . . . A 10 GLY HA2 . 17806 1 65 . 1 1 10 10 GLY C C 13 170.173 0.16 . 1 . . . A 10 GLY C . 17806 1 66 . 1 1 10 10 GLY CA C 13 41.976 0.16 . 1 . . . A 10 GLY CA . 17806 1 67 . 1 1 10 10 GLY N N 15 107.507 0.12 . 1 . . . A 10 GLY N . 17806 1 68 . 1 1 11 11 ALA H H 1 8.177 0.025 . 1 . . . A 11 ALA H . 17806 1 69 . 1 1 11 11 ALA HA H 1 4.510 0.025 . 1 . . . A 11 ALA HA . 17806 1 70 . 1 1 11 11 ALA HB1 H 1 0.899 0.025 . . . . . A 11 ALA HB1 . 17806 1 71 . 1 1 11 11 ALA HB2 H 1 0.899 0.025 . . . . . A 11 ALA HB2 . 17806 1 72 . 1 1 11 11 ALA HB3 H 1 0.899 0.025 . . . . . A 11 ALA HB3 . 17806 1 73 . 1 1 11 11 ALA C C 13 172.113 0.16 . 1 . . . A 11 ALA C . 17806 1 74 . 1 1 11 11 ALA CA C 13 47.991 0.16 . 1 . . . A 11 ALA CA . 17806 1 75 . 1 1 11 11 ALA CB C 13 20.280 0.16 . 1 . . . A 11 ALA CB . 17806 1 76 . 1 1 11 11 ALA N N 15 121.186 0.12 . 1 . . . A 11 ALA N . 17806 1 77 . 1 1 12 12 MET H H 1 7.708 0.025 . 1 . . . A 12 MET H . 17806 1 78 . 1 1 12 12 MET HA H 1 4.414 0.025 . 1 . . . A 12 MET HA . 17806 1 79 . 1 1 12 12 MET HB2 H 1 1.709 0.025 . 2 . . . A 12 MET HB2 . 17806 1 80 . 1 1 12 12 MET HB3 H 1 1.906 0.025 . 2 . . . A 12 MET HB3 . 17806 1 81 . 1 1 12 12 MET HG2 H 1 2.383 0.025 . 2 . . . A 12 MET HG2 . 17806 1 82 . 1 1 12 12 MET HG3 H 1 2.151 0.025 . 2 . . . A 12 MET HG3 . 17806 1 83 . 1 1 12 12 MET HE1 H 1 1.797 0.025 . . . . . A 12 MET HE1 . 17806 1 84 . 1 1 12 12 MET HE2 H 1 1.797 0.025 . . . . . A 12 MET HE2 . 17806 1 85 . 1 1 12 12 MET HE3 H 1 1.797 0.025 . . . . . A 12 MET HE3 . 17806 1 86 . 1 1 12 12 MET C C 13 173.091 0.16 . 1 . . . A 12 MET C . 17806 1 87 . 1 1 12 12 MET CA C 13 51.481 0.16 . 1 . . . A 12 MET CA . 17806 1 88 . 1 1 12 12 MET CB C 13 29.836 0.16 . 1 . . . A 12 MET CB . 17806 1 89 . 1 1 12 12 MET CG C 13 29.443 0.16 . 1 . . . A 12 MET CG . 17806 1 90 . 1 1 12 12 MET CE C 13 14.140 0.16 . 1 . . . A 12 MET CE . 17806 1 91 . 1 1 12 12 MET N N 15 118.348 0.12 . 1 . . . A 12 MET N . 17806 1 92 . 1 1 13 13 TYR H H 1 8.075 0.025 . 1 . . . A 13 TYR H . 17806 1 93 . 1 1 13 13 TYR HA H 1 5.315 0.025 . 1 . . . A 13 TYR HA . 17806 1 94 . 1 1 13 13 TYR HB2 H 1 1.269 0.025 . 2 . . . A 13 TYR HB2 . 17806 1 95 . 1 1 13 13 TYR HB3 H 1 1.269 0.025 . 2 . . . A 13 TYR HB3 . 17806 1 96 . 1 1 13 13 TYR HD1 H 1 6.761 0.025 . 3 . . . A 13 TYR HD1 . 17806 1 97 . 1 1 13 13 TYR HD2 H 1 6.761 0.025 . 3 . . . A 13 TYR HD2 . 17806 1 98 . 1 1 13 13 TYR HE1 H 1 6.513 0.025 . 3 . . . A 13 TYR HE1 . 17806 1 99 . 1 1 13 13 TYR HE2 H 1 6.513 0.025 . 3 . . . A 13 TYR HE2 . 17806 1 100 . 1 1 13 13 TYR C C 13 172.548 0.16 . 1 . . . A 13 TYR C . 17806 1 101 . 1 1 13 13 TYR CA C 13 53.734 0.16 . 1 . . . A 13 TYR CA . 17806 1 102 . 1 1 13 13 TYR CB C 13 39.228 0.16 . 1 . . . A 13 TYR CB . 17806 1 103 . 1 1 13 13 TYR CD1 C 13 128.176 0.16 . 3 . . . A 13 TYR CD1 . 17806 1 104 . 1 1 13 13 TYR CD2 C 13 128.176 0.16 . 3 . . . A 13 TYR CD2 . 17806 1 105 . 1 1 13 13 TYR CE1 C 13 112.575 0.16 . 3 . . . A 13 TYR CE1 . 17806 1 106 . 1 1 13 13 TYR CE2 C 13 112.575 0.16 . 3 . . . A 13 TYR CE2 . 17806 1 107 . 1 1 13 13 TYR N N 15 118.821 0.12 . 1 . . . A 13 TYR N . 17806 1 108 . 1 1 14 14 GLU H H 1 8.465 0.025 . 1 . . . A 14 GLU H . 17806 1 109 . 1 1 14 14 GLU HA H 1 5.025 0.025 . 1 . . . A 14 GLU HA . 17806 1 110 . 1 1 14 14 GLU HB2 H 1 1.727 0.025 . 2 . . . A 14 GLU HB2 . 17806 1 111 . 1 1 14 14 GLU HB3 H 1 1.856 0.025 . 2 . . . A 14 GLU HB3 . 17806 1 112 . 1 1 14 14 GLU HG2 H 1 2.122 0.025 . 2 . . . A 14 GLU HG2 . 17806 1 113 . 1 1 14 14 GLU HG3 H 1 1.850 0.025 . 2 . . . A 14 GLU HG3 . 17806 1 114 . 1 1 14 14 GLU C C 13 170.538 0.16 . 1 . . . A 14 GLU C . 17806 1 115 . 1 1 14 14 GLU CA C 13 51.901 0.16 . 1 . . . A 14 GLU CA . 17806 1 116 . 1 1 14 14 GLU CB C 13 31.010 0.16 . 1 . . . A 14 GLU CB . 17806 1 117 . 1 1 14 14 GLU CG C 13 33.055 0.16 . 1 . . . A 14 GLU CG . 17806 1 118 . 1 1 14 14 GLU N N 15 121.324 0.12 . 1 . . . A 14 GLU N . 17806 1 119 . 1 1 15 15 VAL H H 1 9.443 0.025 . 1 . . . A 15 VAL H . 17806 1 120 . 1 1 15 15 VAL HA H 1 5.867 0.025 . 1 . . . A 15 VAL HA . 17806 1 121 . 1 1 15 15 VAL HB H 1 2.068 0.025 . 1 . . . A 15 VAL HB . 17806 1 122 . 1 1 15 15 VAL HG11 H 1 0.848 0.025 . . . . . A 15 VAL HG11 . 17806 1 123 . 1 1 15 15 VAL HG12 H 1 0.848 0.025 . . . . . A 15 VAL HG12 . 17806 1 124 . 1 1 15 15 VAL HG13 H 1 0.848 0.025 . . . . . A 15 VAL HG13 . 17806 1 125 . 1 1 15 15 VAL HG21 H 1 1.039 0.025 . . . . . A 15 VAL HG21 . 17806 1 126 . 1 1 15 15 VAL HG22 H 1 1.039 0.025 . . . . . A 15 VAL HG22 . 17806 1 127 . 1 1 15 15 VAL HG23 H 1 1.039 0.025 . . . . . A 15 VAL HG23 . 17806 1 128 . 1 1 15 15 VAL C C 13 169.568 0.16 . 1 . . . A 15 VAL C . 17806 1 129 . 1 1 15 15 VAL CA C 13 55.198 0.16 . 1 . . . A 15 VAL CA . 17806 1 130 . 1 1 15 15 VAL CB C 13 32.804 0.16 . 1 . . . A 15 VAL CB . 17806 1 131 . 1 1 15 15 VAL CG1 C 13 19.798 0.16 . 2 . . . A 15 VAL CG1 . 17806 1 132 . 1 1 15 15 VAL CG2 C 13 17.096 0.16 . 2 . . . A 15 VAL CG2 . 17806 1 133 . 1 1 15 15 VAL N N 15 123.502 0.12 . 1 . . . A 15 VAL N . 17806 1 134 . 1 1 16 16 THR H H 1 9.124 0.025 . 1 . . . A 16 THR H . 17806 1 135 . 1 1 16 16 THR HA H 1 5.397 0.025 . 1 . . . A 16 THR HA . 17806 1 136 . 1 1 16 16 THR HB H 1 3.923 0.025 . 1 . . . A 16 THR HB . 17806 1 137 . 1 1 16 16 THR HG21 H 1 1.164 0.025 . . . . . A 16 THR HG21 . 17806 1 138 . 1 1 16 16 THR HG22 H 1 1.164 0.025 . . . . . A 16 THR HG22 . 17806 1 139 . 1 1 16 16 THR HG23 H 1 1.164 0.025 . . . . . A 16 THR HG23 . 17806 1 140 . 1 1 16 16 THR C C 13 170.891 0.16 . 1 . . . A 16 THR C . 17806 1 141 . 1 1 16 16 THR CA C 13 56.252 0.16 . 1 . . . A 16 THR CA . 17806 1 142 . 1 1 16 16 THR CB C 13 68.930 0.16 . 1 . . . A 16 THR CB . 17806 1 143 . 1 1 16 16 THR CG2 C 13 19.232 0.16 . 1 . . . A 16 THR CG2 . 17806 1 144 . 1 1 16 16 THR N N 15 118.576 0.12 . 1 . . . A 16 THR N . 17806 1 145 . 1 1 17 17 ILE H H 1 9.023 0.025 . 1 . . . A 17 ILE H . 17806 1 146 . 1 1 17 17 ILE HA H 1 4.290 0.025 . 1 . . . A 17 ILE HA . 17806 1 147 . 1 1 17 17 ILE HB H 1 1.240 0.025 . 1 . . . A 17 ILE HB . 17806 1 148 . 1 1 17 17 ILE HG12 H 1 0.414 0.025 . . . . . A 17 ILE HG12 . 17806 1 149 . 1 1 17 17 ILE HG13 H 1 0.414 0.025 . . . . . A 17 ILE HG13 . 17806 1 150 . 1 1 17 17 ILE HG21 H 1 0.146 0.025 . . . . . A 17 ILE HG21 . 17806 1 151 . 1 1 17 17 ILE HG22 H 1 0.146 0.025 . . . . . A 17 ILE HG22 . 17806 1 152 . 1 1 17 17 ILE HG23 H 1 0.146 0.025 . . . . . A 17 ILE HG23 . 17806 1 153 . 1 1 17 17 ILE HD11 H 1 -0.305 0.025 . . . . . A 17 ILE HD11 . 17806 1 154 . 1 1 17 17 ILE HD12 H 1 -0.305 0.025 . . . . . A 17 ILE HD12 . 17806 1 155 . 1 1 17 17 ILE HD13 H 1 -0.305 0.025 . . . . . A 17 ILE HD13 . 17806 1 156 . 1 1 17 17 ILE C C 13 171.474 0.16 . 1 . . . A 17 ILE C . 17806 1 157 . 1 1 17 17 ILE CA C 13 58.186 0.16 . 1 . . . A 17 ILE CA . 17806 1 158 . 1 1 17 17 ILE CB C 13 37.602 0.16 . 1 . . . A 17 ILE CB . 17806 1 159 . 1 1 17 17 ILE CG1 C 13 25.012 0.16 . 1 . . . A 17 ILE CG1 . 17806 1 160 . 1 1 17 17 ILE CG2 C 13 11.330 0.16 . 1 . . . A 17 ILE CG2 . 17806 1 161 . 1 1 17 17 ILE CD1 C 13 13.019 0.16 . 1 . . . A 17 ILE CD1 . 17806 1 162 . 1 1 17 17 ILE N N 15 124.351 0.12 . 1 . . . A 17 ILE N . 17806 1 163 . 1 1 18 18 GLU H H 1 8.602 0.025 . 1 . . . A 18 GLU H . 17806 1 164 . 1 1 18 18 GLU HA H 1 4.944 0.025 . 1 . . . A 18 GLU HA . 17806 1 165 . 1 1 18 18 GLU HB2 H 1 1.890 0.025 . 2 . . . A 18 GLU HB2 . 17806 1 166 . 1 1 18 18 GLU HB3 H 1 2.039 0.025 . 2 . . . A 18 GLU HB3 . 17806 1 167 . 1 1 18 18 GLU HG2 H 1 1.992 0.025 . 2 . . . A 18 GLU HG2 . 17806 1 168 . 1 1 18 18 GLU HG3 H 1 2.029 0.025 . 2 . . . A 18 GLU HG3 . 17806 1 169 . 1 1 18 18 GLU C C 13 173.320 0.16 . 1 . . . A 18 GLU C . 17806 1 170 . 1 1 18 18 GLU CA C 13 51.877 0.16 . 1 . . . A 18 GLU CA . 17806 1 171 . 1 1 18 18 GLU CB C 13 29.789 0.16 . 1 . . . A 18 GLU CB . 17806 1 172 . 1 1 18 18 GLU CG C 13 34.840 0.16 . 1 . . . A 18 GLU CG . 17806 1 173 . 1 1 18 18 GLU N N 15 125.259 0.12 . 1 . . . A 18 GLU N . 17806 1 174 . 1 1 19 19 GLN H H 1 9.418 0.025 . 1 . . . A 19 GLN H . 17806 1 175 . 1 1 19 19 GLN HA H 1 5.499 0.025 . 1 . . . A 19 GLN HA . 17806 1 176 . 1 1 19 19 GLN HB2 H 1 1.241 0.025 . 2 . . . A 19 GLN HB2 . 17806 1 177 . 1 1 19 19 GLN HB3 H 1 0.756 0.025 . 2 . . . A 19 GLN HB3 . 17806 1 178 . 1 1 19 19 GLN HG2 H 1 1.595 0.025 . 2 . . . A 19 GLN HG2 . 17806 1 179 . 1 1 19 19 GLN HG3 H 1 1.595 0.025 . 2 . . . A 19 GLN HG3 . 17806 1 180 . 1 1 19 19 GLN HE21 H 1 6.838 0.025 . 2 . . . A 19 GLN HE21 . 17806 1 181 . 1 1 19 19 GLN HE22 H 1 7.126 0.025 . 2 . . . A 19 GLN HE22 . 17806 1 182 . 1 1 19 19 GLN C C 13 171.992 0.16 . 1 . . . A 19 GLN C . 17806 1 183 . 1 1 19 19 GLN CA C 13 51.255 0.16 . 1 . . . A 19 GLN CA . 17806 1 184 . 1 1 19 19 GLN CB C 13 29.685 0.16 . 1 . . . A 19 GLN CB . 17806 1 185 . 1 1 19 19 GLN CG C 13 32.616 0.16 . 1 . . . A 19 GLN CG . 17806 1 186 . 1 1 19 19 GLN N N 15 123.950 0.12 . 1 . . . A 19 GLN N . 17806 1 187 . 1 1 19 19 GLN NE2 N 15 112.127 0.12 . 1 . . . A 19 GLN NE2 . 17806 1 188 . 1 1 20 20 SER H H 1 8.954 0.025 . 1 . . . A 20 SER H . 17806 1 189 . 1 1 20 20 SER HA H 1 4.930 0.025 . 1 . . . A 20 SER HA . 17806 1 190 . 1 1 20 20 SER HB2 H 1 3.916 0.025 . 2 . . . A 20 SER HB2 . 17806 1 191 . 1 1 20 20 SER HB3 H 1 4.043 0.025 . 2 . . . A 20 SER HB3 . 17806 1 192 . 1 1 20 20 SER C C 13 172.362 0.16 . 1 . . . A 20 SER C . 17806 1 193 . 1 1 20 20 SER CA C 13 54.843 0.16 . 1 . . . A 20 SER CA . 17806 1 194 . 1 1 20 20 SER CB C 13 62.541 0.16 . 1 . . . A 20 SER CB . 17806 1 195 . 1 1 20 20 SER N N 15 114.358 0.12 . 1 . . . A 20 SER N . 17806 1 196 . 1 1 21 21 GLY H H 1 9.006 0.025 . 1 . . . A 21 GLY H . 17806 1 197 . 1 1 21 21 GLY HA2 H 1 3.952 0.025 . 2 . . . A 21 GLY HA2 . 17806 1 198 . 1 1 21 21 GLY HA3 H 1 4.469 0.025 . 2 . . . A 21 GLY HA3 . 17806 1 199 . 1 1 21 21 GLY C C 13 173.531 0.16 . 1 . . . A 21 GLY C . 17806 1 200 . 1 1 21 21 GLY CA C 13 42.969 0.16 . 1 . . . A 21 GLY CA . 17806 1 201 . 1 1 21 21 GLY N N 15 109.346 0.12 . 1 . . . A 21 GLY N . 17806 1 202 . 1 1 22 22 ASP H H 1 8.273 0.025 . 1 . . . A 22 ASP H . 17806 1 203 . 1 1 22 22 ASP HA H 1 4.942 0.025 . 1 . . . A 22 ASP HA . 17806 1 204 . 1 1 22 22 ASP HB2 H 1 2.411 0.025 . 2 . . . A 22 ASP HB2 . 17806 1 205 . 1 1 22 22 ASP HB3 H 1 3.196 0.025 . 2 . . . A 22 ASP HB3 . 17806 1 206 . 1 1 22 22 ASP C C 13 175.379 0.16 . 1 . . . A 22 ASP C . 17806 1 207 . 1 1 22 22 ASP CA C 13 50.620 0.16 . 1 . . . A 22 ASP CA . 17806 1 208 . 1 1 22 22 ASP CB C 13 36.409 0.16 . 1 . . . A 22 ASP CB . 17806 1 209 . 1 1 22 22 ASP N N 15 126.409 0.12 . 1 . . . A 22 ASP N . 17806 1 210 . 1 1 23 23 PHE H H 1 7.833 0.025 . 1 . . . A 23 PHE H . 17806 1 211 . 1 1 23 23 PHE HA H 1 4.969 0.025 . 1 . . . A 23 PHE HA . 17806 1 212 . 1 1 23 23 PHE HB2 H 1 3.124 0.025 . 2 . . . A 23 PHE HB2 . 17806 1 213 . 1 1 23 23 PHE HB3 H 1 2.750 0.025 . 2 . . . A 23 PHE HB3 . 17806 1 214 . 1 1 23 23 PHE HD1 H 1 6.875 0.025 . 3 . . . A 23 PHE HD1 . 17806 1 215 . 1 1 23 23 PHE HD2 H 1 6.875 0.025 . 3 . . . A 23 PHE HD2 . 17806 1 216 . 1 1 23 23 PHE HE1 H 1 7.218 0.025 . 3 . . . A 23 PHE HE1 . 17806 1 217 . 1 1 23 23 PHE HE2 H 1 7.218 0.025 . 3 . . . A 23 PHE HE2 . 17806 1 218 . 1 1 23 23 PHE C C 13 175.193 0.16 . 1 . . . A 23 PHE C . 17806 1 219 . 1 1 23 23 PHE CA C 13 57.350 0.16 . 1 . . . A 23 PHE CA . 17806 1 220 . 1 1 23 23 PHE CB C 13 36.328 0.16 . 1 . . . A 23 PHE CB . 17806 1 221 . 1 1 23 23 PHE CD1 C 13 127.478 0.16 . 3 . . . A 23 PHE CD1 . 17806 1 222 . 1 1 23 23 PHE CD2 C 13 127.485 0.16 . 3 . . . A 23 PHE CD2 . 17806 1 223 . 1 1 23 23 PHE CE1 C 13 127.470 0.16 . 3 . . . A 23 PHE CE1 . 17806 1 224 . 1 1 23 23 PHE CE2 C 13 127.470 0.16 . 3 . . . A 23 PHE CE2 . 17806 1 225 . 1 1 23 23 PHE N N 15 116.268 0.12 . 1 . . . A 23 PHE N . 17806 1 226 . 1 1 24 24 ARG H H 1 8.103 0.025 . 1 . . . A 24 ARG H . 17806 1 227 . 1 1 24 24 ARG HA H 1 3.950 0.025 . 1 . . . A 24 ARG HA . 17806 1 228 . 1 1 24 24 ARG HB2 H 1 1.741 0.025 . 2 . . . A 24 ARG HB2 . 17806 1 229 . 1 1 24 24 ARG HB3 H 1 1.475 0.025 . 2 . . . A 24 ARG HB3 . 17806 1 230 . 1 1 24 24 ARG HG2 H 1 1.202 0.025 . 2 . . . A 24 ARG HG2 . 17806 1 231 . 1 1 24 24 ARG HG3 H 1 0.894 0.025 . 2 . . . A 24 ARG HG3 . 17806 1 232 . 1 1 24 24 ARG HD2 H 1 2.870 0.025 . 2 . . . A 24 ARG HD2 . 17806 1 233 . 1 1 24 24 ARG HD3 H 1 3.060 0.025 . 2 . . . A 24 ARG HD3 . 17806 1 234 . 1 1 24 24 ARG C C 13 174.288 0.16 . 1 . . . A 24 ARG C . 17806 1 235 . 1 1 24 24 ARG CA C 13 55.578 0.16 . 1 . . . A 24 ARG CA . 17806 1 236 . 1 1 24 24 ARG CB C 13 26.301 0.16 . 1 . . . A 24 ARG CB . 17806 1 237 . 1 1 24 24 ARG CG C 13 26.182 0.16 . 1 . . . A 24 ARG CG . 17806 1 238 . 1 1 24 24 ARG CD C 13 40.151 0.16 . 1 . . . A 24 ARG CD . 17806 1 239 . 1 1 24 24 ARG N N 15 121.463 0.12 . 1 . . . A 24 ARG N . 17806 1 240 . 1 1 25 25 SER H H 1 7.399 0.025 . 1 . . . A 25 SER H . 17806 1 241 . 1 1 25 25 SER HA H 1 4.197 0.025 . 1 . . . A 25 SER HA . 17806 1 242 . 1 1 25 25 SER HB2 H 1 3.568 0.025 . 2 . . . A 25 SER HB2 . 17806 1 243 . 1 1 25 25 SER HB3 H 1 3.568 0.025 . 2 . . . A 25 SER HB3 . 17806 1 244 . 1 1 25 25 SER C C 13 169.877 0.16 . 1 . . . A 25 SER C . 17806 1 245 . 1 1 25 25 SER CA C 13 56.988 0.16 . 1 . . . A 25 SER CA . 17806 1 246 . 1 1 25 25 SER CB C 13 60.400 0.16 . 1 . . . A 25 SER CB . 17806 1 247 . 1 1 25 25 SER N N 15 113.672 0.12 . 1 . . . A 25 SER N . 17806 1 248 . 1 1 26 26 PHE H H 1 6.909 0.025 . 1 . . . A 26 PHE H . 17806 1 249 . 1 1 26 26 PHE HA H 1 4.407 0.025 . 1 . . . A 26 PHE HA . 17806 1 250 . 1 1 26 26 PHE HB2 H 1 2.461 0.025 . 2 . . . A 26 PHE HB2 . 17806 1 251 . 1 1 26 26 PHE HB3 H 1 2.684 0.025 . 2 . . . A 26 PHE HB3 . 17806 1 252 . 1 1 26 26 PHE HD1 H 1 6.876 0.025 . 3 . . . A 26 PHE HD1 . 17806 1 253 . 1 1 26 26 PHE HD2 H 1 6.876 0.025 . 3 . . . A 26 PHE HD2 . 17806 1 254 . 1 1 26 26 PHE HE1 H 1 7.153 0.025 . 3 . . . A 26 PHE HE1 . 17806 1 255 . 1 1 26 26 PHE HE2 H 1 7.153 0.025 . 3 . . . A 26 PHE HE2 . 17806 1 256 . 1 1 26 26 PHE HZ H 1 6.989 0.025 . 1 . . . A 26 PHE HZ . 17806 1 257 . 1 1 26 26 PHE C C 13 172.044 0.16 . 1 . . . A 26 PHE C . 17806 1 258 . 1 1 26 26 PHE CA C 13 54.275 0.16 . 1 . . . A 26 PHE CA . 17806 1 259 . 1 1 26 26 PHE CB C 13 39.144 0.16 . 1 . . . A 26 PHE CB . 17806 1 260 . 1 1 26 26 PHE CD1 C 13 127.552 0.16 . 3 . . . A 26 PHE CD1 . 17806 1 261 . 1 1 26 26 PHE CD2 C 13 127.552 0.16 . 3 . . . A 26 PHE CD2 . 17806 1 262 . 1 1 26 26 PHE CE1 C 13 126.096 0.16 . 3 . . . A 26 PHE CE1 . 17806 1 263 . 1 1 26 26 PHE CE2 C 13 126.096 0.16 . 3 . . . A 26 PHE CE2 . 17806 1 264 . 1 1 26 26 PHE CZ C 13 124.650 0.16 . 1 . . . A 26 PHE CZ . 17806 1 265 . 1 1 26 26 PHE N N 15 118.894 0.12 . 1 . . . A 26 PHE N . 17806 1 266 . 1 1 27 27 ILE H H 1 8.950 0.025 . 1 . . . A 27 ILE H . 17806 1 267 . 1 1 27 27 ILE HA H 1 4.954 0.025 . 1 . . . A 27 ILE HA . 17806 1 268 . 1 1 27 27 ILE HB H 1 1.685 0.025 . 1 . . . A 27 ILE HB . 17806 1 269 . 1 1 27 27 ILE HG12 H 1 1.027 0.025 . 2 . . . A 27 ILE HG12 . 17806 1 270 . 1 1 27 27 ILE HG13 H 1 1.437 0.025 . 2 . . . A 27 ILE HG13 . 17806 1 271 . 1 1 27 27 ILE HD11 H 1 0.766 0.025 . . . . . A 27 ILE HD11 . 17806 1 272 . 1 1 27 27 ILE HD12 H 1 0.766 0.025 . . . . . A 27 ILE HD12 . 17806 1 273 . 1 1 27 27 ILE HD13 H 1 0.766 0.025 . . . . . A 27 ILE HD13 . 17806 1 274 . 1 1 27 27 ILE C C 13 174.880 0.16 . 1 . . . A 27 ILE C . 17806 1 275 . 1 1 27 27 ILE CA C 13 57.885 0.16 . 1 . . . A 27 ILE CA . 17806 1 276 . 1 1 27 27 ILE CB C 13 35.035 0.16 . 1 . . . A 27 ILE CB . 17806 1 277 . 1 1 27 27 ILE CG1 C 13 24.274 0.16 . 1 . . . A 27 ILE CG1 . 17806 1 278 . 1 1 27 27 ILE CD1 C 13 10.489 0.16 . 1 . . . A 27 ILE CD1 . 17806 1 279 . 1 1 27 27 ILE N N 15 123.975 0.12 . 1 . . . A 27 ILE N . 17806 1 280 . 1 1 28 28 LYS H H 1 10.059 0.025 . 1 . . . A 28 LYS H . 17806 1 281 . 1 1 28 28 LYS HA H 1 4.893 0.025 . 1 . . . A 28 LYS HA . 17806 1 282 . 1 1 28 28 LYS HB2 H 1 1.995 0.025 . 2 . . . A 28 LYS HB2 . 17806 1 283 . 1 1 28 28 LYS HB3 H 1 1.663 0.025 . 2 . . . A 28 LYS HB3 . 17806 1 284 . 1 1 28 28 LYS HD2 H 1 2.052 0.025 . 2 . . . A 28 LYS HD2 . 17806 1 285 . 1 1 28 28 LYS C C 13 172.925 0.16 . 1 . . . A 28 LYS C . 17806 1 286 . 1 1 28 28 LYS CA C 13 52.688 0.16 . 1 . . . A 28 LYS CA . 17806 1 287 . 1 1 28 28 LYS CB C 13 31.345 0.16 . 1 . . . A 28 LYS CB . 17806 1 288 . 1 1 28 28 LYS N N 15 131.216 0.12 . 1 . . . A 28 LYS N . 17806 1 289 . 1 1 29 29 SER H H 1 8.347 0.025 . 1 . . . A 29 SER H . 17806 1 290 . 1 1 29 29 SER HA H 1 5.021 0.025 . 1 . . . A 29 SER HA . 17806 1 291 . 1 1 29 29 SER HB2 H 1 3.616 0.025 . 2 . . . A 29 SER HB2 . 17806 1 292 . 1 1 29 29 SER HB3 H 1 3.647 0.025 . 2 . . . A 29 SER HB3 . 17806 1 293 . 1 1 29 29 SER C C 13 170.710 0.16 . 1 . . . A 29 SER C . 17806 1 294 . 1 1 29 29 SER CA C 13 54.321 0.16 . 1 . . . A 29 SER CA . 17806 1 295 . 1 1 29 29 SER CB C 13 62.420 0.16 . 1 . . . A 29 SER CB . 17806 1 296 . 1 1 29 29 SER N N 15 114.165 0.12 . 1 . . . A 29 SER N . 17806 1 297 . 1 1 30 30 VAL H H 1 8.247 0.025 . 1 . . . A 30 VAL H . 17806 1 298 . 1 1 30 30 VAL HA H 1 4.865 0.025 . 1 . . . A 30 VAL HA . 17806 1 299 . 1 1 30 30 VAL HB H 1 1.579 0.025 . 1 . . . A 30 VAL HB . 17806 1 300 . 1 1 30 30 VAL HG11 H 1 0.637 0.025 . . . . . A 30 VAL HG11 . 17806 1 301 . 1 1 30 30 VAL HG12 H 1 0.637 0.025 . . . . . A 30 VAL HG12 . 17806 1 302 . 1 1 30 30 VAL HG13 H 1 0.637 0.025 . . . . . A 30 VAL HG13 . 17806 1 303 . 1 1 30 30 VAL HG21 H 1 0.493 0.025 . . . . . A 30 VAL HG21 . 17806 1 304 . 1 1 30 30 VAL HG22 H 1 0.493 0.025 . . . . . A 30 VAL HG22 . 17806 1 305 . 1 1 30 30 VAL HG23 H 1 0.493 0.025 . . . . . A 30 VAL HG23 . 17806 1 306 . 1 1 30 30 VAL C C 13 170.470 0.16 . 1 . . . A 30 VAL C . 17806 1 307 . 1 1 30 30 VAL CA C 13 58.534 0.16 . 1 . . . A 30 VAL CA . 17806 1 308 . 1 1 30 30 VAL CB C 13 34.108 0.16 . 1 . . . A 30 VAL CB . 17806 1 309 . 1 1 30 30 VAL CG1 C 13 24.097 0.16 . 2 . . . A 30 VAL CG1 . 17806 1 310 . 1 1 30 30 VAL CG2 C 13 18.428 0.16 . 2 . . . A 30 VAL CG2 . 17806 1 311 . 1 1 30 30 VAL N N 15 123.940 0.12 . 1 . . . A 30 VAL N . 17806 1 312 . 1 1 31 31 VAL H H 1 9.194 0.025 . 1 . . . A 31 VAL H . 17806 1 313 . 1 1 31 31 VAL HA H 1 4.947 0.025 . 1 . . . A 31 VAL HA . 17806 1 314 . 1 1 31 31 VAL HB H 1 1.772 0.025 . 1 . . . A 31 VAL HB . 17806 1 315 . 1 1 31 31 VAL HG11 H 1 0.493 0.025 . . . . . A 31 VAL HG11 . 17806 1 316 . 1 1 31 31 VAL HG12 H 1 0.493 0.025 . . . . . A 31 VAL HG12 . 17806 1 317 . 1 1 31 31 VAL HG13 H 1 0.493 0.025 . . . . . A 31 VAL HG13 . 17806 1 318 . 1 1 31 31 VAL HG21 H 1 0.649 0.025 . . . . . A 31 VAL HG21 . 17806 1 319 . 1 1 31 31 VAL HG22 H 1 0.649 0.025 . . . . . A 31 VAL HG22 . 17806 1 320 . 1 1 31 31 VAL HG23 H 1 0.649 0.025 . . . . . A 31 VAL HG23 . 17806 1 321 . 1 1 31 31 VAL C C 13 172.604 0.16 . 1 . . . A 31 VAL C . 17806 1 322 . 1 1 31 31 VAL CA C 13 58.201 0.16 . 1 . . . A 31 VAL CA . 17806 1 323 . 1 1 31 31 VAL CB C 13 31.450 0.16 . 1 . . . A 31 VAL CB . 17806 1 324 . 1 1 31 31 VAL CG1 C 13 18.489 0.16 . 2 . . . A 31 VAL CG1 . 17806 1 325 . 1 1 31 31 VAL CG2 C 13 18.243 0.16 . 2 . . . A 31 VAL CG2 . 17806 1 326 . 1 1 31 31 VAL N N 15 127.113 0.12 . 1 . . . A 31 VAL N . 17806 1 327 . 1 1 32 32 VAL H H 1 9.056 0.025 . 1 . . . A 32 VAL H . 17806 1 328 . 1 1 32 32 VAL HA H 1 4.610 0.025 . 1 . . . A 32 VAL HA . 17806 1 329 . 1 1 32 32 VAL HB H 1 1.653 0.025 . 1 . . . A 32 VAL HB . 17806 1 330 . 1 1 32 32 VAL HG11 H 1 0.536 0.025 . . . . . A 32 VAL HG11 . 17806 1 331 . 1 1 32 32 VAL HG12 H 1 0.536 0.025 . . . . . A 32 VAL HG12 . 17806 1 332 . 1 1 32 32 VAL HG13 H 1 0.536 0.025 . . . . . A 32 VAL HG13 . 17806 1 333 . 1 1 32 32 VAL HG21 H 1 0.647 0.025 . . . . . A 32 VAL HG21 . 17806 1 334 . 1 1 32 32 VAL HG22 H 1 0.647 0.025 . . . . . A 32 VAL HG22 . 17806 1 335 . 1 1 32 32 VAL HG23 H 1 0.647 0.025 . . . . . A 32 VAL HG23 . 17806 1 336 . 1 1 32 32 VAL C C 13 171.008 0.16 . 1 . . . A 32 VAL C . 17806 1 337 . 1 1 32 32 VAL CA C 13 58.045 0.16 . 1 . . . A 32 VAL CA . 17806 1 338 . 1 1 32 32 VAL CB C 13 31.227 0.16 . 1 . . . A 32 VAL CB . 17806 1 339 . 1 1 32 32 VAL CG1 C 13 19.905 0.16 . 2 . . . A 32 VAL CG1 . 17806 1 340 . 1 1 32 32 VAL CG2 C 13 18.797 0.16 . 2 . . . A 32 VAL CG2 . 17806 1 341 . 1 1 32 32 VAL N N 15 127.990 0.12 . 1 . . . A 32 VAL N . 17806 1 342 . 1 1 33 33 VAL H H 1 8.718 0.025 . 1 . . . A 33 VAL H . 17806 1 343 . 1 1 33 33 VAL HA H 1 4.125 0.025 . 1 . . . A 33 VAL HA . 17806 1 344 . 1 1 33 33 VAL HB H 1 1.642 0.025 . 1 . . . A 33 VAL HB . 17806 1 345 . 1 1 33 33 VAL HG11 H 1 0.673 0.025 . . . . . A 33 VAL HG11 . 17806 1 346 . 1 1 33 33 VAL HG12 H 1 0.673 0.025 . . . . . A 33 VAL HG12 . 17806 1 347 . 1 1 33 33 VAL HG13 H 1 0.673 0.025 . . . . . A 33 VAL HG13 . 17806 1 348 . 1 1 33 33 VAL HG21 H 1 0.673 0.025 . . . . . A 33 VAL HG21 . 17806 1 349 . 1 1 33 33 VAL HG22 H 1 0.673 0.025 . . . . . A 33 VAL HG22 . 17806 1 350 . 1 1 33 33 VAL HG23 H 1 0.673 0.025 . . . . . A 33 VAL HG23 . 17806 1 351 . 1 1 33 33 VAL C C 13 171.319 0.16 . 1 . . . A 33 VAL C . 17806 1 352 . 1 1 33 33 VAL CA C 13 57.510 0.16 . 1 . . . A 33 VAL CA . 17806 1 353 . 1 1 33 33 VAL CB C 13 32.301 0.16 . 1 . . . A 33 VAL CB . 17806 1 354 . 1 1 33 33 VAL CG1 C 13 18.366 0.16 . 2 . . . A 33 VAL CG1 . 17806 1 355 . 1 1 33 33 VAL CG2 C 13 18.366 0.16 . 2 . . . A 33 VAL CG2 . 17806 1 356 . 1 1 33 33 VAL N N 15 126.994 0.12 . 1 . . . A 33 VAL N . 17806 1 357 . 1 1 34 34 ALA H H 1 8.746 0.025 . 1 . . . A 34 ALA H . 17806 1 358 . 1 1 34 34 ALA HA H 1 5.037 0.025 . 1 . . . A 34 ALA HA . 17806 1 359 . 1 1 34 34 ALA HB1 H 1 1.221 0.025 . . . . . A 34 ALA HB1 . 17806 1 360 . 1 1 34 34 ALA HB2 H 1 1.221 0.025 . . . . . A 34 ALA HB2 . 17806 1 361 . 1 1 34 34 ALA HB3 H 1 1.221 0.025 . . . . . A 34 ALA HB3 . 17806 1 362 . 1 1 34 34 ALA C C 13 171.857 0.16 . 1 . . . A 34 ALA C . 17806 1 363 . 1 1 34 34 ALA CA C 13 46.843 0.16 . 1 . . . A 34 ALA CA . 17806 1 364 . 1 1 34 34 ALA CB C 13 19.393 0.16 . 1 . . . A 34 ALA CB . 17806 1 365 . 1 1 34 34 ALA N N 15 128.089 0.12 . 1 . . . A 34 ALA N . 17806 1 366 . 1 1 35 35 ASN H H 1 7.857 0.025 . 1 . . . A 35 ASN H . 17806 1 367 . 1 1 35 35 ASN HA H 1 4.723 0.025 . 1 . . . A 35 ASN HA . 17806 1 368 . 1 1 35 35 ASN HB2 H 1 2.696 0.025 . 2 . . . A 35 ASN HB2 . 17806 1 369 . 1 1 35 35 ASN HB3 H 1 2.863 0.025 . 2 . . . A 35 ASN HB3 . 17806 1 370 . 1 1 35 35 ASN HD21 H 1 6.839 0.025 . 2 . . . A 35 ASN HD21 . 17806 1 371 . 1 1 35 35 ASN HD22 H 1 8.095 0.025 . 2 . . . A 35 ASN HD22 . 17806 1 372 . 1 1 35 35 ASN C C 13 174.005 0.16 . 1 . . . A 35 ASN C . 17806 1 373 . 1 1 35 35 ASN CA C 13 50.947 0.16 . 1 . . . A 35 ASN CA . 17806 1 374 . 1 1 35 35 ASN CB C 13 36.618 0.16 . 1 . . . A 35 ASN CB . 17806 1 375 . 1 1 35 35 ASN N N 15 119.680 0.12 . 1 . . . A 35 ASN N . 17806 1 376 . 1 1 35 35 ASN ND2 N 15 111.980 0.12 . 1 . . . A 35 ASN ND2 . 17806 1 377 . 1 1 36 36 GLY H H 1 8.779 0.025 . 1 . . . A 36 GLY H . 17806 1 378 . 1 1 36 36 GLY HA2 H 1 4.494 0.025 . 2 . . . A 36 GLY HA2 . 17806 1 379 . 1 1 36 36 GLY HA3 H 1 3.723 0.025 . 2 . . . A 36 GLY HA3 . 17806 1 380 . 1 1 36 36 GLY C C 13 170.573 0.16 . 1 . . . A 36 GLY C . 17806 1 381 . 1 1 36 36 GLY CA C 13 42.361 0.16 . 1 . . . A 36 GLY CA . 17806 1 382 . 1 1 36 36 GLY N N 15 113.112 0.12 . 1 . . . A 36 GLY N . 17806 1 383 . 1 1 37 37 THR H H 1 7.553 0.025 . 1 . . . A 37 THR H . 17806 1 384 . 1 1 37 37 THR HA H 1 4.654 0.025 . 1 . . . A 37 THR HA . 17806 1 385 . 1 1 37 37 THR HB H 1 4.001 0.025 . 1 . . . A 37 THR HB . 17806 1 386 . 1 1 37 37 THR HG21 H 1 1.029 0.025 . . . . . A 37 THR HG21 . 17806 1 387 . 1 1 37 37 THR HG22 H 1 1.029 0.025 . . . . . A 37 THR HG22 . 17806 1 388 . 1 1 37 37 THR HG23 H 1 1.029 0.025 . . . . . A 37 THR HG23 . 17806 1 389 . 1 1 37 37 THR C C 13 169.734 0.16 . 1 . . . A 37 THR C . 17806 1 390 . 1 1 37 37 THR CA C 13 56.447 0.16 . 1 . . . A 37 THR CA . 17806 1 391 . 1 1 37 37 THR CB C 13 66.539 0.16 . 1 . . . A 37 THR CB . 17806 1 392 . 1 1 37 37 THR CG2 C 13 16.419 0.16 . 1 . . . A 37 THR CG2 . 17806 1 393 . 1 1 37 37 THR N N 15 114.086 0.12 . 1 . . . A 37 THR N . 17806 1 394 . 1 1 38 38 GLN H H 1 8.100 0.025 . 1 . . . A 38 GLN H . 17806 1 395 . 1 1 38 38 GLN HA H 1 4.746 0.025 . 1 . . . A 38 GLN HA . 17806 1 396 . 1 1 38 38 GLN HB2 H 1 2.093 0.025 . 2 . . . A 38 GLN HB2 . 17806 1 397 . 1 1 38 38 GLN HB3 H 1 2.093 0.025 . 2 . . . A 38 GLN HB3 . 17806 1 398 . 1 1 38 38 GLN HG2 H 1 2.299 0.025 . 2 . . . A 38 GLN HG2 . 17806 1 399 . 1 1 38 38 GLN HG3 H 1 2.203 0.025 . 2 . . . A 38 GLN HG3 . 17806 1 400 . 1 1 38 38 GLN HE21 H 1 7.176 0.025 . 2 . . . A 38 GLN HE21 . 17806 1 401 . 1 1 38 38 GLN HE22 H 1 6.712 0.025 . 2 . . . A 38 GLN HE22 . 17806 1 402 . 1 1 38 38 GLN C C 13 172.380 0.16 . 1 . . . A 38 GLN C . 17806 1 403 . 1 1 38 38 GLN CA C 13 52.425 0.16 . 1 . . . A 38 GLN CA . 17806 1 404 . 1 1 38 38 GLN CB C 13 28.867 0.16 . 1 . . . A 38 GLN CB . 17806 1 405 . 1 1 38 38 GLN CG C 13 32.464 0.16 . 1 . . . A 38 GLN CG . 17806 1 406 . 1 1 38 38 GLN N N 15 119.203 0.12 . 1 . . . A 38 GLN N . 17806 1 407 . 1 1 38 38 GLN NE2 N 15 110.825 0.12 . 1 . . . A 38 GLN NE2 . 17806 1 408 . 1 1 39 39 LEU H H 1 8.924 0.025 . 1 . . . A 39 LEU H . 17806 1 409 . 1 1 39 39 LEU HA H 1 5.160 0.025 . 1 . . . A 39 LEU HA . 17806 1 410 . 1 1 39 39 LEU HB2 H 1 1.282 0.025 . 2 . . . A 39 LEU HB2 . 17806 1 411 . 1 1 39 39 LEU HB3 H 1 1.663 0.025 . 2 . . . A 39 LEU HB3 . 17806 1 412 . 1 1 39 39 LEU HG H 1 1.542 0.025 . 1 . . . A 39 LEU HG . 17806 1 413 . 1 1 39 39 LEU HD11 H 1 0.831 0.025 . . . . . A 39 LEU HD11 . 17806 1 414 . 1 1 39 39 LEU HD12 H 1 0.831 0.025 . . . . . A 39 LEU HD12 . 17806 1 415 . 1 1 39 39 LEU HD13 H 1 0.831 0.025 . . . . . A 39 LEU HD13 . 17806 1 416 . 1 1 39 39 LEU HD21 H 1 0.910 0.025 . . . . . A 39 LEU HD21 . 17806 1 417 . 1 1 39 39 LEU HD22 H 1 0.910 0.025 . . . . . A 39 LEU HD22 . 17806 1 418 . 1 1 39 39 LEU HD23 H 1 0.910 0.025 . . . . . A 39 LEU HD23 . 17806 1 419 . 1 1 39 39 LEU C C 13 172.026 0.16 . 1 . . . A 39 LEU C . 17806 1 420 . 1 1 39 39 LEU CA C 13 49.992 0.16 . 1 . . . A 39 LEU CA . 17806 1 421 . 1 1 39 39 LEU CB C 13 42.726 0.16 . 1 . . . A 39 LEU CB . 17806 1 422 . 1 1 39 39 LEU CG C 13 25.774 0.16 . 1 . . . A 39 LEU CG . 17806 1 423 . 1 1 39 39 LEU CD1 C 13 22.738 0.16 . 2 . . . A 39 LEU CD1 . 17806 1 424 . 1 1 39 39 LEU CD2 C 13 21.499 0.16 . 2 . . . A 39 LEU CD2 . 17806 1 425 . 1 1 39 39 LEU N N 15 120.932 0.12 . 1 . . . A 39 LEU N . 17806 1 426 . 1 1 40 40 LYS H H 1 9.478 0.025 . 1 . . . A 40 LYS H . 17806 1 427 . 1 1 40 40 LYS HA H 1 4.975 0.025 . 1 . . . A 40 LYS HA . 17806 1 428 . 1 1 40 40 LYS HB2 H 1 1.581 0.025 . 2 . . . A 40 LYS HB2 . 17806 1 429 . 1 1 40 40 LYS HB3 H 1 1.282 0.025 . 2 . . . A 40 LYS HB3 . 17806 1 430 . 1 1 40 40 LYS HG2 H 1 0.909 0.025 . 2 . . . A 40 LYS HG2 . 17806 1 431 . 1 1 40 40 LYS HG3 H 1 0.966 0.025 . 2 . . . A 40 LYS HG3 . 17806 1 432 . 1 1 40 40 LYS HD2 H 1 1.410 0.025 . 2 . . . A 40 LYS HD2 . 17806 1 433 . 1 1 40 40 LYS HD3 H 1 1.410 0.025 . 2 . . . A 40 LYS HD3 . 17806 1 434 . 1 1 40 40 LYS HE2 H 1 2.749 0.025 . 2 . . . A 40 LYS HE2 . 17806 1 435 . 1 1 40 40 LYS HE3 H 1 2.749 0.025 . 2 . . . A 40 LYS HE3 . 17806 1 436 . 1 1 40 40 LYS C C 13 173.834 0.16 . 1 . . . A 40 LYS C . 17806 1 437 . 1 1 40 40 LYS CA C 13 51.772 0.16 . 1 . . . A 40 LYS CA . 17806 1 438 . 1 1 40 40 LYS CB C 13 31.931 0.16 . 1 . . . A 40 LYS CB . 17806 1 439 . 1 1 40 40 LYS CG C 13 21.473 0.16 . 1 . . . A 40 LYS CG . 17806 1 440 . 1 1 40 40 LYS CD C 13 26.641 0.16 . 1 . . . A 40 LYS CD . 17806 1 441 . 1 1 40 40 LYS CE C 13 39.279 0.16 . 1 . . . A 40 LYS CE . 17806 1 442 . 1 1 40 40 LYS N N 15 121.508 0.12 . 1 . . . A 40 LYS N . 17806 1 443 . 1 1 41 41 ASP H H 1 8.526 0.025 . 1 . . . A 41 ASP H . 17806 1 444 . 1 1 41 41 ASP HA H 1 4.889 0.025 . 1 . . . A 41 ASP HA . 17806 1 445 . 1 1 41 41 ASP HB2 H 1 2.967 0.025 . 2 . . . A 41 ASP HB2 . 17806 1 446 . 1 1 41 41 ASP HB3 H 1 2.469 0.025 . 2 . . . A 41 ASP HB3 . 17806 1 447 . 1 1 41 41 ASP C C 13 175.239 0.16 . 1 . . . A 41 ASP C . 17806 1 448 . 1 1 41 41 ASP CA C 13 51.069 0.16 . 1 . . . A 41 ASP CA . 17806 1 449 . 1 1 41 41 ASP CB C 13 39.868 0.16 . 1 . . . A 41 ASP CB . 17806 1 450 . 1 1 41 41 ASP N N 15 127.693 0.12 . 1 . . . A 41 ASP N . 17806 1 451 . 1 1 42 42 GLY H H 1 8.831 0.025 . 1 . . . A 42 GLY H . 17806 1 452 . 1 1 42 42 GLY HA2 H 1 3.725 0.025 . 2 . . . A 42 GLY HA2 . 17806 1 453 . 1 1 42 42 GLY HA3 H 1 3.665 0.025 . 2 . . . A 42 GLY HA3 . 17806 1 454 . 1 1 42 42 GLY C C 13 171.978 0.16 . 1 . . . A 42 GLY C . 17806 1 455 . 1 1 42 42 GLY CA C 13 44.499 0.16 . 1 . . . A 42 GLY CA . 17806 1 456 . 1 1 42 42 GLY N N 15 115.554 0.12 . 1 . . . A 42 GLY N . 17806 1 457 . 1 1 43 43 ALA H H 1 8.647 0.025 . 1 . . . A 43 ALA H . 17806 1 458 . 1 1 43 43 ALA HA H 1 4.355 0.025 . 1 . . . A 43 ALA HA . 17806 1 459 . 1 1 43 43 ALA HB1 H 1 1.549 0.025 . . . . . A 43 ALA HB1 . 17806 1 460 . 1 1 43 43 ALA HB2 H 1 1.549 0.025 . . . . . A 43 ALA HB2 . 17806 1 461 . 1 1 43 43 ALA HB3 H 1 1.549 0.025 . . . . . A 43 ALA HB3 . 17806 1 462 . 1 1 43 43 ALA C C 13 176.928 0.16 . 1 . . . A 43 ALA C . 17806 1 463 . 1 1 43 43 ALA CA C 13 51.494 0.16 . 1 . . . A 43 ALA CA . 17806 1 464 . 1 1 43 43 ALA CB C 13 16.880 0.16 . 1 . . . A 43 ALA CB . 17806 1 465 . 1 1 43 43 ALA N N 15 122.215 0.12 . 1 . . . A 43 ALA N . 17806 1 466 . 1 1 44 44 THR H H 1 7.766 0.025 . 1 . . . A 44 THR H . 17806 1 467 . 1 1 44 44 THR HA H 1 4.395 0.025 . 1 . . . A 44 THR HA . 17806 1 468 . 1 1 44 44 THR HB H 1 4.322 0.025 . 1 . . . A 44 THR HB . 17806 1 469 . 1 1 44 44 THR HG21 H 1 1.191 0.025 . . . . . A 44 THR HG21 . 17806 1 470 . 1 1 44 44 THR HG22 H 1 1.191 0.025 . . . . . A 44 THR HG22 . 17806 1 471 . 1 1 44 44 THR HG23 H 1 1.191 0.025 . . . . . A 44 THR HG23 . 17806 1 472 . 1 1 44 44 THR C C 13 174.012 0.16 . 1 . . . A 44 THR C . 17806 1 473 . 1 1 44 44 THR CA C 13 58.648 0.16 . 1 . . . A 44 THR CA . 17806 1 474 . 1 1 44 44 THR CB C 13 68.581 0.16 . 1 . . . A 44 THR CB . 17806 1 475 . 1 1 44 44 THR CG2 C 13 18.565 0.16 . 1 . . . A 44 THR CG2 . 17806 1 476 . 1 1 44 44 THR N N 15 105.783 0.12 . 1 . . . A 44 THR N . 17806 1 477 . 1 1 45 45 GLY H H 1 8.385 0.025 . 1 . . . A 45 GLY H . 17806 1 478 . 1 1 45 45 GLY HA2 H 1 4.116 0.025 . 2 . . . A 45 GLY HA2 . 17806 1 479 . 1 1 45 45 GLY HA3 H 1 3.616 0.025 . 2 . . . A 45 GLY HA3 . 17806 1 480 . 1 1 45 45 GLY C C 13 171.055 0.16 . 1 . . . A 45 GLY C . 17806 1 481 . 1 1 45 45 GLY CA C 13 43.005 0.16 . 1 . . . A 45 GLY CA . 17806 1 482 . 1 1 45 45 GLY N N 15 111.388 0.12 . 1 . . . A 45 GLY N . 17806 1 483 . 1 1 46 46 GLU H H 1 7.817 0.025 . 1 . . . A 46 GLU H . 17806 1 484 . 1 1 46 46 GLU HA H 1 4.142 0.025 . 1 . . . A 46 GLU HA . 17806 1 485 . 1 1 46 46 GLU HB2 H 1 1.841 0.025 . 2 . . . A 46 GLU HB2 . 17806 1 486 . 1 1 46 46 GLU HB3 H 1 1.923 0.025 . 2 . . . A 46 GLU HB3 . 17806 1 487 . 1 1 46 46 GLU HG2 H 1 2.272 0.025 . 2 . . . A 46 GLU HG2 . 17806 1 488 . 1 1 46 46 GLU HG3 H 1 2.164 0.025 . 2 . . . A 46 GLU HG3 . 17806 1 489 . 1 1 46 46 GLU C C 13 172.774 0.16 . 1 . . . A 46 GLU C . 17806 1 490 . 1 1 46 46 GLU CA C 13 53.896 0.16 . 1 . . . A 46 GLU CA . 17806 1 491 . 1 1 46 46 GLU CB C 13 28.201 0.16 . 1 . . . A 46 GLU CB . 17806 1 492 . 1 1 46 46 GLU CG C 13 33.133 0.16 . 1 . . . A 46 GLU CG . 17806 1 493 . 1 1 46 46 GLU N N 15 120.992 0.12 . 1 . . . A 46 GLU N . 17806 1 494 . 1 1 47 47 SER H H 1 8.466 0.025 . 1 . . . A 47 SER H . 17806 1 495 . 1 1 47 47 SER HA H 1 4.880 0.025 . 1 . . . A 47 SER HA . 17806 1 496 . 1 1 47 47 SER HB2 H 1 3.687 0.025 . 2 . . . A 47 SER HB2 . 17806 1 497 . 1 1 47 47 SER HB3 H 1 3.603 0.025 . 2 . . . A 47 SER HB3 . 17806 1 498 . 1 1 47 47 SER C C 13 170.950 0.16 . 1 . . . A 47 SER C . 17806 1 499 . 1 1 47 47 SER CA C 13 55.258 0.16 . 1 . . . A 47 SER CA . 17806 1 500 . 1 1 47 47 SER CB C 13 61.052 0.16 . 1 . . . A 47 SER CB . 17806 1 501 . 1 1 47 47 SER N N 15 117.885 0.12 . 1 . . . A 47 SER N . 17806 1 502 . 1 1 48 48 LEU H H 1 9.501 0.025 . 1 . . . A 48 LEU H . 17806 1 503 . 1 1 48 48 LEU HA H 1 4.559 0.025 . 1 . . . A 48 LEU HA . 17806 1 504 . 1 1 48 48 LEU HB2 H 1 1.489 0.025 . 2 . . . A 48 LEU HB2 . 17806 1 505 . 1 1 48 48 LEU HB3 H 1 1.489 0.025 . 2 . . . A 48 LEU HB3 . 17806 1 506 . 1 1 48 48 LEU HG H 1 1.507 0.025 . 1 . . . A 48 LEU HG . 17806 1 507 . 1 1 48 48 LEU HD11 H 1 0.810 0.025 . . . . . A 48 LEU HD11 . 17806 1 508 . 1 1 48 48 LEU HD12 H 1 0.810 0.025 . . . . . A 48 LEU HD12 . 17806 1 509 . 1 1 48 48 LEU HD13 H 1 0.810 0.025 . . . . . A 48 LEU HD13 . 17806 1 510 . 1 1 48 48 LEU HD21 H 1 0.818 0.025 . . . . . A 48 LEU HD21 . 17806 1 511 . 1 1 48 48 LEU HD22 H 1 0.818 0.025 . . . . . A 48 LEU HD22 . 17806 1 512 . 1 1 48 48 LEU HD23 H 1 0.818 0.025 . . . . . A 48 LEU HD23 . 17806 1 513 . 1 1 48 48 LEU C C 13 172.802 0.16 . 1 . . . A 48 LEU C . 17806 1 514 . 1 1 48 48 LEU CA C 13 50.957 0.16 . 1 . . . A 48 LEU CA . 17806 1 515 . 1 1 48 48 LEU CB C 13 42.847 0.16 . 1 . . . A 48 LEU CB . 17806 1 516 . 1 1 48 48 LEU CG C 13 24.039 0.16 . 1 . . . A 48 LEU CG . 17806 1 517 . 1 1 48 48 LEU CD1 C 13 23.551 0.16 . 2 . . . A 48 LEU CD1 . 17806 1 518 . 1 1 48 48 LEU CD2 C 13 20.636 0.16 . 2 . . . A 48 LEU CD2 . 17806 1 519 . 1 1 48 48 LEU N N 15 127.192 0.12 . 1 . . . A 48 LEU N . 17806 1 520 . 1 1 49 49 ALA H H 1 8.131 0.025 . 1 . . . A 49 ALA H . 17806 1 521 . 1 1 49 49 ALA HA H 1 4.271 0.025 . 1 . . . A 49 ALA HA . 17806 1 522 . 1 1 49 49 ALA HB1 H 1 1.295 0.025 . . . . . A 49 ALA HB1 . 17806 1 523 . 1 1 49 49 ALA HB2 H 1 1.295 0.025 . . . . . A 49 ALA HB2 . 17806 1 524 . 1 1 49 49 ALA HB3 H 1 1.295 0.025 . . . . . A 49 ALA HB3 . 17806 1 525 . 1 1 49 49 ALA C C 13 173.821 0.16 . 1 . . . A 49 ALA C . 17806 1 526 . 1 1 49 49 ALA CA C 13 48.706 0.16 . 1 . . . A 49 ALA CA . 17806 1 527 . 1 1 49 49 ALA CB C 13 16.380 0.16 . 1 . . . A 49 ALA CB . 17806 1 528 . 1 1 49 49 ALA N N 15 123.115 0.12 . 1 . . . A 49 ALA N . 17806 1 529 . 1 1 50 50 SER H H 1 8.315 0.025 . 1 . . . A 50 SER H . 17806 1 530 . 1 1 50 50 SER HA H 1 4.652 0.025 . 1 . . . A 50 SER HA . 17806 1 531 . 1 1 50 50 SER HB2 H 1 3.915 0.025 . 2 . . . A 50 SER HB2 . 17806 1 532 . 1 1 50 50 SER HB3 H 1 3.733 0.025 . 2 . . . A 50 SER HB3 . 17806 1 533 . 1 1 50 50 SER CA C 13 52.442 0.16 . 1 . . . A 50 SER CA . 17806 1 534 . 1 1 50 50 SER CB C 13 61.238 0.16 . 1 . . . A 50 SER CB . 17806 1 535 . 1 1 50 50 SER N N 15 112.472 0.12 . 1 . . . A 50 SER N . 17806 1 536 . 1 1 51 51 PRO HA H 1 5.183 0.025 . 1 . . . A 51 PRO HA . 17806 1 537 . 1 1 51 51 PRO HB2 H 1 2.022 0.025 . 2 . . . A 51 PRO HB2 . 17806 1 538 . 1 1 51 51 PRO HB3 H 1 1.614 0.025 . 2 . . . A 51 PRO HB3 . 17806 1 539 . 1 1 51 51 PRO HG2 H 1 1.856 0.025 . 2 . . . A 51 PRO HG2 . 17806 1 540 . 1 1 51 51 PRO HG3 H 1 1.805 0.025 . 2 . . . A 51 PRO HG3 . 17806 1 541 . 1 1 51 51 PRO HD2 H 1 3.551 0.025 . 2 . . . A 51 PRO HD2 . 17806 1 542 . 1 1 51 51 PRO HD3 H 1 3.526 0.025 . 2 . . . A 51 PRO HD3 . 17806 1 543 . 1 1 51 51 PRO C C 13 172.809 0.16 . 1 . . . A 51 PRO C . 17806 1 544 . 1 1 51 51 PRO CA C 13 59.408 0.16 . 1 . . . A 51 PRO CA . 17806 1 545 . 1 1 51 51 PRO CB C 13 32.279 0.16 . 1 . . . A 51 PRO CB . 17806 1 546 . 1 1 51 51 PRO CG C 13 21.834 0.16 . 1 . . . A 51 PRO CG . 17806 1 547 . 1 1 51 51 PRO CD C 13 47.673 0.16 . 1 . . . A 51 PRO CD . 17806 1 548 . 1 1 52 52 VAL H H 1 9.022 0.025 . 1 . . . A 52 VAL H . 17806 1 549 . 1 1 52 52 VAL HA H 1 4.119 0.025 . 1 . . . A 52 VAL HA . 17806 1 550 . 1 1 52 52 VAL HB H 1 1.751 0.025 . 1 . . . A 52 VAL HB . 17806 1 551 . 1 1 52 52 VAL HG11 H 1 0.718 0.025 . . . . . A 52 VAL HG11 . 17806 1 552 . 1 1 52 52 VAL HG12 H 1 0.718 0.025 . . . . . A 52 VAL HG12 . 17806 1 553 . 1 1 52 52 VAL HG13 H 1 0.718 0.025 . . . . . A 52 VAL HG13 . 17806 1 554 . 1 1 52 52 VAL HG21 H 1 0.910 0.025 . . . . . A 52 VAL HG21 . 17806 1 555 . 1 1 52 52 VAL HG22 H 1 0.910 0.025 . . . . . A 52 VAL HG22 . 17806 1 556 . 1 1 52 52 VAL HG23 H 1 0.910 0.025 . . . . . A 52 VAL HG23 . 17806 1 557 . 1 1 52 52 VAL C C 13 171.498 0.16 . 1 . . . A 52 VAL C . 17806 1 558 . 1 1 52 52 VAL CA C 13 59.001 0.16 . 1 . . . A 52 VAL CA . 17806 1 559 . 1 1 52 52 VAL CB C 13 30.826 0.16 . 1 . . . A 52 VAL CB . 17806 1 560 . 1 1 52 52 VAL CG1 C 13 18.030 0.16 . 2 . . . A 52 VAL CG1 . 17806 1 561 . 1 1 52 52 VAL CG2 C 13 21.761 0.16 . 2 . . . A 52 VAL CG2 . 17806 1 562 . 1 1 52 52 VAL N N 15 122.574 0.12 . 1 . . . A 52 VAL N . 17806 1 563 . 1 1 53 53 ILE H H 1 8.381 0.025 . 1 . . . A 53 ILE H . 17806 1 564 . 1 1 53 53 ILE HA H 1 4.557 0.025 . 1 . . . A 53 ILE HA . 17806 1 565 . 1 1 53 53 ILE HB H 1 1.700 0.025 . 1 . . . A 53 ILE HB . 17806 1 566 . 1 1 53 53 ILE HG12 H 1 1.399 0.025 . 2 . . . A 53 ILE HG12 . 17806 1 567 . 1 1 53 53 ILE HG13 H 1 0.992 0.025 . 2 . . . A 53 ILE HG13 . 17806 1 568 . 1 1 53 53 ILE HG21 H 1 0.706 0.025 . . . . . A 53 ILE HG21 . 17806 1 569 . 1 1 53 53 ILE HG22 H 1 0.706 0.025 . . . . . A 53 ILE HG22 . 17806 1 570 . 1 1 53 53 ILE HG23 H 1 0.706 0.025 . . . . . A 53 ILE HG23 . 17806 1 571 . 1 1 53 53 ILE HD11 H 1 0.763 0.025 . . . . . A 53 ILE HD11 . 17806 1 572 . 1 1 53 53 ILE HD12 H 1 0.763 0.025 . . . . . A 53 ILE HD12 . 17806 1 573 . 1 1 53 53 ILE HD13 H 1 0.763 0.025 . . . . . A 53 ILE HD13 . 17806 1 574 . 1 1 53 53 ILE C C 13 173.343 0.16 . 1 . . . A 53 ILE C . 17806 1 575 . 1 1 53 53 ILE CA C 13 57.398 0.16 . 1 . . . A 53 ILE CA . 17806 1 576 . 1 1 53 53 ILE CB C 13 36.096 0.16 . 1 . . . A 53 ILE CB . 17806 1 577 . 1 1 53 53 ILE CG1 C 13 25.028 0.16 . 1 . . . A 53 ILE CG1 . 17806 1 578 . 1 1 53 53 ILE CG2 C 13 14.718 0.16 . 1 . . . A 53 ILE CG2 . 17806 1 579 . 1 1 53 53 ILE CD1 C 13 10.703 0.16 . 1 . . . A 53 ILE CD1 . 17806 1 580 . 1 1 53 53 ILE N N 15 127.591 0.12 . 1 . . . A 53 ILE N . 17806 1 581 . 1 1 54 54 LEU H H 1 9.645 0.025 . 1 . . . A 54 LEU H . 17806 1 582 . 1 1 54 54 LEU HA H 1 4.537 0.025 . 1 . . . A 54 LEU HA . 17806 1 583 . 1 1 54 54 LEU HB2 H 1 1.932 0.025 . 2 . . . A 54 LEU HB2 . 17806 1 584 . 1 1 54 54 LEU HB3 H 1 1.145 0.025 . 2 . . . A 54 LEU HB3 . 17806 1 585 . 1 1 54 54 LEU HG H 1 1.420 0.025 . 1 . . . A 54 LEU HG . 17806 1 586 . 1 1 54 54 LEU HD11 H 1 0.652 0.025 . . . . . A 54 LEU HD11 . 17806 1 587 . 1 1 54 54 LEU HD12 H 1 0.652 0.025 . . . . . A 54 LEU HD12 . 17806 1 588 . 1 1 54 54 LEU HD13 H 1 0.652 0.025 . . . . . A 54 LEU HD13 . 17806 1 589 . 1 1 54 54 LEU HD21 H 1 0.561 0.025 . . . . . A 54 LEU HD21 . 17806 1 590 . 1 1 54 54 LEU HD22 H 1 0.561 0.025 . . . . . A 54 LEU HD22 . 17806 1 591 . 1 1 54 54 LEU HD23 H 1 0.561 0.025 . . . . . A 54 LEU HD23 . 17806 1 592 . 1 1 54 54 LEU C C 13 172.496 0.16 . 1 . . . A 54 LEU C . 17806 1 593 . 1 1 54 54 LEU CA C 13 50.837 0.16 . 1 . . . A 54 LEU CA . 17806 1 594 . 1 1 54 54 LEU CB C 13 39.611 0.16 . 1 . . . A 54 LEU CB . 17806 1 595 . 1 1 54 54 LEU CG C 13 23.830 0.16 . 1 . . . A 54 LEU CG . 17806 1 596 . 1 1 54 54 LEU CD1 C 13 20.508 0.16 . 2 . . . A 54 LEU CD1 . 17806 1 597 . 1 1 54 54 LEU CD2 C 13 22.997 0.16 . 2 . . . A 54 LEU CD2 . 17806 1 598 . 1 1 54 54 LEU N N 15 129.185 0.12 . 1 . . . A 54 LEU N . 17806 1 599 . 1 1 55 55 SER H H 1 8.932 0.025 . 1 . . . A 55 SER H . 17806 1 600 . 1 1 55 55 SER HA H 1 5.074 0.025 . 1 . . . A 55 SER HA . 17806 1 601 . 1 1 55 55 SER HB2 H 1 4.029 0.025 . 2 . . . A 55 SER HB2 . 17806 1 602 . 1 1 55 55 SER HB3 H 1 4.271 0.025 . 2 . . . A 55 SER HB3 . 17806 1 603 . 1 1 55 55 SER C C 13 172.109 0.16 . 1 . . . A 55 SER C . 17806 1 604 . 1 1 55 55 SER CA C 13 53.397 0.16 . 1 . . . A 55 SER CA . 17806 1 605 . 1 1 55 55 SER CB C 13 63.331 0.16 . 1 . . . A 55 SER CB . 17806 1 606 . 1 1 55 55 SER N N 15 120.367 0.12 . 1 . . . A 55 SER N . 17806 1 607 . 1 1 56 56 ASP H H 1 8.369 0.025 . 1 . . . A 56 ASP H . 17806 1 608 . 1 1 56 56 ASP HA H 1 4.392 0.025 . 1 . . . A 56 ASP HA . 17806 1 609 . 1 1 56 56 ASP HB2 H 1 2.588 0.025 . 2 . . . A 56 ASP HB2 . 17806 1 610 . 1 1 56 56 ASP HB3 H 1 2.666 0.025 . 2 . . . A 56 ASP HB3 . 17806 1 611 . 1 1 56 56 ASP C C 13 175.957 0.16 . 1 . . . A 56 ASP C . 17806 1 612 . 1 1 56 56 ASP CA C 13 56.602 0.16 . 1 . . . A 56 ASP CA . 17806 1 613 . 1 1 56 56 ASP CB C 13 39.365 0.16 . 1 . . . A 56 ASP CB . 17806 1 614 . 1 1 56 56 ASP N N 15 119.741 0.12 . 1 . . . A 56 ASP N . 17806 1 615 . 1 1 57 57 GLU H H 1 8.329 0.025 . 1 . . . A 57 GLU H . 17806 1 616 . 1 1 57 57 GLU HA H 1 4.045 0.025 . 1 . . . A 57 GLU HA . 17806 1 617 . 1 1 57 57 GLU HB2 H 1 1.943 0.025 . 2 . . . A 57 GLU HB2 . 17806 1 618 . 1 1 57 57 GLU HB3 H 1 1.899 0.025 . 2 . . . A 57 GLU HB3 . 17806 1 619 . 1 1 57 57 GLU HG2 H 1 2.275 0.025 . 2 . . . A 57 GLU HG2 . 17806 1 620 . 1 1 57 57 GLU HG3 H 1 2.275 0.025 . 2 . . . A 57 GLU HG3 . 17806 1 621 . 1 1 57 57 GLU C C 13 176.187 0.16 . 1 . . . A 57 GLU C . 17806 1 622 . 1 1 57 57 GLU CA C 13 56.535 0.16 . 1 . . . A 57 GLU CA . 17806 1 623 . 1 1 57 57 GLU CB C 13 26.381 0.16 . 1 . . . A 57 GLU CB . 17806 1 624 . 1 1 57 57 GLU CG C 13 33.394 0.16 . 1 . . . A 57 GLU CG . 17806 1 625 . 1 1 57 57 GLU N N 15 117.479 0.12 . 1 . . . A 57 GLU N . 17806 1 626 . 1 1 58 58 GLU H H 1 7.789 0.025 . 1 . . . A 58 GLU H . 17806 1 627 . 1 1 58 58 GLU HA H 1 4.212 0.025 . 1 . . . A 58 GLU HA . 17806 1 628 . 1 1 58 58 GLU HB2 H 1 2.217 0.025 . 2 . . . A 58 GLU HB2 . 17806 1 629 . 1 1 58 58 GLU HB3 H 1 2.140 0.025 . 2 . . . A 58 GLU HB3 . 17806 1 630 . 1 1 58 58 GLU HG2 H 1 2.253 0.025 . 2 . . . A 58 GLU HG2 . 17806 1 631 . 1 1 58 58 GLU HG3 H 1 2.599 0.025 . 2 . . . A 58 GLU HG3 . 17806 1 632 . 1 1 58 58 GLU C C 13 174.076 0.16 . 1 . . . A 58 GLU C . 17806 1 633 . 1 1 58 58 GLU CA C 13 56.515 0.16 . 1 . . . A 58 GLU CA . 17806 1 634 . 1 1 58 58 GLU CB C 13 27.368 0.16 . 1 . . . A 58 GLU CB . 17806 1 635 . 1 1 58 58 GLU CG C 13 34.238 0.16 . 1 . . . A 58 GLU CG . 17806 1 636 . 1 1 58 58 GLU N N 15 118.716 0.12 . 1 . . . A 58 GLU N . 17806 1 637 . 1 1 59 59 LEU H H 1 7.746 0.025 . 1 . . . A 59 LEU H . 17806 1 638 . 1 1 59 59 LEU HA H 1 4.430 0.025 . 1 . . . A 59 LEU HA . 17806 1 639 . 1 1 59 59 LEU HB2 H 1 1.960 0.025 . 2 . . . A 59 LEU HB2 . 17806 1 640 . 1 1 59 59 LEU HB3 H 1 1.623 0.025 . 2 . . . A 59 LEU HB3 . 17806 1 641 . 1 1 59 59 LEU HG H 1 1.470 0.025 . 1 . . . A 59 LEU HG . 17806 1 642 . 1 1 59 59 LEU HD11 H 1 0.532 0.025 . . . . . A 59 LEU HD11 . 17806 1 643 . 1 1 59 59 LEU HD12 H 1 0.532 0.025 . . . . . A 59 LEU HD12 . 17806 1 644 . 1 1 59 59 LEU HD13 H 1 0.532 0.025 . . . . . A 59 LEU HD13 . 17806 1 645 . 1 1 59 59 LEU HD21 H 1 0.641 0.025 . . . . . A 59 LEU HD21 . 17806 1 646 . 1 1 59 59 LEU HD22 H 1 0.641 0.025 . . . . . A 59 LEU HD22 . 17806 1 647 . 1 1 59 59 LEU HD23 H 1 0.641 0.025 . . . . . A 59 LEU HD23 . 17806 1 648 . 1 1 59 59 LEU C C 13 172.911 0.16 . 1 . . . A 59 LEU C . 17806 1 649 . 1 1 59 59 LEU CA C 13 50.670 0.16 . 1 . . . A 59 LEU CA . 17806 1 650 . 1 1 59 59 LEU CB C 13 39.169 0.16 . 1 . . . A 59 LEU CB . 17806 1 651 . 1 1 59 59 LEU CG C 13 23.789 0.16 . 1 . . . A 59 LEU CG . 17806 1 652 . 1 1 59 59 LEU CD1 C 13 19.145 0.16 . 2 . . . A 59 LEU CD1 . 17806 1 653 . 1 1 59 59 LEU CD2 C 13 24.012 0.16 . 2 . . . A 59 LEU CD2 . 17806 1 654 . 1 1 59 59 LEU N N 15 116.833 0.12 . 1 . . . A 59 LEU N . 17806 1 655 . 1 1 60 60 ALA H H 1 7.294 0.025 . 1 . . . A 60 ALA H . 17806 1 656 . 1 1 60 60 ALA HA H 1 4.569 0.025 . 1 . . . A 60 ALA HA . 17806 1 657 . 1 1 60 60 ALA HB1 H 1 1.499 0.025 . . . . . A 60 ALA HB1 . 17806 1 658 . 1 1 60 60 ALA HB2 H 1 1.499 0.025 . . . . . A 60 ALA HB2 . 17806 1 659 . 1 1 60 60 ALA HB3 H 1 1.499 0.025 . . . . . A 60 ALA HB3 . 17806 1 660 . 1 1 60 60 ALA C C 13 174.596 0.16 . 1 . . . A 60 ALA C . 17806 1 661 . 1 1 60 60 ALA CA C 13 50.436 0.16 . 1 . . . A 60 ALA CA . 17806 1 662 . 1 1 60 60 ALA CB C 13 16.173 0.16 . 1 . . . A 60 ALA CB . 17806 1 663 . 1 1 60 60 ALA N N 15 121.791 0.12 . 1 . . . A 60 ALA N . 17806 1 664 . 1 1 61 61 VAL H H 1 6.768 0.025 . 1 . . . A 61 VAL H . 17806 1 665 . 1 1 61 61 VAL HA H 1 4.540 0.025 . 1 . . . A 61 VAL HA . 17806 1 666 . 1 1 61 61 VAL HB H 1 2.298 0.025 . 1 . . . A 61 VAL HB . 17806 1 667 . 1 1 61 61 VAL HG11 H 1 0.819 0.025 . . . . . A 61 VAL HG11 . 17806 1 668 . 1 1 61 61 VAL HG12 H 1 0.819 0.025 . . . . . A 61 VAL HG12 . 17806 1 669 . 1 1 61 61 VAL HG13 H 1 0.819 0.025 . . . . . A 61 VAL HG13 . 17806 1 670 . 1 1 61 61 VAL HG21 H 1 0.953 0.025 . . . . . A 61 VAL HG21 . 17806 1 671 . 1 1 61 61 VAL HG22 H 1 0.953 0.025 . . . . . A 61 VAL HG22 . 17806 1 672 . 1 1 61 61 VAL HG23 H 1 0.953 0.025 . . . . . A 61 VAL HG23 . 17806 1 673 . 1 1 61 61 VAL C C 13 171.870 0.16 . 1 . . . A 61 VAL C . 17806 1 674 . 1 1 61 61 VAL CA C 13 56.374 0.16 . 1 . . . A 61 VAL CA . 17806 1 675 . 1 1 61 61 VAL CB C 13 30.988 0.16 . 1 . . . A 61 VAL CB . 17806 1 676 . 1 1 61 61 VAL CG1 C 13 15.599 0.16 . 2 . . . A 61 VAL CG1 . 17806 1 677 . 1 1 61 61 VAL CG2 C 13 18.813 0.16 . 2 . . . A 61 VAL CG2 . 17806 1 678 . 1 1 61 61 VAL N N 15 109.641 0.12 . 1 . . . A 61 VAL N . 17806 1 679 . 1 1 62 62 GLU H H 1 8.648 0.025 . 1 . . . A 62 GLU H . 17806 1 680 . 1 1 62 62 GLU HA H 1 3.628 0.025 . 1 . . . A 62 GLU HA . 17806 1 681 . 1 1 62 62 GLU HB2 H 1 2.128 0.025 . 2 . . . A 62 GLU HB2 . 17806 1 682 . 1 1 62 62 GLU HB3 H 1 2.128 0.025 . 2 . . . A 62 GLU HB3 . 17806 1 683 . 1 1 62 62 GLU HG2 H 1 2.478 0.025 . 2 . . . A 62 GLU HG2 . 17806 1 684 . 1 1 62 62 GLU HG3 H 1 2.509 0.025 . 2 . . . A 62 GLU HG3 . 17806 1 685 . 1 1 62 62 GLU C C 13 172.445 0.16 . 1 . . . A 62 GLU C . 17806 1 686 . 1 1 62 62 GLU CA C 13 56.944 0.16 . 1 . . . A 62 GLU CA . 17806 1 687 . 1 1 62 62 GLU CB C 13 27.491 0.16 . 1 . . . A 62 GLU CB . 17806 1 688 . 1 1 62 62 GLU CG C 13 34.323 0.16 . 1 . . . A 62 GLU CG . 17806 1 689 . 1 1 62 62 GLU N N 15 117.682 0.12 . 1 . . . A 62 GLU N . 17806 1 690 . 1 1 63 63 LYS H H 1 7.435 0.025 . 1 . . . A 63 LYS H . 17806 1 691 . 1 1 63 63 LYS HA H 1 5.395 0.025 . 1 . . . A 63 LYS HA . 17806 1 692 . 1 1 63 63 LYS HB2 H 1 1.634 0.025 . 2 . . . A 63 LYS HB2 . 17806 1 693 . 1 1 63 63 LYS HG2 H 1 1.069 0.025 . 2 . . . A 63 LYS HG2 . 17806 1 694 . 1 1 63 63 LYS HG3 H 1 1.069 0.025 . 2 . . . A 63 LYS HG3 . 17806 1 695 . 1 1 63 63 LYS HD2 H 1 1.540 0.025 . 2 . . . A 63 LYS HD2 . 17806 1 696 . 1 1 63 63 LYS HD3 H 1 1.540 0.025 . 2 . . . A 63 LYS HD3 . 17806 1 697 . 1 1 63 63 LYS HE2 H 1 2.689 0.025 . 2 . . . A 63 LYS HE2 . 17806 1 698 . 1 1 63 63 LYS HE3 H 1 2.689 0.025 . 2 . . . A 63 LYS HE3 . 17806 1 699 . 1 1 63 63 LYS C C 13 171.966 0.16 . 1 . . . A 63 LYS C . 17806 1 700 . 1 1 63 63 LYS CA C 13 52.108 0.16 . 1 . . . A 63 LYS CA . 17806 1 701 . 1 1 63 63 LYS CB C 13 32.957 0.16 . 1 . . . A 63 LYS CB . 17806 1 702 . 1 1 63 63 LYS CG C 13 22.712 0.16 . 1 . . . A 63 LYS CG . 17806 1 703 . 1 1 63 63 LYS CD C 13 26.890 0.16 . 1 . . . A 63 LYS CD . 17806 1 704 . 1 1 63 63 LYS N N 15 117.306 0.12 . 1 . . . A 63 LYS N . 17806 1 705 . 1 1 64 64 VAL H H 1 8.528 0.025 . 1 . . . A 64 VAL H . 17806 1 706 . 1 1 64 64 VAL HA H 1 4.228 0.025 . 1 . . . A 64 VAL HA . 17806 1 707 . 1 1 64 64 VAL HB H 1 1.607 0.025 . 1 . . . A 64 VAL HB . 17806 1 708 . 1 1 64 64 VAL HG11 H 1 0.718 0.025 . . . . . A 64 VAL HG11 . 17806 1 709 . 1 1 64 64 VAL HG12 H 1 0.718 0.025 . . . . . A 64 VAL HG12 . 17806 1 710 . 1 1 64 64 VAL HG13 H 1 0.718 0.025 . . . . . A 64 VAL HG13 . 17806 1 711 . 1 1 64 64 VAL HG21 H 1 0.718 0.025 . . . . . A 64 VAL HG21 . 17806 1 712 . 1 1 64 64 VAL HG22 H 1 0.718 0.025 . . . . . A 64 VAL HG22 . 17806 1 713 . 1 1 64 64 VAL HG23 H 1 0.718 0.025 . . . . . A 64 VAL HG23 . 17806 1 714 . 1 1 64 64 VAL C C 13 171.468 0.16 . 1 . . . A 64 VAL C . 17806 1 715 . 1 1 64 64 VAL CA C 13 58.285 0.16 . 1 . . . A 64 VAL CA . 17806 1 716 . 1 1 64 64 VAL CB C 13 32.832 0.16 . 1 . . . A 64 VAL CB . 17806 1 717 . 1 1 64 64 VAL CG1 C 13 18.216 0.16 . 2 . . . A 64 VAL CG1 . 17806 1 718 . 1 1 64 64 VAL CG2 C 13 18.216 0.16 . 2 . . . A 64 VAL CG2 . 17806 1 719 . 1 1 64 64 VAL N N 15 125.885 0.12 . 1 . . . A 64 VAL N . 17806 1 720 . 1 1 65 65 THR H H 1 8.858 0.025 . 1 . . . A 65 THR H . 17806 1 721 . 1 1 65 65 THR HA H 1 5.227 0.025 . 1 . . . A 65 THR HA . 17806 1 722 . 1 1 65 65 THR HB H 1 3.742 0.025 . 1 . . . A 65 THR HB . 17806 1 723 . 1 1 65 65 THR HG21 H 1 1.021 0.025 . . . . . A 65 THR HG21 . 17806 1 724 . 1 1 65 65 THR HG22 H 1 1.021 0.025 . . . . . A 65 THR HG22 . 17806 1 725 . 1 1 65 65 THR HG23 H 1 1.021 0.025 . . . . . A 65 THR HG23 . 17806 1 726 . 1 1 65 65 THR C C 13 170.784 0.16 . 1 . . . A 65 THR C . 17806 1 727 . 1 1 65 65 THR CA C 13 58.357 0.16 . 1 . . . A 65 THR CA . 17806 1 728 . 1 1 65 65 THR CB C 13 68.988 0.16 . 1 . . . A 65 THR CB . 17806 1 729 . 1 1 65 65 THR CG2 C 13 18.309 0.16 . 1 . . . A 65 THR CG2 . 17806 1 730 . 1 1 65 65 THR N N 15 122.384 0.12 . 1 . . . A 65 THR N . 17806 1 731 . 1 1 66 66 LEU H H 1 8.796 0.025 . 1 . . . A 66 LEU H . 17806 1 732 . 1 1 66 66 LEU HA H 1 5.366 0.025 . 1 . . . A 66 LEU HA . 17806 1 733 . 1 1 66 66 LEU HB2 H 1 1.259 0.025 . 2 . . . A 66 LEU HB2 . 17806 1 734 . 1 1 66 66 LEU HB3 H 1 1.596 0.025 . 2 . . . A 66 LEU HB3 . 17806 1 735 . 1 1 66 66 LEU HG H 1 1.567 0.025 . 1 . . . A 66 LEU HG . 17806 1 736 . 1 1 66 66 LEU HD11 H 1 0.717 0.025 . . . . . A 66 LEU HD11 . 17806 1 737 . 1 1 66 66 LEU HD12 H 1 0.717 0.025 . . . . . A 66 LEU HD12 . 17806 1 738 . 1 1 66 66 LEU HD13 H 1 0.717 0.025 . . . . . A 66 LEU HD13 . 17806 1 739 . 1 1 66 66 LEU HD21 H 1 0.848 0.025 . . . . . A 66 LEU HD21 . 17806 1 740 . 1 1 66 66 LEU HD22 H 1 0.848 0.025 . . . . . A 66 LEU HD22 . 17806 1 741 . 1 1 66 66 LEU HD23 H 1 0.848 0.025 . . . . . A 66 LEU HD23 . 17806 1 742 . 1 1 66 66 LEU C C 13 172.713 0.16 . 1 . . . A 66 LEU C . 17806 1 743 . 1 1 66 66 LEU CA C 13 50.739 0.16 . 1 . . . A 66 LEU CA . 17806 1 744 . 1 1 66 66 LEU CB C 13 44.416 0.16 . 1 . . . A 66 LEU CB . 17806 1 745 . 1 1 66 66 LEU CG C 13 24.877 0.16 . 1 . . . A 66 LEU CG . 17806 1 746 . 1 1 66 66 LEU CD1 C 13 23.952 0.16 . 2 . . . A 66 LEU CD1 . 17806 1 747 . 1 1 66 66 LEU CD2 C 13 21.738 0.16 . 2 . . . A 66 LEU CD2 . 17806 1 748 . 1 1 66 66 LEU N N 15 125.107 0.12 . 1 . . . A 66 LEU N . 17806 1 749 . 1 1 67 67 SER H H 1 8.358 0.025 . 1 . . . A 67 SER H . 17806 1 750 . 1 1 67 67 SER HA H 1 5.333 0.025 . 1 . . . A 67 SER HA . 17806 1 751 . 1 1 67 67 SER HB2 H 1 3.717 0.025 . 2 . . . A 67 SER HB2 . 17806 1 752 . 1 1 67 67 SER HB3 H 1 3.834 0.025 . 2 . . . A 67 SER HB3 . 17806 1 753 . 1 1 67 67 SER C C 13 171.414 0.16 . 1 . . . A 67 SER C . 17806 1 754 . 1 1 67 67 SER CA C 13 53.149 0.16 . 1 . . . A 67 SER CA . 17806 1 755 . 1 1 67 67 SER CB C 13 62.433 0.16 . 1 . . . A 67 SER CB . 17806 1 756 . 1 1 67 67 SER N N 15 114.475 0.12 . 1 . . . A 67 SER N . 17806 1 757 . 1 1 68 68 THR H H 1 9.039 0.025 . 1 . . . A 68 THR H . 17806 1 758 . 1 1 68 68 THR HA H 1 5.058 0.025 . 1 . . . A 68 THR HA . 17806 1 759 . 1 1 68 68 THR HB H 1 5.024 0.025 . 1 . . . A 68 THR HB . 17806 1 760 . 1 1 68 68 THR HG21 H 1 1.300 0.025 . . . . . A 68 THR HG21 . 17806 1 761 . 1 1 68 68 THR HG22 H 1 1.300 0.025 . . . . . A 68 THR HG22 . 17806 1 762 . 1 1 68 68 THR HG23 H 1 1.300 0.025 . . . . . A 68 THR HG23 . 17806 1 763 . 1 1 68 68 THR C C 13 173.612 0.16 . 1 . . . A 68 THR C . 17806 1 764 . 1 1 68 68 THR CA C 13 58.549 0.16 . 1 . . . A 68 THR CA . 17806 1 765 . 1 1 68 68 THR CB C 13 66.452 0.16 . 1 . . . A 68 THR CB . 17806 1 766 . 1 1 68 68 THR CG2 C 13 21.066 0.16 . 1 . . . A 68 THR CG2 . 17806 1 767 . 1 1 68 68 THR N N 15 114.239 0.12 . 1 . . . A 68 THR N . 17806 1 768 . 1 1 69 69 THR H H 1 8.626 0.025 . 1 . . . A 69 THR H . 17806 1 769 . 1 1 69 69 THR HA H 1 3.972 0.025 . 1 . . . A 69 THR HA . 17806 1 770 . 1 1 69 69 THR HB H 1 4.175 0.025 . 1 . . . A 69 THR HB . 17806 1 771 . 1 1 69 69 THR HG21 H 1 0.989 0.025 . . . . . A 69 THR HG21 . 17806 1 772 . 1 1 69 69 THR HG22 H 1 0.989 0.025 . . . . . A 69 THR HG22 . 17806 1 773 . 1 1 69 69 THR HG23 H 1 0.989 0.025 . . . . . A 69 THR HG23 . 17806 1 774 . 1 1 69 69 THR C C 13 172.686 0.16 . 1 . . . A 69 THR C . 17806 1 775 . 1 1 69 69 THR CA C 13 60.677 0.16 . 1 . . . A 69 THR CA . 17806 1 776 . 1 1 69 69 THR CB C 13 65.089 0.16 . 1 . . . A 69 THR CB . 17806 1 777 . 1 1 69 69 THR CG2 C 13 20.360 0.16 . 1 . . . A 69 THR CG2 . 17806 1 778 . 1 1 69 69 THR N N 15 115.512 0.12 . 1 . . . A 69 THR N . 17806 1 779 . 1 1 70 70 GLY H H 1 7.585 0.025 . 1 . . . A 70 GLY H . 17806 1 780 . 1 1 70 70 GLY HA2 H 1 4.140 0.025 . 2 . . . A 70 GLY HA2 . 17806 1 781 . 1 1 70 70 GLY HA3 H 1 3.638 0.025 . 2 . . . A 70 GLY HA3 . 17806 1 782 . 1 1 70 70 GLY C C 13 169.830 0.16 . 1 . . . A 70 GLY C . 17806 1 783 . 1 1 70 70 GLY CA C 13 40.969 0.16 . 1 . . . A 70 GLY CA . 17806 1 784 . 1 1 70 70 GLY N N 15 112.649 0.12 . 1 . . . A 70 GLY N . 17806 1 785 . 1 1 71 71 LYS H H 1 8.301 0.025 . 1 . . . A 71 LYS H . 17806 1 786 . 1 1 71 71 LYS HA H 1 3.737 0.025 . 1 . . . A 71 LYS HA . 17806 1 787 . 1 1 71 71 LYS HB2 H 1 1.492 0.025 . 2 . . . A 71 LYS HB2 . 17806 1 788 . 1 1 71 71 LYS HB3 H 1 1.191 0.025 . 2 . . . A 71 LYS HB3 . 17806 1 789 . 1 1 71 71 LYS HG2 H 1 1.301 0.025 . 2 . . . A 71 LYS HG2 . 17806 1 790 . 1 1 71 71 LYS HG3 H 1 1.301 0.025 . 2 . . . A 71 LYS HG3 . 17806 1 791 . 1 1 71 71 LYS HD2 H 1 1.312 0.025 . 2 . . . A 71 LYS HD2 . 17806 1 792 . 1 1 71 71 LYS HD3 H 1 1.312 0.025 . 2 . . . A 71 LYS HD3 . 17806 1 793 . 1 1 71 71 LYS HE2 H 1 3.755 0.025 . 2 . . . A 71 LYS HE2 . 17806 1 794 . 1 1 71 71 LYS HE3 H 1 3.988 0.025 . 2 . . . A 71 LYS HE3 . 17806 1 795 . 1 1 71 71 LYS C C 13 173.223 0.16 . 1 . . . A 71 LYS C . 17806 1 796 . 1 1 71 71 LYS CA C 13 54.715 0.16 . 1 . . . A 71 LYS CA . 17806 1 797 . 1 1 71 71 LYS CB C 13 30.657 0.16 . 1 . . . A 71 LYS CB . 17806 1 798 . 1 1 71 71 LYS CG C 13 21.035 0.16 . 1 . . . A 71 LYS CG . 17806 1 799 . 1 1 71 71 LYS CD C 13 26.710 0.16 . 1 . . . A 71 LYS CD . 17806 1 800 . 1 1 71 71 LYS CE C 13 41.827 0.16 . 1 . . . A 71 LYS CE . 17806 1 801 . 1 1 71 71 LYS N N 15 120.451 0.12 . 1 . . . A 71 LYS N . 17806 1 802 . 1 1 72 72 ALA H H 1 9.155 0.025 . 1 . . . A 72 ALA H . 17806 1 803 . 1 1 72 72 ALA HA H 1 4.850 0.025 . 1 . . . A 72 ALA HA . 17806 1 804 . 1 1 72 72 ALA HB1 H 1 1.556 0.025 . . . . . A 72 ALA HB1 . 17806 1 805 . 1 1 72 72 ALA HB2 H 1 1.556 0.025 . . . . . A 72 ALA HB2 . 17806 1 806 . 1 1 72 72 ALA HB3 H 1 1.556 0.025 . . . . . A 72 ALA HB3 . 17806 1 807 . 1 1 72 72 ALA C C 13 175.406 0.16 . 1 . . . A 72 ALA C . 17806 1 808 . 1 1 72 72 ALA CA C 13 46.988 0.16 . 1 . . . A 72 ALA CA . 17806 1 809 . 1 1 72 72 ALA CB C 13 19.325 0.16 . 1 . . . A 72 ALA CB . 17806 1 810 . 1 1 72 72 ALA N N 15 123.707 0.12 . 1 . . . A 72 ALA N . 17806 1 811 . 1 1 73 73 ILE H H 1 8.625 0.025 . 1 . . . A 73 ILE H . 17806 1 812 . 1 1 73 73 ILE HA H 1 4.053 0.025 . 1 . . . A 73 ILE HA . 17806 1 813 . 1 1 73 73 ILE HB H 1 1.830 0.025 . 1 . . . A 73 ILE HB . 17806 1 814 . 1 1 73 73 ILE HG12 H 1 1.404 0.025 . 2 . . . A 73 ILE HG12 . 17806 1 815 . 1 1 73 73 ILE HG13 H 1 1.127 0.025 . 2 . . . A 73 ILE HG13 . 17806 1 816 . 1 1 73 73 ILE HG21 H 1 0.877 0.025 . . . . . A 73 ILE HG21 . 17806 1 817 . 1 1 73 73 ILE HG22 H 1 0.877 0.025 . . . . . A 73 ILE HG22 . 17806 1 818 . 1 1 73 73 ILE HG23 H 1 0.877 0.025 . . . . . A 73 ILE HG23 . 17806 1 819 . 1 1 73 73 ILE HD11 H 1 0.767 0.025 . . . . . A 73 ILE HD11 . 17806 1 820 . 1 1 73 73 ILE HD12 H 1 0.767 0.025 . . . . . A 73 ILE HD12 . 17806 1 821 . 1 1 73 73 ILE HD13 H 1 0.767 0.025 . . . . . A 73 ILE HD13 . 17806 1 822 . 1 1 73 73 ILE C C 13 173.411 0.16 . 1 . . . A 73 ILE C . 17806 1 823 . 1 1 73 73 ILE CA C 13 59.751 0.16 . 1 . . . A 73 ILE CA . 17806 1 824 . 1 1 73 73 ILE CB C 13 36.151 0.16 . 1 . . . A 73 ILE CB . 17806 1 825 . 1 1 73 73 ILE CG1 C 13 24.735 0.16 . 1 . . . A 73 ILE CG1 . 17806 1 826 . 1 1 73 73 ILE CG2 C 13 15.423 0.16 . 1 . . . A 73 ILE CG2 . 17806 1 827 . 1 1 73 73 ILE CD1 C 13 10.229 0.16 . 1 . . . A 73 ILE CD1 . 17806 1 828 . 1 1 73 73 ILE N N 15 120.092 0.12 . 1 . . . A 73 ILE N . 17806 1 829 . 1 1 74 74 GLU H H 1 7.302 0.025 . 1 . . . A 74 GLU H . 17806 1 830 . 1 1 74 74 GLU HA H 1 4.869 0.025 . 1 . . . A 74 GLU HA . 17806 1 831 . 1 1 74 74 GLU HB2 H 1 2.056 0.025 . 2 . . . A 74 GLU HB2 . 17806 1 832 . 1 1 74 74 GLU HB3 H 1 1.895 0.025 . 2 . . . A 74 GLU HB3 . 17806 1 833 . 1 1 74 74 GLU HG2 H 1 2.307 0.025 . 2 . . . A 74 GLU HG2 . 17806 1 834 . 1 1 74 74 GLU HG3 H 1 2.153 0.025 . 2 . . . A 74 GLU HG3 . 17806 1 835 . 1 1 74 74 GLU C C 13 171.037 0.16 . 1 . . . A 74 GLU C . 17806 1 836 . 1 1 74 74 GLU CA C 13 52.356 0.16 . 1 . . . A 74 GLU CA . 17806 1 837 . 1 1 74 74 GLU CB C 13 31.867 0.16 . 1 . . . A 74 GLU CB . 17806 1 838 . 1 1 74 74 GLU CG C 13 34.261 0.16 . 1 . . . A 74 GLU CG . 17806 1 839 . 1 1 74 74 GLU N N 15 115.157 0.12 . 1 . . . A 74 GLU N . 17806 1 840 . 1 1 75 75 PHE H H 1 8.665 0.025 . 1 . . . A 75 PHE H . 17806 1 841 . 1 1 75 75 PHE HA H 1 5.160 0.025 . 1 . . . A 75 PHE HA . 17806 1 842 . 1 1 75 75 PHE HB2 H 1 1.609 0.025 . 2 . . . A 75 PHE HB2 . 17806 1 843 . 1 1 75 75 PHE HB3 H 1 1.609 0.025 . 2 . . . A 75 PHE HB3 . 17806 1 844 . 1 1 75 75 PHE HD1 H 1 6.648 0.025 . 3 . . . A 75 PHE HD1 . 17806 1 845 . 1 1 75 75 PHE HD2 H 1 6.648 0.025 . 3 . . . A 75 PHE HD2 . 17806 1 846 . 1 1 75 75 PHE HE1 H 1 6.881 0.025 . 3 . . . A 75 PHE HE1 . 17806 1 847 . 1 1 75 75 PHE HE2 H 1 6.881 0.025 . 3 . . . A 75 PHE HE2 . 17806 1 848 . 1 1 75 75 PHE C C 13 169.375 0.16 . 1 . . . A 75 PHE C . 17806 1 849 . 1 1 75 75 PHE CA C 13 53.041 0.16 . 1 . . . A 75 PHE CA . 17806 1 850 . 1 1 75 75 PHE CB C 13 39.866 0.16 . 1 . . . A 75 PHE CB . 17806 1 851 . 1 1 75 75 PHE CD1 C 13 127.247 0.16 . 3 . . . A 75 PHE CD1 . 17806 1 852 . 1 1 75 75 PHE CD2 C 13 127.247 0.16 . 3 . . . A 75 PHE CD2 . 17806 1 853 . 1 1 75 75 PHE CE1 C 13 120.834 0.16 . 3 . . . A 75 PHE CE1 . 17806 1 854 . 1 1 75 75 PHE CE2 C 13 120.832 0.16 . 3 . . . A 75 PHE CE2 . 17806 1 855 . 1 1 75 75 PHE N N 15 124.407 0.12 . 1 . . . A 75 PHE N . 17806 1 856 . 1 1 76 76 ALA H H 1 8.537 0.025 . 1 . . . A 76 ALA H . 17806 1 857 . 1 1 76 76 ALA HA H 1 4.966 0.025 . 1 . . . A 76 ALA HA . 17806 1 858 . 1 1 76 76 ALA HB1 H 1 1.264 0.025 . . . . . A 76 ALA HB1 . 17806 1 859 . 1 1 76 76 ALA HB2 H 1 1.264 0.025 . . . . . A 76 ALA HB2 . 17806 1 860 . 1 1 76 76 ALA HB3 H 1 1.264 0.025 . . . . . A 76 ALA HB3 . 17806 1 861 . 1 1 76 76 ALA C C 13 172.126 0.16 . 1 . . . A 76 ALA C . 17806 1 862 . 1 1 76 76 ALA CA C 13 47.670 0.16 . 1 . . . A 76 ALA CA . 17806 1 863 . 1 1 76 76 ALA CB C 13 20.456 0.16 . 1 . . . A 76 ALA CB . 17806 1 864 . 1 1 76 76 ALA N N 15 128.560 0.12 . 1 . . . A 76 ALA N . 17806 1 865 . 1 1 77 77 VAL H H 1 8.159 0.025 . 1 . . . A 77 VAL H . 17806 1 866 . 1 1 77 77 VAL HA H 1 4.686 0.025 . 1 . . . A 77 VAL HA . 17806 1 867 . 1 1 77 77 VAL HB H 1 1.729 0.025 . 1 . . . A 77 VAL HB . 17806 1 868 . 1 1 77 77 VAL HG11 H 1 0.595 0.025 . . . . . A 77 VAL HG11 . 17806 1 869 . 1 1 77 77 VAL HG12 H 1 0.595 0.025 . . . . . A 77 VAL HG12 . 17806 1 870 . 1 1 77 77 VAL HG13 H 1 0.595 0.025 . . . . . A 77 VAL HG13 . 17806 1 871 . 1 1 77 77 VAL HG21 H 1 0.549 0.025 . . . . . A 77 VAL HG21 . 17806 1 872 . 1 1 77 77 VAL HG22 H 1 0.549 0.025 . . . . . A 77 VAL HG22 . 17806 1 873 . 1 1 77 77 VAL HG23 H 1 0.549 0.025 . . . . . A 77 VAL HG23 . 17806 1 874 . 1 1 77 77 VAL C C 13 171.034 0.16 . 1 . . . A 77 VAL C . 17806 1 875 . 1 1 77 77 VAL CA C 13 57.832 0.16 . 1 . . . A 77 VAL CA . 17806 1 876 . 1 1 77 77 VAL CB C 13 32.795 0.16 . 1 . . . A 77 VAL CB . 17806 1 877 . 1 1 77 77 VAL CG1 C 13 18.443 0.16 . 2 . . . A 77 VAL CG1 . 17806 1 878 . 1 1 77 77 VAL CG2 C 13 18.443 0.16 . 2 . . . A 77 VAL CG2 . 17806 1 879 . 1 1 77 77 VAL N N 15 119.281 0.12 . 1 . . . A 77 VAL N . 17806 1 880 . 1 1 78 78 SER H H 1 9.014 0.025 . 1 . . . A 78 SER H . 17806 1 881 . 1 1 78 78 SER HA H 1 5.197 0.025 . 1 . . . A 78 SER HA . 17806 1 882 . 1 1 78 78 SER HB2 H 1 3.852 0.025 . 2 . . . A 78 SER HB2 . 17806 1 883 . 1 1 78 78 SER HB3 H 1 3.852 0.025 . 2 . . . A 78 SER HB3 . 17806 1 884 . 1 1 78 78 SER C C 13 170.082 0.16 . 1 . . . A 78 SER C . 17806 1 885 . 1 1 78 78 SER CA C 13 53.135 0.16 . 1 . . . A 78 SER CA . 17806 1 886 . 1 1 78 78 SER CB C 13 63.382 0.16 . 1 . . . A 78 SER CB . 17806 1 887 . 1 1 78 78 SER N N 15 121.585 0.12 . 1 . . . A 78 SER N . 17806 1 888 . 1 1 79 79 GLY H H 1 8.421 0.025 . 1 . . . A 79 GLY H . 17806 1 889 . 1 1 79 79 GLY HA2 H 1 4.523 0.025 . 2 . . . A 79 GLY HA2 . 17806 1 890 . 1 1 79 79 GLY HA3 H 1 4.523 0.025 . 2 . . . A 79 GLY HA3 . 17806 1 891 . 1 1 79 79 GLY C C 13 169.335 0.16 . 1 . . . A 79 GLY C . 17806 1 892 . 1 1 79 79 GLY CA C 13 43.660 0.16 . 1 . . . A 79 GLY CA . 17806 1 893 . 1 1 79 79 GLY N N 15 107.939 0.12 . 1 . . . A 79 GLY N . 17806 1 894 . 1 1 80 80 GLY H H 1 8.883 0.025 . 1 . . . A 80 GLY H . 17806 1 895 . 1 1 80 80 GLY HA2 H 1 4.370 0.025 . 2 . . . A 80 GLY HA2 . 17806 1 896 . 1 1 80 80 GLY HA3 H 1 4.121 0.025 . 2 . . . A 80 GLY HA3 . 17806 1 897 . 1 1 80 80 GLY C C 13 168.660 0.16 . 1 . . . A 80 GLY C . 17806 1 898 . 1 1 80 80 GLY CA C 13 43.261 0.16 . 1 . . . A 80 GLY CA . 17806 1 899 . 1 1 80 80 GLY N N 15 106.729 0.12 . 1 . . . A 80 GLY N . 17806 1 900 . 1 1 81 81 VAL H H 1 7.330 0.025 . 1 . . . A 81 VAL H . 17806 1 901 . 1 1 81 81 VAL HA H 1 4.871 0.025 . 1 . . . A 81 VAL HA . 17806 1 902 . 1 1 81 81 VAL HB H 1 0.502 0.025 . 1 . . . A 81 VAL HB . 17806 1 903 . 1 1 81 81 VAL HG11 H 1 -0.711 0.025 . . . . . A 81 VAL HG11 . 17806 1 904 . 1 1 81 81 VAL HG12 H 1 -0.711 0.025 . . . . . A 81 VAL HG12 . 17806 1 905 . 1 1 81 81 VAL HG13 H 1 -0.711 0.025 . . . . . A 81 VAL HG13 . 17806 1 906 . 1 1 81 81 VAL HG21 H 1 -0.130 0.025 . . . . . A 81 VAL HG21 . 17806 1 907 . 1 1 81 81 VAL HG22 H 1 -0.130 0.025 . . . . . A 81 VAL HG22 . 17806 1 908 . 1 1 81 81 VAL HG23 H 1 -0.130 0.025 . . . . . A 81 VAL HG23 . 17806 1 909 . 1 1 81 81 VAL C C 13 171.333 0.16 . 1 . . . A 81 VAL C . 17806 1 910 . 1 1 81 81 VAL CA C 13 56.520 0.16 . 1 . . . A 81 VAL CA . 17806 1 911 . 1 1 81 81 VAL CB C 13 33.179 0.16 . 1 . . . A 81 VAL CB . 17806 1 912 . 1 1 81 81 VAL CG1 C 13 18.387 0.16 . 2 . . . A 81 VAL CG1 . 17806 1 913 . 1 1 81 81 VAL CG2 C 13 19.746 0.16 . 2 . . . A 81 VAL CG2 . 17806 1 914 . 1 1 81 81 VAL N N 15 115.409 0.12 . 1 . . . A 81 VAL N . 17806 1 915 . 1 1 82 82 VAL H H 1 8.512 0.025 . 1 . . . A 82 VAL H . 17806 1 916 . 1 1 82 82 VAL HA H 1 4.096 0.025 . 1 . . . A 82 VAL HA . 17806 1 917 . 1 1 82 82 VAL HB H 1 1.820 0.025 . 1 . . . A 82 VAL HB . 17806 1 918 . 1 1 82 82 VAL HG11 H 1 0.839 0.025 . . . . . A 82 VAL HG11 . 17806 1 919 . 1 1 82 82 VAL HG12 H 1 0.839 0.025 . . . . . A 82 VAL HG12 . 17806 1 920 . 1 1 82 82 VAL HG13 H 1 0.839 0.025 . . . . . A 82 VAL HG13 . 17806 1 921 . 1 1 82 82 VAL HG21 H 1 0.777 0.025 . . . . . A 82 VAL HG21 . 17806 1 922 . 1 1 82 82 VAL HG22 H 1 0.777 0.025 . . . . . A 82 VAL HG22 . 17806 1 923 . 1 1 82 82 VAL HG23 H 1 0.777 0.025 . . . . . A 82 VAL HG23 . 17806 1 924 . 1 1 82 82 VAL C C 13 171.360 0.16 . 1 . . . A 82 VAL C . 17806 1 925 . 1 1 82 82 VAL CA C 13 57.049 0.16 . 1 . . . A 82 VAL CA . 17806 1 926 . 1 1 82 82 VAL CB C 13 33.767 0.16 . 1 . . . A 82 VAL CB . 17806 1 927 . 1 1 82 82 VAL CG1 C 13 18.653 0.16 . 2 . . . A 82 VAL CG1 . 17806 1 928 . 1 1 82 82 VAL CG2 C 13 18.653 0.16 . 2 . . . A 82 VAL CG2 . 17806 1 929 . 1 1 82 82 VAL N N 15 119.898 0.12 . 1 . . . A 82 VAL N . 17806 1 930 . 1 1 83 83 ASP H H 1 8.378 0.025 . 1 . . . A 83 ASP H . 17806 1 931 . 1 1 83 83 ASP HA H 1 3.988 0.025 . 1 . . . A 83 ASP HA . 17806 1 932 . 1 1 83 83 ASP HB2 H 1 2.828 0.025 . 2 . . . A 83 ASP HB2 . 17806 1 933 . 1 1 83 83 ASP HB3 H 1 2.428 0.025 . 2 . . . A 83 ASP HB3 . 17806 1 934 . 1 1 83 83 ASP C C 13 173.400 0.16 . 1 . . . A 83 ASP C . 17806 1 935 . 1 1 83 83 ASP CA C 13 51.418 0.16 . 1 . . . A 83 ASP CA . 17806 1 936 . 1 1 83 83 ASP CB C 13 37.211 0.16 . 1 . . . A 83 ASP CB . 17806 1 937 . 1 1 83 83 ASP N N 15 124.374 0.12 . 1 . . . A 83 ASP N . 17806 1 938 . 1 1 84 84 GLY H H 1 8.253 0.025 . 1 . . . A 84 GLY H . 17806 1 939 . 1 1 84 84 GLY HA2 H 1 4.148 0.025 . 2 . . . A 84 GLY HA2 . 17806 1 940 . 1 1 84 84 GLY HA3 H 1 3.603 0.025 . 2 . . . A 84 GLY HA3 . 17806 1 941 . 1 1 84 84 GLY C C 13 171.374 0.16 . 1 . . . A 84 GLY C . 17806 1 942 . 1 1 84 84 GLY CA C 13 42.409 0.16 . 1 . . . A 84 GLY CA . 17806 1 943 . 1 1 84 84 GLY N N 15 115.997 0.12 . 1 . . . A 84 GLY N . 17806 1 944 . 1 1 85 85 GLU H H 1 8.568 0.025 . 1 . . . A 85 GLU H . 17806 1 945 . 1 1 85 85 GLU HA H 1 4.612 0.025 . 1 . . . A 85 GLU HA . 17806 1 946 . 1 1 85 85 GLU HB2 H 1 2.032 0.025 . 2 . . . A 85 GLU HB2 . 17806 1 947 . 1 1 85 85 GLU HB3 H 1 1.778 0.025 . 2 . . . A 85 GLU HB3 . 17806 1 948 . 1 1 85 85 GLU HG2 H 1 2.063 0.025 . 2 . . . A 85 GLU HG2 . 17806 1 949 . 1 1 85 85 GLU HG3 H 1 2.194 0.025 . 2 . . . A 85 GLU HG3 . 17806 1 950 . 1 1 85 85 GLU C C 13 173.838 0.16 . 1 . . . A 85 GLU C . 17806 1 951 . 1 1 85 85 GLU CA C 13 51.691 0.16 . 1 . . . A 85 GLU CA . 17806 1 952 . 1 1 85 85 GLU CB C 13 27.573 0.16 . 1 . . . A 85 GLU CB . 17806 1 953 . 1 1 85 85 GLU CG C 13 32.127 0.16 . 1 . . . A 85 GLU CG . 17806 1 954 . 1 1 85 85 GLU N N 15 121.282 0.12 . 1 . . . A 85 GLU N . 17806 1 955 . 1 1 86 86 ASP H H 1 9.121 0.025 . 1 . . . A 86 ASP H . 17806 1 956 . 1 1 86 86 ASP HA H 1 4.357 0.025 . 1 . . . A 86 ASP HA . 17806 1 957 . 1 1 86 86 ASP HB2 H 1 2.541 0.025 . 2 . . . A 86 ASP HB2 . 17806 1 958 . 1 1 86 86 ASP HB3 H 1 2.541 0.025 . 2 . . . A 86 ASP HB3 . 17806 1 959 . 1 1 86 86 ASP C C 13 174.448 0.16 . 1 . . . A 86 ASP C . 17806 1 960 . 1 1 86 86 ASP CA C 13 53.325 0.16 . 1 . . . A 86 ASP CA . 17806 1 961 . 1 1 86 86 ASP CB C 13 37.587 0.16 . 1 . . . A 86 ASP CB . 17806 1 962 . 1 1 86 86 ASP N N 15 130.428 0.12 . 1 . . . A 86 ASP N . 17806 1 963 . 1 1 87 87 GLY H H 1 8.612 0.025 . 1 . . . A 87 GLY H . 17806 1 964 . 1 1 87 87 GLY HA2 H 1 3.982 0.025 . 2 . . . A 87 GLY HA2 . 17806 1 965 . 1 1 87 87 GLY HA3 H 1 3.675 0.025 . 2 . . . A 87 GLY HA3 . 17806 1 966 . 1 1 87 87 GLY C C 13 170.414 0.16 . 1 . . . A 87 GLY C . 17806 1 967 . 1 1 87 87 GLY CA C 13 42.398 0.16 . 1 . . . A 87 GLY CA . 17806 1 968 . 1 1 87 87 GLY N N 15 108.493 0.12 . 1 . . . A 87 GLY N . 17806 1 969 . 1 1 88 88 VAL H H 1 6.862 0.025 . 1 . . . A 88 VAL H . 17806 1 970 . 1 1 88 88 VAL HA H 1 4.042 0.025 . 1 . . . A 88 VAL HA . 17806 1 971 . 1 1 88 88 VAL HB H 1 1.670 0.025 . 1 . . . A 88 VAL HB . 17806 1 972 . 1 1 88 88 VAL HG11 H 1 0.686 0.025 . . . . . A 88 VAL HG11 . 17806 1 973 . 1 1 88 88 VAL HG12 H 1 0.686 0.025 . . . . . A 88 VAL HG12 . 17806 1 974 . 1 1 88 88 VAL HG13 H 1 0.686 0.025 . . . . . A 88 VAL HG13 . 17806 1 975 . 1 1 88 88 VAL HG21 H 1 0.632 0.025 . . . . . A 88 VAL HG21 . 17806 1 976 . 1 1 88 88 VAL HG22 H 1 0.632 0.025 . . . . . A 88 VAL HG22 . 17806 1 977 . 1 1 88 88 VAL HG23 H 1 0.632 0.025 . . . . . A 88 VAL HG23 . 17806 1 978 . 1 1 88 88 VAL C C 13 171.984 0.16 . 1 . . . A 88 VAL C . 17806 1 979 . 1 1 88 88 VAL CA C 13 57.657 0.16 . 1 . . . A 88 VAL CA . 17806 1 980 . 1 1 88 88 VAL CB C 13 33.078 0.16 . 1 . . . A 88 VAL CB . 17806 1 981 . 1 1 88 88 VAL CG1 C 13 17.912 0.16 . 2 . . . A 88 VAL CG1 . 17806 1 982 . 1 1 88 88 VAL CG2 C 13 17.912 0.16 . 2 . . . A 88 VAL CG2 . 17806 1 983 . 1 1 88 88 VAL N N 15 118.928 0.12 . 1 . . . A 88 VAL N . 17806 1 984 . 1 1 89 89 VAL H H 1 8.960 0.025 . 1 . . . A 89 VAL H . 17806 1 985 . 1 1 89 89 VAL HA H 1 4.059 0.025 . 1 . . . A 89 VAL HA . 17806 1 986 . 1 1 89 89 VAL HB H 1 1.886 0.025 . 1 . . . A 89 VAL HB . 17806 1 987 . 1 1 89 89 VAL HG11 H 1 0.718 0.025 . . . . . A 89 VAL HG11 . 17806 1 988 . 1 1 89 89 VAL HG12 H 1 0.718 0.025 . . . . . A 89 VAL HG12 . 17806 1 989 . 1 1 89 89 VAL HG13 H 1 0.718 0.025 . . . . . A 89 VAL HG13 . 17806 1 990 . 1 1 89 89 VAL HG21 H 1 0.817 0.025 . . . . . A 89 VAL HG21 . 17806 1 991 . 1 1 89 89 VAL HG22 H 1 0.817 0.025 . . . . . A 89 VAL HG22 . 17806 1 992 . 1 1 89 89 VAL HG23 H 1 0.817 0.025 . . . . . A 89 VAL HG23 . 17806 1 993 . 1 1 89 89 VAL C C 13 172.113 0.16 . 1 . . . A 89 VAL C . 17806 1 994 . 1 1 89 89 VAL CA C 13 59.668 0.16 . 1 . . . A 89 VAL CA . 17806 1 995 . 1 1 89 89 VAL CB C 13 27.473 0.16 . 1 . . . A 89 VAL CB . 17806 1 996 . 1 1 89 89 VAL CG1 C 13 18.096 0.16 . 2 . . . A 89 VAL CG1 . 17806 1 997 . 1 1 89 89 VAL CG2 C 13 18.209 0.16 . 2 . . . A 89 VAL CG2 . 17806 1 998 . 1 1 89 89 VAL N N 15 131.792 0.12 . 1 . . . A 89 VAL N . 17806 1 999 . 1 1 90 90 ASN H H 1 9.072 0.025 . 1 . . . A 90 ASN H . 17806 1 1000 . 1 1 90 90 ASN HA H 1 4.579 0.025 . 1 . . . A 90 ASN HA . 17806 1 1001 . 1 1 90 90 ASN HB2 H 1 2.086 0.025 . 2 . . . A 90 ASN HB2 . 17806 1 1002 . 1 1 90 90 ASN HB3 H 1 2.952 0.025 . 2 . . . A 90 ASN HB3 . 17806 1 1003 . 1 1 90 90 ASN HD21 H 1 6.768 0.025 . 2 . . . A 90 ASN HD21 . 17806 1 1004 . 1 1 90 90 ASN HD22 H 1 7.231 0.025 . 2 . . . A 90 ASN HD22 . 17806 1 1005 . 1 1 90 90 ASN C C 13 172.764 0.16 . 1 . . . A 90 ASN C . 17806 1 1006 . 1 1 90 90 ASN CA C 13 51.890 0.16 . 1 . . . A 90 ASN CA . 17806 1 1007 . 1 1 90 90 ASN CB C 13 37.733 0.16 . 1 . . . A 90 ASN CB . 17806 1 1008 . 1 1 90 90 ASN N N 15 129.808 0.12 . 1 . . . A 90 ASN N . 17806 1 1009 . 1 1 90 90 ASN ND2 N 15 114.123 0.12 . 1 . . . A 90 ASN ND2 . 17806 1 1010 . 1 1 91 91 GLU H H 1 8.741 0.025 . 1 . . . A 91 GLU H . 17806 1 1011 . 1 1 91 91 GLU HA H 1 4.487 0.025 . 1 . . . A 91 GLU HA . 17806 1 1012 . 1 1 91 91 GLU HB2 H 1 2.256 0.025 . 2 . . . A 91 GLU HB2 . 17806 1 1013 . 1 1 91 91 GLU HB3 H 1 1.828 0.025 . 2 . . . A 91 GLU HB3 . 17806 1 1014 . 1 1 91 91 GLU HG2 H 1 2.295 0.025 . 2 . . . A 91 GLU HG2 . 17806 1 1015 . 1 1 91 91 GLU HG3 H 1 2.401 0.025 . 2 . . . A 91 GLU HG3 . 17806 1 1016 . 1 1 91 91 GLU CA C 13 52.414 0.16 . 1 . . . A 91 GLU CA . 17806 1 1017 . 1 1 91 91 GLU CB C 13 26.197 0.16 . 1 . . . A 91 GLU CB . 17806 1 1018 . 1 1 91 91 GLU CG C 13 33.821 0.16 . 1 . . . A 91 GLU CG . 17806 1 1019 . 1 1 91 91 GLU N N 15 123.165 0.12 . 1 . . . A 91 GLU N . 17806 1 1020 . 1 1 92 92 PRO HA H 1 4.817 0.025 . 1 . . . A 92 PRO HA . 17806 1 1021 . 1 1 92 92 PRO HB2 H 1 1.930 0.025 . 2 . . . A 92 PRO HB2 . 17806 1 1022 . 1 1 92 92 PRO HB3 H 1 1.930 0.025 . 2 . . . A 92 PRO HB3 . 17806 1 1023 . 1 1 92 92 PRO HG2 H 1 2.270 0.025 . 2 . . . A 92 PRO HG2 . 17806 1 1024 . 1 1 92 92 PRO HG3 H 1 1.832 0.025 . 2 . . . A 92 PRO HG3 . 17806 1 1025 . 1 1 92 92 PRO HD2 H 1 3.615 0.025 . 2 . . . A 92 PRO HD2 . 17806 1 1026 . 1 1 92 92 PRO HD3 H 1 3.740 0.025 . 2 . . . A 92 PRO HD3 . 17806 1 1027 . 1 1 92 92 PRO C C 13 175.050 0.16 . 1 . . . A 92 PRO C . 17806 1 1028 . 1 1 92 92 PRO CA C 13 59.879 0.16 . 1 . . . A 92 PRO CA . 17806 1 1029 . 1 1 92 92 PRO CB C 13 25.241 0.16 . 1 . . . A 92 PRO CB . 17806 1 1030 . 1 1 92 92 PRO CG C 13 26.273 0.16 . 1 . . . A 92 PRO CG . 17806 1 1031 . 1 1 92 92 PRO CD C 13 47.177 0.16 . 1 . . . A 92 PRO CD . 17806 1 1032 . 1 1 93 93 MET H H 1 8.643 0.025 . 1 . . . A 93 MET H . 17806 1 1033 . 1 1 93 93 MET HA H 1 5.175 0.025 . 1 . . . A 93 MET HA . 17806 1 1034 . 1 1 93 93 MET HB2 H 1 1.373 0.025 . 2 . . . A 93 MET HB2 . 17806 1 1035 . 1 1 93 93 MET HB3 H 1 1.931 0.025 . 2 . . . A 93 MET HB3 . 17806 1 1036 . 1 1 93 93 MET HG2 H 1 1.455 0.025 . 2 . . . A 93 MET HG2 . 17806 1 1037 . 1 1 93 93 MET HG3 H 1 0.894 0.025 . 2 . . . A 93 MET HG3 . 17806 1 1038 . 1 1 93 93 MET HE1 H 1 1.154 0.025 . . . . . A 93 MET HE1 . 17806 1 1039 . 1 1 93 93 MET HE2 H 1 1.154 0.025 . . . . . A 93 MET HE2 . 17806 1 1040 . 1 1 93 93 MET HE3 H 1 1.154 0.025 . . . . . A 93 MET HE3 . 17806 1 1041 . 1 1 93 93 MET C C 13 170.208 0.16 . 1 . . . A 93 MET C . 17806 1 1042 . 1 1 93 93 MET CA C 13 51.392 0.16 . 1 . . . A 93 MET CA . 17806 1 1043 . 1 1 93 93 MET CB C 13 33.677 0.16 . 1 . . . A 93 MET CB . 17806 1 1044 . 1 1 93 93 MET CG C 13 28.575 0.16 . 1 . . . A 93 MET CG . 17806 1 1045 . 1 1 93 93 MET CE C 13 14.135 0.16 . 1 . . . A 93 MET CE . 17806 1 1046 . 1 1 93 93 MET N N 15 116.804 0.12 . 1 . . . A 93 MET N . 17806 1 1047 . 1 1 94 94 GLN H H 1 8.198 0.025 . 1 . . . A 94 GLN H . 17806 1 1048 . 1 1 94 94 GLN HA H 1 5.272 0.025 . 1 . . . A 94 GLN HA . 17806 1 1049 . 1 1 94 94 GLN HB2 H 1 1.780 0.025 . 2 . . . A 94 GLN HB2 . 17806 1 1050 . 1 1 94 94 GLN HB3 H 1 1.860 0.025 . 2 . . . A 94 GLN HB3 . 17806 1 1051 . 1 1 94 94 GLN HG2 H 1 2.054 0.025 . 2 . . . A 94 GLN HG2 . 17806 1 1052 . 1 1 94 94 GLN HG3 H 1 2.054 0.025 . 2 . . . A 94 GLN HG3 . 17806 1 1053 . 1 1 94 94 GLN HE22 H 1 6.564 0.025 . 2 . . . A 94 GLN HE22 . 17806 1 1054 . 1 1 94 94 GLN C C 13 171.788 0.16 . 1 . . . A 94 GLN C . 17806 1 1055 . 1 1 94 94 GLN CA C 13 51.204 0.16 . 1 . . . A 94 GLN CA . 17806 1 1056 . 1 1 94 94 GLN CB C 13 29.883 0.16 . 1 . . . A 94 GLN CB . 17806 1 1057 . 1 1 94 94 GLN CG C 13 32.038 0.16 . 1 . . . A 94 GLN CG . 17806 1 1058 . 1 1 94 94 GLN N N 15 119.277 0.12 . 1 . . . A 94 GLN N . 17806 1 1059 . 1 1 94 94 GLN NE2 N 15 109.311 0.12 . 1 . . . A 94 GLN NE2 . 17806 1 1060 . 1 1 95 95 TRP H H 1 8.952 0.025 . 1 . . . A 95 TRP H . 17806 1 1061 . 1 1 95 95 TRP HA H 1 5.608 0.025 . 1 . . . A 95 TRP HA . 17806 1 1062 . 1 1 95 95 TRP HB2 H 1 3.103 0.025 . 2 . . . A 95 TRP HB2 . 17806 1 1063 . 1 1 95 95 TRP HB3 H 1 2.748 0.025 . 2 . . . A 95 TRP HB3 . 17806 1 1064 . 1 1 95 95 TRP HD1 H 1 7.018 0.025 . 1 . . . A 95 TRP HD1 . 17806 1 1065 . 1 1 95 95 TRP HE1 H 1 11.274 0.025 . 1 . . . A 95 TRP HE1 . 17806 1 1066 . 1 1 95 95 TRP HE3 H 1 7.152 0.025 . 1 . . . A 95 TRP HE3 . 17806 1 1067 . 1 1 95 95 TRP HZ2 H 1 6.787 0.025 . 1 . . . A 95 TRP HZ2 . 17806 1 1068 . 1 1 95 95 TRP HZ3 H 1 6.623 0.025 . 1 . . . A 95 TRP HZ3 . 17806 1 1069 . 1 1 95 95 TRP HH2 H 1 6.707 0.025 . 1 . . . A 95 TRP HH2 . 17806 1 1070 . 1 1 95 95 TRP C C 13 173.335 0.16 . 1 . . . A 95 TRP C . 17806 1 1071 . 1 1 95 95 TRP CA C 13 50.136 0.16 . 1 . . . A 95 TRP CA . 17806 1 1072 . 1 1 95 95 TRP CB C 13 32.214 0.16 . 1 . . . A 95 TRP CB . 17806 1 1073 . 1 1 95 95 TRP CD1 C 13 118.210 0.16 . 1 . . . A 95 TRP CD1 . 17806 1 1074 . 1 1 95 95 TRP CE3 C 13 114.478 0.16 . 1 . . . A 95 TRP CE3 . 17806 1 1075 . 1 1 95 95 TRP CZ2 C 13 110.23 0.16 . 1 . . . A 95 TRP CZ2 . 17806 1 1076 . 1 1 95 95 TRP CZ3 C 13 122.808 0.16 . 1 . . . A 95 TRP CZ3 . 17806 1 1077 . 1 1 95 95 TRP CH2 C 13 125.271 0.16 . 1 . . . A 95 TRP CH2 . 17806 1 1078 . 1 1 95 95 TRP N N 15 123.846 0.12 . 1 . . . A 95 TRP N . 17806 1 1079 . 1 1 95 95 TRP NE1 N 15 129.873 0.12 . 1 . . . A 95 TRP NE1 . 17806 1 1080 . 1 1 96 96 VAL H H 1 8.795 0.025 . 1 . . . A 96 VAL H . 17806 1 1081 . 1 1 96 96 VAL HA H 1 4.875 0.025 . 1 . . . A 96 VAL HA . 17806 1 1082 . 1 1 96 96 VAL HB H 1 1.858 0.025 . 1 . . . A 96 VAL HB . 17806 1 1083 . 1 1 96 96 VAL HG11 H 1 0.861 0.025 . . . . . A 96 VAL HG11 . 17806 1 1084 . 1 1 96 96 VAL HG12 H 1 0.861 0.025 . . . . . A 96 VAL HG12 . 17806 1 1085 . 1 1 96 96 VAL HG13 H 1 0.861 0.025 . . . . . A 96 VAL HG13 . 17806 1 1086 . 1 1 96 96 VAL HG21 H 1 0.861 0.025 . . . . . A 96 VAL HG21 . 17806 1 1087 . 1 1 96 96 VAL HG22 H 1 0.861 0.025 . . . . . A 96 VAL HG22 . 17806 1 1088 . 1 1 96 96 VAL HG23 H 1 0.861 0.025 . . . . . A 96 VAL HG23 . 17806 1 1089 . 1 1 96 96 VAL C C 13 173.932 0.16 . 1 . . . A 96 VAL C . 17806 1 1090 . 1 1 96 96 VAL CA C 13 59.371 0.16 . 1 . . . A 96 VAL CA . 17806 1 1091 . 1 1 96 96 VAL CB C 13 30.737 0.16 . 1 . . . A 96 VAL CB . 17806 1 1092 . 1 1 96 96 VAL CG1 C 13 18.218 0.16 . 2 . . . A 96 VAL CG1 . 17806 1 1093 . 1 1 96 96 VAL CG2 C 13 18.218 0.16 . 2 . . . A 96 VAL CG2 . 17806 1 1094 . 1 1 96 96 VAL N N 15 120.922 0.12 . 1 . . . A 96 VAL N . 17806 1 1095 . 1 1 97 97 VAL H H 1 9.483 0.025 . 1 . . . A 97 VAL H . 17806 1 1096 . 1 1 97 97 VAL HA H 1 4.934 0.025 . 1 . . . A 97 VAL HA . 17806 1 1097 . 1 1 97 97 VAL HB H 1 1.829 0.025 . 1 . . . A 97 VAL HB . 17806 1 1098 . 1 1 97 97 VAL HG11 H 1 0.663 0.025 . . . . . A 97 VAL HG11 . 17806 1 1099 . 1 1 97 97 VAL HG12 H 1 0.663 0.025 . . . . . A 97 VAL HG12 . 17806 1 1100 . 1 1 97 97 VAL HG13 H 1 0.663 0.025 . . . . . A 97 VAL HG13 . 17806 1 1101 . 1 1 97 97 VAL HG21 H 1 0.663 0.025 . . . . . A 97 VAL HG21 . 17806 1 1102 . 1 1 97 97 VAL HG22 H 1 0.663 0.025 . . . . . A 97 VAL HG22 . 17806 1 1103 . 1 1 97 97 VAL HG23 H 1 0.663 0.025 . . . . . A 97 VAL HG23 . 17806 1 1104 . 1 1 97 97 VAL C C 13 171.487 0.16 . 1 . . . A 97 VAL C . 17806 1 1105 . 1 1 97 97 VAL CA C 13 58.126 0.16 . 1 . . . A 97 VAL CA . 17806 1 1106 . 1 1 97 97 VAL CB C 13 30.899 0.16 . 1 . . . A 97 VAL CB . 17806 1 1107 . 1 1 97 97 VAL CG1 C 13 18.064 0.16 . 2 . . . A 97 VAL CG1 . 17806 1 1108 . 1 1 97 97 VAL CG2 C 13 18.064 0.16 . 2 . . . A 97 VAL CG2 . 17806 1 1109 . 1 1 97 97 VAL N N 15 132.918 0.12 . 1 . . . A 97 VAL N . 17806 1 1110 . 1 1 98 98 THR H H 1 8.862 0.025 . 1 . . . A 98 THR H . 17806 1 1111 . 1 1 98 98 THR HA H 1 4.995 0.025 . 1 . . . A 98 THR HA . 17806 1 1112 . 1 1 98 98 THR HB H 1 3.926 0.025 . 1 . . . A 98 THR HB . 17806 1 1113 . 1 1 98 98 THR HG21 H 1 0.725 0.025 . . . . . A 98 THR HG21 . 17806 1 1114 . 1 1 98 98 THR HG22 H 1 0.725 0.025 . . . . . A 98 THR HG22 . 17806 1 1115 . 1 1 98 98 THR HG23 H 1 0.725 0.025 . . . . . A 98 THR HG23 . 17806 1 1116 . 1 1 98 98 THR C C 13 170.006 0.16 . 1 . . . A 98 THR C . 17806 1 1117 . 1 1 98 98 THR CA C 13 58.471 0.16 . 1 . . . A 98 THR CA . 17806 1 1118 . 1 1 98 98 THR CB C 13 66.836 0.16 . 1 . . . A 98 THR CB . 17806 1 1119 . 1 1 98 98 THR CG2 C 13 18.263 0.16 . 1 . . . A 98 THR CG2 . 17806 1 1120 . 1 1 98 98 THR N N 15 123.728 0.12 . 1 . . . A 98 THR N . 17806 1 1121 . 1 1 99 99 VAL H H 1 8.576 0.025 . 1 . . . A 99 VAL H . 17806 1 1122 . 1 1 99 99 VAL HA H 1 4.884 0.025 . 1 . . . A 99 VAL HA . 17806 1 1123 . 1 1 99 99 VAL HB H 1 1.642 0.025 . 1 . . . A 99 VAL HB . 17806 1 1124 . 1 1 99 99 VAL HG11 H 1 0.594 0.025 . . . . . A 99 VAL HG11 . 17806 1 1125 . 1 1 99 99 VAL HG12 H 1 0.594 0.025 . . . . . A 99 VAL HG12 . 17806 1 1126 . 1 1 99 99 VAL HG13 H 1 0.594 0.025 . . . . . A 99 VAL HG13 . 17806 1 1127 . 1 1 99 99 VAL HG21 H 1 0.925 0.025 . . . . . A 99 VAL HG21 . 17806 1 1128 . 1 1 99 99 VAL HG22 H 1 0.925 0.025 . . . . . A 99 VAL HG22 . 17806 1 1129 . 1 1 99 99 VAL HG23 H 1 0.925 0.025 . . . . . A 99 VAL HG23 . 17806 1 1130 . 1 1 99 99 VAL C C 13 171.414 0.16 . 1 . . . A 99 VAL C . 17806 1 1131 . 1 1 99 99 VAL CA C 13 58.113 0.16 . 1 . . . A 99 VAL CA . 17806 1 1132 . 1 1 99 99 VAL CB C 13 31.705 0.16 . 1 . . . A 99 VAL CB . 17806 1 1133 . 1 1 99 99 VAL CG1 C 13 18.316 0.16 . 2 . . . A 99 VAL CG1 . 17806 1 1134 . 1 1 99 99 VAL CG2 C 13 18.668 0.16 . 2 . . . A 99 VAL CG2 . 17806 1 1135 . 1 1 99 99 VAL N N 15 124.895 0.12 . 1 . . . A 99 VAL N . 17806 1 1136 . 1 1 100 100 TYR H H 1 9.312 0.025 . 1 . . . A 100 TYR H . 17806 1 1137 . 1 1 100 100 TYR HA H 1 4.952 0.025 . 1 . . . A 100 TYR HA . 17806 1 1138 . 1 1 100 100 TYR HB2 H 1 2.162 0.025 . 2 . . . A 100 TYR HB2 . 17806 1 1139 . 1 1 100 100 TYR HB3 H 1 2.616 0.025 . 2 . . . A 100 TYR HB3 . 17806 1 1140 . 1 1 100 100 TYR HD1 H 1 6.570 0.025 . 3 . . . A 100 TYR HD1 . 17806 1 1141 . 1 1 100 100 TYR HD2 H 1 6.570 0.025 . 3 . . . A 100 TYR HD2 . 17806 1 1142 . 1 1 100 100 TYR HE1 H 1 6.555 0.025 . 3 . . . A 100 TYR HE1 . 17806 1 1143 . 1 1 100 100 TYR HE2 H 1 6.555 0.025 . 3 . . . A 100 TYR HE2 . 17806 1 1144 . 1 1 100 100 TYR C C 13 171.672 0.16 . 1 . . . A 100 TYR C . 17806 1 1145 . 1 1 100 100 TYR CA C 13 52.541 0.16 . 1 . . . A 100 TYR CA . 17806 1 1146 . 1 1 100 100 TYR CB C 13 38.817 0.16 . 1 . . . A 100 TYR CB . 17806 1 1147 . 1 1 100 100 TYR CD1 C 13 128.069 0.16 . 3 . . . A 100 TYR CD1 . 17806 1 1148 . 1 1 100 100 TYR CD2 C 13 128.109 0.16 . 3 . . . A 100 TYR CD2 . 17806 1 1149 . 1 1 100 100 TYR CE1 C 13 113.131 0.16 . 3 . . . A 100 TYR CE1 . 17806 1 1150 . 1 1 100 100 TYR CE2 C 13 113.086 0.16 . 3 . . . A 100 TYR CE2 . 17806 1 1151 . 1 1 100 100 TYR N N 15 126.192 0.12 . 1 . . . A 100 TYR N . 17806 1 1152 . 1 1 101 101 LYS H H 1 8.883 0.025 . 1 . . . A 101 LYS H . 17806 1 1153 . 1 1 101 101 LYS HA H 1 4.537 0.025 . 1 . . . A 101 LYS HA . 17806 1 1154 . 1 1 101 101 LYS HB2 H 1 1.055 0.025 . 2 . . . A 101 LYS HB2 . 17806 1 1155 . 1 1 101 101 LYS HB3 H 1 1.454 0.025 . 2 . . . A 101 LYS HB3 . 17806 1 1156 . 1 1 101 101 LYS HG3 H 1 0.468 0.025 . 2 . . . A 101 LYS HG3 . 17806 1 1157 . 1 1 101 101 LYS HD2 H 1 0.453 0.025 . 2 . . . A 101 LYS HD2 . 17806 1 1158 . 1 1 101 101 LYS HD3 H 1 0.223 0.025 . 2 . . . A 101 LYS HD3 . 17806 1 1159 . 1 1 101 101 LYS HE2 H 1 2.533 0.025 . 2 . . . A 101 LYS HE2 . 17806 1 1160 . 1 1 101 101 LYS HE3 H 1 2.582 0.025 . 2 . . . A 101 LYS HE3 . 17806 1 1161 . 1 1 101 101 LYS C C 13 173.795 0.16 . 1 . . . A 101 LYS C . 17806 1 1162 . 1 1 101 101 LYS CA C 13 51.041 0.16 . 1 . . . A 101 LYS CA . 17806 1 1163 . 1 1 101 101 LYS CB C 13 33.779 0.16 . 1 . . . A 101 LYS CB . 17806 1 1164 . 1 1 101 101 LYS CG C 13 20.970 0.16 . 1 . . . A 101 LYS CG . 17806 1 1165 . 1 1 101 101 LYS CD C 13 22.539 0.16 . 1 . . . A 101 LYS CD . 17806 1 1166 . 1 1 101 101 LYS CE C 13 39.348 0.16 . 1 . . . A 101 LYS CE . 17806 1 1167 . 1 1 101 101 LYS N N 15 122.676 0.12 . 1 . . . A 101 LYS N . 17806 1 1168 . 1 1 102 102 ASN H H 1 9.602 0.025 . 1 . . . A 102 ASN H . 17806 1 1169 . 1 1 102 102 ASN HA H 1 4.152 0.025 . 1 . . . A 102 ASN HA . 17806 1 1170 . 1 1 102 102 ASN HB2 H 1 2.873 0.025 . 2 . . . A 102 ASN HB2 . 17806 1 1171 . 1 1 102 102 ASN HB3 H 1 2.666 0.025 . 2 . . . A 102 ASN HB3 . 17806 1 1172 . 1 1 102 102 ASN HD21 H 1 7.199 0.025 . 2 . . . A 102 ASN HD21 . 17806 1 1173 . 1 1 102 102 ASN HD22 H 1 7.694 0.025 . 2 . . . A 102 ASN HD22 . 17806 1 1174 . 1 1 102 102 ASN C C 13 172.582 0.16 . 1 . . . A 102 ASN C . 17806 1 1175 . 1 1 102 102 ASN CA C 13 50.834 0.16 . 1 . . . A 102 ASN CA . 17806 1 1176 . 1 1 102 102 ASN CB C 13 34.326 0.16 . 1 . . . A 102 ASN CB . 17806 1 1177 . 1 1 102 102 ASN N N 15 128.486 0.12 . 1 . . . A 102 ASN N . 17806 1 1178 . 1 1 102 102 ASN ND2 N 15 115.042 0.12 . 1 . . . A 102 ASN ND2 . 17806 1 1179 . 1 1 103 103 GLY H H 1 8.852 0.025 . 1 . . . A 103 GLY H . 17806 1 1180 . 1 1 103 103 GLY HA2 H 1 3.406 0.025 . 2 . . . A 103 GLY HA2 . 17806 1 1181 . 1 1 103 103 GLY HA3 H 1 3.978 0.025 . 2 . . . A 103 GLY HA3 . 17806 1 1182 . 1 1 103 103 GLY CA C 13 42.429 0.16 . 1 . . . A 103 GLY CA . 17806 1 1183 . 1 1 103 103 GLY N N 15 102.973 0.12 . 1 . . . A 103 GLY N . 17806 1 1184 . 1 1 104 104 LYS H H 1 7.613 0.025 . 1 . . . A 104 LYS H . 17806 1 1185 . 1 1 104 104 LYS HA H 1 4.604 0.025 . 1 . . . A 104 LYS HA . 17806 1 1186 . 1 1 104 104 LYS HB2 H 1 1.634 0.025 . 2 . . . A 104 LYS HB2 . 17806 1 1187 . 1 1 104 104 LYS HB3 H 1 1.723 0.025 . 2 . . . A 104 LYS HB3 . 17806 1 1188 . 1 1 104 104 LYS HG2 H 1 1.339 0.025 . 2 . . . A 104 LYS HG2 . 17806 1 1189 . 1 1 104 104 LYS HG3 H 1 1.259 0.025 . 2 . . . A 104 LYS HG3 . 17806 1 1190 . 1 1 104 104 LYS HD2 H 1 1.589 0.025 . 2 . . . A 104 LYS HD2 . 17806 1 1191 . 1 1 104 104 LYS HD3 H 1 1.589 0.025 . 2 . . . A 104 LYS HD3 . 17806 1 1192 . 1 1 104 104 LYS HE2 H 1 2.927 0.025 . 2 . . . A 104 LYS HE2 . 17806 1 1193 . 1 1 104 104 LYS HE3 H 1 2.927 0.025 . 2 . . . A 104 LYS HE3 . 17806 1 1194 . 1 1 104 104 LYS C C 13 172.677 0.16 . 1 . . . A 104 LYS C . 17806 1 1195 . 1 1 104 104 LYS CA C 13 51.471 0.16 . 1 . . . A 104 LYS CA . 17806 1 1196 . 1 1 104 104 LYS CB C 13 31.832 0.16 . 1 . . . A 104 LYS CB . 17806 1 1197 . 1 1 104 104 LYS CG C 13 21.857 0.16 . 1 . . . A 104 LYS CG . 17806 1 1198 . 1 1 104 104 LYS CD C 13 26.220 0.16 . 1 . . . A 104 LYS CD . 17806 1 1199 . 1 1 104 104 LYS CE C 13 39.497 0.16 . 1 . . . A 104 LYS CE . 17806 1 1200 . 1 1 104 104 LYS N N 15 120.846 0.12 . 1 . . . A 104 LYS N . 17806 1 1201 . 1 1 105 105 GLU H H 1 8.964 0.025 . 1 . . . A 105 GLU H . 17806 1 1202 . 1 1 105 105 GLU HA H 1 3.555 0.025 . 1 . . . A 105 GLU HA . 17806 1 1203 . 1 1 105 105 GLU HB2 H 1 1.651 0.025 . 2 . . . A 105 GLU HB2 . 17806 1 1204 . 1 1 105 105 GLU HB3 H 1 1.757 0.025 . 2 . . . A 105 GLU HB3 . 17806 1 1205 . 1 1 105 105 GLU HG2 H 1 1.526 0.025 . 2 . . . A 105 GLU HG2 . 17806 1 1206 . 1 1 105 105 GLU HG3 H 1 1.526 0.025 . 2 . . . A 105 GLU HG3 . 17806 1 1207 . 1 1 105 105 GLU C C 13 174.048 0.16 . 1 . . . A 105 GLU C . 17806 1 1208 . 1 1 105 105 GLU CA C 13 55.056 0.16 . 1 . . . A 105 GLU CA . 17806 1 1209 . 1 1 105 105 GLU CB C 13 27.368 0.16 . 1 . . . A 105 GLU CB . 17806 1 1210 . 1 1 105 105 GLU CG C 13 33.039 0.16 . 1 . . . A 105 GLU CG . 17806 1 1211 . 1 1 105 105 GLU N N 15 127.209 0.12 . 1 . . . A 105 GLU N . 17806 1 1212 . 1 1 106 106 ILE H H 1 8.931 0.025 . 1 . . . A 106 ILE H . 17806 1 1213 . 1 1 106 106 ILE HA H 1 4.592 0.025 . 1 . . . A 106 ILE HA . 17806 1 1214 . 1 1 106 106 ILE HB H 1 1.868 0.025 . 1 . . . A 106 ILE HB . 17806 1 1215 . 1 1 106 106 ILE HG12 H 1 0.632 0.025 . 2 . . . A 106 ILE HG12 . 17806 1 1216 . 1 1 106 106 ILE HG13 H 1 1.016 0.025 . 2 . . . A 106 ILE HG13 . 17806 1 1217 . 1 1 106 106 ILE HG21 H 1 0.796 0.025 . . . . . A 106 ILE HG21 . 17806 1 1218 . 1 1 106 106 ILE HG22 H 1 0.796 0.025 . . . . . A 106 ILE HG22 . 17806 1 1219 . 1 1 106 106 ILE HG23 H 1 0.796 0.025 . . . . . A 106 ILE HG23 . 17806 1 1220 . 1 1 106 106 ILE HD11 H 1 0.475 0.025 . . . . . A 106 ILE HD11 . 17806 1 1221 . 1 1 106 106 ILE HD12 H 1 0.475 0.025 . . . . . A 106 ILE HD12 . 17806 1 1222 . 1 1 106 106 ILE HD13 H 1 0.475 0.025 . . . . . A 106 ILE HD13 . 17806 1 1223 . 1 1 106 106 ILE C C 13 172.576 0.16 . 1 . . . A 106 ILE C . 17806 1 1224 . 1 1 106 106 ILE CA C 13 57.994 0.16 . 1 . . . A 106 ILE CA . 17806 1 1225 . 1 1 106 106 ILE CB C 13 38.120 0.16 . 1 . . . A 106 ILE CB . 17806 1 1226 . 1 1 106 106 ILE CG1 C 13 23.548 0.16 . 1 . . . A 106 ILE CG1 . 17806 1 1227 . 1 1 106 106 ILE CG2 C 13 15.938 0.16 . 1 . . . A 106 ILE CG2 . 17806 1 1228 . 1 1 106 106 ILE CD1 C 13 12.556 0.16 . 1 . . . A 106 ILE CD1 . 17806 1 1229 . 1 1 106 106 ILE N N 15 121.621 0.12 . 1 . . . A 106 ILE N . 17806 1 1230 . 1 1 107 107 GLU H H 1 7.439 0.025 . 1 . . . A 107 GLU H . 17806 1 1231 . 1 1 107 107 GLU HA H 1 4.373 0.025 . 1 . . . A 107 GLU HA . 17806 1 1232 . 1 1 107 107 GLU HB2 H 1 2.221 0.025 . 2 . . . A 107 GLU HB2 . 17806 1 1233 . 1 1 107 107 GLU HB3 H 1 1.718 0.025 . 2 . . . A 107 GLU HB3 . 17806 1 1234 . 1 1 107 107 GLU HG2 H 1 2.209 0.025 . 2 . . . A 107 GLU HG2 . 17806 1 1235 . 1 1 107 107 GLU HG3 H 1 2.155 0.025 . 2 . . . A 107 GLU HG3 . 17806 1 1236 . 1 1 107 107 GLU C C 13 170.185 0.16 . 1 . . . A 107 GLU C . 17806 1 1237 . 1 1 107 107 GLU CA C 13 54.293 0.16 . 1 . . . A 107 GLU CA . 17806 1 1238 . 1 1 107 107 GLU CB C 13 30.791 0.16 . 1 . . . A 107 GLU CB . 17806 1 1239 . 1 1 107 107 GLU CG C 13 33.723 0.16 . 1 . . . A 107 GLU CG . 17806 1 1240 . 1 1 107 107 GLU N N 15 123.222 0.12 . 1 . . . A 107 GLU N . 17806 1 1241 . 1 1 108 108 LYS H H 1 8.502 0.025 . 1 . . . A 108 LYS H . 17806 1 1242 . 1 1 108 108 LYS HA H 1 5.147 0.025 . 1 . . . A 108 LYS HA . 17806 1 1243 . 1 1 108 108 LYS HB2 H 1 1.520 0.025 . 2 . . . A 108 LYS HB2 . 17806 1 1244 . 1 1 108 108 LYS HB3 H 1 1.584 0.025 . 2 . . . A 108 LYS HB3 . 17806 1 1245 . 1 1 108 108 LYS HG2 H 1 1.279 0.025 . 2 . . . A 108 LYS HG2 . 17806 1 1246 . 1 1 108 108 LYS HG3 H 1 1.279 0.025 . 2 . . . A 108 LYS HG3 . 17806 1 1247 . 1 1 108 108 LYS C C 13 172.501 0.16 . 1 . . . A 108 LYS C . 17806 1 1248 . 1 1 108 108 LYS CA C 13 53.174 0.16 . 1 . . . A 108 LYS CA . 17806 1 1249 . 1 1 108 108 LYS CB C 13 31.824 0.16 . 1 . . . A 108 LYS CB . 17806 1 1250 . 1 1 108 108 LYS N N 15 126.670 0.12 . 1 . . . A 108 LYS N . 17806 1 1251 . 1 1 109 109 LYS H H 1 9.371 0.025 . 1 . . . A 109 LYS H . 17806 1 1252 . 1 1 109 109 LYS HA H 1 4.733 0.025 . 1 . . . A 109 LYS HA . 17806 1 1253 . 1 1 109 109 LYS HB2 H 1 1.574 0.025 . 2 . . . A 109 LYS HB2 . 17806 1 1254 . 1 1 109 109 LYS HB3 H 1 1.685 0.025 . 2 . . . A 109 LYS HB3 . 17806 1 1255 . 1 1 109 109 LYS HG2 H 1 1.334 0.025 . 2 . . . A 109 LYS HG2 . 17806 1 1256 . 1 1 109 109 LYS HG3 H 1 1.334 0.025 . 2 . . . A 109 LYS HG3 . 17806 1 1257 . 1 1 109 109 LYS HD2 H 1 1.694 0.025 . 2 . . . A 109 LYS HD2 . 17806 1 1258 . 1 1 109 109 LYS HD3 H 1 1.694 0.025 . 2 . . . A 109 LYS HD3 . 17806 1 1259 . 1 1 109 109 LYS HE2 H 1 2.933 0.025 . 2 . . . A 109 LYS HE2 . 17806 1 1260 . 1 1 109 109 LYS HE3 H 1 2.991 0.025 . 2 . . . A 109 LYS HE3 . 17806 1 1261 . 1 1 109 109 LYS C C 13 171.634 0.16 . 1 . . . A 109 LYS C . 17806 1 1262 . 1 1 109 109 LYS CA C 13 51.249 0.16 . 1 . . . A 109 LYS CA . 17806 1 1263 . 1 1 109 109 LYS CB C 13 32.956 0.16 . 1 . . . A 109 LYS CB . 17806 1 1264 . 1 1 109 109 LYS CG C 13 21.561 0.16 . 1 . . . A 109 LYS CG . 17806 1 1265 . 1 1 109 109 LYS CD C 13 26.045 0.16 . 1 . . . A 109 LYS CD . 17806 1 1266 . 1 1 109 109 LYS CE C 13 39.120 0.16 . 1 . . . A 109 LYS CE . 17806 1 1267 . 1 1 109 109 LYS N N 15 128.071 0.12 . 1 . . . A 109 LYS N . 17806 1 1268 . 1 1 110 110 SER H H 1 8.598 0.025 . 1 . . . A 110 SER H . 17806 1 1269 . 1 1 110 110 SER HA H 1 5.434 0.025 . 1 . . . A 110 SER HA . 17806 1 1270 . 1 1 110 110 SER HB2 H 1 3.645 0.025 . 2 . . . A 110 SER HB2 . 17806 1 1271 . 1 1 110 110 SER HB3 H 1 3.574 0.025 . 2 . . . A 110 SER HB3 . 17806 1 1272 . 1 1 110 110 SER C C 13 171.040 0.16 . 1 . . . A 110 SER C . 17806 1 1273 . 1 1 110 110 SER CA C 13 53.750 0.16 . 1 . . . A 110 SER CA . 17806 1 1274 . 1 1 110 110 SER CB C 13 60.827 0.16 . 1 . . . A 110 SER CB . 17806 1 1275 . 1 1 110 110 SER N N 15 120.162 0.12 . 1 . . . A 110 SER N . 17806 1 1276 . 1 1 111 111 LEU H H 1 9.365 0.025 . 1 . . . A 111 LEU H . 17806 1 1277 . 1 1 111 111 LEU HA H 1 4.494 0.025 . 1 . . . A 111 LEU HA . 17806 1 1278 . 1 1 111 111 LEU HB2 H 1 1.411 0.025 . 2 . . . A 111 LEU HB2 . 17806 1 1279 . 1 1 111 111 LEU HB3 H 1 0.934 0.025 . 2 . . . A 111 LEU HB3 . 17806 1 1280 . 1 1 111 111 LEU HG H 1 1.465 0.025 . 1 . . . A 111 LEU HG . 17806 1 1281 . 1 1 111 111 LEU HD11 H 1 0.943 0.025 . . . . . A 111 LEU HD11 . 17806 1 1282 . 1 1 111 111 LEU HD12 H 1 0.943 0.025 . . . . . A 111 LEU HD12 . 17806 1 1283 . 1 1 111 111 LEU HD13 H 1 0.943 0.025 . . . . . A 111 LEU HD13 . 17806 1 1284 . 1 1 111 111 LEU HD21 H 1 1.044 0.025 . . . . . A 111 LEU HD21 . 17806 1 1285 . 1 1 111 111 LEU HD22 H 1 1.044 0.025 . . . . . A 111 LEU HD22 . 17806 1 1286 . 1 1 111 111 LEU HD23 H 1 1.044 0.025 . . . . . A 111 LEU HD23 . 17806 1 1287 . 1 1 111 111 LEU C C 13 171.408 0.16 . 1 . . . A 111 LEU C . 17806 1 1288 . 1 1 111 111 LEU CA C 13 51.401 0.16 . 1 . . . A 111 LEU CA . 17806 1 1289 . 1 1 111 111 LEU CB C 13 43.759 0.16 . 1 . . . A 111 LEU CB . 17806 1 1290 . 1 1 111 111 LEU CG C 13 24.937 0.16 . 1 . . . A 111 LEU CG . 17806 1 1291 . 1 1 111 111 LEU CD1 C 13 22.245 0.16 . 2 . . . A 111 LEU CD1 . 17806 1 1292 . 1 1 111 111 LEU CD2 C 13 24.677 0.16 . 2 . . . A 111 LEU CD2 . 17806 1 1293 . 1 1 111 111 LEU N N 15 127.535 0.12 . 1 . . . A 111 LEU N . 17806 1 1294 . 1 1 112 112 VAL H H 1 7.803 0.025 . 1 . . . A 112 VAL H . 17806 1 1295 . 1 1 112 112 VAL HA H 1 4.354 0.025 . 1 . . . A 112 VAL HA . 17806 1 1296 . 1 1 112 112 VAL HB H 1 1.587 0.025 . 1 . . . A 112 VAL HB . 17806 1 1297 . 1 1 112 112 VAL HG11 H 1 0.688 0.025 . . . . . A 112 VAL HG11 . 17806 1 1298 . 1 1 112 112 VAL HG12 H 1 0.688 0.025 . . . . . A 112 VAL HG12 . 17806 1 1299 . 1 1 112 112 VAL HG13 H 1 0.688 0.025 . . . . . A 112 VAL HG13 . 17806 1 1300 . 1 1 112 112 VAL HG21 H 1 0.688 0.025 . . . . . A 112 VAL HG21 . 17806 1 1301 . 1 1 112 112 VAL HG22 H 1 0.688 0.025 . . . . . A 112 VAL HG22 . 17806 1 1302 . 1 1 112 112 VAL HG23 H 1 0.688 0.025 . . . . . A 112 VAL HG23 . 17806 1 1303 . 1 1 112 112 VAL C C 13 171.704 0.16 . 1 . . . A 112 VAL C . 17806 1 1304 . 1 1 112 112 VAL CA C 13 57.878 0.16 . 1 . . . A 112 VAL CA . 17806 1 1305 . 1 1 112 112 VAL CB C 13 31.402 0.16 . 1 . . . A 112 VAL CB . 17806 1 1306 . 1 1 112 112 VAL CG1 C 13 18.279 0.16 . 2 . . . A 112 VAL CG1 . 17806 1 1307 . 1 1 112 112 VAL CG2 C 13 18.279 0.16 . 2 . . . A 112 VAL CG2 . 17806 1 1308 . 1 1 112 112 VAL N N 15 121.571 0.12 . 1 . . . A 112 VAL N . 17806 1 1309 . 1 1 113 113 PHE H H 1 8.342 0.025 . 1 . . . A 113 PHE H . 17806 1 1310 . 1 1 113 113 PHE HA H 1 4.796 0.025 . 1 . . . A 113 PHE HA . 17806 1 1311 . 1 1 113 113 PHE HB2 H 1 2.258 0.025 . 2 . . . A 113 PHE HB2 . 17806 1 1312 . 1 1 113 113 PHE HB3 H 1 1.658 0.025 . 2 . . . A 113 PHE HB3 . 17806 1 1313 . 1 1 113 113 PHE HD1 H 1 6.487 0.025 . 3 . . . A 113 PHE HD1 . 17806 1 1314 . 1 1 113 113 PHE HD2 H 1 6.487 0.025 . 3 . . . A 113 PHE HD2 . 17806 1 1315 . 1 1 113 113 PHE HE1 H 1 6.563 0.025 . 3 . . . A 113 PHE HE1 . 17806 1 1316 . 1 1 113 113 PHE HE2 H 1 6.563 0.025 . 3 . . . A 113 PHE HE2 . 17806 1 1317 . 1 1 113 113 PHE C C 13 170.540 0.16 . 1 . . . A 113 PHE C . 17806 1 1318 . 1 1 113 113 PHE CA C 13 52.358 0.16 . 1 . . . A 113 PHE CA . 17806 1 1319 . 1 1 113 113 PHE CB C 13 38.108 0.16 . 1 . . . A 113 PHE CB . 17806 1 1320 . 1 1 113 113 PHE CD2 C 13 127.087 0.16 . 3 . . . A 113 PHE CD2 . 17806 1 1321 . 1 1 113 113 PHE CE2 C 13 125.722 0.16 . 3 . . . A 113 PHE CE2 . 17806 1 1322 . 1 1 113 113 PHE N N 15 125.540 0.12 . 1 . . . A 113 PHE N . 17806 1 1323 . 1 1 114 114 ARG H H 1 8.595 0.025 . 1 . . . A 114 ARG H . 17806 1 1324 . 1 1 114 114 ARG HA H 1 4.641 0.025 . 1 . . . A 114 ARG HA . 17806 1 1325 . 1 1 114 114 ARG HB2 H 1 1.904 0.025 . 2 . . . A 114 ARG HB2 . 17806 1 1326 . 1 1 114 114 ARG HB3 H 1 1.594 0.025 . 2 . . . A 114 ARG HB3 . 17806 1 1327 . 1 1 114 114 ARG HG2 H 1 1.486 0.025 . 2 . . . A 114 ARG HG2 . 17806 1 1328 . 1 1 114 114 ARG HG3 H 1 1.380 0.025 . 2 . . . A 114 ARG HG3 . 17806 1 1329 . 1 1 114 114 ARG HD2 H 1 3.118 0.025 . 2 . . . A 114 ARG HD2 . 17806 1 1330 . 1 1 114 114 ARG HD3 H 1 3.118 0.025 . 2 . . . A 114 ARG HD3 . 17806 1 1331 . 1 1 114 114 ARG C C 13 172.310 0.16 . 1 . . . A 114 ARG C . 17806 1 1332 . 1 1 114 114 ARG CA C 13 51.680 0.16 . 1 . . . A 114 ARG CA . 17806 1 1333 . 1 1 114 114 ARG CB C 13 31.174 0.16 . 1 . . . A 114 ARG CB . 17806 1 1334 . 1 1 114 114 ARG CG C 13 26.037 0.16 . 1 . . . A 114 ARG CG . 17806 1 1335 . 1 1 114 114 ARG CD C 13 40.270 0.16 . 1 . . . A 114 ARG CD . 17806 1 1336 . 1 1 114 114 ARG N N 15 119.643 0.12 . 1 . . . A 114 ARG N . 17806 1 1337 . 1 1 115 115 ASP H H 1 8.897 0.025 . 1 . . . A 115 ASP H . 17806 1 1338 . 1 1 115 115 ASP HA H 1 4.267 0.025 . 1 . . . A 115 ASP HA . 17806 1 1339 . 1 1 115 115 ASP HB2 H 1 3.114 0.025 . 2 . . . A 115 ASP HB2 . 17806 1 1340 . 1 1 115 115 ASP HB3 H 1 2.313 0.025 . 2 . . . A 115 ASP HB3 . 17806 1 1341 . 1 1 115 115 ASP C C 13 174.752 0.16 . 1 . . . A 115 ASP C . 17806 1 1342 . 1 1 115 115 ASP CA C 13 53.679 0.16 . 1 . . . A 115 ASP CA . 17806 1 1343 . 1 1 115 115 ASP CB C 13 40.715 0.16 . 1 . . . A 115 ASP CB . 17806 1 1344 . 1 1 115 115 ASP N N 15 117.466 0.12 . 1 . . . A 115 ASP N . 17806 1 1345 . 1 1 116 116 GLY H H 1 10.313 0.025 . 1 . . . A 116 GLY H . 17806 1 1346 . 1 1 116 116 GLY HA2 H 1 4.159 0.025 . 2 . . . A 116 GLY HA2 . 17806 1 1347 . 1 1 116 116 GLY HA3 H 1 3.602 0.025 . 2 . . . A 116 GLY HA3 . 17806 1 1348 . 1 1 116 116 GLY C C 13 171.943 0.16 . 1 . . . A 116 GLY C . 17806 1 1349 . 1 1 116 116 GLY CA C 13 41.847 0.16 . 1 . . . A 116 GLY CA . 17806 1 1350 . 1 1 116 116 GLY N N 15 115.618 0.12 . 1 . . . A 116 GLY N . 17806 1 1351 . 1 1 117 117 LYS H H 1 7.592 0.025 . 1 . . . A 117 LYS H . 17806 1 1352 . 1 1 117 117 LYS HA H 1 4.198 0.025 . 1 . . . A 117 LYS HA . 17806 1 1353 . 1 1 117 117 LYS HB2 H 1 1.803 0.025 . 2 . . . A 117 LYS HB2 . 17806 1 1354 . 1 1 117 117 LYS HB3 H 1 2.512 0.025 . 2 . . . A 117 LYS HB3 . 17806 1 1355 . 1 1 117 117 LYS HG2 H 1 1.582 0.025 . 2 . . . A 117 LYS HG2 . 17806 1 1356 . 1 1 117 117 LYS HG3 H 1 1.090 0.025 . 2 . . . A 117 LYS HG3 . 17806 1 1357 . 1 1 117 117 LYS HD2 H 1 1.796 0.025 . 2 . . . A 117 LYS HD2 . 17806 1 1358 . 1 1 117 117 LYS HD3 H 1 2.027 0.025 . 2 . . . A 117 LYS HD3 . 17806 1 1359 . 1 1 117 117 LYS HE2 H 1 3.199 0.025 . 2 . . . A 117 LYS HE2 . 17806 1 1360 . 1 1 117 117 LYS HE3 H 1 2.671 0.025 . 2 . . . A 117 LYS HE3 . 17806 1 1361 . 1 1 117 117 LYS C C 13 173.207 0.16 . 1 . . . A 117 LYS C . 17806 1 1362 . 1 1 117 117 LYS CA C 13 54.293 0.16 . 1 . . . A 117 LYS CA . 17806 1 1363 . 1 1 117 117 LYS CB C 13 30.061 0.16 . 1 . . . A 117 LYS CB . 17806 1 1364 . 1 1 117 117 LYS CG C 13 22.970 0.16 . 1 . . . A 117 LYS CG . 17806 1 1365 . 1 1 117 117 LYS CD C 13 25.581 0.16 . 1 . . . A 117 LYS CD . 17806 1 1366 . 1 1 117 117 LYS CE C 13 40.512 0.16 . 1 . . . A 117 LYS CE . 17806 1 1367 . 1 1 117 117 LYS N N 15 121.755 0.12 . 1 . . . A 117 LYS N . 17806 1 1368 . 1 1 118 118 GLU H H 1 8.832 0.025 . 1 . . . A 118 GLU H . 17806 1 1369 . 1 1 118 118 GLU HA H 1 4.593 0.025 . 1 . . . A 118 GLU HA . 17806 1 1370 . 1 1 118 118 GLU HB2 H 1 2.154 0.025 . 2 . . . A 118 GLU HB2 . 17806 1 1371 . 1 1 118 118 GLU HB3 H 1 1.932 0.025 . 2 . . . A 118 GLU HB3 . 17806 1 1372 . 1 1 118 118 GLU HG2 H 1 2.463 0.025 . 2 . . . A 118 GLU HG2 . 17806 1 1373 . 1 1 118 118 GLU HG3 H 1 2.290 0.025 . 2 . . . A 118 GLU HG3 . 17806 1 1374 . 1 1 118 118 GLU CA C 13 52.497 0.16 . 1 . . . A 118 GLU CA . 17806 1 1375 . 1 1 118 118 GLU CB C 13 29.244 0.16 . 1 . . . A 118 GLU CB . 17806 1 1376 . 1 1 118 118 GLU CG C 13 33.448 0.16 . 1 . . . A 118 GLU CG . 17806 1 1377 . 1 1 118 118 GLU N N 15 129.965 0.12 . 1 . . . A 118 GLU N . 17806 1 1378 . 1 1 119 119 ILE H H 1 7.812 0.025 . 1 . . . A 119 ILE H . 17806 1 1379 . 1 1 119 119 ILE HA H 1 3.910 0.025 . 1 . . . A 119 ILE HA . 17806 1 1380 . 1 1 119 119 ILE HB H 1 1.644 0.025 . 1 . . . A 119 ILE HB . 17806 1 1381 . 1 1 119 119 ILE HG12 H 1 1.380 0.025 . 2 . . . A 119 ILE HG12 . 17806 1 1382 . 1 1 119 119 ILE HG13 H 1 1.065 0.025 . 2 . . . A 119 ILE HG13 . 17806 1 1383 . 1 1 119 119 ILE HG21 H 1 0.780 0.025 . . . . . A 119 ILE HG21 . 17806 1 1384 . 1 1 119 119 ILE HG22 H 1 0.780 0.025 . . . . . A 119 ILE HG22 . 17806 1 1385 . 1 1 119 119 ILE HG23 H 1 0.780 0.025 . . . . . A 119 ILE HG23 . 17806 1 1386 . 1 1 119 119 ILE HD11 H 1 0.792 0.025 . . . . . A 119 ILE HD11 . 17806 1 1387 . 1 1 119 119 ILE HD12 H 1 0.792 0.025 . . . . . A 119 ILE HD12 . 17806 1 1388 . 1 1 119 119 ILE HD13 H 1 0.792 0.025 . . . . . A 119 ILE HD13 . 17806 1 1389 . 1 1 119 119 ILE C C 13 172.633 0.16 . 1 . . . A 119 ILE C . 17806 1 1390 . 1 1 119 119 ILE CA C 13 58.937 0.16 . 1 . . . A 119 ILE CA . 17806 1 1391 . 1 1 119 119 ILE CB C 13 36.279 0.16 . 1 . . . A 119 ILE CB . 17806 1 1392 . 1 1 119 119 ILE CG1 C 13 26.072 0.16 . 1 . . . A 119 ILE CG1 . 17806 1 1393 . 1 1 119 119 ILE CG2 C 13 18.487 0.16 . 1 . . . A 119 ILE CG2 . 17806 1 1394 . 1 1 119 119 ILE CD1 C 13 14.260 0.16 . 1 . . . A 119 ILE CD1 . 17806 1 1395 . 1 1 119 119 ILE N N 15 124.567 0.12 . 1 . . . A 119 ILE N . 17806 1 1396 . 1 1 120 120 SER H H 1 8.197 0.025 . 1 . . . A 120 SER H . 17806 1 1397 . 1 1 120 120 SER HA H 1 4.621 0.025 . 1 . . . A 120 SER HA . 17806 1 1398 . 1 1 120 120 SER HB2 H 1 3.728 0.025 . 2 . . . A 120 SER HB2 . 17806 1 1399 . 1 1 120 120 SER HB3 H 1 3.844 0.025 . 2 . . . A 120 SER HB3 . 17806 1 1400 . 1 1 120 120 SER C C 13 171.938 0.16 . 1 . . . A 120 SER C . 17806 1 1401 . 1 1 120 120 SER CA C 13 54.127 0.16 . 1 . . . A 120 SER CA . 17806 1 1402 . 1 1 120 120 SER CB C 13 61.639 0.16 . 1 . . . A 120 SER CB . 17806 1 1403 . 1 1 120 120 SER N N 15 120.170 0.12 . 1 . . . A 120 SER N . 17806 1 1404 . 1 1 121 121 THR H H 1 8.387 0.025 . 1 . . . A 121 THR H . 17806 1 1405 . 1 1 121 121 THR HA H 1 4.283 0.025 . 1 . . . A 121 THR HA . 17806 1 1406 . 1 1 121 121 THR HB H 1 4.281 0.025 . 1 . . . A 121 THR HB . 17806 1 1407 . 1 1 121 121 THR HG21 H 1 1.076 0.025 . . . . . A 121 THR HG21 . 17806 1 1408 . 1 1 121 121 THR HG22 H 1 1.076 0.025 . . . . . A 121 THR HG22 . 17806 1 1409 . 1 1 121 121 THR HG23 H 1 1.076 0.025 . . . . . A 121 THR HG23 . 17806 1 1410 . 1 1 121 121 THR C C 13 171.888 0.16 . 1 . . . A 121 THR C . 17806 1 1411 . 1 1 121 121 THR CA C 13 58.968 0.16 . 1 . . . A 121 THR CA . 17806 1 1412 . 1 1 121 121 THR CB C 13 66.687 0.16 . 1 . . . A 121 THR CB . 17806 1 1413 . 1 1 121 121 THR CG2 C 13 18.875 0.16 . 1 . . . A 121 THR CG2 . 17806 1 1414 . 1 1 121 121 THR N N 15 115.284 0.12 . 1 . . . A 121 THR N . 17806 1 1415 . 1 1 122 122 ASP H H 1 8.330 0.025 . 1 . . . A 122 ASP H . 17806 1 1416 . 1 1 122 122 ASP HA H 1 4.726 0.025 . 1 . . . A 122 ASP HA . 17806 1 1417 . 1 1 122 122 ASP HB2 H 1 2.647 0.025 . 2 . . . A 122 ASP HB2 . 17806 1 1418 . 1 1 122 122 ASP HB3 H 1 2.552 0.025 . 2 . . . A 122 ASP HB3 . 17806 1 1419 . 1 1 122 122 ASP C C 13 173.277 0.16 . 1 . . . A 122 ASP C . 17806 1 1420 . 1 1 122 122 ASP CA C 13 51.282 0.16 . 1 . . . A 122 ASP CA . 17806 1 1421 . 1 1 122 122 ASP CB C 13 38.218 0.16 . 1 . . . A 122 ASP CB . 17806 1 1422 . 1 1 122 122 ASP N N 15 121.007 0.12 . 1 . . . A 122 ASP N . 17806 1 1423 . 1 1 123 123 ASP H H 1 8.191 0.025 . 1 . . . A 123 ASP H . 17806 1 1424 . 1 1 123 123 ASP HA H 1 4.493 0.025 . 1 . . . A 123 ASP HA . 17806 1 1425 . 1 1 123 123 ASP HB2 H 1 2.865 0.025 . 2 . . . A 123 ASP HB2 . 17806 1 1426 . 1 1 123 123 ASP HB3 H 1 2.661 0.025 . 2 . . . A 123 ASP HB3 . 17806 1 1427 . 1 1 123 123 ASP C C 13 173.212 0.16 . 1 . . . A 123 ASP C . 17806 1 1428 . 1 1 123 123 ASP CA C 13 54.368 0.16 . 1 . . . A 123 ASP CA . 17806 1 1429 . 1 1 123 123 ASP CB C 13 39.086 0.16 . 1 . . . A 123 ASP CB . 17806 1 1430 . 1 1 123 123 ASP N N 15 121.462 0.12 . 1 . . . A 123 ASP N . 17806 1 1431 . 1 1 124 124 LEU H H 1 7.721 0.025 . 1 . . . A 124 LEU H . 17806 1 1432 . 1 1 124 124 LEU HA H 1 4.428 0.025 . 1 . . . A 124 LEU HA . 17806 1 1433 . 1 1 124 124 LEU HB2 H 1 1.680 0.025 . 2 . . . A 124 LEU HB2 . 17806 1 1434 . 1 1 124 124 LEU HB3 H 1 1.388 0.025 . 2 . . . A 124 LEU HB3 . 17806 1 1435 . 1 1 124 124 LEU HG H 1 1.047 0.025 . 1 . . . A 124 LEU HG . 17806 1 1436 . 1 1 124 124 LEU HD11 H 1 0.613 0.025 . . . . . A 124 LEU HD11 . 17806 1 1437 . 1 1 124 124 LEU HD12 H 1 0.613 0.025 . . . . . A 124 LEU HD12 . 17806 1 1438 . 1 1 124 124 LEU HD13 H 1 0.613 0.025 . . . . . A 124 LEU HD13 . 17806 1 1439 . 1 1 124 124 LEU HD21 H 1 0.802 0.025 . . . . . A 124 LEU HD21 . 17806 1 1440 . 1 1 124 124 LEU HD22 H 1 0.802 0.025 . . . . . A 124 LEU HD22 . 17806 1 1441 . 1 1 124 124 LEU HD23 H 1 0.802 0.025 . . . . . A 124 LEU HD23 . 17806 1 1442 . 1 1 124 124 LEU C C 13 172.477 0.16 . 1 . . . A 124 LEU C . 17806 1 1443 . 1 1 124 124 LEU CA C 13 51.488 0.16 . 1 . . . A 124 LEU CA . 17806 1 1444 . 1 1 124 124 LEU CB C 13 41.469 0.16 . 1 . . . A 124 LEU CB . 17806 1 1445 . 1 1 124 124 LEU CG C 13 24.512 0.16 . 1 . . . A 124 LEU CG . 17806 1 1446 . 1 1 124 124 LEU CD1 C 13 23.725 0.16 . 2 . . . A 124 LEU CD1 . 17806 1 1447 . 1 1 124 124 LEU CD2 C 13 20.985 0.16 . 2 . . . A 124 LEU CD2 . 17806 1 1448 . 1 1 124 124 LEU N N 15 117.572 0.12 . 1 . . . A 124 LEU N . 17806 1 1449 . 1 1 125 125 ASN H H 1 9.065 0.025 . 1 . . . A 125 ASN H . 17806 1 1450 . 1 1 125 125 ASN HA H 1 4.862 0.025 . 1 . . . A 125 ASN HA . 17806 1 1451 . 1 1 125 125 ASN HB2 H 1 2.555 0.025 . 2 . . . A 125 ASN HB2 . 17806 1 1452 . 1 1 125 125 ASN HB3 H 1 2.738 0.025 . 2 . . . A 125 ASN HB3 . 17806 1 1453 . 1 1 125 125 ASN HD21 H 1 6.739 0.025 . 2 . . . A 125 ASN HD21 . 17806 1 1454 . 1 1 125 125 ASN HD22 H 1 7.608 0.025 . 2 . . . A 125 ASN HD22 . 17806 1 1455 . 1 1 125 125 ASN C C 13 170.015 0.16 . 1 . . . A 125 ASN C . 17806 1 1456 . 1 1 125 125 ASN CA C 13 51.306 0.16 . 1 . . . A 125 ASN CA . 17806 1 1457 . 1 1 125 125 ASN CB C 13 36.548 0.16 . 1 . . . A 125 ASN CB . 17806 1 1458 . 1 1 125 125 ASN N N 15 125.852 0.12 . 1 . . . A 125 ASN N . 17806 1 1459 . 1 1 125 125 ASN ND2 N 15 112.256 0.12 . 1 . . . A 125 ASN ND2 . 17806 1 1460 . 1 1 126 126 LEU H H 1 9.033 0.025 . 1 . . . A 126 LEU H . 17806 1 1461 . 1 1 126 126 LEU HA H 1 4.611 0.025 . 1 . . . A 126 LEU HA . 17806 1 1462 . 1 1 126 126 LEU HB2 H 1 1.655 0.025 . 2 . . . A 126 LEU HB2 . 17806 1 1463 . 1 1 126 126 LEU HB3 H 1 1.778 0.025 . 2 . . . A 126 LEU HB3 . 17806 1 1464 . 1 1 126 126 LEU HG H 1 1.473 0.025 . 1 . . . A 126 LEU HG . 17806 1 1465 . 1 1 126 126 LEU HD11 H 1 0.781 0.025 . . . . . A 126 LEU HD11 . 17806 1 1466 . 1 1 126 126 LEU HD12 H 1 0.781 0.025 . . . . . A 126 LEU HD12 . 17806 1 1467 . 1 1 126 126 LEU HD13 H 1 0.781 0.025 . . . . . A 126 LEU HD13 . 17806 1 1468 . 1 1 126 126 LEU HD21 H 1 0.790 0.025 . . . . . A 126 LEU HD21 . 17806 1 1469 . 1 1 126 126 LEU HD22 H 1 0.790 0.025 . . . . . A 126 LEU HD22 . 17806 1 1470 . 1 1 126 126 LEU HD23 H 1 0.790 0.025 . . . . . A 126 LEU HD23 . 17806 1 1471 . 1 1 126 126 LEU C C 13 173.620 0.16 . 1 . . . A 126 LEU C . 17806 1 1472 . 1 1 126 126 LEU CA C 13 50.959 0.16 . 1 . . . A 126 LEU CA . 17806 1 1473 . 1 1 126 126 LEU CB C 13 40.309 0.16 . 1 . . . A 126 LEU CB . 17806 1 1474 . 1 1 126 126 LEU CD1 C 13 22.584 0.16 . 2 . . . A 126 LEU CD1 . 17806 1 1475 . 1 1 126 126 LEU CD2 C 13 19.578 0.16 . 2 . . . A 126 LEU CD2 . 17806 1 1476 . 1 1 126 126 LEU N N 15 124.201 0.12 . 1 . . . A 126 LEU N . 17806 1 1477 . 1 1 127 127 TYR H H 1 7.812 0.025 . 1 . . . A 127 TYR H . 17806 1 1478 . 1 1 127 127 TYR HA H 1 4.748 0.025 . 1 . . . A 127 TYR HA . 17806 1 1479 . 1 1 127 127 TYR HB2 H 1 2.776 0.025 . 2 . . . A 127 TYR HB2 . 17806 1 1480 . 1 1 127 127 TYR HB3 H 1 2.402 0.025 . 2 . . . A 127 TYR HB3 . 17806 1 1481 . 1 1 127 127 TYR HD1 H 1 6.763 0.025 . 3 . . . A 127 TYR HD1 . 17806 1 1482 . 1 1 127 127 TYR HD2 H 1 6.763 0.025 . 3 . . . A 127 TYR HD2 . 17806 1 1483 . 1 1 127 127 TYR HE1 H 1 6.446 0.025 . 3 . . . A 127 TYR HE1 . 17806 1 1484 . 1 1 127 127 TYR HE2 H 1 6.446 0.025 . 3 . . . A 127 TYR HE2 . 17806 1 1485 . 1 1 127 127 TYR C C 13 169.415 0.16 . 1 . . . A 127 TYR C . 17806 1 1486 . 1 1 127 127 TYR CA C 13 55.513 0.16 . 1 . . . A 127 TYR CA . 17806 1 1487 . 1 1 127 127 TYR CB C 13 38.914 0.16 . 1 . . . A 127 TYR CB . 17806 1 1488 . 1 1 127 127 TYR CD1 C 13 128.185 0.16 . 3 . . . A 127 TYR CD1 . 17806 1 1489 . 1 1 127 127 TYR CD2 C 13 128.198 0.16 . 3 . . . A 127 TYR CD2 . 17806 1 1490 . 1 1 127 127 TYR CE1 C 13 115.147 0.16 . 3 . . . A 127 TYR CE1 . 17806 1 1491 . 1 1 127 127 TYR CE2 C 13 115.147 0.16 . 3 . . . A 127 TYR CE2 . 17806 1 1492 . 1 1 127 127 TYR N N 15 124.562 0.12 . 1 . . . A 127 TYR N . 17806 1 1493 . 1 1 128 128 TYR H H 1 8.390 0.025 . 1 . . . A 128 TYR H . 17806 1 1494 . 1 1 128 128 TYR HA H 1 4.424 0.025 . 1 . . . A 128 TYR HA . 17806 1 1495 . 1 1 128 128 TYR HB2 H 1 3.283 0.025 . 2 . . . A 128 TYR HB2 . 17806 1 1496 . 1 1 128 128 TYR HB3 H 1 2.346 0.025 . 2 . . . A 128 TYR HB3 . 17806 1 1497 . 1 1 128 128 TYR HD1 H 1 6.979 0.025 . 3 . . . A 128 TYR HD1 . 17806 1 1498 . 1 1 128 128 TYR HD2 H 1 6.979 0.025 . 3 . . . A 128 TYR HD2 . 17806 1 1499 . 1 1 128 128 TYR HE1 H 1 6.515 0.025 . 3 . . . A 128 TYR HE1 . 17806 1 1500 . 1 1 128 128 TYR HE2 H 1 6.515 0.025 . 3 . . . A 128 TYR HE2 . 17806 1 1501 . 1 1 128 128 TYR C C 13 169.997 0.16 . 1 . . . A 128 TYR C . 17806 1 1502 . 1 1 128 128 TYR CA C 13 54.317 0.16 . 1 . . . A 128 TYR CA . 17806 1 1503 . 1 1 128 128 TYR CB C 13 39.406 0.16 . 1 . . . A 128 TYR CB . 17806 1 1504 . 1 1 128 128 TYR CD1 C 13 129.214 0.16 . 3 . . . A 128 TYR CD1 . 17806 1 1505 . 1 1 128 128 TYR CD2 C 13 129.214 0.16 . 3 . . . A 128 TYR CD2 . 17806 1 1506 . 1 1 128 128 TYR CE1 C 13 112.670 0.16 . 3 . . . A 128 TYR CE1 . 17806 1 1507 . 1 1 128 128 TYR CE2 C 13 112.669 0.16 . 3 . . . A 128 TYR CE2 . 17806 1 1508 . 1 1 128 128 TYR N N 15 126.347 0.12 . 1 . . . A 128 TYR N . 17806 1 1509 . 1 1 129 129 ASN H H 1 7.799 0.025 . 1 . . . A 129 ASN H . 17806 1 1510 . 1 1 129 129 ASN HA H 1 4.428 0.025 . 1 . . . A 129 ASN HA . 17806 1 1511 . 1 1 129 129 ASN HB2 H 1 3.104 0.025 . 2 . . . A 129 ASN HB2 . 17806 1 1512 . 1 1 129 129 ASN HB3 H 1 2.708 0.025 . 2 . . . A 129 ASN HB3 . 17806 1 1513 . 1 1 129 129 ASN HD21 H 1 6.711 0.025 . 2 . . . A 129 ASN HD21 . 17806 1 1514 . 1 1 129 129 ASN HD22 H 1 7.314 0.025 . 2 . . . A 129 ASN HD22 . 17806 1 1515 . 1 1 129 129 ASN CA C 13 50.956 0.16 . 1 . . . A 129 ASN CA . 17806 1 1516 . 1 1 129 129 ASN CB C 13 37.426 0.16 . 1 . . . A 129 ASN CB . 17806 1 1517 . 1 1 129 129 ASN N N 15 123.791 0.12 . 1 . . . A 129 ASN N . 17806 1 1518 . 1 1 129 129 ASN ND2 N 15 110.708 0.12 . 1 . . . A 129 ASN ND2 . 17806 1 stop_ save_