data_4271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4271 _Entry.Title ; Sequence Specific 1H, 13C and 15N Assignments of a Calcium Binding Protein from Entamoeba Histolytica ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-11-30 _Entry.Accession_date 1998-11-30 _Entry.Last_release_date 2000-05-25 _Entry.Original_release_date 2000-05-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Girjesh Govil . . . 4271 2 Kandala Chary . V.R. . 4271 3 Sarata Sahu . C. . 4271 4 Sanjay Chauhan . . . 4271 5 A. Bhattacharya . . . 4271 6 H. Atreya . S. . 4271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 496 4271 '13C chemical shifts' 380 4271 '15N chemical shifts' 131 4271 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 . . 2000-05-25 1998-11-30 original author . 4271 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4271 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99311322 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequence Specific 1H, 13C and 15N Assignments of a Calcium Binding Protein from Entamoeba Histolytica ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 94 _Citation.Year 1999 _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 Girjesh Govil . . . 4271 1 2 Kandala Chary . V.R. . 4271 1 3 Sarata Sahu . C. . 4271 1 4 Sanjay Chauhan . . . 4271 1 5 A. Bhattacharya . . . 4271 1 6 H. Atreya . S. . 4271 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Calcium binding protein' 4271 1 'EF family' 4271 1 'NMR assignments' 4271 1 'Entamoeba histolytica' 4271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Eh_CaBP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Eh_CaBP _Assembly.Entry_ID 4271 _Assembly.ID 1 _Assembly.Name 'Calcium binding protein from Entamoeba Histolytica' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4271 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Eh CaBP' 1 $Eh_CaBP . . . native . . . . . 4271 1 2 'Calcium Ion' 2 $CA . . . native . . . . . 4271 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Calcium binding protein from Entamoeba Histolytica' system 4271 1 'Eh CaBP' abbreviation 4271 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Pathogenesis of amoebiasis' 4271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Eh_CaBP _Entity.Sf_category entity _Entity.Sf_framecode Eh_CaBP _Entity.Entry_ID 4271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Entamoeba Histolytica CaBP' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAEALFKEIDVNGDGAVSYE EVKAFVSKKRAIKNEQLLQL IFKSIDADGNGEIDQNEFAK FYGSIQGQDLSDDKIGLKVL YKLMDVDGDGKLTKEEVTSF FKKHGIEKVAEQVMKADANG DGYITLEEFLEFSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14939 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 19197 . (Y81F)-EhCaBP1 . . . . . 100.00 134 99.25 100.00 4.61e-86 . . . . 4271 1 2 no PDB 1JFJ . "Nmr Solution Structure Of An Ef-Hand Calcium Binding Protein From Entamoeba Histolytica" . . . . . 99.25 134 100.00 100.00 1.13e-85 . . . . 4271 1 3 no PDB 1JFK . "Minimum Energy Representative Structure Of A Calcium Bound Ef-hand Protein From Entamoeba Histolytica" . . . . . 99.25 134 100.00 100.00 1.13e-85 . . . . 4271 1 4 no PDB 2M7N . "C-terminal Structure Of (y81f)-ehcabp1" . . . . . 100.00 134 99.25 100.00 4.61e-86 . . . . 4271 1 5 no PDB 2NXQ . "Crystal Structure Of Calcium Binding Protein 1 From Entamoeba Histolytica: A Novel Arrangement Of Ef Hand Motifs" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 6 no PDB 3PX1 . "Structure Of Calcium Binding Protein-1 From Entamoeba Histolytica In Complex With Strontium" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 7 no PDB 3QJK . "Structure Of Calcium Binding Protein-1 From Entamoeba Histolytica In Complex With Lead" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 8 no PDB 3ULG . "Crystal Structure Of Calcium-Binding Protein-1 From Entamoeba Histolytica In Complex With Barium" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 9 no DBJ BAN39246 . "calcium-binding protein 1 (EhCBP1) [Entamoeba histolytica]" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 10 no GB AAA29089 . "calcium-binding protein 1 [Entamoeba histolytica]" . . . . . 100.00 134 99.25 99.25 8.31e-86 . . . . 4271 1 11 no GB EAL48959 . "calcium-binding protein 1 (EhCBP1) [Entamoeba histolytica HM-1:IMSS]" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 12 no GB EKE39141 . "calcium-binding protein 1 (EhCBP1), putative [Entamoeba nuttalli P19]" . . . . . 100.00 134 98.51 99.25 2.12e-85 . . . . 4271 1 13 no GB EMD43507 . "calcium binding protein, putative [Entamoeba histolytica KU27]" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 14 no GB EMH75928 . "calcium-binding protein 1 (EhCBP1), putative [Entamoeba histolytica HM-1:IMSS-B]" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 15 no REF XP_008858522 . "calcium-binding protein 1 (EhCBP1), putative [Entamoeba nuttalli P19]" . . . . . 100.00 134 98.51 99.25 2.12e-85 . . . . 4271 1 16 no REF XP_654345 . "calcium-binding protein 1 (EhCBP1) [Entamoeba histolytica HM-1:IMSS]" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 17 no SP P38505 . "RecName: Full=Calcium-binding protein; Short=CABP" . . . . . 100.00 134 100.00 100.00 1.26e-86 . . . . 4271 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Entamoeba Histolytica CaBP' common 4271 1 'Eh CaBP' abbreviation 4271 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 . MET . 4271 1 2 . ALA . 4271 1 3 . GLU . 4271 1 4 . ALA . 4271 1 5 . LEU . 4271 1 6 . PHE . 4271 1 7 . LYS . 4271 1 8 . GLU . 4271 1 9 . ILE . 4271 1 10 . ASP . 4271 1 11 . VAL . 4271 1 12 . ASN . 4271 1 13 . GLY . 4271 1 14 . ASP . 4271 1 15 . GLY . 4271 1 16 . ALA . 4271 1 17 . VAL . 4271 1 18 . SER . 4271 1 19 . TYR . 4271 1 20 . GLU . 4271 1 21 . GLU . 4271 1 22 . VAL . 4271 1 23 . LYS . 4271 1 24 . ALA . 4271 1 25 . PHE . 4271 1 26 . VAL . 4271 1 27 . SER . 4271 1 28 . LYS . 4271 1 29 . LYS . 4271 1 30 . ARG . 4271 1 31 . ALA . 4271 1 32 . ILE . 4271 1 33 . LYS . 4271 1 34 . ASN . 4271 1 35 . GLU . 4271 1 36 . GLN . 4271 1 37 . LEU . 4271 1 38 . LEU . 4271 1 39 . GLN . 4271 1 40 . LEU . 4271 1 41 . ILE . 4271 1 42 . PHE . 4271 1 43 . LYS . 4271 1 44 . SER . 4271 1 45 . ILE . 4271 1 46 . ASP . 4271 1 47 . ALA . 4271 1 48 . ASP . 4271 1 49 . GLY . 4271 1 50 . ASN . 4271 1 51 . GLY . 4271 1 52 . GLU . 4271 1 53 . ILE . 4271 1 54 . ASP . 4271 1 55 . GLN . 4271 1 56 . ASN . 4271 1 57 . GLU . 4271 1 58 . PHE . 4271 1 59 . ALA . 4271 1 60 . LYS . 4271 1 61 . PHE . 4271 1 62 . TYR . 4271 1 63 . GLY . 4271 1 64 . SER . 4271 1 65 . ILE . 4271 1 66 . GLN . 4271 1 67 . GLY . 4271 1 68 . GLN . 4271 1 69 . ASP . 4271 1 70 . LEU . 4271 1 71 . SER . 4271 1 72 . ASP . 4271 1 73 . ASP . 4271 1 74 . LYS . 4271 1 75 . ILE . 4271 1 76 . GLY . 4271 1 77 . LEU . 4271 1 78 . LYS . 4271 1 79 . VAL . 4271 1 80 . LEU . 4271 1 81 . TYR . 4271 1 82 . LYS . 4271 1 83 . LEU . 4271 1 84 . MET . 4271 1 85 . ASP . 4271 1 86 . VAL . 4271 1 87 . ASP . 4271 1 88 . GLY . 4271 1 89 . ASP . 4271 1 90 . GLY . 4271 1 91 . LYS . 4271 1 92 . LEU . 4271 1 93 . THR . 4271 1 94 . LYS . 4271 1 95 . GLU . 4271 1 96 . GLU . 4271 1 97 . VAL . 4271 1 98 . THR . 4271 1 99 . SER . 4271 1 100 . PHE . 4271 1 101 . PHE . 4271 1 102 . LYS . 4271 1 103 . LYS . 4271 1 104 . HIS . 4271 1 105 . GLY . 4271 1 106 . ILE . 4271 1 107 . GLU . 4271 1 108 . LYS . 4271 1 109 . VAL . 4271 1 110 . ALA . 4271 1 111 . GLU . 4271 1 112 . GLN . 4271 1 113 . VAL . 4271 1 114 . MET . 4271 1 115 . LYS . 4271 1 116 . ALA . 4271 1 117 . ASP . 4271 1 118 . ALA . 4271 1 119 . ASN . 4271 1 120 . GLY . 4271 1 121 . ASP . 4271 1 122 . GLY . 4271 1 123 . TYR . 4271 1 124 . ILE . 4271 1 125 . THR . 4271 1 126 . LEU . 4271 1 127 . GLU . 4271 1 128 . GLU . 4271 1 129 . PHE . 4271 1 130 . LEU . 4271 1 131 . GLU . 4271 1 132 . PHE . 4271 1 133 . SER . 4271 1 134 . LEU . 4271 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4271 1 . ALA 2 2 4271 1 . GLU 3 3 4271 1 . ALA 4 4 4271 1 . LEU 5 5 4271 1 . PHE 6 6 4271 1 . LYS 7 7 4271 1 . GLU 8 8 4271 1 . ILE 9 9 4271 1 . ASP 10 10 4271 1 . VAL 11 11 4271 1 . ASN 12 12 4271 1 . GLY 13 13 4271 1 . ASP 14 14 4271 1 . GLY 15 15 4271 1 . ALA 16 16 4271 1 . VAL 17 17 4271 1 . SER 18 18 4271 1 . TYR 19 19 4271 1 . GLU 20 20 4271 1 . GLU 21 21 4271 1 . VAL 22 22 4271 1 . LYS 23 23 4271 1 . ALA 24 24 4271 1 . PHE 25 25 4271 1 . VAL 26 26 4271 1 . SER 27 27 4271 1 . LYS 28 28 4271 1 . LYS 29 29 4271 1 . ARG 30 30 4271 1 . ALA 31 31 4271 1 . ILE 32 32 4271 1 . LYS 33 33 4271 1 . ASN 34 34 4271 1 . GLU 35 35 4271 1 . GLN 36 36 4271 1 . LEU 37 37 4271 1 . LEU 38 38 4271 1 . GLN 39 39 4271 1 . LEU 40 40 4271 1 . ILE 41 41 4271 1 . PHE 42 42 4271 1 . LYS 43 43 4271 1 . SER 44 44 4271 1 . ILE 45 45 4271 1 . ASP 46 46 4271 1 . ALA 47 47 4271 1 . ASP 48 48 4271 1 . GLY 49 49 4271 1 . ASN 50 50 4271 1 . GLY 51 51 4271 1 . GLU 52 52 4271 1 . ILE 53 53 4271 1 . ASP 54 54 4271 1 . GLN 55 55 4271 1 . ASN 56 56 4271 1 . GLU 57 57 4271 1 . PHE 58 58 4271 1 . ALA 59 59 4271 1 . LYS 60 60 4271 1 . PHE 61 61 4271 1 . TYR 62 62 4271 1 . GLY 63 63 4271 1 . SER 64 64 4271 1 . ILE 65 65 4271 1 . GLN 66 66 4271 1 . GLY 67 67 4271 1 . GLN 68 68 4271 1 . ASP 69 69 4271 1 . LEU 70 70 4271 1 . SER 71 71 4271 1 . ASP 72 72 4271 1 . ASP 73 73 4271 1 . LYS 74 74 4271 1 . ILE 75 75 4271 1 . GLY 76 76 4271 1 . LEU 77 77 4271 1 . LYS 78 78 4271 1 . VAL 79 79 4271 1 . LEU 80 80 4271 1 . TYR 81 81 4271 1 . LYS 82 82 4271 1 . LEU 83 83 4271 1 . MET 84 84 4271 1 . ASP 85 85 4271 1 . VAL 86 86 4271 1 . ASP 87 87 4271 1 . GLY 88 88 4271 1 . ASP 89 89 4271 1 . GLY 90 90 4271 1 . LYS 91 91 4271 1 . LEU 92 92 4271 1 . THR 93 93 4271 1 . LYS 94 94 4271 1 . GLU 95 95 4271 1 . GLU 96 96 4271 1 . VAL 97 97 4271 1 . THR 98 98 4271 1 . SER 99 99 4271 1 . PHE 100 100 4271 1 . PHE 101 101 4271 1 . LYS 102 102 4271 1 . LYS 103 103 4271 1 . HIS 104 104 4271 1 . GLY 105 105 4271 1 . ILE 106 106 4271 1 . GLU 107 107 4271 1 . LYS 108 108 4271 1 . VAL 109 109 4271 1 . ALA 110 110 4271 1 . GLU 111 111 4271 1 . GLN 112 112 4271 1 . VAL 113 113 4271 1 . MET 114 114 4271 1 . LYS 115 115 4271 1 . ALA 116 116 4271 1 . ASP 117 117 4271 1 . ALA 118 118 4271 1 . ASN 119 119 4271 1 . GLY 120 120 4271 1 . ASP 121 121 4271 1 . GLY 122 122 4271 1 . TYR 123 123 4271 1 . ILE 124 124 4271 1 . THR 125 125 4271 1 . LEU 126 126 4271 1 . GLU 127 127 4271 1 . GLU 128 128 4271 1 . PHE 129 129 4271 1 . LEU 130 130 4271 1 . GLU 131 131 4271 1 . PHE 132 132 4271 1 . SER 133 133 4271 1 . LEU 134 134 4271 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4271 _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 . _Entity.Thiol_state . _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 . 4271 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 4271 _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 $Eh_CaBP . 5759 organism . 'Entamoeba histolytica' 'Entamoeba Histolytica' . . Eukaryota . Entamoeba histolytica . . . . . . . . . . . . . . . . . . . . . 4271 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 4271 _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 $Eh_CaBP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4271 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 4271 _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 . _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 Thu Jun 9 11:49:01 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 [Ca+2] SMILES ACDLabs 10.04 4271 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4271 CA [Ca++] SMILES CACTVS 3.341 4271 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4271 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4271 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4271 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4271 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 4271 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4271 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 . 4271 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4271 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Entamoeba Histolytica CaBP' '[U-98% 13C; U-98% 15N]' . . 1 $Eh_CaBP . . . 3 4 mM . . . . 4271 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4271 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Entamoeba Histolytica CaBP' '[U-98% 15N]' . . 1 $Eh_CaBP . . . 3 4 mM . . . . 4271 2 stop_ save_ ####################### # Sample conditions # ####################### save_cabp1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cabp1 _Sample_condition_list.Entry_ID 4271 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 4271 1 temperature 308 0.1 K 4271 1 'ionic strength' 0.05 0.01 M 4271 1 pressure 1 . atm 4271 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4271 _Software.ID 1 _Software.Name Felix _Software.Version 95.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ; Some C programmes were written with peak lists from triple resonance spectra as input to make the assignments semi-automated. ; 4271 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4271 _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 NMR_spectrometer Varian 'Unity plus' . 600 . . . 4271 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 4271 _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 15N-HSQC . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 2 15N-TOCSY-HSQC . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 3 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 4 HCA . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 5 H(CO)CA . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 6 HCO . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 7 CBCANH . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $cabp1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4271 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name H(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4271 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4271 _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 N 15 NH4Cl nitrogen . . . . ppm 24.93 external direct . . cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4271 1 C 13 DSS 'methyl carbons' . . . . ppm 0.00 external direct . . cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4271 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_chemical_shift_of_EhCaBP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_of_EhCaBP _Assigned_chem_shift_list.Entry_ID 4271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cabp1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; some resonances show doublets which could be due to lenght heterogenity as the level of expression was high or could be due to slow time scale motion at some sites of the protein ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4271 1 . . 2 $sample_2 . 4271 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 4 4 ALA N N 15 128.450 0.20 . 1 . . . . . . . . 4271 1 2 . 1 1 4 4 ALA H H 1 8.620 0.02 . 1 . . . . . . . . 4271 1 3 . 1 1 4 4 ALA CA C 13 54.250 0.10 . 1 . . . . . . . . 4271 1 4 . 1 1 4 4 ALA HA H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 5 . 1 1 4 4 ALA HB1 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 6 . 1 1 4 4 ALA HB2 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 7 . 1 1 4 4 ALA HB3 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 8 . 1 1 4 4 ALA CB C 13 18.730 0.10 . 1 . . . . . . . . 4271 1 9 . 1 1 4 4 ALA C C 13 179.120 0.10 . 1 . . . . . . . . 4271 1 10 . 1 1 5 5 LEU N N 15 123.640 0.20 . 1 . . . . . . . . 4271 1 11 . 1 1 5 5 LEU H H 1 8.190 0.02 . 1 . . . . . . . . 4271 1 12 . 1 1 5 5 LEU CA C 13 57.480 0.10 . 1 . . . . . . . . 4271 1 13 . 1 1 5 5 LEU HA H 1 4.210 0.00 . 1 . . . . . . . . 4271 1 14 . 1 1 5 5 LEU CB C 13 32.600 0.10 . 1 . . . . . . . . 4271 1 15 . 1 1 5 5 LEU HB2 H 1 1.690 0.00 . 1 . . . . . . . . 4271 1 16 . 1 1 5 5 LEU C C 13 177.920 0.10 . 1 . . . . . . . . 4271 1 17 . 1 1 6 6 PHE N N 15 121.680 0.20 . 1 . . . . . . . . 4271 1 18 . 1 1 6 6 PHE H H 1 7.460 0.02 . 1 . . . . . . . . 4271 1 19 . 1 1 6 6 PHE CA C 13 62.320 0.10 . 1 . . . . . . . . 4271 1 20 . 1 1 6 6 PHE HA H 1 4.450 0.00 . 1 . . . . . . . . 4271 1 21 . 1 1 6 6 PHE CB C 13 39.500 0.10 . 1 . . . . . . . . 4271 1 22 . 1 1 6 6 PHE HB2 H 1 2.650 0.00 . 1 . . . . . . . . 4271 1 23 . 1 1 6 6 PHE HB3 H 1 2.250 0.00 . 1 . . . . . . . . 4271 1 24 . 1 1 6 6 PHE C C 13 175.510 0.10 . 1 . . . . . . . . 4271 1 25 . 1 1 7 7 LYS N N 15 117.750 0.20 . 1 . . . . . . . . 4271 1 26 . 1 1 7 7 LYS H H 1 7.570 0.02 . 1 . . . . . . . . 4271 1 27 . 1 1 7 7 LYS CA C 13 58.750 0.10 . 1 . . . . . . . . 4271 1 28 . 1 1 7 7 LYS HA H 1 3.960 0.00 . 1 . . . . . . . . 4271 1 29 . 1 1 7 7 LYS CB C 13 32.500 0.10 . 1 . . . . . . . . 4271 1 30 . 1 1 7 7 LYS HB2 H 1 1.880 0.00 . 1 . . . . . . . . 4271 1 31 . 1 1 7 7 LYS HB3 H 1 1.880 0.00 . 1 . . . . . . . . 4271 1 32 . 1 1 7 7 LYS C C 13 177.920 0.10 . 1 . . . . . . . . 4271 1 33 . 1 1 8 8 GLU N N 15 121.020 0.20 . 1 . . . . . . . . 4271 1 34 . 1 1 8 8 GLU H H 1 7.480 0.02 . 1 . . . . . . . . 4271 1 35 . 1 1 8 8 GLU CA C 13 58.500 0.10 . 1 . . . . . . . . 4271 1 36 . 1 1 8 8 GLU HA H 1 3.930 0.00 . 1 . . . . . . . . 4271 1 37 . 1 1 8 8 GLU CB C 13 29.830 0.10 . 1 . . . . . . . . 4271 1 38 . 1 1 8 8 GLU HB2 H 1 2.120 0.00 . 1 . . . . . . . . 4271 1 39 . 1 1 8 8 GLU HB3 H 1 2.220 0.00 . 1 . . . . . . . . 4271 1 40 . 1 1 8 8 GLU C C 13 177.690 0.10 . 1 . . . . . . . . 4271 1 41 . 1 1 9 9 ILE N N 15 121.240 0.20 . 1 . . . . . . . . 4271 1 42 . 1 1 9 9 ILE H H 1 7.230 0.02 . 1 . . . . . . . . 4271 1 43 . 1 1 9 9 ILE CA C 13 63.640 0.10 . 1 . . . . . . . . 4271 1 44 . 1 1 9 9 ILE HA H 1 3.560 0.00 . 1 . . . . . . . . 4271 1 45 . 1 1 9 9 ILE CB C 13 38.350 0.10 . 1 . . . . . . . . 4271 1 46 . 1 1 9 9 ILE HB H 1 1.140 0.00 . 1 . . . . . . . . 4271 1 47 . 1 1 9 9 ILE C C 13 177.620 0.10 . 1 . . . . . . . . 4271 1 48 . 1 1 10 10 ASP N N 15 122.330 0.20 . 1 . . . . . . . . 4271 1 49 . 1 1 10 10 ASP H H 1 7.680 0.02 . 1 . . . . . . . . 4271 1 50 . 1 1 10 10 ASP CA C 13 52.990 0.10 . 1 . . . . . . . . 4271 1 51 . 1 1 10 10 ASP HA H 1 4.540 0.00 . 1 . . . . . . . . 4271 1 52 . 1 1 10 10 ASP CB C 13 39.030 0.10 . 1 . . . . . . . . 4271 1 53 . 1 1 10 10 ASP HB2 H 1 2.500 0.00 . 1 . . . . . . . . 4271 1 54 . 1 1 10 10 ASP HB3 H 1 1.590 0.00 . 1 . . . . . . . . 4271 1 55 . 1 1 10 10 ASP C C 13 177.320 0.10 . 1 . . . . . . . . 4271 1 56 . 1 1 11 11 VAL N N 15 127.570 0.20 . 1 . . . . . . . . 4271 1 57 . 1 1 11 11 VAL H H 1 8.070 0.02 . 1 . . . . . . . . 4271 1 58 . 1 1 11 11 VAL CA C 13 65.190 0.10 . 1 . . . . . . . . 4271 1 59 . 1 1 11 11 VAL HA H 1 3.890 0.00 . 1 . . . . . . . . 4271 1 60 . 1 1 11 11 VAL CB C 13 32.320 0.10 . 1 . . . . . . . . 4271 1 61 . 1 1 11 11 VAL HB H 1 2.150 0.00 . 1 . . . . . . . . 4271 1 62 . 1 1 11 11 VAL C C 13 177.470 0.10 . 1 . . . . . . . . 4271 1 63 . 1 1 12 12 ASN N N 15 117.750 0.20 . 1 . . . . . . . . 4271 1 64 . 1 1 12 12 ASN H H 1 7.830 0.02 . 1 . . . . . . . . 4271 1 65 . 1 1 12 12 ASN CA C 13 52.100 0.10 . 1 . . . . . . . . 4271 1 66 . 1 1 12 12 ASN HA H 1 4.840 0.00 . 1 . . . . . . . . 4271 1 67 . 1 1 12 12 ASN CB C 13 37.120 0.10 . 1 . . . . . . . . 4271 1 68 . 1 1 12 12 ASN HB2 H 1 3.350 0.00 . 1 . . . . . . . . 4271 1 69 . 1 1 12 12 ASN HB3 H 1 2.970 0.00 . 1 . . . . . . . . 4271 1 70 . 1 1 12 12 ASN C C 13 176.570 0.10 . 1 . . . . . . . . 4271 1 71 . 1 1 13 13 GLY N N 15 112.500 0.20 . 1 . . . . . . . . 4271 1 72 . 1 1 13 13 GLY H H 1 7.750 0.02 . 1 . . . . . . . . 4271 1 73 . 1 1 13 13 GLY CA C 13 47.530 0.10 . 1 . . . . . . . . 4271 1 74 . 1 1 13 13 GLY HA3 H 1 3.850 0.00 . 2 . . . . . . . . 4271 1 75 . 1 1 13 13 GLY C C 13 174.910 0.10 . 1 . . . . . . . . 4271 1 76 . 1 1 14 14 ASP N N 15 121.680 0.20 . 1 . . . . . . . . 4271 1 77 . 1 1 14 14 ASP H H 1 8.150 0.02 . 1 . . . . . . . . 4271 1 78 . 1 1 14 14 ASP CA C 13 53.400 0.10 . 1 . . . . . . . . 4271 1 79 . 1 1 14 14 ASP HA H 1 4.600 0.00 . 1 . . . . . . . . 4271 1 80 . 1 1 14 14 ASP CB C 13 40.410 0.10 . 1 . . . . . . . . 4271 1 81 . 1 1 14 14 ASP HB2 H 1 3.190 0.00 . 1 . . . . . . . . 4271 1 82 . 1 1 14 14 ASP HB3 H 1 2.490 0.00 . 1 . . . . . . . . 4271 1 83 . 1 1 14 14 ASP C C 13 177.770 0.10 . 1 . . . . . . . . 4271 1 84 . 1 1 15 15 GLY N N 15 116.220 0.20 . 1 . . . . . . . . 4271 1 85 . 1 1 15 15 GLY H H 1 10.360 0.02 . 1 . . . . . . . . 4271 1 86 . 1 1 15 15 GLY CA C 13 45.910 0.10 . 1 . . . . . . . . 4271 1 87 . 1 1 15 15 GLY HA2 H 1 4.290 0.00 . 2 . . . . . . . . 4271 1 88 . 1 1 15 15 GLY HA3 H 1 3.630 0.00 . 2 . . . . . . . . 4271 1 89 . 1 1 15 15 GLY C C 13 172.510 0.10 . 1 . . . . . . . . 4271 1 90 . 1 1 16 16 ALA N N 15 125.830 0.20 . 1 . . . . . . . . 4271 1 91 . 1 1 16 16 ALA H H 1 8.020 0.02 . 1 . . . . . . . . 4271 1 92 . 1 1 16 16 ALA CA C 13 50.440 0.10 . 1 . . . . . . . . 4271 1 93 . 1 1 16 16 ALA HA H 1 5.040 0.00 . 1 . . . . . . . . 4271 1 94 . 1 1 16 16 ALA HB1 H 1 1.160 0.00 . 1 . . . . . . . . 4271 1 95 . 1 1 16 16 ALA HB2 H 1 1.160 0.00 . 1 . . . . . . . . 4271 1 96 . 1 1 16 16 ALA HB3 H 1 1.160 0.00 . 1 . . . . . . . . 4271 1 97 . 1 1 16 16 ALA CB C 13 22.840 0.10 . 1 . . . . . . . . 4271 1 98 . 1 1 16 16 ALA C C 13 175.810 0.10 . 1 . . . . . . . . 4271 1 99 . 1 1 17 17 VAL N N 15 127.790 0.20 . 1 . . . . . . . . 4271 1 100 . 1 1 17 17 VAL H H 1 9.510 0.02 . 1 . . . . . . . . 4271 1 101 . 1 1 17 17 VAL CA C 13 60.770 0.10 . 1 . . . . . . . . 4271 1 102 . 1 1 17 17 VAL HA H 1 5.070 0.00 . 1 . . . . . . . . 4271 1 103 . 1 1 17 17 VAL CB C 13 33.270 0.10 . 1 . . . . . . . . 4271 1 104 . 1 1 17 17 VAL HB H 1 1.900 0.00 . 1 . . . . . . . . 4271 1 105 . 1 1 17 17 VAL C C 13 175.360 0.10 . 1 . . . . . . . . 4271 1 106 . 1 1 18 18 SER N N 15 128.230 0.20 . 1 . . . . . . . . 4271 1 107 . 1 1 18 18 SER H H 1 9.060 0.02 . 1 . . . . . . . . 4271 1 108 . 1 1 18 18 SER CA C 13 56.250 0.10 . 1 . . . . . . . . 4271 1 109 . 1 1 18 18 SER HA H 1 5.040 0.00 . 1 . . . . . . . . 4271 1 110 . 1 1 18 18 SER CB C 13 66.470 0.10 . 1 . . . . . . . . 4271 1 111 . 1 1 18 18 SER HB2 H 1 4.570 0.00 . 1 . . . . . . . . 4271 1 112 . 1 1 18 18 SER HB3 H 1 4.100 0.00 . 1 . . . . . . . . 4271 1 113 . 1 1 18 18 SER C C 13 175.069 0.10 . 1 . . . . . . . . 4271 1 114 . 1 1 19 19 TYR N N 15 126.700 0.20 . 1 . . . . . . . . 4271 1 115 . 1 1 19 19 TYR H H 1 9.260 0.02 . 1 . . . . . . . . 4271 1 116 . 1 1 19 19 TYR CA C 13 62.750 0.10 . 1 . . . . . . . . 4271 1 117 . 1 1 19 19 TYR HA H 1 3.400 0.00 . 1 . . . . . . . . 4271 1 118 . 1 1 19 19 TYR CB C 13 37.520 0.10 . 1 . . . . . . . . 4271 1 119 . 1 1 19 19 TYR HB2 H 1 2.490 0.00 . 1 . . . . . . . . 4271 1 120 . 1 1 19 19 TYR HB3 H 1 1.910 0.00 . 1 . . . . . . . . 4271 1 121 . 1 1 19 19 TYR C C 13 177.100 0.10 . 1 . . . . . . . . 4271 1 122 . 1 1 20 20 GLU N N 15 120.590 0.20 . 1 . . . . . . . . 4271 1 123 . 1 1 20 20 GLU H H 1 8.620 0.02 . 1 . . . . . . . . 4271 1 124 . 1 1 20 20 GLU HA H 1 3.680 0.00 . 1 . . . . . . . . 4271 1 125 . 1 1 20 20 GLU HB2 H 1 2.050 0.00 . 1 . . . . . . . . 4271 1 126 . 1 1 20 20 GLU HB3 H 1 2.050 0.00 . 1 . . . . . . . . 4271 1 127 . 1 1 20 20 GLU CA C 13 60.230 0.10 . 1 . . . . . . . . 4271 1 128 . 1 1 20 20 GLU CB C 13 28.890 0.10 . 1 . . . . . . . . 4271 1 129 . 1 1 20 20 GLU C C 13 180.020 0.10 . 1 . . . . . . . . 4271 1 130 . 1 1 21 21 GLU N N 15 123.860 0.20 . 1 . . . . . . . . 4271 1 131 . 1 1 21 21 GLU H H 1 7.820 0.02 . 1 . . . . . . . . 4271 1 132 . 1 1 21 21 GLU CA C 13 59.440 0.10 . 1 . . . . . . . . 4271 1 133 . 1 1 21 21 GLU HA H 1 4.130 0.00 . 1 . . . . . . . . 4271 1 134 . 1 1 21 21 GLU CB C 13 28.880 0.10 . 1 . . . . . . . . 4271 1 135 . 1 1 21 21 GLU HB2 H 1 2.380 0.00 . 1 . . . . . . . . 4271 1 136 . 1 1 21 21 GLU HB3 H 1 2.200 0.00 . 1 . . . . . . . . 4271 1 137 . 1 1 21 21 GLU C C 13 180.390 0.10 . 1 . . . . . . . . 4271 1 138 . 1 1 22 22 VAL N N 15 126.050 0.20 . 1 . . . . . . . . 4271 1 139 . 1 1 22 22 VAL H H 1 8.230 0.02 . 1 . . . . . . . . 4271 1 140 . 1 1 22 22 VAL CA C 13 67.840 0.10 . 1 . . . . . . . . 4271 1 141 . 1 1 22 22 VAL HA H 1 3.570 0.00 . 1 . . . . . . . . 4271 1 142 . 1 1 22 22 VAL CB C 13 31.350 0.10 . 1 . . . . . . . . 4271 1 143 . 1 1 22 22 VAL HB H 1 2.250 0.00 . 1 . . . . . . . . 4271 1 144 . 1 1 22 22 VAL C C 13 176.870 0.10 . 1 . . . . . . . . 4271 1 145 . 1 1 23 23 LYS N N 15 124.080 0.20 . 1 . . . . . . . . 4271 1 146 . 1 1 23 23 LYS H H 1 8.720 0.02 . 1 . . . . . . . . 4271 1 147 . 1 1 23 23 LYS CA C 13 60.630 0.10 . 1 . . . . . . . . 4271 1 148 . 1 1 23 23 LYS HA H 1 3.570 0.00 . 1 . . . . . . . . 4271 1 149 . 1 1 23 23 LYS CB C 13 32.170 0.10 . 1 . . . . . . . . 4271 1 150 . 1 1 23 23 LYS HB2 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 151 . 1 1 23 23 LYS HB3 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 152 . 1 1 23 23 LYS HE2 H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 153 . 1 1 23 23 LYS HE3 H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 154 . 1 1 23 23 LYS C C 13 178.740 0.10 . 1 . . . . . . . . 4271 1 155 . 1 1 24 24 ALA N N 15 125.170 0.20 . 1 . . . . . . . . 4271 1 156 . 1 1 24 24 ALA H H 1 8.180 0.02 . 1 . . . . . . . . 4271 1 157 . 1 1 24 24 ALA CA C 13 55.210 0.10 . 1 . . . . . . . . 4271 1 158 . 1 1 24 24 ALA HA H 1 4.070 0.00 . 1 . . . . . . . . 4271 1 159 . 1 1 24 24 ALA HB1 H 1 1.530 0.00 . 1 . . . . . . . . 4271 1 160 . 1 1 24 24 ALA HB2 H 1 1.530 0.00 . 1 . . . . . . . . 4271 1 161 . 1 1 24 24 ALA HB3 H 1 1.530 0.00 . 1 . . . . . . . . 4271 1 162 . 1 1 24 24 ALA CB C 13 18.860 0.10 . 1 . . . . . . . . 4271 1 163 . 1 1 24 24 ALA C C 13 179.640 0.10 . 1 . . . . . . . . 4271 1 164 . 1 1 25 25 PHE N N 15 121.680 0.20 . 1 . . . . . . . . 4271 1 165 . 1 1 25 25 PHE H H 1 7.790 0.02 . 1 . . . . . . . . 4271 1 166 . 1 1 25 25 PHE CA C 13 61.480 0.10 . 1 . . . . . . . . 4271 1 167 . 1 1 25 25 PHE HA H 1 4.260 0.00 . 1 . . . . . . . . 4271 1 168 . 1 1 25 25 PHE CB C 13 40.120 0.10 . 1 . . . . . . . . 4271 1 169 . 1 1 25 25 PHE HB2 H 1 3.510 0.00 . 1 . . . . . . . . 4271 1 170 . 1 1 25 25 PHE HB3 H 1 3.210 0.00 . 1 . . . . . . . . 4271 1 171 . 1 1 25 25 PHE C C 13 177.540 0.10 . 1 . . . . . . . . 4271 1 172 . 1 1 26 26 VAL N N 15 121.240 0.20 . 1 . . . . . . . . 4271 1 173 . 1 1 26 26 VAL H H 1 8.780 0.02 . 1 . . . . . . . . 4271 1 174 . 1 1 26 26 VAL CA C 13 66.950 0.10 . 1 . . . . . . . . 4271 1 175 . 1 1 26 26 VAL HA H 1 3.290 0.00 . 1 . . . . . . . . 4271 1 176 . 1 1 26 26 VAL CB C 13 32.040 0.10 . 1 . . . . . . . . 4271 1 177 . 1 1 26 26 VAL HB H 1 2.160 0.00 . 1 . . . . . . . . 4271 1 178 . 1 1 26 26 VAL C C 13 178.070 0.10 . 1 . . . . . . . . 4271 1 179 . 1 1 27 27 SER N N 15 116.220 0.20 . 1 . . . . . . . . 4271 1 180 . 1 1 27 27 SER H H 1 8.270 0.02 . 1 . . . . . . . . 4271 1 181 . 1 1 27 27 SER CA C 13 60.900 0.10 . 1 . . . . . . . . 4271 1 182 . 1 1 27 27 SER HA H 1 4.930 0.00 . 1 . . . . . . . . 4271 1 183 . 1 1 27 27 SER CB C 13 63.320 0.10 . 1 . . . . . . . . 4271 1 184 . 1 1 27 27 SER HB2 H 1 4.020 0.00 . 1 . . . . . . . . 4271 1 185 . 1 1 27 27 SER HB3 H 1 4.020 0.00 . 1 . . . . . . . . 4271 1 186 . 1 1 27 27 SER C C 13 175.290 0.10 . 1 . . . . . . . . 4271 1 187 . 1 1 28 28 LYS N N 15 122.990 0.20 . 1 . . . . . . . . 4271 1 188 . 1 1 28 28 LYS H H 1 7.240 0.02 . 1 . . . . . . . . 4271 1 189 . 1 1 28 28 LYS CA C 13 58.350 0.10 . 1 . . . . . . . . 4271 1 190 . 1 1 28 28 LYS HA H 1 4.160 0.00 . 1 . . . . . . . . 4271 1 191 . 1 1 28 28 LYS CB C 13 34.250 0.10 . 1 . . . . . . . . 4271 1 192 . 1 1 28 28 LYS HB2 H 1 1.830 0.00 . 1 . . . . . . . . 4271 1 193 . 1 1 28 28 LYS HB3 H 1 1.830 0.00 . 1 . . . . . . . . 4271 1 194 . 1 1 28 28 LYS C C 13 177.540 0.10 . 1 . . . . . . . . 4271 1 195 . 1 1 29 29 LYS N N 15 119.710 0.20 . 1 . . . . . . . . 4271 1 196 . 1 1 29 29 LYS H H 1 7.590 0.02 . 1 . . . . . . . . 4271 1 197 . 1 1 29 29 LYS CA C 13 55.630 0.10 . 1 . . . . . . . . 4271 1 198 . 1 1 29 29 LYS HA H 1 4.350 0.00 . 1 . . . . . . . . 4271 1 199 . 1 1 29 29 LYS CB C 13 34.500 0.10 . 1 . . . . . . . . 4271 1 200 . 1 1 29 29 LYS HB2 H 1 1.720 0.00 . 1 . . . . . . . . 4271 1 201 . 1 1 29 29 LYS HB3 H 1 1.720 0.00 . 1 . . . . . . . . 4271 1 202 . 1 1 29 29 LYS C C 13 176.040 0.10 . 1 . . . . . . . . 4271 1 203 . 1 1 30 30 ARG N N 15 120.370 0.20 . 1 . . . . . . . . 4271 1 204 . 1 1 30 30 ARG H H 1 8.250 0.02 . 1 . . . . . . . . 4271 1 205 . 1 1 30 30 ARG CA C 13 54.910 0.10 . 1 . . . . . . . . 4271 1 206 . 1 1 30 30 ARG HA H 1 4.540 0.00 . 1 . . . . . . . . 4271 1 207 . 1 1 30 30 ARG CB C 13 31.900 0.10 . 1 . . . . . . . . 4271 1 208 . 1 1 30 30 ARG HB2 H 1 1.900 0.00 . 1 . . . . . . . . 4271 1 209 . 1 1 30 30 ARG HB3 H 1 1.800 0.00 . 1 . . . . . . . . 4271 1 210 . 1 1 30 30 ARG C C 13 172.740 0.10 . 1 . . . . . . . . 4271 1 211 . 1 1 31 31 ALA N N 15 124.520 0.20 . 1 . . . . . . . . 4271 1 212 . 1 1 31 31 ALA H H 1 8.020 0.02 . 1 . . . . . . . . 4271 1 213 . 1 1 31 31 ALA CA C 13 51.590 0.10 . 1 . . . . . . . . 4271 1 214 . 1 1 31 31 ALA HA H 1 4.430 0.00 . 1 . . . . . . . . 4271 1 215 . 1 1 31 31 ALA HB1 H 1 1.330 0.00 . 1 . . . . . . . . 4271 1 216 . 1 1 31 31 ALA HB2 H 1 1.330 0.00 . 1 . . . . . . . . 4271 1 217 . 1 1 31 31 ALA HB3 H 1 1.330 0.00 . 1 . . . . . . . . 4271 1 218 . 1 1 31 31 ALA CB C 13 18.860 0.10 . 1 . . . . . . . . 4271 1 219 . 1 1 31 31 ALA C C 13 177.990 0.10 . 1 . . . . . . . . 4271 1 220 . 1 1 32 32 ILE N N 15 127.140 0.20 . 1 . . . . . . . . 4271 1 221 . 1 1 32 32 ILE H H 1 8.590 0.02 . 1 . . . . . . . . 4271 1 222 . 1 1 32 32 ILE CA C 13 61.440 0.10 . 1 . . . . . . . . 4271 1 223 . 1 1 32 32 ILE HA H 1 4.100 0.00 . 1 . . . . . . . . 4271 1 224 . 1 1 32 32 ILE CB C 13 37.970 0.10 . 1 . . . . . . . . 4271 1 225 . 1 1 32 32 ILE HB H 1 1.860 0.00 . 1 . . . . . . . . 4271 1 226 . 1 1 32 32 ILE C C 13 176.190 0.10 . 1 . . . . . . . . 4271 1 227 . 1 1 33 33 LYS N N 15 133.470 0.20 . 1 . . . . . . . . 4271 1 228 . 1 1 33 33 LYS H H 1 9.480 0.02 . 1 . . . . . . . . 4271 1 229 . 1 1 33 33 LYS CA C 13 57.160 0.10 . 1 . . . . . . . . 4271 1 230 . 1 1 33 33 LYS HA H 1 4.480 0.00 . 1 . . . . . . . . 4271 1 231 . 1 1 33 33 LYS CB C 13 33.540 0.10 . 1 . . . . . . . . 4271 1 232 . 1 1 33 33 LYS HB2 H 1 1.910 0.00 . 1 . . . . . . . . 4271 1 233 . 1 1 33 33 LYS HB3 H 1 1.910 0.00 . 1 . . . . . . . . 4271 1 234 . 1 1 33 33 LYS C C 13 179.570 0.10 . 1 . . . . . . . . 4271 1 235 . 1 1 34 34 ASN N N 15 123.210 0.20 . 1 . . . . . . . . 4271 1 236 . 1 1 34 34 ASN H H 1 8.810 0.02 . 1 . . . . . . . . 4271 1 237 . 1 1 34 34 ASN CA C 13 51.610 0.10 . 1 . . . . . . . . 4271 1 238 . 1 1 34 34 ASN HA H 1 4.990 0.00 . 1 . . . . . . . . 4271 1 239 . 1 1 34 34 ASN CB C 13 38.630 0.10 . 1 . . . . . . . . 4271 1 240 . 1 1 34 34 ASN HB2 H 1 3.070 0.00 . 1 . . . . . . . . 4271 1 241 . 1 1 34 34 ASN HB3 H 1 2.660 0.00 . 1 . . . . . . . . 4271 1 242 . 1 1 34 34 ASN C C 13 174.840 0.10 . 1 . . . . . . . . 4271 1 243 . 1 1 35 35 GLU N N 15 128.230 0.20 . 1 . . . . . . . . 4271 1 244 . 1 1 35 35 GLU H H 1 8.940 0.02 . 1 . . . . . . . . 4271 1 245 . 1 1 35 35 GLU HA H 1 4.190 0.00 . 1 . . . . . . . . 4271 1 246 . 1 1 35 35 GLU HB2 H 1 1.650 0.00 . 1 . . . . . . . . 4271 1 247 . 1 1 35 35 GLU HB3 H 1 1.840 0.00 . 1 . . . . . . . . 4271 1 248 . 1 1 35 35 GLU CA C 13 59.740 0.10 . 1 . . . . . . . . 4271 1 249 . 1 1 35 35 GLU CB C 13 29.150 0.10 . 1 . . . . . . . . 4271 1 250 . 1 1 35 35 GLU C C 13 177.540 0.10 . 1 . . . . . . . . 4271 1 251 . 1 1 36 36 GLN N N 15 121.680 0.20 . 1 . . . . . . . . 4271 1 252 . 1 1 36 36 GLN H H 1 8.440 0.02 . 1 . . . . . . . . 4271 1 253 . 1 1 36 36 GLN CA C 13 59.530 0.10 . 1 . . . . . . . . 4271 1 254 . 1 1 36 36 GLN CB C 13 28.300 0.10 . 1 . . . . . . . . 4271 1 255 . 1 1 36 36 GLN HA H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 256 . 1 1 36 36 GLN HB2 H 1 2.190 0.00 . 1 . . . . . . . . 4271 1 257 . 1 1 36 36 GLN HB3 H 1 2.190 0.00 . 1 . . . . . . . . 4271 1 258 . 1 1 36 36 GLN C C 13 178.820 0.10 . 1 . . . . . . . . 4271 1 259 . 1 1 37 37 LEU N N 15 123.420 0.20 . 1 . . . . . . . . 4271 1 260 . 1 1 37 37 LEU H H 1 7.580 0.02 . 1 . . . . . . . . 4271 1 261 . 1 1 37 37 LEU CA C 13 57.890 0.10 . 1 . . . . . . . . 4271 1 262 . 1 1 37 37 LEU HA H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 263 . 1 1 37 37 LEU CB C 13 41.800 0.10 . 1 . . . . . . . . 4271 1 264 . 1 1 37 37 LEU HB2 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 265 . 1 1 37 37 LEU HB3 H 1 1.630 0.00 . 1 . . . . . . . . 4271 1 266 . 1 1 37 37 LEU C C 13 177.990 0.10 . 1 . . . . . . . . 4271 1 267 . 1 1 38 38 LEU N N 15 122.330 0.20 . 1 . . . . . . . . 4271 1 268 . 1 1 38 38 LEU H H 1 7.280 0.02 . 1 . . . . . . . . 4271 1 269 . 1 1 38 38 LEU CA C 13 58.370 0.10 . 1 . . . . . . . . 4271 1 270 . 1 1 38 38 LEU HA H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 271 . 1 1 38 38 LEU CB C 13 41.360 0.10 . 1 . . . . . . . . 4271 1 272 . 1 1 38 38 LEU HB2 H 1 2.550 0.00 . 1 . . . . . . . . 4271 1 273 . 1 1 38 38 LEU HB3 H 1 1.440 0.00 . 1 . . . . . . . . 4271 1 274 . 1 1 38 38 LEU C C 13 178.440 0.10 . 1 . . . . . . . . 4271 1 275 . 1 1 39 39 GLN N N 15 121.460 0.20 . 1 . . . . . . . . 4271 1 276 . 1 1 39 39 GLN H H 1 8.670 0.02 . 1 . . . . . . . . 4271 1 277 . 1 1 39 39 GLN CA C 13 60.030 0.10 . 1 . . . . . . . . 4271 1 278 . 1 1 39 39 GLN HA H 1 4.000 0.00 . 1 . . . . . . . . 4271 1 279 . 1 1 39 39 GLN CB C 13 28.480 0.10 . 1 . . . . . . . . 4271 1 280 . 1 1 39 39 GLN HB2 H 1 2.270 0.00 . 1 . . . . . . . . 4271 1 281 . 1 1 39 39 GLN HB3 H 1 2.050 0.00 . 1 . . . . . . . . 4271 1 282 . 1 1 39 39 GLN C C 13 178.220 0.10 . 1 . . . . . . . . 4271 1 283 . 1 1 40 40 LEU N N 15 123.300 0.20 . 1 . . . . . . . . 4271 1 284 . 1 1 40 40 LEU H H 1 8.050 0.02 . 1 . . . . . . . . 4271 1 285 . 1 1 40 40 LEU CA C 13 58.140 0.10 . 1 . . . . . . . . 4271 1 286 . 1 1 40 40 LEU HA H 1 4.010 0.00 . 1 . . . . . . . . 4271 1 287 . 1 1 40 40 LEU CB C 13 42.600 0.10 . 1 . . . . . . . . 4271 1 288 . 1 1 40 40 LEU HB2 H 1 1.500 0.00 . 1 . . . . . . . . 4271 1 289 . 1 1 40 40 LEU HB3 H 1 1.200 0.00 . 1 . . . . . . . . 4271 1 290 . 1 1 40 40 LEU C C 13 179.570 0.10 . 1 . . . . . . . . 4271 1 291 . 1 1 41 41 ILE N N 15 124.300 0.20 . 1 . . . . . . . . 4271 1 292 . 1 1 41 41 ILE H H 1 8.280 0.02 . 1 . . . . . . . . 4271 1 293 . 1 1 41 41 ILE CA C 13 66.360 0.10 . 1 . . . . . . . . 4271 1 294 . 1 1 41 41 ILE HA H 1 4.030 0.00 . 1 . . . . . . . . 4271 1 295 . 1 1 41 41 ILE CB C 13 38.620 0.10 . 1 . . . . . . . . 4271 1 296 . 1 1 41 41 ILE HB H 1 1.620 0.00 . 1 . . . . . . . . 4271 1 297 . 1 1 41 41 ILE C C 13 177.090 0.10 . 1 . . . . . . . . 4271 1 298 . 1 1 42 42 PHE N N 15 123.420 0.20 . 1 . . . . . . . . 4271 1 299 . 1 1 42 42 PHE H H 1 8.830 0.02 . 1 . . . . . . . . 4271 1 300 . 1 1 42 42 PHE CA C 13 63.340 0.10 . 1 . . . . . . . . 4271 1 301 . 1 1 42 42 PHE HA H 1 4.950 0.00 . 1 . . . . . . . . 4271 1 302 . 1 1 42 42 PHE CB C 13 40.550 0.10 . 1 . . . . . . . . 4271 1 303 . 1 1 42 42 PHE HB2 H 1 3.740 0.00 . 1 . . . . . . . . 4271 1 304 . 1 1 42 42 PHE HB3 H 1 3.600 0.00 . 1 . . . . . . . . 4271 1 305 . 1 1 42 42 PHE C C 13 176.640 0.10 . 1 . . . . . . . . 4271 1 306 . 1 1 43 43 LYS N N 15 118.920 0.20 . 1 . . . . . . . . 4271 1 307 . 1 1 43 43 LYS H H 1 8.620 0.02 . 1 . . . . . . . . 4271 1 308 . 1 1 43 43 LYS CA C 13 59.300 0.10 . 1 . . . . . . . . 4271 1 309 . 1 1 43 43 LYS HA H 1 4.130 0.00 . 1 . . . . . . . . 4271 1 310 . 1 1 43 43 LYS CB C 13 32.860 0.10 . 1 . . . . . . . . 4271 1 311 . 1 1 43 43 LYS HB2 H 1 2.202 0.00 . 1 . . . . . . . . 4271 1 312 . 1 1 43 43 LYS HB3 H 1 2.350 0.00 . 1 . . . . . . . . 4271 1 313 . 1 1 43 43 LYS C C 13 178.140 0.10 . 1 . . . . . . . . 4271 1 314 . 1 1 44 44 SER N N 15 116.220 0.20 . 1 . . . . . . . . 4271 1 315 . 1 1 44 44 SER H H 1 7.660 0.02 . 1 . . . . . . . . 4271 1 316 . 1 1 44 44 SER CA C 13 63.030 0.10 . 1 . . . . . . . . 4271 1 317 . 1 1 44 44 SER HA H 1 4.210 0.00 . 1 . . . . . . . . 4271 1 318 . 1 1 44 44 SER CB C 13 63.870 0.10 . 1 . . . . . . . . 4271 1 319 . 1 1 44 44 SER HB2 H 1 3.980 0.00 . 1 . . . . . . . . 4271 1 320 . 1 1 44 44 SER HB3 H 1 3.980 0.00 . 1 . . . . . . . . 4271 1 321 . 1 1 44 44 SER C C 13 174.990 0.10 . 1 . . . . . . . . 4271 1 322 . 1 1 45 45 ILE N N 15 124.300 0.20 . 1 . . . . . . . . 4271 1 323 . 1 1 45 45 ILE H H 1 7.490 0.02 . 1 . . . . . . . . 4271 1 324 . 1 1 45 45 ILE CA C 13 62.990 0.10 . 1 . . . . . . . . 4271 1 325 . 1 1 45 45 ILE HA H 1 3.630 0.00 . 1 . . . . . . . . 4271 1 326 . 1 1 45 45 ILE CB C 13 38.000 0.10 . 1 . . . . . . . . 4271 1 327 . 1 1 45 45 ILE HB H 1 1.390 0.00 . 1 . . . . . . . . 4271 1 328 . 1 1 45 45 ILE C C 13 177.240 0.10 . 1 . . . . . . . . 4271 1 329 . 1 1 46 46 ASP N N 15 121.660 0.20 . 1 . . . . . . . . 4271 1 330 . 1 1 46 46 ASP H H 1 7.450 0.02 . 1 . . . . . . . . 4271 1 331 . 1 1 46 46 ASP CA C 13 52.820 0.10 . 1 . . . . . . . . 4271 1 332 . 1 1 46 46 ASP HA H 1 4.430 0.00 . 1 . . . . . . . . 4271 1 333 . 1 1 46 46 ASP CB C 13 38.760 0.10 . 1 . . . . . . . . 4271 1 334 . 1 1 46 46 ASP HB2 H 1 2.680 0.00 . 1 . . . . . . . . 4271 1 335 . 1 1 46 46 ASP HB3 H 1 2.200 0.00 . 1 . . . . . . . . 4271 1 336 . 1 1 46 46 ASP C C 13 176.190 0.10 . 1 . . . . . . . . 4271 1 337 . 1 1 47 47 ALA N N 15 133.470 0.20 . 1 . . . . . . . . 4271 1 338 . 1 1 47 47 ALA H H 1 7.850 0.02 . 1 . . . . . . . . 4271 1 339 . 1 1 47 47 ALA CA C 13 55.070 0.10 . 1 . . . . . . . . 4271 1 340 . 1 1 47 47 ALA HA H 1 4.090 0.00 . 1 . . . . . . . . 4271 1 341 . 1 1 47 47 ALA HB1 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 342 . 1 1 47 47 ALA HB2 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 343 . 1 1 47 47 ALA HB3 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 344 . 1 1 47 47 ALA CB C 13 19.690 0.10 . 1 . . . . . . . . 4271 1 345 . 1 1 47 47 ALA C C 13 179.120 0.10 . 1 . . . . . . . . 4271 1 346 . 1 1 48 48 ASP N N 15 116.440 0.20 . 1 . . . . . . . . 4271 1 347 . 1 1 48 48 ASP H H 1 8.200 0.02 . 1 . . . . . . . . 4271 1 348 . 1 1 48 48 ASP CA C 13 53.040 0.10 . 1 . . . . . . . . 4271 1 349 . 1 1 48 48 ASP HA H 1 4.700 0.00 . 1 . . . . . . . . 4271 1 350 . 1 1 48 48 ASP CB C 13 39.860 0.10 . 1 . . . . . . . . 4271 1 351 . 1 1 48 48 ASP HB2 H 1 3.160 0.00 . 1 . . . . . . . . 4271 1 352 . 1 1 48 48 ASP HB3 H 1 2.770 0.00 . 1 . . . . . . . . 4271 1 353 . 1 1 48 48 ASP C C 13 177.990 0.10 . 1 . . . . . . . . 4271 1 354 . 1 1 49 49 GLY N N 15 111.600 0.20 . 1 . . . . . . . . 4271 1 355 . 1 1 49 49 GLY H H 1 7.840 0.02 . 1 . . . . . . . . 4271 1 356 . 1 1 49 49 GLY CA C 13 47.220 0.10 . 1 . . . . . . . . 4271 1 357 . 1 1 49 49 GLY HA3 H 1 3.870 0.00 . 2 . . . . . . . . 4271 1 358 . 1 1 49 49 GLY C C 13 175.140 0.10 . 1 . . . . . . . . 4271 1 359 . 1 1 50 50 ASN N N 15 121.900 0.20 . 1 . . . . . . . . 4271 1 360 . 1 1 50 50 ASN H H 1 8.300 0.02 . 1 . . . . . . . . 4271 1 361 . 1 1 50 50 ASN CA C 13 52.860 0.10 . 1 . . . . . . . . 4271 1 362 . 1 1 50 50 ASN HA H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 363 . 1 1 50 50 ASN CB C 13 37.800 0.10 . 1 . . . . . . . . 4271 1 364 . 1 1 50 50 ASN HB2 H 1 3.380 0.00 . 1 . . . . . . . . 4271 1 365 . 1 1 50 50 ASN HB3 H 1 2.740 0.00 . 1 . . . . . . . . 4271 1 366 . 1 1 50 50 ASN C C 13 173.040 0.10 . 1 . . . . . . . . 4271 1 367 . 1 1 51 51 GLY N N 15 117.090 0.20 . 1 . . . . . . . . 4271 1 368 . 1 1 51 51 GLY H H 1 10.780 0.02 . 1 . . . . . . . . 4271 1 369 . 1 1 51 51 GLY CA C 13 45.740 0.10 . 1 . . . . . . . . 4271 1 370 . 1 1 51 51 GLY HA2 H 1 4.430 0.00 . 2 . . . . . . . . 4271 1 371 . 1 1 51 51 GLY HA3 H 1 3.750 0.00 . 2 . . . . . . . . 4271 1 372 . 1 1 51 51 GLY C C 13 174.390 0.10 . 1 . . . . . . . . 4271 1 373 . 1 1 52 52 GLU N N 15 119.710 0.20 . 1 . . . . . . . . 4271 1 374 . 1 1 52 52 GLU H H 1 7.720 0.02 . 1 . . . . . . . . 4271 1 375 . 1 1 52 52 GLU CA C 13 53.810 0.10 . 1 . . . . . . . . 4271 1 376 . 1 1 52 52 GLU HA H 1 5.090 0.00 . 1 . . . . . . . . 4271 1 377 . 1 1 52 52 GLU CB C 13 33.410 0.10 . 1 . . . . . . . . 4271 1 378 . 1 1 52 52 GLU HB2 H 1 1.830 0.00 . 1 . . . . . . . . 4271 1 379 . 1 1 52 52 GLU HB3 H 1 1.830 0.00 . 1 . . . . . . . . 4271 1 380 . 1 1 52 52 GLU C C 13 174.390 0.10 . 1 . . . . . . . . 4271 1 381 . 1 1 53 53 ILE N N 15 130.630 0.20 . 1 . . . . . . . . 4271 1 382 . 1 1 53 53 ILE H H 1 9.790 0.02 . 1 . . . . . . . . 4271 1 383 . 1 1 53 53 ILE CA C 13 60.130 0.10 . 1 . . . . . . . . 4271 1 384 . 1 1 53 53 ILE HA H 1 4.980 0.00 . 1 . . . . . . . . 4271 1 385 . 1 1 53 53 ILE CB C 13 38.480 0.10 . 1 . . . . . . . . 4271 1 386 . 1 1 53 53 ILE HB H 1 2.050 0.00 . 1 . . . . . . . . 4271 1 387 . 1 1 53 53 ILE C C 13 175.810 0.10 . 1 . . . . . . . . 4271 1 388 . 1 1 54 54 ASP N N 15 132.160 0.20 . 1 . . . . . . . . 4271 1 389 . 1 1 54 54 ASP H H 1 8.980 0.02 . 1 . . . . . . . . 4271 1 390 . 1 1 54 54 ASP CA C 13 52.510 0.10 . 1 . . . . . . . . 4271 1 391 . 1 1 54 54 ASP HA H 1 5.280 0.00 . 1 . . . . . . . . 4271 1 392 . 1 1 54 54 ASP CB C 13 42.200 0.10 . 1 . . . . . . . . 4271 1 393 . 1 1 54 54 ASP HB2 H 1 3.450 0.00 . 1 . . . . . . . . 4271 1 394 . 1 1 54 54 ASP HB3 H 1 2.770 0.00 . 1 . . . . . . . . 4271 1 395 . 1 1 54 54 ASP C C 13 176.570 0.10 . 1 . . . . . . . . 4271 1 396 . 1 1 55 55 GLN N N 15 119.270 0.20 . 1 . . . . . . . . 4271 1 397 . 1 1 55 55 GLN H H 1 8.660 0.02 . 1 . . . . . . . . 4271 1 398 . 1 1 55 55 GLN CA C 13 59.970 0.10 . 1 . . . . . . . . 4271 1 399 . 1 1 55 55 GLN HA H 1 3.290 0.00 . 1 . . . . . . . . 4271 1 400 . 1 1 55 55 GLN CB C 13 28.600 0.10 . 1 . . . . . . . . 4271 1 401 . 1 1 55 55 GLN HB2 H 1 1.720 0.00 . 1 . . . . . . . . 4271 1 402 . 1 1 55 55 GLN HB3 H 1 1.550 0.00 . 1 . . . . . . . . 4271 1 403 . 1 1 55 55 GLN C C 13 178.590 0.10 . 1 . . . . . . . . 4271 1 404 . 1 1 56 56 ASN N N 15 123.500 0.20 . 1 . . . . . . . . 4271 1 405 . 1 1 56 56 ASN H H 1 8.400 0.02 . 1 . . . . . . . . 4271 1 406 . 1 1 56 56 ASN CA C 13 56.340 0.10 . 1 . . . . . . . . 4271 1 407 . 1 1 56 56 ASN HA H 1 4.600 0.00 . 1 . . . . . . . . 4271 1 408 . 1 1 56 56 ASN CB C 13 38.620 0.10 . 1 . . . . . . . . 4271 1 409 . 1 1 56 56 ASN HB2 H 1 3.100 0.00 . 1 . . . . . . . . 4271 1 410 . 1 1 56 56 ASN HB3 H 1 2.900 0.00 . 1 . . . . . . . . 4271 1 411 . 1 1 56 56 ASN C C 13 178.222 0.10 . 1 . . . . . . . . 4271 1 412 . 1 1 57 57 GLU N N 15 126.700 0.20 . 1 . . . . . . . . 4271 1 413 . 1 1 57 57 GLU H H 1 9.130 0.02 . 1 . . . . . . . . 4271 1 414 . 1 1 57 57 GLU CA C 13 59.190 0.10 . 1 . . . . . . . . 4271 1 415 . 1 1 57 57 GLU HA H 1 4.050 0.00 . 1 . . . . . . . . 4271 1 416 . 1 1 57 57 GLU CB C 13 30.110 0.10 . 1 . . . . . . . . 4271 1 417 . 1 1 57 57 GLU HB2 H 1 2.470 0.00 . 1 . . . . . . . . 4271 1 418 . 1 1 57 57 GLU HB3 H 1 2.470 0.00 . 1 . . . . . . . . 4271 1 419 . 1 1 57 57 GLU C C 13 180.170 0.10 . 1 . . . . . . . . 4271 1 420 . 1 1 58 58 PHE N N 15 122.110 0.20 . 1 . . . . . . . . 4271 1 421 . 1 1 58 58 PHE H H 1 8.920 0.02 . 1 . . . . . . . . 4271 1 422 . 1 1 58 58 PHE CA C 13 62.180 0.10 . 1 . . . . . . . . 4271 1 423 . 1 1 58 58 PHE HA H 1 4.080 0.00 . 1 . . . . . . . . 4271 1 424 . 1 1 58 58 PHE CB C 13 40.130 0.10 . 1 . . . . . . . . 4271 1 425 . 1 1 58 58 PHE HB2 H 1 3.210 0.00 . 1 . . . . . . . . 4271 1 426 . 1 1 58 58 PHE HB3 H 1 3.210 0.00 . 1 . . . . . . . . 4271 1 427 . 1 1 58 58 PHE C C 13 176.570 0.10 . 1 . . . . . . . . 4271 1 428 . 1 1 59 59 ALA N N 15 124.300 0.20 . 1 . . . . . . . . 4271 1 429 . 1 1 59 59 ALA H H 1 8.230 0.02 . 1 . . . . . . . . 4271 1 430 . 1 1 59 59 ALA CA C 13 55.370 0.10 . 1 . . . . . . . . 4271 1 431 . 1 1 59 59 ALA HA H 1 4.070 0.00 . 1 . . . . . . . . 4271 1 432 . 1 1 59 59 ALA HB1 H 1 1.660 0.00 . 1 . . . . . . . . 4271 1 433 . 1 1 59 59 ALA HB2 H 1 1.660 0.00 . 1 . . . . . . . . 4271 1 434 . 1 1 59 59 ALA HB3 H 1 1.660 0.00 . 1 . . . . . . . . 4271 1 435 . 1 1 59 59 ALA CB C 13 18.730 0.10 . 1 . . . . . . . . 4271 1 436 . 1 1 59 59 ALA C C 13 180.390 0.10 . 1 . . . . . . . . 4271 1 437 . 1 1 60 60 LYS N N 15 120.370 0.20 . 1 . . . . . . . . 4271 1 438 . 1 1 60 60 LYS H H 1 7.920 0.02 . 1 . . . . . . . . 4271 1 439 . 1 1 60 60 LYS CA C 13 58.760 0.10 . 1 . . . . . . . . 4271 1 440 . 1 1 60 60 LYS HA H 1 4.100 0.00 . 1 . . . . . . . . 4271 1 441 . 1 1 60 60 LYS CB C 13 32.750 0.10 . 1 . . . . . . . . 4271 1 442 . 1 1 60 60 LYS HB2 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 443 . 1 1 60 60 LYS HB3 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 444 . 1 1 60 60 LYS C C 13 178.070 0.10 . 1 . . . . . . . . 4271 1 445 . 1 1 61 61 PHE N N 15 121.680 0.20 . 1 . . . . . . . . 4271 1 446 . 1 1 61 61 PHE H H 1 7.380 0.02 . 1 . . . . . . . . 4271 1 447 . 1 1 61 61 PHE CA C 13 59.250 0.10 . 1 . . . . . . . . 4271 1 448 . 1 1 61 61 PHE CB C 13 40.520 0.10 . 1 . . . . . . . . 4271 1 449 . 1 1 61 61 PHE HA H 1 4.600 0.00 . 1 . . . . . . . . 4271 1 450 . 1 1 61 61 PHE HB2 H 1 3.210 0.00 . 1 . . . . . . . . 4271 1 451 . 1 1 61 61 PHE HB3 H 1 2.960 0.00 . 1 . . . . . . . . 4271 1 452 . 1 1 61 61 PHE C C 13 176.490 0.10 . 1 . . . . . . . . 4271 1 453 . 1 1 62 62 TYR N N 15 124.300 0.20 . 1 . . . . . . . . 4271 1 454 . 1 1 62 62 TYR H H 1 8.420 0.02 . 1 . . . . . . . . 4271 1 455 . 1 1 62 62 TYR HA H 1 4.590 0.00 . 1 . . . . . . . . 4271 1 456 . 1 1 62 62 TYR HB2 H 1 3.030 0.00 . 1 . . . . . . . . 4271 1 457 . 1 1 62 62 TYR HB3 H 1 2.910 0.00 . 1 . . . . . . . . 4271 1 458 . 1 1 62 62 TYR CA C 13 61.070 0.10 . 1 . . . . . . . . 4271 1 459 . 1 1 62 62 TYR CB C 13 38.360 0.10 . 1 . . . . . . . . 4271 1 460 . 1 1 62 62 TYR C C 13 176.790 0.10 . 1 . . . . . . . . 4271 1 461 . 1 1 63 63 GLY N N 15 135.660 0.20 . 1 . . . . . . . . 4271 1 462 . 1 1 63 63 GLY H H 1 8.340 0.02 . 1 . . . . . . . . 4271 1 463 . 1 1 63 63 GLY CA C 13 46.800 0.10 . 1 . . . . . . . . 4271 1 464 . 1 1 63 63 GLY HA2 H 1 3.850 0.00 . 2 . . . . . . . . 4271 1 465 . 1 1 63 63 GLY HA3 H 1 3.720 0.00 . 2 . . . . . . . . 4271 1 466 . 1 1 63 63 GLY C C 13 175.660 0.10 . 1 . . . . . . . . 4271 1 467 . 1 1 64 64 SER N N 15 118.400 0.20 . 1 . . . . . . . . 4271 1 468 . 1 1 64 64 SER H H 1 7.910 0.02 . 1 . . . . . . . . 4271 1 469 . 1 1 64 64 SER CA C 13 60.800 0.10 . 1 . . . . . . . . 4271 1 470 . 1 1 64 64 SER HA H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 471 . 1 1 64 64 SER CB C 13 63.750 0.10 . 1 . . . . . . . . 4271 1 472 . 1 1 64 64 SER HB2 H 1 4.290 0.00 . 1 . . . . . . . . 4271 1 473 . 1 1 64 64 SER HB3 H 1 3.740 0.00 . 1 . . . . . . . . 4271 1 474 . 1 1 64 64 SER C C 13 173.943 0.10 . 1 . . . . . . . . 4271 1 475 . 1 1 65 65 ILE N N 15 116.870 0.20 . 1 . . . . . . . . 4271 1 476 . 1 1 65 65 ILE H H 1 7.080 0.02 . 1 . . . . . . . . 4271 1 477 . 1 1 65 65 ILE CA C 13 60.320 0.10 . 1 . . . . . . . . 4271 1 478 . 1 1 65 65 ILE HA H 1 4.370 0.00 . 1 . . . . . . . . 4271 1 479 . 1 1 65 65 ILE CB C 13 40.000 0.10 . 1 . . . . . . . . 4271 1 480 . 1 1 65 65 ILE HB H 1 1.770 0.00 . 1 . . . . . . . . 4271 1 481 . 1 1 65 65 ILE C C 13 175.740 0.10 . 1 . . . . . . . . 4271 1 482 . 1 1 66 66 GLN N N 15 126.700 0.20 . 1 . . . . . . . . 4271 1 483 . 1 1 66 66 GLN H H 1 7.360 0.02 . 1 . . . . . . . . 4271 1 484 . 1 1 66 66 GLN CA C 13 57.580 0.10 . 1 . . . . . . . . 4271 1 485 . 1 1 66 66 GLN HA H 1 3.790 0.00 . 1 . . . . . . . . 4271 1 486 . 1 1 66 66 GLN CB C 13 28.200 0.10 . 1 . . . . . . . . 4271 1 487 . 1 1 66 66 GLN HB2 H 1 2.270 0.00 . 1 . . . . . . . . 4271 1 488 . 1 1 66 66 GLN HB3 H 1 2.270 0.00 . 1 . . . . . . . . 4271 1 489 . 1 1 66 66 GLN C C 13 176.790 0.10 . 1 . . . . . . . . 4271 1 490 . 1 1 67 67 GLY N N 15 116.970 0.20 . 1 . . . . . . . . 4271 1 491 . 1 1 67 67 GLY H H 1 8.880 0.02 . 1 . . . . . . . . 4271 1 492 . 1 1 67 67 GLY CA C 13 45.620 0.10 . 1 . . . . . . . . 4271 1 493 . 1 1 67 67 GLY HA2 H 1 4.400 0.00 . 2 . . . . . . . . 4271 1 494 . 1 1 67 67 GLY HA3 H 1 4.000 0.00 . 2 . . . . . . . . 4271 1 495 . 1 1 67 67 GLY C C 13 174.310 0.10 . 1 . . . . . . . . 4271 1 496 . 1 1 68 68 GLN N N 15 121.690 0.20 . 1 . . . . . . . . 4271 1 497 . 1 1 68 68 GLN H H 1 7.710 0.02 . 1 . . . . . . . . 4271 1 498 . 1 1 68 68 GLN HA H 1 4.400 0.00 . 1 . . . . . . . . 4271 1 499 . 1 1 68 68 GLN HB2 H 1 1.860 0.00 . 1 . . . . . . . . 4271 1 500 . 1 1 68 68 GLN HB3 H 1 1.860 0.00 . 1 . . . . . . . . 4271 1 501 . 1 1 68 68 GLN CA C 13 54.690 0.10 . 1 . . . . . . . . 4271 1 502 . 1 1 68 68 GLN CB C 13 29.430 0.10 . 1 . . . . . . . . 4271 1 503 . 1 1 68 68 GLN C C 13 174.910 0.10 . 1 . . . . . . . . 4271 1 504 . 1 1 69 69 ASP N N 15 125.830 0.20 . 1 . . . . . . . . 4271 1 505 . 1 1 69 69 ASP H H 1 8.060 0.02 . 1 . . . . . . . . 4271 1 506 . 1 1 69 69 ASP CA C 13 53.430 0.10 . 1 . . . . . . . . 4271 1 507 . 1 1 69 69 ASP HA H 1 4.730 0.00 . 1 . . . . . . . . 4271 1 508 . 1 1 69 69 ASP CB C 13 42.460 0.10 . 1 . . . . . . . . 4271 1 509 . 1 1 69 69 ASP HB2 H 1 2.930 0.00 . 1 . . . . . . . . 4271 1 510 . 1 1 69 69 ASP HB3 H 1 2.710 0.00 . 1 . . . . . . . . 4271 1 511 . 1 1 69 69 ASP C C 13 176.940 0.10 . 1 . . . . . . . . 4271 1 512 . 1 1 70 70 LEU N N 15 128.890 0.20 . 1 . . . . . . . . 4271 1 513 . 1 1 70 70 LEU H H 1 8.800 0.02 . 1 . . . . . . . . 4271 1 514 . 1 1 70 70 LEU CA C 13 57.010 0.10 . 1 . . . . . . . . 4271 1 515 . 1 1 70 70 LEU HA H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 516 . 1 1 70 70 LEU CB C 13 41.650 0.10 . 1 . . . . . . . . 4271 1 517 . 1 1 70 70 LEU HB2 H 1 1.830 0.00 . 1 . . . . . . . . 4271 1 518 . 1 1 70 70 LEU HB3 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 519 . 1 1 70 70 LEU C C 13 176.270 0.10 . 1 . . . . . . . . 4271 1 520 . 1 1 71 71 SER N N 15 116.870 0.20 . 1 . . . . . . . . 4271 1 521 . 1 1 71 71 SER H H 1 8.740 0.02 . 1 . . . . . . . . 4271 1 522 . 1 1 71 71 SER CA C 13 59.460 0.10 . 1 . . . . . . . . 4271 1 523 . 1 1 71 71 SER HA H 1 4.350 0.00 . 1 . . . . . . . . 4271 1 524 . 1 1 71 71 SER CB C 13 64.000 0.10 . 1 . . . . . . . . 4271 1 525 . 1 1 71 71 SER HB2 H 1 4.020 0.00 . 1 . . . . . . . . 4271 1 526 . 1 1 71 71 SER HB3 H 1 4.020 0.00 . 1 . . . . . . . . 4271 1 527 . 1 1 71 71 SER C C 13 174.390 0.10 . 1 . . . . . . . . 4271 1 528 . 1 1 72 72 ASP N N 15 127.360 0.20 . 1 . . . . . . . . 4271 1 529 . 1 1 72 72 ASP H H 1 7.470 0.02 . 1 . . . . . . . . 4271 1 530 . 1 1 72 72 ASP CA C 13 54.380 0.10 . 1 . . . . . . . . 4271 1 531 . 1 1 72 72 ASP HA H 1 4.500 0.00 . 1 . . . . . . . . 4271 1 532 . 1 1 72 72 ASP CB C 13 42.430 0.10 . 1 . . . . . . . . 4271 1 533 . 1 1 72 72 ASP HB2 H 1 3.020 0.00 . 1 . . . . . . . . 4271 1 534 . 1 1 72 72 ASP HB3 H 1 2.830 0.00 . 1 . . . . . . . . 4271 1 535 . 1 1 72 72 ASP C C 13 178.140 0.10 . 1 . . . . . . . . 4271 1 536 . 1 1 73 73 ASP N N 15 131.510 0.20 . 1 . . . . . . . . 4271 1 537 . 1 1 73 73 ASP H H 1 9.040 0.02 . 1 . . . . . . . . 4271 1 538 . 1 1 73 73 ASP CA C 13 57.570 0.10 . 1 . . . . . . . . 4271 1 539 . 1 1 73 73 ASP HA H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 540 . 1 1 73 73 ASP CB C 13 41.370 0.10 . 1 . . . . . . . . 4271 1 541 . 1 1 73 73 ASP HB2 H 1 2.800 0.00 . 1 . . . . . . . . 4271 1 542 . 1 1 73 73 ASP HB3 H 1 2.800 0.00 . 1 . . . . . . . . 4271 1 543 . 1 1 73 73 ASP C C 13 178.140 0.10 . 1 . . . . . . . . 4271 1 544 . 1 1 74 74 LYS N N 15 120.800 0.20 . 1 . . . . . . . . 4271 1 545 . 1 1 74 74 LYS H H 1 8.810 0.02 . 1 . . . . . . . . 4271 1 546 . 1 1 74 74 LYS HA H 1 4.720 0.00 . 1 . . . . . . . . 4271 1 547 . 1 1 74 74 LYS HB2 H 1 2.270 0.00 . 1 . . . . . . . . 4271 1 548 . 1 1 74 74 LYS HB3 H 1 1.860 0.00 . 1 . . . . . . . . 4271 1 549 . 1 1 74 74 LYS CA C 13 55.320 0.10 . 1 . . . . . . . . 4271 1 550 . 1 1 74 74 LYS CB C 13 32.310 0.10 . 1 . . . . . . . . 4271 1 551 . 1 1 74 74 LYS C C 13 177.170 0.10 . 1 . . . . . . . . 4271 1 552 . 1 1 75 75 ILE N N 15 122.330 0.20 . 1 . . . . . . . . 4271 1 553 . 1 1 75 75 ILE H H 1 7.710 0.02 . 1 . . . . . . . . 4271 1 554 . 1 1 75 75 ILE CA C 13 62.500 0.10 . 1 . . . . . . . . 4271 1 555 . 1 1 75 75 ILE HA H 1 4.090 0.00 . 1 . . . . . . . . 4271 1 556 . 1 1 75 75 ILE CB C 13 37.390 0.10 . 1 . . . . . . . . 4271 1 557 . 1 1 75 75 ILE HB H 1 2.080 0.00 . 1 . . . . . . . . 4271 1 558 . 1 1 75 75 ILE C C 13 175.590 0.10 . 1 . . . . . . . . 4271 1 559 . 1 1 76 76 GLY N N 15 112.290 0.20 . 1 . . . . . . . . 4271 1 560 . 1 1 76 76 GLY H H 1 8.780 0.02 . 1 . . . . . . . . 4271 1 561 . 1 1 76 76 GLY CA C 13 48.110 0.10 . 1 . . . . . . . . 4271 1 562 . 1 1 76 76 GLY HA3 H 1 3.710 0.00 . 2 . . . . . . . . 4271 1 563 . 1 1 76 76 GLY C C 13 174.760 0.10 . 1 . . . . . . . . 4271 1 564 . 1 1 77 77 LEU N N 15 123.420 0.20 . 1 . . . . . . . . 4271 1 565 . 1 1 77 77 LEU H H 1 7.530 0.02 . 1 . . . . . . . . 4271 1 566 . 1 1 77 77 LEU CA C 13 57.810 0.10 . 1 . . . . . . . . 4271 1 567 . 1 1 77 77 LEU HA H 1 4.380 0.00 . 1 . . . . . . . . 4271 1 568 . 1 1 77 77 LEU CB C 13 42.840 0.10 . 1 . . . . . . . . 4271 1 569 . 1 1 77 77 LEU HB2 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 570 . 1 1 77 77 LEU HB3 H 1 1.580 0.00 . 1 . . . . . . . . 4271 1 571 . 1 1 77 77 LEU C C 13 179.040 0.10 . 1 . . . . . . . . 4271 1 572 . 1 1 78 78 LYS N N 15 122.110 0.20 . 1 . . . . . . . . 4271 1 573 . 1 1 78 78 LYS H H 1 8.090 0.02 . 1 . . . . . . . . 4271 1 574 . 1 1 78 78 LYS CA C 13 60.860 0.10 . 1 . . . . . . . . 4271 1 575 . 1 1 78 78 LYS HA H 1 4.020 0.00 . 1 . . . . . . . . 4271 1 576 . 1 1 78 78 LYS CB C 13 33.130 0.10 . 1 . . . . . . . . 4271 1 577 . 1 1 78 78 LYS HB2 H 1 2.000 0.00 . 1 . . . . . . . . 4271 1 578 . 1 1 78 78 LYS HB3 H 1 2.000 0.00 . 1 . . . . . . . . 4271 1 579 . 1 1 78 78 LYS C C 13 179.340 0.10 . 1 . . . . . . . . 4271 1 580 . 1 1 79 79 VAL N N 15 121.900 0.20 . 1 . . . . . . . . 4271 1 581 . 1 1 79 79 VAL H H 1 8.560 0.02 . 1 . . . . . . . . 4271 1 582 . 1 1 79 79 VAL CA C 13 66.700 0.10 . 1 . . . . . . . . 4271 1 583 . 1 1 79 79 VAL HA H 1 3.680 0.00 . 1 . . . . . . . . 4271 1 584 . 1 1 79 79 VAL CB C 13 31.900 0.10 . 1 . . . . . . . . 4271 1 585 . 1 1 79 79 VAL HB H 1 2.270 0.00 . 1 . . . . . . . . 4271 1 586 . 1 1 79 79 VAL C C 13 175.210 0.10 . 1 . . . . . . . . 4271 1 587 . 1 1 80 80 LEU N N 15 122.500 0.20 . 1 . . . . . . . . 4271 1 588 . 1 1 80 80 LEU H H 1 8.310 0.02 . 1 . . . . . . . . 4271 1 589 . 1 1 80 80 LEU HA H 1 3.950 0.00 . 1 . . . . . . . . 4271 1 590 . 1 1 80 80 LEU HB2 H 1 2.080 0.00 . 1 . . . . . . . . 4271 1 591 . 1 1 80 80 LEU HB3 H 1 1.800 0.00 . 1 . . . . . . . . 4271 1 592 . 1 1 80 80 LEU CA C 13 59.500 0.10 . 1 . . . . . . . . 4271 1 593 . 1 1 80 80 LEU CB C 13 42.320 0.10 . 1 . . . . . . . . 4271 1 594 . 1 1 80 80 LEU C C 13 177.540 0.10 . 1 . . . . . . . . 4271 1 595 . 1 1 81 81 TYR N N 15 120.800 0.20 . 1 . . . . . . . . 4271 1 596 . 1 1 81 81 TYR H H 1 8.450 0.02 . 1 . . . . . . . . 4271 1 597 . 1 1 81 81 TYR CA C 13 62.920 0.10 . 1 . . . . . . . . 4271 1 598 . 1 1 81 81 TYR HA H 1 4.130 0.00 . 1 . . . . . . . . 4271 1 599 . 1 1 81 81 TYR CB C 13 38.630 0.10 . 1 . . . . . . . . 4271 1 600 . 1 1 81 81 TYR HB2 H 1 3.080 0.00 . 1 . . . . . . . . 4271 1 601 . 1 1 81 81 TYR HB3 H 1 3.080 0.00 . 1 . . . . . . . . 4271 1 602 . 1 1 81 81 TYR C C 13 176.940 0.10 . 1 . . . . . . . . 4271 1 603 . 1 1 82 82 LYS N N 15 118.400 0.20 . 1 . . . . . . . . 4271 1 604 . 1 1 82 82 LYS H H 1 7.390 0.02 . 1 . . . . . . . . 4271 1 605 . 1 1 82 82 LYS CA C 13 58.940 0.10 . 1 . . . . . . . . 4271 1 606 . 1 1 82 82 LYS HA H 1 4.040 0.00 . 1 . . . . . . . . 4271 1 607 . 1 1 82 82 LYS CB C 13 32.580 0.10 . 1 . . . . . . . . 4271 1 608 . 1 1 82 82 LYS HB2 H 1 2.100 0.00 . 1 . . . . . . . . 4271 1 609 . 1 1 82 82 LYS HB3 H 1 2.100 0.00 . 1 . . . . . . . . 4271 1 610 . 1 1 82 82 LYS C C 13 179.270 0.10 . 1 . . . . . . . . 4271 1 611 . 1 1 83 83 LEU N N 15 121.020 0.20 . 1 . . . . . . . . 4271 1 612 . 1 1 83 83 LEU H H 1 7.880 0.02 . 1 . . . . . . . . 4271 1 613 . 1 1 83 83 LEU CA C 13 57.060 0.10 . 1 . . . . . . . . 4271 1 614 . 1 1 83 83 LEU HA H 1 4.070 0.00 . 1 . . . . . . . . 4271 1 615 . 1 1 83 83 LEU CB C 13 41.920 0.10 . 1 . . . . . . . . 4271 1 616 . 1 1 83 83 LEU HB2 H 1 1.940 0.00 . 1 . . . . . . . . 4271 1 617 . 1 1 83 83 LEU HB3 H 1 1.440 0.00 . 1 . . . . . . . . 4271 1 618 . 1 1 83 83 LEU C C 13 178.222 0.10 . 1 . . . . . . . . 4271 1 619 . 1 1 84 84 MET N N 15 119.060 0.20 . 1 . . . . . . . . 4271 1 620 . 1 1 84 84 MET H H 1 7.340 0.02 . 1 . . . . . . . . 4271 1 621 . 1 1 84 84 MET CA C 13 57.890 0.10 . 1 . . . . . . . . 4271 1 622 . 1 1 84 84 MET HA H 1 3.710 0.00 . 1 . . . . . . . . 4271 1 623 . 1 1 84 84 MET CB C 13 35.600 0.10 . 1 . . . . . . . . 4271 1 624 . 1 1 84 84 MET HB2 H 1 1.330 0.00 . 1 . . . . . . . . 4271 1 625 . 1 1 84 84 MET HB3 H 1 0.560 0.00 . 1 . . . . . . . . 4271 1 626 . 1 1 84 84 MET C C 13 177.090 0.10 . 1 . . . . . . . . 4271 1 627 . 1 1 85 85 ASP N N 15 122.050 0.20 . 1 . . . . . . . . 4271 1 628 . 1 1 85 85 ASP H H 1 7.640 0.02 . 1 . . . . . . . . 4271 1 629 . 1 1 85 85 ASP CA C 13 52.980 0.10 . 1 . . . . . . . . 4271 1 630 . 1 1 85 85 ASP HA H 1 4.480 0.00 . 1 . . . . . . . . 4271 1 631 . 1 1 85 85 ASP CB C 13 38.480 0.10 . 1 . . . . . . . . 4271 1 632 . 1 1 85 85 ASP HB2 H 1 2.070 0.00 . 1 . . . . . . . . 4271 1 633 . 1 1 85 85 ASP HB3 H 1 1.800 0.00 . 1 . . . . . . . . 4271 1 634 . 1 1 85 85 ASP C C 13 178.140 0.10 . 1 . . . . . . . . 4271 1 635 . 1 1 86 86 VAL N N 15 125.830 0.20 . 1 . . . . . . . . 4271 1 636 . 1 1 86 86 VAL H H 1 7.760 0.02 . 1 . . . . . . . . 4271 1 637 . 1 1 86 86 VAL CA C 13 65.680 0.10 . 1 . . . . . . . . 4271 1 638 . 1 1 86 86 VAL HA H 1 3.820 0.00 . 1 . . . . . . . . 4271 1 639 . 1 1 86 86 VAL CB C 13 32.180 0.10 . 1 . . . . . . . . 4271 1 640 . 1 1 86 86 VAL HB H 1 2.220 0.00 . 1 . . . . . . . . 4271 1 641 . 1 1 86 86 VAL C C 13 177.470 0.10 . 1 . . . . . . . . 4271 1 642 . 1 1 87 87 ASP N N 15 119.270 0.20 . 1 . . . . . . . . 4271 1 643 . 1 1 87 87 ASP H H 1 7.820 0.02 . 1 . . . . . . . . 4271 1 644 . 1 1 87 87 ASP CA C 13 53.080 0.10 . 1 . . . . . . . . 4271 1 645 . 1 1 87 87 ASP HA H 1 4.650 0.00 . 1 . . . . . . . . 4271 1 646 . 1 1 87 87 ASP CB C 13 39.500 0.10 . 1 . . . . . . . . 4271 1 647 . 1 1 87 87 ASP HB2 H 1 3.100 0.00 . 1 . . . . . . . . 4271 1 648 . 1 1 87 87 ASP HB3 H 1 3.100 0.00 . 1 . . . . . . . . 4271 1 649 . 1 1 87 87 ASP C C 13 177.840 0.10 . 1 . . . . . . . . 4271 1 650 . 1 1 88 88 GLY N N 15 111.850 0.20 . 1 . . . . . . . . 4271 1 651 . 1 1 88 88 GLY H H 1 7.840 0.02 . 1 . . . . . . . . 4271 1 652 . 1 1 88 88 GLY CA C 13 47.500 0.10 . 1 . . . . . . . . 4271 1 653 . 1 1 88 88 GLY HA2 H 1 3.870 0.00 . 2 . . . . . . . . 4271 1 654 . 1 1 88 88 GLY HA3 H 1 4.100 0.00 . 2 . . . . . . . . 4271 1 655 . 1 1 88 88 GLY C C 13 174.910 0.10 . 1 . . . . . . . . 4271 1 656 . 1 1 89 89 ASP N N 15 122.770 0.20 . 1 . . . . . . . . 4271 1 657 . 1 1 89 89 ASP H H 1 8.110 0.02 . 1 . . . . . . . . 4271 1 658 . 1 1 89 89 ASP CA C 13 53.770 0.10 . 1 . . . . . . . . 4271 1 659 . 1 1 89 89 ASP HA H 1 4.460 0.00 . 1 . . . . . . . . 4271 1 660 . 1 1 89 89 ASP CB C 13 40.550 0.10 . 1 . . . . . . . . 4271 1 661 . 1 1 89 89 ASP HB2 H 1 2.960 0.00 . 1 . . . . . . . . 4271 1 662 . 1 1 89 89 ASP HB3 H 1 2.410 0.00 . 1 . . . . . . . . 4271 1 663 . 1 1 89 89 ASP C C 13 177.771 0.10 . 1 . . . . . . . . 4271 1 664 . 1 1 90 90 GLY N N 15 117.090 0.20 . 1 . . . . . . . . 4271 1 665 . 1 1 90 90 GLY H H 1 10.600 0.02 . 1 . . . . . . . . 4271 1 666 . 1 1 90 90 GLY CA C 13 46.650 0.10 . 1 . . . . . . . . 4271 1 667 . 1 1 90 90 GLY HA2 H 1 4.090 0.00 . 2 . . . . . . . . 4271 1 668 . 1 1 90 90 GLY HA3 H 1 3.750 0.00 . 2 . . . . . . . . 4271 1 669 . 1 1 90 90 GLY C C 13 174.090 0.10 . 1 . . . . . . . . 4271 1 670 . 1 1 91 91 LYS N N 15 122.550 0.20 . 1 . . . . . . . . 4271 1 671 . 1 1 91 91 LYS H H 1 7.940 0.02 . 1 . . . . . . . . 4271 1 672 . 1 1 91 91 LYS HA H 1 4.460 0.00 . 1 . . . . . . . . 4271 1 673 . 1 1 91 91 LYS HB2 H 1 1.690 0.00 . 1 . . . . . . . . 4271 1 674 . 1 1 91 91 LYS HB3 H 1 1.690 0.00 . 1 . . . . . . . . 4271 1 675 . 1 1 91 91 LYS CA C 13 55.410 0.10 . 1 . . . . . . . . 4271 1 676 . 1 1 91 91 LYS CB C 13 46.600 0.10 . 1 . . . . . . . . 4271 1 677 . 1 1 91 91 LYS C C 13 174.240 0.10 . 1 . . . . . . . . 4271 1 678 . 1 1 92 92 LEU N N 15 128.670 0.20 . 1 . . . . . . . . 4271 1 679 . 1 1 92 92 LEU H H 1 8.580 0.02 . 1 . . . . . . . . 4271 1 680 . 1 1 92 92 LEU CA C 13 53.480 0.10 . 1 . . . . . . . . 4271 1 681 . 1 1 92 92 LEU HA H 1 5.450 0.00 . 1 . . . . . . . . 4271 1 682 . 1 1 92 92 LEU CB C 13 42.470 0.10 . 1 . . . . . . . . 4271 1 683 . 1 1 92 92 LEU HB2 H 1 1.640 0.00 . 1 . . . . . . . . 4271 1 684 . 1 1 92 92 LEU HB3 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 685 . 1 1 92 92 LEU C C 13 177.380 0.10 . 1 . . . . . . . . 4271 1 686 . 1 1 93 93 THR N N 15 119.270 0.20 . 1 . . . . . . . . 4271 1 687 . 1 1 93 93 THR H H 1 8.890 0.02 . 1 . . . . . . . . 4271 1 688 . 1 1 93 93 THR CA C 13 60.030 0.10 . 1 . . . . . . . . 4271 1 689 . 1 1 93 93 THR HA H 1 4.790 0.00 . 1 . . . . . . . . 4271 1 690 . 1 1 93 93 THR CB C 13 71.420 0.10 . 1 . . . . . . . . 4271 1 691 . 1 1 93 93 THR HB H 1 4.590 0.00 . 1 . . . . . . . . 4271 1 692 . 1 1 93 93 THR C C 13 175.294 0.10 . 1 . . . . . . . . 4271 1 693 . 1 1 94 94 LYS N N 15 124.520 0.20 . 1 . . . . . . . . 4271 1 694 . 1 1 94 94 LYS H H 1 9.200 0.02 . 1 . . . . . . . . 4271 1 695 . 1 1 94 94 LYS CA C 13 60.200 0.10 . 1 . . . . . . . . 4271 1 696 . 1 1 94 94 LYS HA H 1 4.340 0.00 . 1 . . . . . . . . 4271 1 697 . 1 1 94 94 LYS CB C 13 40.550 0.10 . 1 . . . . . . . . 4271 1 698 . 1 1 94 94 LYS HB2 H 1 1.960 0.00 . 1 . . . . . . . . 4271 1 699 . 1 1 94 94 LYS HB3 H 1 1.960 0.00 . 1 . . . . . . . . 4271 1 700 . 1 1 94 94 LYS C C 13 174.318 0.10 . 1 . . . . . . . . 4271 1 701 . 1 1 95 95 GLU N N 15 123.210 0.20 . 1 . . . . . . . . 4271 1 702 . 1 1 95 95 GLU H H 1 8.760 0.02 . 1 . . . . . . . . 4271 1 703 . 1 1 95 95 GLU HA H 1 4.120 0.00 . 1 . . . . . . . . 4271 1 704 . 1 1 95 95 GLU HB2 H 1 2.020 0.00 . 1 . . . . . . . . 4271 1 705 . 1 1 95 95 GLU HB3 H 1 2.160 0.00 . 1 . . . . . . . . 4271 1 706 . 1 1 95 95 GLU CA C 13 60.040 0.10 . 1 . . . . . . . . 4271 1 707 . 1 1 95 95 GLU CB C 13 29.290 0.10 . 1 . . . . . . . . 4271 1 708 . 1 1 95 95 GLU C C 13 179.340 0.10 . 1 . . . . . . . . 4271 1 709 . 1 1 96 96 GLU N N 15 124.740 0.20 . 1 . . . . . . . . 4271 1 710 . 1 1 96 96 GLU H H 1 7.930 0.02 . 1 . . . . . . . . 4271 1 711 . 1 1 96 96 GLU CA C 13 59.910 0.10 . 1 . . . . . . . . 4271 1 712 . 1 1 96 96 GLU HA H 1 4.070 0.00 . 1 . . . . . . . . 4271 1 713 . 1 1 96 96 GLU CB C 13 30.390 0.10 . 1 . . . . . . . . 4271 1 714 . 1 1 96 96 GLU HB2 H 1 2.360 0.00 . 1 . . . . . . . . 4271 1 715 . 1 1 96 96 GLU HB3 H 1 2.160 0.00 . 1 . . . . . . . . 4271 1 716 . 1 1 96 96 GLU C C 13 180.390 0.10 . 1 . . . . . . . . 4271 1 717 . 1 1 97 97 VAL N N 15 124.080 0.20 . 1 . . . . . . . . 4271 1 718 . 1 1 97 97 VAL H H 1 8.450 0.02 . 1 . . . . . . . . 4271 1 719 . 1 1 97 97 VAL CA C 13 67.040 0.10 . 1 . . . . . . . . 4271 1 720 . 1 1 97 97 VAL HA H 1 3.740 0.00 . 1 . . . . . . . . 4271 1 721 . 1 1 97 97 VAL CB C 13 32.760 0.10 . 1 . . . . . . . . 4271 1 722 . 1 1 97 97 VAL HB H 1 2.300 0.00 . 1 . . . . . . . . 4271 1 723 . 1 1 97 97 VAL C C 13 177.770 0.10 . 1 . . . . . . . . 4271 1 724 . 1 1 98 98 THR N N 15 117.530 0.20 . 1 . . . . . . . . 4271 1 725 . 1 1 98 98 THR H H 1 8.870 0.02 . 1 . . . . . . . . 4271 1 726 . 1 1 98 98 THR CA C 13 67.430 0.10 . 1 . . . . . . . . 4271 1 727 . 1 1 98 98 THR HA H 1 4.320 0.00 . 1 . . . . . . . . 4271 1 728 . 1 1 98 98 THR CB C 13 68.810 0.10 . 1 . . . . . . . . 4271 1 729 . 1 1 98 98 THR HB H 1 3.980 0.00 . 1 . . . . . . . . 4271 1 730 . 1 1 98 98 THR C C 13 177.020 0.10 . 1 . . . . . . . . 4271 1 731 . 1 1 99 99 SER N N 15 119.270 0.20 . 1 . . . . . . . . 4271 1 732 . 1 1 99 99 SER H H 1 8.380 0.02 . 1 . . . . . . . . 4271 1 733 . 1 1 99 99 SER CA C 13 62.250 0.10 . 1 . . . . . . . . 4271 1 734 . 1 1 99 99 SER HA H 1 4.200 0.00 . 1 . . . . . . . . 4271 1 735 . 1 1 99 99 SER CB C 13 63.180 0.10 . 1 . . . . . . . . 4271 1 736 . 1 1 99 99 SER HB2 H 1 4.130 0.00 . 1 . . . . . . . . 4271 1 737 . 1 1 99 99 SER HB3 H 1 4.130 0.00 . 1 . . . . . . . . 4271 1 738 . 1 1 99 99 SER C C 13 176.720 0.10 . 1 . . . . . . . . 4271 1 739 . 1 1 100 100 PHE N N 15 125.390 0.20 . 1 . . . . . . . . 4271 1 740 . 1 1 100 100 PHE H H 1 7.650 0.02 . 1 . . . . . . . . 4271 1 741 . 1 1 100 100 PHE CA C 13 62.200 0.10 . 1 . . . . . . . . 4271 1 742 . 1 1 100 100 PHE HA H 1 4.130 0.00 . 1 . . . . . . . . 4271 1 743 . 1 1 100 100 PHE CB C 13 39.000 0.10 . 1 . . . . . . . . 4271 1 744 . 1 1 100 100 PHE HB2 H 1 3.400 0.00 . 1 . . . . . . . . 4271 1 745 . 1 1 100 100 PHE HB3 H 1 2.910 0.00 . 1 . . . . . . . . 4271 1 746 . 1 1 100 100 PHE C C 13 176.640 0.10 . 1 . . . . . . . . 4271 1 747 . 1 1 101 101 PHE N N 15 118.180 0.20 . 1 . . . . . . . . 4271 1 748 . 1 1 101 101 PHE H H 1 7.950 0.02 . 1 . . . . . . . . 4271 1 749 . 1 1 101 101 PHE CA C 13 63.640 0.10 . 1 . . . . . . . . 4271 1 750 . 1 1 101 101 PHE HA H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 751 . 1 1 101 101 PHE CB C 13 38.480 0.10 . 1 . . . . . . . . 4271 1 752 . 1 1 101 101 PHE HB2 H 1 3.650 0.00 . 1 . . . . . . . . 4271 1 753 . 1 1 101 101 PHE HB3 H 1 2.880 0.00 . 1 . . . . . . . . 4271 1 754 . 1 1 101 101 PHE C C 13 178.370 0.10 . 1 . . . . . . . . 4271 1 755 . 1 1 102 102 LYS N N 15 124.080 0.20 . 1 . . . . . . . . 4271 1 756 . 1 1 102 102 LYS H H 1 8.700 0.02 . 1 . . . . . . . . 4271 1 757 . 1 1 102 102 LYS CA C 13 60.070 0.10 . 1 . . . . . . . . 4271 1 758 . 1 1 102 102 LYS HA H 1 4.160 0.00 . 1 . . . . . . . . 4271 1 759 . 1 1 102 102 LYS CB C 13 32.860 0.10 . 1 . . . . . . . . 4271 1 760 . 1 1 102 102 LYS HB2 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 761 . 1 1 102 102 LYS HB3 H 1 1.970 0.00 . 1 . . . . . . . . 4271 1 762 . 1 1 102 102 LYS C C 13 180.240 0.10 . 1 . . . . . . . . 4271 1 763 . 1 1 103 103 LYS N N 15 124.300 0.20 . 1 . . . . . . . . 4271 1 764 . 1 1 103 103 LYS H H 1 7.720 0.02 . 1 . . . . . . . . 4271 1 765 . 1 1 103 103 LYS CA C 13 59.180 0.10 . 1 . . . . . . . . 4271 1 766 . 1 1 103 103 LYS HA H 1 3.960 0.00 . 1 . . . . . . . . 4271 1 767 . 1 1 103 103 LYS CB C 13 31.490 0.10 . 1 . . . . . . . . 4271 1 768 . 1 1 103 103 LYS HB2 H 1 1.550 0.00 . 1 . . . . . . . . 4271 1 769 . 1 1 103 103 LYS HB3 H 1 1.780 0.00 . 1 . . . . . . . . 4271 1 770 . 1 1 103 103 LYS C C 13 177.621 0.10 . 1 . . . . . . . . 4271 1 771 . 1 1 104 104 HIS N N 15 117.530 0.20 . 1 . . . . . . . . 4271 1 772 . 1 1 104 104 HIS H H 1 6.770 0.02 . 1 . . . . . . . . 4271 1 773 . 1 1 104 104 HIS CA C 13 56.340 0.10 . 1 . . . . . . . . 4271 1 774 . 1 1 104 104 HIS HA H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 775 . 1 1 104 104 HIS CB C 13 31.630 0.10 . 1 . . . . . . . . 4271 1 776 . 1 1 104 104 HIS HB2 H 1 3.290 0.00 . 1 . . . . . . . . 4271 1 777 . 1 1 104 104 HIS HB3 H 1 2.460 0.00 . 1 . . . . . . . . 4271 1 778 . 1 1 104 104 HIS C C 13 175.069 0.10 . 1 . . . . . . . . 4271 1 779 . 1 1 105 105 GLY N N 15 111.850 0.20 . 1 . . . . . . . . 4271 1 780 . 1 1 105 105 GLY H H 1 7.870 0.02 . 1 . . . . . . . . 4271 1 781 . 1 1 105 105 GLY CA C 13 46.840 0.10 . 1 . . . . . . . . 4271 1 782 . 1 1 105 105 GLY HA3 H 1 4.260 0.00 . 2 . . . . . . . . 4271 1 783 . 1 1 105 105 GLY C C 13 174.700 0.10 . 1 . . . . . . . . 4271 1 784 . 1 1 106 106 ILE N N 15 120.150 0.20 . 1 . . . . . . . . 4271 1 785 . 1 1 106 106 ILE H H 1 8.050 0.02 . 1 . . . . . . . . 4271 1 786 . 1 1 106 106 ILE CA C 13 59.630 0.10 . 1 . . . . . . . . 4271 1 787 . 1 1 106 106 ILE HA H 1 4.820 0.00 . 1 . . . . . . . . 4271 1 788 . 1 1 106 106 ILE CB C 13 38.760 0.10 . 1 . . . . . . . . 4271 1 789 . 1 1 106 106 ILE HB H 1 2.180 0.00 . 1 . . . . . . . . 4271 1 790 . 1 1 106 106 ILE C C 13 176.270 0.10 . 1 . . . . . . . . 4271 1 791 . 1 1 107 107 GLU N N 15 126.700 0.20 . 1 . . . . . . . . 4271 1 792 . 1 1 107 107 GLU H H 1 8.670 0.02 . 1 . . . . . . . . 4271 1 793 . 1 1 107 107 GLU CA C 13 59.650 0.10 . 1 . . . . . . . . 4271 1 794 . 1 1 107 107 GLU HA H 1 3.960 0.00 . 1 . . . . . . . . 4271 1 795 . 1 1 107 107 GLU CB C 13 30.400 0.10 . 1 . . . . . . . . 4271 1 796 . 1 1 107 107 GLU HB2 H 1 2.330 0.00 . 1 . . . . . . . . 4271 1 797 . 1 1 107 107 GLU HB3 H 1 2.330 0.00 . 1 . . . . . . . . 4271 1 798 . 1 1 107 107 GLU C C 13 178.140 0.10 . 1 . . . . . . . . 4271 1 799 . 1 1 108 108 LYS N N 15 120.800 0.20 . 1 . . . . . . . . 4271 1 800 . 1 1 108 108 LYS H H 1 8.700 0.02 . 1 . . . . . . . . 4271 1 801 . 1 1 108 108 LYS CA C 13 59.130 0.10 . 1 . . . . . . . . 4271 1 802 . 1 1 108 108 LYS HA H 1 4.180 0.00 . 1 . . . . . . . . 4271 1 803 . 1 1 108 108 LYS CB C 13 32.060 0.10 . 1 . . . . . . . . 4271 1 804 . 1 1 108 108 LYS HB2 H 1 1.940 0.00 . 1 . . . . . . . . 4271 1 805 . 1 1 108 108 LYS HB3 H 1 1.940 0.00 . 1 . . . . . . . . 4271 1 806 . 1 1 108 108 LYS C C 13 178.440 0.10 . 1 . . . . . . . . 4271 1 807 . 1 1 109 109 VAL N N 15 123.640 0.20 . 1 . . . . . . . . 4271 1 808 . 1 1 109 109 VAL H H 1 7.930 0.02 . 1 . . . . . . . . 4271 1 809 . 1 1 109 109 VAL CA C 13 64.850 0.10 . 1 . . . . . . . . 4271 1 810 . 1 1 109 109 VAL HA H 1 3.680 0.00 . 1 . . . . . . . . 4271 1 811 . 1 1 109 109 VAL CB C 13 31.900 0.10 . 1 . . . . . . . . 4271 1 812 . 1 1 109 109 VAL HB H 1 1.530 0.00 . 1 . . . . . . . . 4271 1 813 . 1 1 109 109 VAL C C 13 177.320 0.10 . 1 . . . . . . . . 4271 1 814 . 1 1 110 110 ALA N N 15 124.740 0.20 . 1 . . . . . . . . 4271 1 815 . 1 1 110 110 ALA H H 1 7.880 0.02 . 1 . . . . . . . . 4271 1 816 . 1 1 110 110 ALA CA C 13 55.640 0.10 . 1 . . . . . . . . 4271 1 817 . 1 1 110 110 ALA HA H 1 3.630 0.00 . 1 . . . . . . . . 4271 1 818 . 1 1 110 110 ALA HB1 H 1 1.610 0.00 . 1 . . . . . . . . 4271 1 819 . 1 1 110 110 ALA HB2 H 1 1.610 0.00 . 1 . . . . . . . . 4271 1 820 . 1 1 110 110 ALA HB3 H 1 1.610 0.00 . 1 . . . . . . . . 4271 1 821 . 1 1 110 110 ALA CB C 13 19.420 0.10 . 1 . . . . . . . . 4271 1 822 . 1 1 110 110 ALA C C 13 178.890 0.10 . 1 . . . . . . . . 4271 1 823 . 1 1 111 111 GLU N N 15 117.960 0.20 . 1 . . . . . . . . 4271 1 824 . 1 1 111 111 GLU H H 1 7.650 0.02 . 1 . . . . . . . . 4271 1 825 . 1 1 111 111 GLU CA C 13 59.210 0.10 . 1 . . . . . . . . 4271 1 826 . 1 1 111 111 GLU HA H 1 3.980 0.00 . 1 . . . . . . . . 4271 1 827 . 1 1 111 111 GLU CB C 13 28.890 0.10 . 1 . . . . . . . . 4271 1 828 . 1 1 111 111 GLU HB2 H 1 2.080 0.00 . 1 . . . . . . . . 4271 1 829 . 1 1 111 111 GLU HB3 H 1 2.380 0.00 . 1 . . . . . . . . 4271 1 830 . 1 1 111 111 GLU C C 13 178.890 0.10 . 1 . . . . . . . . 4271 1 831 . 1 1 112 112 GLN N N 15 120.150 0.20 . 1 . . . . . . . . 4271 1 832 . 1 1 112 112 GLN H H 1 7.250 0.02 . 1 . . . . . . . . 4271 1 833 . 1 1 112 112 GLN CA C 13 58.250 0.10 . 1 . . . . . . . . 4271 1 834 . 1 1 112 112 GLN HA H 1 4.120 0.00 . 1 . . . . . . . . 4271 1 835 . 1 1 112 112 GLN CB C 13 29.150 0.10 . 1 . . . . . . . . 4271 1 836 . 1 1 112 112 GLN HB2 H 1 2.550 0.00 . 1 . . . . . . . . 4271 1 837 . 1 1 112 112 GLN HB3 H 1 2.550 0.00 . 1 . . . . . . . . 4271 1 838 . 1 1 112 112 GLN C C 13 178.822 0.10 . 1 . . . . . . . . 4271 1 839 . 1 1 113 113 VAL N N 15 122.550 0.20 . 1 . . . . . . . . 4271 1 840 . 1 1 113 113 VAL H H 1 7.820 0.02 . 1 . . . . . . . . 4271 1 841 . 1 1 113 113 VAL CA C 13 66.080 0.10 . 1 . . . . . . . . 4271 1 842 . 1 1 113 113 VAL HA H 1 3.440 0.00 . 1 . . . . . . . . 4271 1 843 . 1 1 113 113 VAL CB C 13 31.080 0.10 . 1 . . . . . . . . 4271 1 844 . 1 1 113 113 VAL HB H 1 2.020 0.00 . 1 . . . . . . . . 4271 1 845 . 1 1 113 113 VAL C C 13 177.470 0.10 . 1 . . . . . . . . 4271 1 846 . 1 1 114 114 MET N N 15 117.030 0.20 . 1 . . . . . . . . 4271 1 847 . 1 1 114 114 MET H H 1 7.730 0.02 . 1 . . . . . . . . 4271 1 848 . 1 1 114 114 MET CA C 13 56.070 0.10 . 1 . . . . . . . . 4271 1 849 . 1 1 114 114 MET HA H 1 4.510 0.00 . 1 . . . . . . . . 4271 1 850 . 1 1 114 114 MET CB C 13 31.900 0.10 . 1 . . . . . . . . 4271 1 851 . 1 1 114 114 MET HB2 H 1 2.220 0.00 . 1 . . . . . . . . 4271 1 852 . 1 1 114 114 MET HB3 H 1 2.080 0.00 . 1 . . . . . . . . 4271 1 853 . 1 1 114 114 MET C C 13 179.570 0.10 . 1 . . . . . . . . 4271 1 854 . 1 1 115 115 LYS N N 15 122.550 0.20 . 1 . . . . . . . . 4271 1 855 . 1 1 115 115 LYS H H 1 7.430 0.02 . 1 . . . . . . . . 4271 1 856 . 1 1 115 115 LYS CA C 13 58.130 0.10 . 1 . . . . . . . . 4271 1 857 . 1 1 115 115 LYS HA H 1 4.450 0.00 . 1 . . . . . . . . 4271 1 858 . 1 1 115 115 LYS CB C 13 31.900 0.10 . 1 . . . . . . . . 4271 1 859 . 1 1 115 115 LYS HB2 H 1 2.680 0.00 . 1 . . . . . . . . 4271 1 860 . 1 1 115 115 LYS HB3 H 1 2.680 0.00 . 1 . . . . . . . . 4271 1 861 . 1 1 115 115 LYS C C 13 176.870 0.10 . 1 . . . . . . . . 4271 1 862 . 1 1 116 116 ALA N N 15 122.990 0.20 . 1 . . . . . . . . 4271 1 863 . 1 1 116 116 ALA H H 1 8.030 0.02 . 1 . . . . . . . . 4271 1 864 . 1 1 116 116 ALA CA C 13 52.750 0.10 . 1 . . . . . . . . 4271 1 865 . 1 1 116 116 ALA HA H 1 4.150 0.00 . 1 . . . . . . . . 4271 1 866 . 1 1 116 116 ALA HB1 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 867 . 1 1 116 116 ALA HB2 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 868 . 1 1 116 116 ALA HB3 H 1 1.420 0.00 . 1 . . . . . . . . 4271 1 869 . 1 1 116 116 ALA CB C 13 17.770 0.10 . 1 . . . . . . . . 4271 1 870 . 1 1 116 116 ALA C C 13 177.770 0.10 . 1 . . . . . . . . 4271 1 871 . 1 1 117 117 ASP N N 15 119.060 0.20 . 1 . . . . . . . . 4271 1 872 . 1 1 117 117 ASP H H 1 7.230 0.02 . 1 . . . . . . . . 4271 1 873 . 1 1 117 117 ASP CA C 13 53.460 0.10 . 1 . . . . . . . . 4271 1 874 . 1 1 117 117 ASP HA H 1 4.650 0.00 . 1 . . . . . . . . 4271 1 875 . 1 1 117 117 ASP CB C 13 38.850 0.10 . 1 . . . . . . . . 4271 1 876 . 1 1 117 117 ASP HB2 H 1 2.960 0.00 . 1 . . . . . . . . 4271 1 877 . 1 1 117 117 ASP HB3 H 1 2.330 0.00 . 1 . . . . . . . . 4271 1 878 . 1 1 117 117 ASP C C 13 175.960 0.10 . 1 . . . . . . . . 4271 1 879 . 1 1 118 118 ALA N N 15 135.660 0.20 . 1 . . . . . . . . 4271 1 880 . 1 1 118 118 ALA H H 1 7.970 0.02 . 1 . . . . . . . . 4271 1 881 . 1 1 118 118 ALA CA C 13 54.580 0.10 . 1 . . . . . . . . 4271 1 882 . 1 1 118 118 ALA HA H 1 4.210 0.00 . 1 . . . . . . . . 4271 1 883 . 1 1 118 118 ALA HB1 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 884 . 1 1 118 118 ALA HB2 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 885 . 1 1 118 118 ALA HB3 H 1 1.600 0.00 . 1 . . . . . . . . 4271 1 886 . 1 1 118 118 ALA CB C 13 19.830 0.10 . 1 . . . . . . . . 4271 1 887 . 1 1 118 118 ALA C C 13 178.440 0.10 . 1 . . . . . . . . 4271 1 888 . 1 1 119 119 ASN N N 15 114.690 0.20 . 1 . . . . . . . . 4271 1 889 . 1 1 119 119 ASN H H 1 7.980 0.02 . 1 . . . . . . . . 4271 1 890 . 1 1 119 119 ASN CA C 13 51.780 0.10 . 1 . . . . . . . . 4271 1 891 . 1 1 119 119 ASN HA H 1 4.870 0.00 . 1 . . . . . . . . 4271 1 892 . 1 1 119 119 ASN CB C 13 37.260 0.10 . 1 . . . . . . . . 4271 1 893 . 1 1 119 119 ASN HB2 H 1 3.320 0.00 . 1 . . . . . . . . 4271 1 894 . 1 1 119 119 ASN HB3 H 1 2.960 0.00 . 1 . . . . . . . . 4271 1 895 . 1 1 119 119 ASN C C 13 176.570 0.10 . 1 . . . . . . . . 4271 1 896 . 1 1 120 120 GLY N N 15 112.500 0.20 . 1 . . . . . . . . 4271 1 897 . 1 1 120 120 GLY H H 1 7.560 0.02 . 1 . . . . . . . . 4271 1 898 . 1 1 120 120 GLY CA C 13 47.590 0.10 . 1 . . . . . . . . 4271 1 899 . 1 1 120 120 GLY HA3 H 1 3.850 0.00 . 2 . . . . . . . . 4271 1 900 . 1 1 120 120 GLY C C 13 174.840 0.10 . 1 . . . . . . . . 4271 1 901 . 1 1 121 121 ASP N N 15 121.680 0.20 . 1 . . . . . . . . 4271 1 902 . 1 1 121 121 ASP H H 1 7.940 0.02 . 1 . . . . . . . . 4271 1 903 . 1 1 121 121 ASP CA C 13 53.520 0.10 . 1 . . . . . . . . 4271 1 904 . 1 1 121 121 ASP HA H 1 4.480 0.00 . 1 . . . . . . . . 4271 1 905 . 1 1 121 121 ASP CB C 13 40.270 0.10 . 1 . . . . . . . . 4271 1 906 . 1 1 121 121 ASP HB2 H 1 3.070 0.00 . 1 . . . . . . . . 4271 1 907 . 1 1 121 121 ASP HB3 H 1 2.490 0.00 . 1 . . . . . . . . 4271 1 908 . 1 1 121 121 ASP C C 13 176.720 0.10 . 1 . . . . . . . . 4271 1 909 . 1 1 122 122 GLY N N 15 114.470 0.20 . 1 . . . . . . . . 4271 1 910 . 1 1 122 122 GLY H H 1 9.920 0.02 . 1 . . . . . . . . 4271 1 911 . 1 1 122 122 GLY CA C 13 45.310 0.10 . 1 . . . . . . . . 4271 1 912 . 1 1 122 122 GLY HA2 H 1 4.150 0.00 . 2 . . . . . . . . 4271 1 913 . 1 1 122 122 GLY HA3 H 1 3.430 0.00 . 2 . . . . . . . . 4271 1 914 . 1 1 122 122 GLY C C 13 173.040 0.10 . 1 . . . . . . . . 4271 1 915 . 1 1 123 123 TYR N N 15 119.270 0.20 . 1 . . . . . . . . 4271 1 916 . 1 1 123 123 TYR H H 1 7.770 0.02 . 1 . . . . . . . . 4271 1 917 . 1 1 123 123 TYR CA C 13 54.790 0.10 . 1 . . . . . . . . 4271 1 918 . 1 1 123 123 TYR HA H 1 5.400 0.00 . 1 . . . . . . . . 4271 1 919 . 1 1 123 123 TYR CB C 13 41.500 0.10 . 1 . . . . . . . . 4271 1 920 . 1 1 123 123 TYR HB2 H 1 2.660 0.00 . 1 . . . . . . . . 4271 1 921 . 1 1 123 123 TYR HB3 H 1 2.740 0.00 . 1 . . . . . . . . 4271 1 922 . 1 1 123 123 TYR C C 13 175.070 0.10 . 1 . . . . . . . . 4271 1 923 . 1 1 124 124 ILE N N 15 128.010 0.20 . 1 . . . . . . . . 4271 1 924 . 1 1 124 124 ILE H H 1 9.680 0.02 . 1 . . . . . . . . 4271 1 925 . 1 1 124 124 ILE CA C 13 59.340 0.10 . 1 . . . . . . . . 4271 1 926 . 1 1 124 124 ILE HA H 1 5.370 0.00 . 1 . . . . . . . . 4271 1 927 . 1 1 124 124 ILE CB C 13 39.720 0.10 . 1 . . . . . . . . 4271 1 928 . 1 1 124 124 ILE HB H 1 2.050 0.00 . 1 . . . . . . . . 4271 1 929 . 1 1 124 124 ILE C C 13 178.440 0.10 . 1 . . . . . . . . 4271 1 930 . 1 1 125 125 THR N N 15 127.140 0.20 . 1 . . . . . . . . 4271 1 931 . 1 1 125 125 THR H H 1 9.460 0.02 . 1 . . . . . . . . 4271 1 932 . 1 1 125 125 THR CA C 13 61.100 0.10 . 1 . . . . . . . . 4271 1 933 . 1 1 125 125 THR HA H 1 4.870 0.00 . 1 . . . . . . . . 4271 1 934 . 1 1 125 125 THR CB C 13 71.000 0.10 . 1 . . . . . . . . 4271 1 935 . 1 1 125 125 THR HB H 1 4.680 0.00 . 1 . . . . . . . . 4271 1 936 . 1 1 125 125 THR C C 13 175.140 0.10 . 1 . . . . . . . . 4271 1 937 . 1 1 126 126 LEU N N 15 128.610 0.20 . 1 . . . . . . . . 4271 1 938 . 1 1 126 126 LEU H H 1 9.390 0.02 . 1 . . . . . . . . 4271 1 939 . 1 1 126 126 LEU CA C 13 59.050 0.10 . 1 . . . . . . . . 4271 1 940 . 1 1 126 126 LEU HA H 1 3.290 0.00 . 1 . . . . . . . . 4271 1 941 . 1 1 126 126 LEU CB C 13 40.410 0.10 . 1 . . . . . . . . 4271 1 942 . 1 1 126 126 LEU HB2 H 1 1.530 0.00 . 1 . . . . . . . . 4271 1 943 . 1 1 126 126 LEU HB3 H 1 1.370 0.00 . 1 . . . . . . . . 4271 1 944 . 1 1 126 126 LEU C C 13 177.770 0.10 . 1 . . . . . . . . 4271 1 945 . 1 1 127 127 GLU N N 15 118.840 0.20 . 1 . . . . . . . . 4271 1 946 . 1 1 127 127 GLU H H 1 8.590 0.02 . 1 . . . . . . . . 4271 1 947 . 1 1 127 127 GLU CA C 13 60.800 0.10 . 1 . . . . . . . . 4271 1 948 . 1 1 127 127 GLU HA H 1 3.870 0.00 . 1 . . . . . . . . 4271 1 949 . 1 1 127 127 GLU CB C 13 29.150 0.10 . 1 . . . . . . . . 4271 1 950 . 1 1 127 127 GLU HB2 H 1 2.080 0.00 . 1 . . . . . . . . 4271 1 951 . 1 1 127 127 GLU HB3 H 1 2.040 0.00 . 1 . . . . . . . . 4271 1 952 . 1 1 127 127 GLU C C 13 180.020 0.10 . 1 . . . . . . . . 4271 1 953 . 1 1 128 128 GLU N N 15 121.460 0.20 . 1 . . . . . . . . 4271 1 954 . 1 1 128 128 GLU H H 1 7.620 0.02 . 1 . . . . . . . . 4271 1 955 . 1 1 128 128 GLU CA C 13 59.000 0.10 . 1 . . . . . . . . 4271 1 956 . 1 1 128 128 GLU HA H 1 4.160 0.00 . 1 . . . . . . . . 4271 1 957 . 1 1 128 128 GLU CB C 13 30.050 0.10 . 1 . . . . . . . . 4271 1 958 . 1 1 128 128 GLU HB2 H 1 2.410 0.00 . 1 . . . . . . . . 4271 1 959 . 1 1 128 128 GLU HB3 H 1 2.100 0.00 . 1 . . . . . . . . 4271 1 960 . 1 1 128 128 GLU C C 13 179.640 0.10 . 1 . . . . . . . . 4271 1 961 . 1 1 129 129 PHE N N 15 125.170 0.20 . 1 . . . . . . . . 4271 1 962 . 1 1 129 129 PHE H H 1 8.760 0.02 . 1 . . . . . . . . 4271 1 963 . 1 1 129 129 PHE CA C 13 61.520 0.10 . 1 . . . . . . . . 4271 1 964 . 1 1 129 129 PHE HA H 1 4.150 0.00 . 1 . . . . . . . . 4271 1 965 . 1 1 129 129 PHE CB C 13 40.550 0.10 . 1 . . . . . . . . 4271 1 966 . 1 1 129 129 PHE HB2 H 1 3.210 0.00 . 1 . . . . . . . . 4271 1 967 . 1 1 129 129 PHE HB3 H 1 3.210 0.00 . 1 . . . . . . . . 4271 1 968 . 1 1 129 129 PHE C C 13 176.340 0.10 . 1 . . . . . . . . 4271 1 969 . 1 1 130 130 LEU N N 15 117.090 0.20 . 1 . . . . . . . . 4271 1 970 . 1 1 130 130 LEU H H 1 8.330 0.02 . 1 . . . . . . . . 4271 1 971 . 1 1 130 130 LEU CA C 13 56.870 0.10 . 1 . . . . . . . . 4271 1 972 . 1 1 130 130 LEU HA H 1 4.160 0.00 . 1 . . . . . . . . 4271 1 973 . 1 1 130 130 LEU CB C 13 41.230 0.10 . 1 . . . . . . . . 4271 1 974 . 1 1 130 130 LEU HB2 H 1 1.960 0.00 . 1 . . . . . . . . 4271 1 975 . 1 1 130 130 LEU HB3 H 1 1.550 0.00 . 1 . . . . . . . . 4271 1 976 . 1 1 130 130 LEU C C 13 177.920 0.10 . 1 . . . . . . . . 4271 1 977 . 1 1 131 131 GLU N N 15 119.710 0.20 . 1 . . . . . . . . 4271 1 978 . 1 1 131 131 GLU H H 1 7.410 0.02 . 1 . . . . . . . . 4271 1 979 . 1 1 131 131 GLU CA C 13 55.830 0.10 . 1 . . . . . . . . 4271 1 980 . 1 1 131 131 GLU HA H 1 4.400 0.00 . 1 . . . . . . . . 4271 1 981 . 1 1 131 131 GLU CB C 13 30.110 0.10 . 1 . . . . . . . . 4271 1 982 . 1 1 131 131 GLU HB2 H 1 2.330 0.00 . 1 . . . . . . . . 4271 1 983 . 1 1 131 131 GLU HB3 H 1 1.940 0.00 . 1 . . . . . . . . 4271 1 984 . 1 1 131 131 GLU C C 13 176.490 0.10 . 1 . . . . . . . . 4271 1 985 . 1 1 132 132 PHE N N 15 125.610 0.20 . 1 . . . . . . . . 4271 1 986 . 1 1 132 132 PHE H H 1 7.820 0.02 . 1 . . . . . . . . 4271 1 987 . 1 1 132 132 PHE CA C 13 57.980 0.10 . 1 . . . . . . . . 4271 1 988 . 1 1 132 132 PHE HA H 1 4.490 0.00 . 1 . . . . . . . . 4271 1 989 . 1 1 132 132 PHE CB C 13 40.400 0.10 . 1 . . . . . . . . 4271 1 990 . 1 1 132 132 PHE HB2 H 1 2.970 0.00 . 1 . . . . . . . . 4271 1 991 . 1 1 132 132 PHE HB3 H 1 2.970 0.00 . 1 . . . . . . . . 4271 1 992 . 1 1 132 132 PHE C C 13 173.790 0.10 . 1 . . . . . . . . 4271 1 993 . 1 1 133 133 SER N N 15 122.550 0.20 . 1 . . . . . . . . 4271 1 994 . 1 1 133 133 SER H H 1 7.020 0.02 . 1 . . . . . . . . 4271 1 995 . 1 1 133 133 SER CA C 13 57.120 0.10 . 1 . . . . . . . . 4271 1 996 . 1 1 133 133 SER HA H 1 4.150 0.00 . 1 . . . . . . . . 4271 1 997 . 1 1 133 133 SER CB C 13 64.280 0.10 . 1 . . . . . . . . 4271 1 998 . 1 1 133 133 SER HB2 H 1 3.550 0.00 . 1 . . . . . . . . 4271 1 999 . 1 1 133 133 SER HB3 H 1 3.550 0.00 . 1 . . . . . . . . 4271 1 1000 . 1 1 133 133 SER C C 13 171.910 0.10 . 1 . . . . . . . . 4271 1 1001 . 1 1 134 134 LEU N N 15 133.470 0.20 . 1 . . . . . . . . 4271 1 1002 . 1 1 134 134 LEU H H 1 7.450 0.02 . 1 . . . . . . . . 4271 1 1003 . 1 1 134 134 LEU CA C 13 57.020 0.10 . 1 . . . . . . . . 4271 1 1004 . 1 1 134 134 LEU CB C 13 43.800 0.10 . 1 . . . . . . . . 4271 1 1005 . 1 1 134 134 LEU HA H 1 3.900 0.00 . 1 . . . . . . . . 4271 1 1006 . 1 1 134 134 LEU HB2 H 1 1.580 0.00 . 1 . . . . . . . . 4271 1 1007 . 1 1 134 134 LEU HB3 H 1 1.380 0.00 . 1 . . . . . . . . 4271 1 stop_ save_