data_17762 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17762 _Entry.Title ; Solution structure of the monomeric derivative of BS-RNase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-06 _Entry.Accession_date 2011-07-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roberta Spadaccini . . . 17762 2 Delia Picone . . . 17762 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17762 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 17762 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17762 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 17762 '15N chemical shifts' 132 17762 '1H chemical shifts' 634 17762 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 3 . . 2013-07-30 2011-07-06 update author 'Delete the shift of 114 PRO C 3.597' 17762 2 . . 2012-01-25 2011-07-06 update author 'update chemical shift' 17762 1 . . 2012-01-23 2011-07-06 original author 'original release' 17762 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LFJ 'BMRB Entry Tracking System' 17762 stop_ save_ ############### # Citations # ############### save_mbs_refined_structure _Citation.Sf_category citations _Citation.Sf_framecode mbs_refined_structure _Citation.Entry_ID 17762 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22253705 _Citation.Full_citation . _Citation.Title 'NMR Studies on Structure and Dynamics of the Monomeric Derivative of BS-RNase: New Insights for 3D Domain Swapping.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 7 _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 . _Citation.Page_last . _Citation.Year 2012 _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 Roberta Spadaccini . . . 17762 1 2 Carmine Ercole . . . 17762 1 3 Maria Gentile . A. . 17762 1 4 Domenico Sanfelice . . . 17762 1 5 Rolf Boelens . . . 17762 1 6 Rainer Wechselberger . . . 17762 1 7 Gyula Batta . . . 17762 1 8 Andrea Bernini . . . 17762 1 9 Neri Niccolai . . . 17762 1 10 Delia Picone . . . 17762 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17762 _Assembly.ID 1 _Assembly.Name BS-RNase _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 mBS 1 $mBS A . yes native no no . . . 17762 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mBS _Entity.Sf_category entity _Entity.Sf_framecode mBS _Entity.Entry_ID 17762 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mBS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KESAAAKFERQHMDSGNSPS SSSNYCNLMMCCRKMTQGKC KPVNTFVHESLADVKAVCSQ KKVTCKDGQTNCYQSKSTMR ITDCRETGSSKYPNCAYKTT QVEKHIIVACGGKPSVPVHF DASV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-124 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13633.684 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 11BA . "Binding Of A Substrate Analogue To A Domain Swapping Protein In The Complex Of Bovine Seminal Ribonuclease With Uridylyl-2',5'-" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 2 no PDB 11BG . "A Potential Allosteric Subsite Generated By Domain Swapping In Bovine Seminal Ribonuclease" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 3 no PDB 1BSR . "Bovine Seminal Ribonuclease Structure At 1.9 Angstroms Resolution" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 4 no PDB 1N1X . "Crystal Structure Analysis Of The Monomeric [s- Carboxyamidomethyl-Cys31, S-Carboxyamidomethyl-Cys32] Bovine Seminal Ribonuclea" . . . . . 100.00 124 97.58 98.39 2.93e-82 . . . . 17762 1 5 no PDB 1N3Z . "Crystal Structure Of The [s-Carboxyamidomethyl-Cys31, S- Carboxyamidomethyl-Cys32] Monomeric Derivative Of The Bovine Seminal R" . . . . . 100.00 124 97.58 98.39 2.93e-82 . . . . 17762 1 6 no PDB 1QWQ . "Solution Structure Of The Monomeric N67d Mutant Of Bovine Seminal Ribonuclease" . . . . . 100.00 124 100.00 100.00 3.19e-85 . . . . 17762 1 7 no PDB 1R3M . "Crystal Structure Of The Dimeric Unswapped Form Of Bovine Seminal Ribonuclease" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 8 no PDB 1R5C . "X-Ray Structure Of The Complex Of Bovine Seminal Ribonuclease Swapping Dimer With D(Cpa)" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 9 no PDB 1R5D . "X-Ray Structure Of Bovine Seminal Ribonuclease Swapping Dimer From A New Crystal Form" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 10 no PDB 1TQ9 . "Non-Covalent Swapped Dimer Of Bovine Seminal Ribonuclease In Complex With 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'- Monophospha" . . . . . 100.00 124 97.58 98.39 2.93e-82 . . . . 17762 1 11 no PDB 1Y92 . "Crystal Structure Of The P19aN67D VARIANT OF BOVINE Seminal Ribonuclease" . . . . . 100.00 124 99.19 99.19 3.52e-84 . . . . 17762 1 12 no PDB 2LFJ . "Solution Structure Of The Monomeric Derivative Of Bs-Rnase" . . . . . 100.00 124 100.00 100.00 3.19e-85 . . . . 17762 1 13 no PDB 3BCM . "Crystal Structure Of The Unswapped Form Of P19aL28QN67D Bs-Rnase" . . . . . 100.00 124 98.39 98.39 4.79e-83 . . . . 17762 1 14 no PDB 3BCO . "Crystal Structure Of The Swapped Form Of P19aL28QN67D BS- Rnase" . . . . . 100.00 124 98.39 98.39 4.79e-83 . . . . 17762 1 15 no PDB 3DJO . "Bovine Seminal Ribonuclease Uridine 2' Phosphate Complex" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 16 no PDB 3DJP . "Bovine Seminal Ribonuclease- Uridine 3' Phosphate Complex" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 17 no PDB 3DJQ . "Bovine Seminal Ribonuclease- Uridine 5' Diphosphate Complex" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 18 no PDB 3DJV . "Bovine Seminal Ribonuclease- Cytidine 3' Phosphate Complex" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 19 no PDB 3DJX . "Bovine Seminal Ribonuclease- Cytidine 5' Phosphate Complex" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 20 no EMBL CAA04155 . "seminal ribonuclease [Bos taurus]" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 1 21 no EMBL CAA26832 . "seminal RNase (aa 47-124) [Bos taurus]" . . . . . 62.90 78 98.72 100.00 1.62e-47 . . . . 17762 1 22 no EMBL CAA35716 . "seminal ribonuclease [Bos taurus]" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 1 23 no GB AAB27820 . "bovine seminal ribonuclease [synthetic construct]" . . . . . 100.00 125 99.19 100.00 1.71e-84 . . . . 17762 1 24 no GB AAB36140 . "seminal ribonuclease, partial [Bos taurus]" . . . . . 100.00 124 99.19 100.00 1.57e-84 . . . . 17762 1 25 no GB ELR52955 . "Seminal ribonuclease [Bos mutus]" . . . . . 99.19 150 99.19 100.00 1.26e-84 . . . . 17762 1 26 no REF NP_861526 . "seminal ribonuclease precursor [Bos taurus]" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 1 27 no REF XP_005211518 . "PREDICTED: seminal ribonuclease isoform X1 [Bos taurus]" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 1 28 no REF XP_005900636 . "PREDICTED: seminal ribonuclease [Bos mutus]" . . . . . 99.19 150 99.19 100.00 1.26e-84 . . . . 17762 1 29 no REF XP_010837733 . "PREDICTED: seminal ribonuclease [Bison bison bison]" . . . . . 100.00 150 97.58 100.00 1.06e-83 . . . . 17762 1 30 no SP P00669 . "RecName: Full=Seminal ribonuclease; Short=S-RNase; Short=Seminal RNase; AltName: Full=Ribonuclease BS-1; Flags: Precursor" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 1 31 no TPE CDG32087 . "TPA: ribonuclease A C1 [Bos taurus]" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 1 32 no TPG DAA25468 . "TPA: seminal ribonuclease precursor [Bos taurus]" . . . . . 100.00 150 99.19 100.00 3.33e-85 . . . . 17762 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 . LYS . 17762 1 2 . GLU . 17762 1 3 . SER . 17762 1 4 . ALA . 17762 1 5 . ALA . 17762 1 6 . ALA . 17762 1 7 . LYS . 17762 1 8 . PHE . 17762 1 9 . GLU . 17762 1 10 . ARG . 17762 1 11 . GLN . 17762 1 12 . HIS . 17762 1 13 . MET . 17762 1 14 . ASP . 17762 1 15 . SER . 17762 1 16 . GLY . 17762 1 17 . ASN . 17762 1 18 . SER . 17762 1 19 . PRO . 17762 1 20 . SER . 17762 1 21 . SER . 17762 1 22 . SER . 17762 1 23 . SER . 17762 1 24 . ASN . 17762 1 25 . TYR . 17762 1 26 . CYS . 17762 1 27 . ASN . 17762 1 28 . LEU . 17762 1 29 . MET . 17762 1 30 . MET . 17762 1 31 . CYS . 17762 1 32 . CYS . 17762 1 33 . ARG . 17762 1 34 . LYS . 17762 1 35 . MET . 17762 1 36 . THR . 17762 1 37 . GLN . 17762 1 38 . GLY . 17762 1 39 . LYS . 17762 1 40 . CYS . 17762 1 41 . LYS . 17762 1 42 . PRO . 17762 1 43 . VAL . 17762 1 44 . ASN . 17762 1 45 . THR . 17762 1 46 . PHE . 17762 1 47 . VAL . 17762 1 48 . HIS . 17762 1 49 . GLU . 17762 1 50 . SER . 17762 1 51 . LEU . 17762 1 52 . ALA . 17762 1 53 . ASP . 17762 1 54 . VAL . 17762 1 55 . LYS . 17762 1 56 . ALA . 17762 1 57 . VAL . 17762 1 58 . CYS . 17762 1 59 . SER . 17762 1 60 . GLN . 17762 1 61 . LYS . 17762 1 62 . LYS . 17762 1 63 . VAL . 17762 1 64 . THR . 17762 1 65 . CYS . 17762 1 66 . LYS . 17762 1 67 . ASP . 17762 1 68 . GLY . 17762 1 69 . GLN . 17762 1 70 . THR . 17762 1 71 . ASN . 17762 1 72 . CYS . 17762 1 73 . TYR . 17762 1 74 . GLN . 17762 1 75 . SER . 17762 1 76 . LYS . 17762 1 77 . SER . 17762 1 78 . THR . 17762 1 79 . MET . 17762 1 80 . ARG . 17762 1 81 . ILE . 17762 1 82 . THR . 17762 1 83 . ASP . 17762 1 84 . CYS . 17762 1 85 . ARG . 17762 1 86 . GLU . 17762 1 87 . THR . 17762 1 88 . GLY . 17762 1 89 . SER . 17762 1 90 . SER . 17762 1 91 . LYS . 17762 1 92 . TYR . 17762 1 93 . PRO . 17762 1 94 . ASN . 17762 1 95 . CYS . 17762 1 96 . ALA . 17762 1 97 . TYR . 17762 1 98 . LYS . 17762 1 99 . THR . 17762 1 100 . THR . 17762 1 101 . GLN . 17762 1 102 . VAL . 17762 1 103 . GLU . 17762 1 104 . LYS . 17762 1 105 . HIS . 17762 1 106 . ILE . 17762 1 107 . ILE . 17762 1 108 . VAL . 17762 1 109 . ALA . 17762 1 110 . CYS . 17762 1 111 . GLY . 17762 1 112 . GLY . 17762 1 113 . LYS . 17762 1 114 . PRO . 17762 1 115 . SER . 17762 1 116 . VAL . 17762 1 117 . PRO . 17762 1 118 . VAL . 17762 1 119 . HIS . 17762 1 120 . PHE . 17762 1 121 . ASP . 17762 1 122 . ALA . 17762 1 123 . SER . 17762 1 124 . VAL . 17762 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 17762 1 . GLU 2 2 17762 1 . SER 3 3 17762 1 . ALA 4 4 17762 1 . ALA 5 5 17762 1 . ALA 6 6 17762 1 . LYS 7 7 17762 1 . PHE 8 8 17762 1 . GLU 9 9 17762 1 . ARG 10 10 17762 1 . GLN 11 11 17762 1 . HIS 12 12 17762 1 . MET 13 13 17762 1 . ASP 14 14 17762 1 . SER 15 15 17762 1 . GLY 16 16 17762 1 . ASN 17 17 17762 1 . SER 18 18 17762 1 . PRO 19 19 17762 1 . SER 20 20 17762 1 . SER 21 21 17762 1 . SER 22 22 17762 1 . SER 23 23 17762 1 . ASN 24 24 17762 1 . TYR 25 25 17762 1 . CYS 26 26 17762 1 . ASN 27 27 17762 1 . LEU 28 28 17762 1 . MET 29 29 17762 1 . MET 30 30 17762 1 . CYS 31 31 17762 1 . CYS 32 32 17762 1 . ARG 33 33 17762 1 . LYS 34 34 17762 1 . MET 35 35 17762 1 . THR 36 36 17762 1 . GLN 37 37 17762 1 . GLY 38 38 17762 1 . LYS 39 39 17762 1 . CYS 40 40 17762 1 . LYS 41 41 17762 1 . PRO 42 42 17762 1 . VAL 43 43 17762 1 . ASN 44 44 17762 1 . THR 45 45 17762 1 . PHE 46 46 17762 1 . VAL 47 47 17762 1 . HIS 48 48 17762 1 . GLU 49 49 17762 1 . SER 50 50 17762 1 . LEU 51 51 17762 1 . ALA 52 52 17762 1 . ASP 53 53 17762 1 . VAL 54 54 17762 1 . LYS 55 55 17762 1 . ALA 56 56 17762 1 . VAL 57 57 17762 1 . CYS 58 58 17762 1 . SER 59 59 17762 1 . GLN 60 60 17762 1 . LYS 61 61 17762 1 . LYS 62 62 17762 1 . VAL 63 63 17762 1 . THR 64 64 17762 1 . CYS 65 65 17762 1 . LYS 66 66 17762 1 . ASP 67 67 17762 1 . GLY 68 68 17762 1 . GLN 69 69 17762 1 . THR 70 70 17762 1 . ASN 71 71 17762 1 . CYS 72 72 17762 1 . TYR 73 73 17762 1 . GLN 74 74 17762 1 . SER 75 75 17762 1 . LYS 76 76 17762 1 . SER 77 77 17762 1 . THR 78 78 17762 1 . MET 79 79 17762 1 . ARG 80 80 17762 1 . ILE 81 81 17762 1 . THR 82 82 17762 1 . ASP 83 83 17762 1 . CYS 84 84 17762 1 . ARG 85 85 17762 1 . GLU 86 86 17762 1 . THR 87 87 17762 1 . GLY 88 88 17762 1 . SER 89 89 17762 1 . SER 90 90 17762 1 . LYS 91 91 17762 1 . TYR 92 92 17762 1 . PRO 93 93 17762 1 . ASN 94 94 17762 1 . CYS 95 95 17762 1 . ALA 96 96 17762 1 . TYR 97 97 17762 1 . LYS 98 98 17762 1 . THR 99 99 17762 1 . THR 100 100 17762 1 . GLN 101 101 17762 1 . VAL 102 102 17762 1 . GLU 103 103 17762 1 . LYS 104 104 17762 1 . HIS 105 105 17762 1 . ILE 106 106 17762 1 . ILE 107 107 17762 1 . VAL 108 108 17762 1 . ALA 109 109 17762 1 . CYS 110 110 17762 1 . GLY 111 111 17762 1 . GLY 112 112 17762 1 . LYS 113 113 17762 1 . PRO 114 114 17762 1 . SER 115 115 17762 1 . VAL 116 116 17762 1 . PRO 117 117 17762 1 . VAL 118 118 17762 1 . HIS 119 119 17762 1 . PHE 120 120 17762 1 . ASP 121 121 17762 1 . ALA 122 122 17762 1 . SER 123 123 17762 1 . VAL 124 124 17762 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17762 _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 $mBS . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 17762 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 17762 _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 $mBS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b(+) . . . . . . 17762 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17762 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mBS '[U-100% 13C; U-100% 15N]' . . 1 $mBS . . 1 . . mM . . . . 17762 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17762 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17762 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17762 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mBS '[U-100% 15N]' . . 1 $mBS . . 1 . . mM . . . . 17762 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17762 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17762 2 stop_ save_ ####################### # Sample conditions # ####################### save_comditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode comditions_1 _Sample_condition_list.Entry_ID 17762 _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 5.8 . pH 17762 1 temperature 300 . K 17762 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17762 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17762 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17762 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17762 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17762 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17762 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17762 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17762 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17762 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17762 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17762 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17762 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17762 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17762 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17762 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17762 1 2 spectrometer_2 Bruker Avance . 750 . . . 17762 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 17762 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $comditions_1 . . . . . . . . . . . . . . . . . . . . . 17762 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17762 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17762 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17762 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17762 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17762 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $comditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 17762 1 2 '3D HNCA' . . . 17762 1 3 '3D HNCACB' . . . 17762 1 4 '3D CBCA(CO)NH' . . . 17762 1 5 '3D HCCH-TOCSY' . . . 17762 1 7 '3D 1H-15N NOESY' . . . 17762 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS CA C 13 53.873 0.000 . 1 . . . A 1 LYS CA . 17762 1 2 . 1 1 1 1 LYS CB C 13 29.878 0.000 . 1 . . . A 1 LYS CB . 17762 1 3 . 1 1 2 2 GLU H H 1 8.448 0.000 . 1 . . . A 2 GLU H . 17762 1 4 . 1 1 2 2 GLU HA H 1 4.370 0.000 . 1 . . . A 2 GLU HA . 17762 1 5 . 1 1 2 2 GLU HB2 H 1 2.090 0.000 . 2 . . . . 2 Glu HB2 . 17762 1 6 . 1 1 2 2 GLU HG2 H 1 2.430 0.000 . 2 . . . . 2 Glu HG2 . 17762 1 7 . 1 1 2 2 GLU CA C 13 53.440 0.000 . 1 . . . A 2 GLU CA . 17762 1 8 . 1 1 2 2 GLU CB C 13 29.147 0.000 . 1 . . . A 2 GLU CB . 17762 1 9 . 1 1 2 2 GLU CG C 13 34.123 0.000 . 1 . . . A 2 GLU CG . 17762 1 10 . 1 1 2 2 GLU N N 15 126.119 0.000 . 1 . . . A 2 GLU N . 17762 1 11 . 1 1 3 3 SER H H 1 8.755 0.000 . 1 . . . A 3 SER H . 17762 1 12 . 1 1 3 3 SER HA H 1 4.500 0.000 . 1 . . . A 3 SER HA . 17762 1 13 . 1 1 3 3 SER HB2 H 1 4.418 0.000 . 2 . . . . 3 Ser HB2 . 17762 1 14 . 1 1 3 3 SER CA C 13 54.907 0.000 . 1 . . . A 3 SER CA . 17762 1 15 . 1 1 3 3 SER CB C 13 62.511 0.000 . 1 . . . A 3 SER CB . 17762 1 16 . 1 1 3 3 SER N N 15 124.530 0.000 . 1 . . . A 3 SER N . 17762 1 17 . 1 1 4 4 ALA H H 1 8.961 0.000 . 1 . . . A 4 ALA H . 17762 1 18 . 1 1 4 4 ALA HA H 1 4.216 0.000 . 1 . . . A 4 ALA HA . 17762 1 19 . 1 1 4 4 ALA HB1 H 1 1.594 0.000 . 1 . . . A 4 ALA HB1 . 17762 1 20 . 1 1 4 4 ALA HB2 H 1 1.594 0.000 . 1 . . . A 4 ALA HB2 . 17762 1 21 . 1 1 4 4 ALA HB3 H 1 1.594 0.000 . 1 . . . A 4 ALA HB3 . 17762 1 22 . 1 1 4 4 ALA CA C 13 52.858 0.000 . 1 . . . A 4 ALA CA . 17762 1 23 . 1 1 4 4 ALA CB C 13 15.389 0.000 . 1 . . . A 4 ALA CB . 17762 1 24 . 1 1 4 4 ALA N N 15 125.341 0.000 . 1 . . . A 4 ALA N . 17762 1 25 . 1 1 5 5 ALA H H 1 8.659 0.000 . 1 . . . A 5 ALA H . 17762 1 26 . 1 1 5 5 ALA HA H 1 4.375 0.000 . 1 . . . A 5 ALA HA . 17762 1 27 . 1 1 5 5 ALA HB1 H 1 1.475 0.000 . 1 . . . A 5 ALA HB1 . 17762 1 28 . 1 1 5 5 ALA HB2 H 1 1.475 0.000 . 1 . . . A 5 ALA HB2 . 17762 1 29 . 1 1 5 5 ALA HB3 H 1 1.475 0.000 . 1 . . . A 5 ALA HB3 . 17762 1 30 . 1 1 5 5 ALA CA C 13 52.565 0.000 . 1 . . . A 5 ALA CA . 17762 1 31 . 1 1 5 5 ALA CB C 13 15.974 0.000 . 1 . . . A 5 ALA CB . 17762 1 32 . 1 1 5 5 ALA N N 15 121.896 0.000 . 1 . . . A 5 ALA N . 17762 1 33 . 1 1 6 6 ALA H H 1 8.009 0.000 . 1 . . . A 6 ALA H . 17762 1 34 . 1 1 6 6 ALA HA H 1 4.216 0.000 . 1 . . . A 6 ALA HA . 17762 1 35 . 1 1 6 6 ALA HB1 H 1 1.594 0.000 . 1 . . . A 6 ALA HB1 . 17762 1 36 . 1 1 6 6 ALA HB2 H 1 1.594 0.000 . 1 . . . A 6 ALA HB2 . 17762 1 37 . 1 1 6 6 ALA HB3 H 1 1.594 0.000 . 1 . . . A 6 ALA HB3 . 17762 1 38 . 1 1 6 6 ALA CA C 13 52.272 0.000 . 1 . . . A 6 ALA CA . 17762 1 39 . 1 1 6 6 ALA CB C 13 15.389 0.000 . 1 . . . A 6 ALA CB . 17762 1 40 . 1 1 6 6 ALA N N 15 123.734 0.000 . 1 . . . A 6 ALA N . 17762 1 41 . 1 1 7 7 LYS H H 1 8.737 0.000 . 1 . . . A 7 LYS H . 17762 1 42 . 1 1 7 7 LYS HA H 1 4.025 0.000 . 1 . . . A 7 LYS HA . 17762 1 43 . 1 1 7 7 LYS HB2 H 1 2.003 0.000 . 2 . . . . 7 Lys HB2 . 17762 1 44 . 1 1 7 7 LYS HG2 H 1 1.427 0.000 . 2 . . . A 7 LYS HG2 . 17762 1 45 . 1 1 7 7 LYS HD2 H 1 1.740 0.000 . 1 . . . . 7 Lys HD2 . 17762 1 46 . 1 1 7 7 LYS HE2 H 1 3.007 0.000 . 1 . . . A 7 LYS HE2 . 17762 1 47 . 1 1 7 7 LYS CA C 13 57.834 0.000 . 1 . . . A 7 LYS CA . 17762 1 48 . 1 1 7 7 LYS CB C 13 29.732 0.000 . 1 . . . A 7 LYS CB . 17762 1 49 . 1 1 7 7 LYS CG C 13 22.414 0.000 . 1 . . . A 7 LYS CG . 17762 1 50 . 1 1 7 7 LYS CD C 13 27.098 0.000 . 1 . . . A 7 LYS CD . 17762 1 51 . 1 1 7 7 LYS N N 15 123.118 0.000 . 1 . . . A 7 LYS N . 17762 1 52 . 1 1 8 8 PHE H H 1 8.058 0.000 . 1 . . . A 8 PHE H . 17762 1 53 . 1 1 8 8 PHE HA H 1 4.388 0.000 . 1 . . . A 8 PHE HA . 17762 1 54 . 1 1 8 8 PHE HB2 H 1 3.486 0.000 . 2 . . . . 8 Phe HB2 . 17762 1 55 . 1 1 8 8 PHE HD1 H 1 6.977 0.000 . 3 . . . A 8 PHE HD1 . 17762 1 56 . 1 1 8 8 PHE HD2 H 1 6.977 0.000 . 3 . . . A 8 PHE HD2 . 17762 1 57 . 1 1 8 8 PHE HE1 H 1 6.833 0.000 . 3 . . . A 8 PHE HE1 . 17762 1 58 . 1 1 8 8 PHE HE2 H 1 6.833 0.000 . 3 . . . A 8 PHE HE2 . 17762 1 59 . 1 1 8 8 PHE HZ H 1 6.999 0.000 . 1 . . . A 8 PHE HZ . 17762 1 60 . 1 1 8 8 PHE CA C 13 59.298 0.000 . 1 . . . A 8 PHE CA . 17762 1 61 . 1 1 8 8 PHE CB C 13 36.465 0.000 . 1 . . . A 8 PHE CB . 17762 1 62 . 1 1 8 8 PHE N N 15 120.604 0.000 . 1 . . . A 8 PHE N . 17762 1 63 . 1 1 9 9 GLU H H 1 7.922 0.000 . 1 . . . A 9 GLU H . 17762 1 64 . 1 1 9 9 GLU HA H 1 3.742 0.000 . 1 . . . A 9 GLU HA . 17762 1 65 . 1 1 9 9 GLU HB2 H 1 2.736 0.000 . 2 . . . . 9 Glu HB2 . 17762 1 66 . 1 1 9 9 GLU HG2 H 1 2.190 0.000 . 1 . . . A 9 GLU HG2 . 17762 1 67 . 1 1 9 9 GLU CA C 13 58.127 0.000 . 1 . . . A 9 GLU CA . 17762 1 68 . 1 1 9 9 GLU CB C 13 35.001 0.000 . 1 . . . A 9 GLU CB . 17762 1 69 . 1 1 9 9 GLU CG C 13 27.090 0.000 . 1 . . . A 9 GLU CG . 17762 1 70 . 1 1 9 9 GLU N N 15 119.978 0.000 . 1 . . . A 9 GLU N . 17762 1 71 . 1 1 10 10 ARG H H 1 8.323 0.000 . 1 . . . A 10 ARG H . 17762 1 72 . 1 1 10 10 ARG HA H 1 4.197 0.000 . 1 . . . A 10 ARG HA . 17762 1 73 . 1 1 10 10 ARG HB2 H 1 2.003 0.000 . 2 . . . . 10 Arg HB2 . 17762 1 74 . 1 1 10 10 ARG HG2 H 1 1.857 0.000 . 2 . . . A 10 ARG HG2 . 17762 1 75 . 1 1 10 10 ARG HD2 H 1 3.227 0.000 . 2 . . . . 10 Arg HD2 . 17762 1 76 . 1 1 10 10 ARG HE H 1 9.679 0.000 . 1 . . . A 10 ARG HE . 17762 1 77 . 1 1 10 10 ARG CA C 13 56.663 0.000 . 1 . . . A 10 ARG CA . 17762 1 78 . 1 1 10 10 ARG CB C 13 27.683 0.000 . 1 . . . A 10 ARG CB . 17762 1 79 . 1 1 10 10 ARG CG C 13 29.440 0.000 . 1 . . . A 10 ARG CG . 17762 1 80 . 1 1 10 10 ARG CD C 13 40.563 0.000 . 1 . . . A 10 ARG CD . 17762 1 81 . 1 1 10 10 ARG N N 15 120.914 0.000 . 1 . . . A 10 ARG N . 17762 1 82 . 1 1 10 10 ARG NE N 15 113.575 0.000 . 1 . . . A 10 ARG NE . 17762 1 83 . 1 1 11 11 GLN H H 1 8.425 0.000 . 1 . . . A 11 GLN H . 17762 1 84 . 1 1 11 11 GLN HA H 1 3.787 0.000 . 1 . . . A 11 GLN HA . 17762 1 85 . 1 1 11 11 GLN HB2 H 1 1.323 0.000 . 2 . . . . 11 Gln HB2 . 17762 1 86 . 1 1 11 11 GLN HG2 H 1 2.045 0.000 . 2 . . . A 11 GLN HG2 . 17762 1 87 . 1 1 11 11 GLN HE21 H 1 7.216 0.000 . 1 . . . A 11 GLN HE21 . 17762 1 88 . 1 1 11 11 GLN HE22 H 1 6.732 0.000 . 1 . . . A 11 GLN HE22 . 17762 1 89 . 1 1 11 11 GLN CA C 13 55.492 0.000 . 1 . . . A 11 GLN CA . 17762 1 90 . 1 1 11 11 GLN CB C 13 26.805 0.000 . 1 . . . A 11 GLN CB . 17762 1 91 . 1 1 11 11 GLN CG C 13 33.245 0.000 . 1 . . . A 11 GLN CG . 17762 1 92 . 1 1 11 11 GLN N N 15 112.201 0.000 . 1 . . . A 11 GLN N . 17762 1 93 . 1 1 11 11 GLN NE2 N 15 112.253 0.000 . 1 . . . A 11 GLN NE2 . 17762 1 94 . 1 1 12 12 HIS H H 1 7.708 0.000 . 1 . . . A 12 HIS H . 17762 1 95 . 1 1 12 12 HIS HA H 1 4.943 0.000 . 1 . . . A 12 HIS HA . 17762 1 96 . 1 1 12 12 HIS HB2 H 1 2.528 0.000 . 2 . . . . 12 His HB2 . 17762 1 97 . 1 1 12 12 HIS HD2 H 1 7.379 0.000 . 1 . . . A 12 HIS HD2 . 17762 1 98 . 1 1 12 12 HIS HE1 H 1 6.562 0.000 . 1 . . . A 12 HIS HE1 . 17762 1 99 . 1 1 12 12 HIS CA C 13 52.272 0.000 . 1 . . . A 12 HIS CA . 17762 1 100 . 1 1 12 12 HIS CB C 13 27.680 0.000 . 1 . . . A 12 HIS CB . 17762 1 101 . 1 1 12 12 HIS N N 15 106.607 0.000 . 1 . . . A 12 HIS N . 17762 1 102 . 1 1 13 13 MET H H 1 8.037 0.000 . 1 . . . A 13 MET H . 17762 1 103 . 1 1 13 13 MET HA H 1 5.460 0.000 . 1 . . . A 13 MET HA . 17762 1 104 . 1 1 13 13 MET HB2 H 1 2.792 0.000 . 2 . . . . 13 Met HB2 . 17762 1 105 . 1 1 13 13 MET HG2 H 1 2.954 0.000 . 2 . . . A 13 MET HG2 . 17762 1 106 . 1 1 13 13 MET HE1 H 1 1.943 0.000 . 1 . . . A 13 MET HE1 . 17762 1 107 . 1 1 13 13 MET HE2 H 1 1.943 0.000 . 1 . . . A 13 MET HE2 . 17762 1 108 . 1 1 13 13 MET HE3 H 1 1.943 0.000 . 1 . . . A 13 MET HE3 . 17762 1 109 . 1 1 13 13 MET CA C 13 50.516 0.000 . 1 . . . A 13 MET CA . 17762 1 110 . 1 1 13 13 MET CB C 13 27.098 0.000 . 1 . . . A 13 MET CB . 17762 1 111 . 1 1 13 13 MET CG C 13 28.561 0.000 . 1 . . . A 13 MET CG . 17762 1 112 . 1 1 13 13 MET N N 15 117.217 0.000 . 1 . . . A 13 MET N . 17762 1 113 . 1 1 14 14 ASP H H 1 8.805 0.000 . 1 . . . A 14 ASP H . 17762 1 114 . 1 1 14 14 ASP HA H 1 5.024 0.000 . 1 . . . A 14 ASP HA . 17762 1 115 . 1 1 14 14 ASP HB2 H 1 2.398 0.000 . 2 . . . . 14 Asp HB2 . 17762 1 116 . 1 1 14 14 ASP CA C 13 51.101 0.000 . 1 . . . A 14 ASP CA . 17762 1 117 . 1 1 14 14 ASP CB C 13 37.636 0.000 . 1 . . . A 14 ASP CB . 17762 1 118 . 1 1 14 14 ASP N N 15 123.910 0.000 . 1 . . . A 14 ASP N . 17762 1 119 . 1 1 15 15 SER H H 1 8.943 0.000 . 1 . . . A 15 SER H . 17762 1 120 . 1 1 15 15 SER HA H 1 4.202 0.000 . 1 . . . A 15 SER HA . 17762 1 121 . 1 1 15 15 SER HB2 H 1 3.718 0.000 . 2 . . . A 15 SER HB2 . 17762 1 122 . 1 1 15 15 SER CA C 13 58.127 0.000 . 1 . . . A 15 SER CA . 17762 1 123 . 1 1 15 15 SER CB C 13 61.347 0.000 . 1 . . . A 15 SER CB . 17762 1 124 . 1 1 15 15 SER N N 15 121.832 0.000 . 1 . . . A 15 SER N . 17762 1 125 . 1 1 16 16 GLY H H 1 8.586 0.000 . 1 . . . A 16 GLY H . 17762 1 126 . 1 1 16 16 GLY HA2 H 1 4.123 0.000 . 2 . . . . 16 Gly HA2 . 17762 1 127 . 1 1 16 16 GLY CA C 13 42.905 0.000 . 1 . . . A 16 GLY CA . 17762 1 128 . 1 1 16 16 GLY N N 15 111.703 0.000 . 1 . . . A 16 GLY N . 17762 1 129 . 1 1 17 17 ASN H H 1 7.983 0.000 . 1 . . . A 17 ASN H . 17762 1 130 . 1 1 17 17 ASN HA H 1 4.660 0.000 . 1 . . . A 17 ASN HA . 17762 1 131 . 1 1 17 17 ASN HB2 H 1 2.650 0.000 . 2 . . . . 17 Asn HB2 . 17762 1 132 . 1 1 17 17 ASN HD21 H 1 7.802 0.000 . 1 . . . A 17 ASN HD21 . 17762 1 133 . 1 1 17 17 ASN HD22 H 1 6.779 0.000 . 1 . . . A 17 ASN HD22 . 17762 1 134 . 1 1 17 17 ASN CA C 13 50.223 0.000 . 1 . . . A 17 ASN CA . 17762 1 135 . 1 1 17 17 ASN CB C 13 37.346 0.000 . 1 . . . A 17 ASN CB . 17762 1 136 . 1 1 17 17 ASN N N 15 119.334 0.000 . 1 . . . A 17 ASN N . 17762 1 137 . 1 1 17 17 ASN ND2 N 15 114.536 0.000 . 1 . . . A 17 ASN ND2 . 17762 1 138 . 1 1 18 18 SER H H 1 8.291 0.000 . 1 . . . A 18 SER H . 17762 1 139 . 1 1 18 18 SER HA H 1 4.187 0.000 . 1 . . . A 18 SER HA . 17762 1 140 . 1 1 18 18 SER HB2 H 1 3.624 0.000 . 1 . . . A 18 SER HB2 . 17762 1 141 . 1 1 18 18 SER CA C 13 53.443 0.000 . 1 . . . A 18 SER CA . 17762 1 142 . 1 1 18 18 SER CB C 13 60.468 0.000 . 1 . . . A 18 SER CB . 17762 1 143 . 1 1 18 18 SER N N 15 117.557 0.000 . 1 . . . A 18 SER N . 17762 1 144 . 1 1 19 19 PRO HA H 1 4.204 0.000 . 1 . . . A 19 PRO HA . 17762 1 145 . 1 1 19 19 PRO HB2 H 1 1.859 0.000 . 2 . . . . 19 Pro HB2 . 17762 1 146 . 1 1 19 19 PRO HG2 H 1 1.145 0.000 . 2 . . . A 19 PRO HG2 . 17762 1 147 . 1 1 19 19 PRO HD2 H 1 3.170 0.000 . 2 . . . . 19 Pro HD2 . 17762 1 148 . 1 1 19 19 PRO CA C 13 60.468 0.000 . 1 . . . A 19 PRO CA . 17762 1 149 . 1 1 19 19 PRO CB C 13 29.147 0.000 . 1 . . . A 19 PRO CB . 17762 1 150 . 1 1 19 19 PRO CG C 13 24.171 0.000 . 1 . . . A 19 PRO CG . 17762 1 151 . 1 1 19 19 PRO CD C 13 47.880 0.000 . 1 . . . A 19 PRO CD . 17762 1 152 . 1 1 20 20 SER H H 1 8.118 0.000 . 1 . . . A 20 SER H . 17762 1 153 . 1 1 20 20 SER HA H 1 4.370 0.000 . 1 . . . A 20 SER HA . 17762 1 154 . 1 1 20 20 SER HB2 H 1 3.667 0.000 . 2 . . . A 20 SER HB2 . 17762 1 155 . 1 1 20 20 SER CA C 13 54.907 0.000 . 1 . . . A 20 SER CA . 17762 1 156 . 1 1 20 20 SER CB C 13 61.347 0.000 . 1 . . . A 20 SER CB . 17762 1 157 . 1 1 20 20 SER N N 15 115.589 0.000 . 1 . . . A 20 SER N . 17762 1 158 . 1 1 21 21 SER H H 1 8.406 0.000 . 1 . . . A 21 SER H . 17762 1 159 . 1 1 21 21 SER HA H 1 4.398 0.000 . 1 . . . A 21 SER HA . 17762 1 160 . 1 1 21 21 SER HB2 H 1 3.928 0.000 . 1 . . . A 21 SER HB2 . 17762 1 161 . 1 1 21 21 SER CA C 13 56.370 0.000 . 1 . . . A 21 SER CA . 17762 1 162 . 1 1 21 21 SER CB C 13 61.639 0.000 . 1 . . . A 21 SER CB . 17762 1 163 . 1 1 21 21 SER N N 15 118.787 0.000 . 1 . . . A 21 SER N . 17762 1 164 . 1 1 22 22 SER H H 1 8.278 0.000 . 1 . . . A 22 SER H . 17762 1 165 . 1 1 22 22 SER HA H 1 4.579 0.000 . 1 . . . A 22 SER HA . 17762 1 166 . 1 1 22 22 SER HB2 H 1 4.017 0.000 . 2 . . . . 22 Ser HB2 . 17762 1 167 . 1 1 22 22 SER CA C 13 56.076 0.000 . 1 . . . A 22 SER CA . 17762 1 168 . 1 1 22 22 SER CB C 13 61.054 0.000 . 1 . . . A 22 SER CB . 17762 1 169 . 1 1 22 22 SER N N 15 116.967 0.000 . 1 . . . A 22 SER N . 17762 1 170 . 1 1 23 23 SER H H 1 8.376 0.000 . 1 . . . A 23 SER H . 17762 1 171 . 1 1 23 23 SER HA H 1 4.520 0.000 . 1 . . . A 23 SER HA . 17762 1 172 . 1 1 23 23 SER HB2 H 1 3.973 0.000 . 2 . . . A 23 SER HB2 . 17762 1 173 . 1 1 23 23 SER CA C 13 57.956 0.000 . 1 . . . A 23 SER CA . 17762 1 174 . 1 1 23 23 SER CB C 13 61.639 0.000 . 1 . . . A 23 SER CB . 17762 1 175 . 1 1 23 23 SER N N 15 119.166 0.000 . 1 . . . A 23 SER N . 17762 1 176 . 1 1 24 24 ASN H H 1 8.483 0.000 . 1 . . . A 24 ASN H . 17762 1 177 . 1 1 24 24 ASN HA H 1 4.940 0.000 . 1 . . . A 24 ASN HA . 17762 1 178 . 1 1 24 24 ASN HB2 H 1 2.766 0.000 . 2 . . . A 24 ASN HB2 . 17762 1 179 . 1 1 24 24 ASN HD21 H 1 7.664 0.000 . 1 . . . A 24 ASN HD21 . 17762 1 180 . 1 1 24 24 ASN HD22 H 1 7.184 0.000 . 1 . . . A 24 ASN HD22 . 17762 1 181 . 1 1 24 24 ASN CA C 13 50.516 0.000 . 1 . . . A 24 ASN CA . 17762 1 182 . 1 1 24 24 ASN CB C 13 36.758 0.000 . 1 . . . A 24 ASN CB . 17762 1 183 . 1 1 24 24 ASN N N 15 120.511 0.000 . 1 . . . A 24 ASN N . 17762 1 184 . 1 1 25 25 TYR H H 1 7.765 0.000 . 1 . . . A 25 TYR H . 17762 1 185 . 1 1 25 25 TYR HA H 1 3.941 0.000 . 1 . . . A 25 TYR HA . 17762 1 186 . 1 1 25 25 TYR HB2 H 1 2.766 0.000 . 2 . . . A 25 TYR HB2 . 17762 1 187 . 1 1 25 25 TYR HD1 H 1 6.960 0.000 . 3 . . . A 25 TYR HD1 . 17762 1 188 . 1 1 25 25 TYR HD2 H 1 6.960 0.000 . 3 . . . A 25 TYR HD2 . 17762 1 189 . 1 1 25 25 TYR HE1 H 1 6.381 0.000 . 3 . . . A 25 TYR HE1 . 17762 1 190 . 1 1 25 25 TYR HE2 H 1 6.381 0.000 . 3 . . . A 25 TYR HE2 . 17762 1 191 . 1 1 25 25 TYR HH H 1 9.126 0.000 . 1 . . . A 25 TYR HH . 17762 1 192 . 1 1 25 25 TYR CA C 13 59.883 0.000 . 1 . . . A 25 TYR CA . 17762 1 193 . 1 1 25 25 TYR CB C 13 36.465 0.000 . 1 . . . A 25 TYR CB . 17762 1 194 . 1 1 25 25 TYR N N 15 121.549 0.000 . 1 . . . A 25 TYR N . 17762 1 195 . 1 1 26 26 CYS H H 1 7.800 0.000 . 1 . . . A 26 CYS H . 17762 1 196 . 1 1 26 26 CYS HA H 1 3.784 0.000 . 1 . . . A 26 CYS HA . 17762 1 197 . 1 1 26 26 CYS HB2 H 1 2.135 0.000 . 2 . . . A 26 CYS HB2 . 17762 1 198 . 1 1 26 26 CYS CA C 13 59.005 0.000 . 1 . . . A 26 CYS CA . 17762 1 199 . 1 1 26 26 CYS CB C 13 37.636 0.000 . 1 . . . A 26 CYS CB . 17762 1 200 . 1 1 26 26 CYS N N 15 115.301 0.000 . 1 . . . A 26 CYS N . 17762 1 201 . 1 1 27 27 ASN H H 1 7.774 0.000 . 1 . . . A 27 ASN H . 17762 1 202 . 1 1 27 27 ASN HA H 1 4.376 0.000 . 1 . . . A 27 ASN HA . 17762 1 203 . 1 1 27 27 ASN HB2 H 1 2.840 0.000 . 2 . . . A 27 ASN HB2 . 17762 1 204 . 1 1 27 27 ASN HD21 H 1 7.630 0.000 . 1 . . . A 27 ASN HD21 . 17762 1 205 . 1 1 27 27 ASN HD22 H 1 6.949 0.000 . 1 . . . A 27 ASN HD22 . 17762 1 206 . 1 1 27 27 ASN CA C 13 53.736 0.000 . 1 . . . A 27 ASN CA . 17762 1 207 . 1 1 27 27 ASN CB C 13 34.416 0.000 . 1 . . . A 27 ASN CB . 17762 1 208 . 1 1 27 27 ASN N N 15 120.386 0.000 . 1 . . . A 27 ASN N . 17762 1 209 . 1 1 27 27 ASN ND2 N 15 110.203 0.000 . 1 . . . A 27 ASN ND2 . 17762 1 210 . 1 1 28 28 LEU H H 1 7.434 0.000 . 1 . . . A 28 LEU H . 17762 1 211 . 1 1 28 28 LEU HA H 1 4.085 0.000 . 1 . . . A 28 LEU HA . 17762 1 212 . 1 1 28 28 LEU HB2 H 1 1.533 0.000 . 2 . . . . 28 Leu HB2 . 17762 1 213 . 1 1 28 28 LEU HG H 1 1.377 0.000 . 1 . . . A 28 LEU HG . 17762 1 214 . 1 1 28 28 LEU HD11 H 1 0.760 0.000 . 1 . . . A 28 LEU HD11 . 17762 1 215 . 1 1 28 28 LEU HD12 H 1 0.760 0.000 . 1 . . . A 28 LEU HD12 . 17762 1 216 . 1 1 28 28 LEU HD13 H 1 0.760 0.000 . 1 . . . A 28 LEU HD13 . 17762 1 217 . 1 1 28 28 LEU HD21 H 1 0.760 0.000 . 1 . . . A 28 LEU HD21 . 17762 1 218 . 1 1 28 28 LEU HD22 H 1 0.760 0.000 . 1 . . . A 28 LEU HD22 . 17762 1 219 . 1 1 28 28 LEU HD23 H 1 0.760 0.000 . 1 . . . A 28 LEU HD23 . 17762 1 220 . 1 1 28 28 LEU CA C 13 55.199 0.000 . 1 . . . A 28 LEU CA . 17762 1 221 . 1 1 28 28 LEU CB C 13 39.978 0.000 . 1 . . . A 28 LEU CB . 17762 1 222 . 1 1 28 28 LEU CG C 13 24.171 0.000 . 1 . . . A 28 LEU CG . 17762 1 223 . 1 1 28 28 LEU CD1 C 13 21.536 0.000 . 1 . . . A 28 LEU CD1 . 17762 1 224 . 1 1 28 28 LEU CD2 C 13 21.536 0.000 . 1 . . . A 28 LEU CD2 . 17762 1 225 . 1 1 28 28 LEU N N 15 120.114 0.000 . 1 . . . A 28 LEU N . 17762 1 226 . 1 1 29 29 MET H H 1 8.474 0.000 . 1 . . . A 29 MET H . 17762 1 227 . 1 1 29 29 MET HA H 1 4.189 0.000 . 1 . . . A 29 MET HA . 17762 1 228 . 1 1 29 29 MET HB2 H 1 0.870 0.000 . 2 . . . . 29 Met HB2 . 17762 1 229 . 1 1 29 29 MET HG2 H 1 1.377 0.000 . 2 . . . A 29 MET HG2 . 17762 1 230 . 1 1 29 29 MET CA C 13 53.443 0.000 . 1 . . . A 29 MET CA . 17762 1 231 . 1 1 29 29 MET CB C 13 28.269 0.000 . 1 . . . A 29 MET CB . 17762 1 232 . 1 1 29 29 MET CG C 13 28.854 0.000 . 1 . . . A 29 MET CG . 17762 1 233 . 1 1 29 29 MET N N 15 118.101 0.000 . 1 . . . A 29 MET N . 17762 1 234 . 1 1 30 30 MET H H 1 8.672 0.000 . 1 . . . A 30 MET H . 17762 1 235 . 1 1 30 30 MET HA H 1 4.308 0.000 . 1 . . . A 30 MET HA . 17762 1 236 . 1 1 30 30 MET HB2 H 1 1.688 0.000 . 2 . . . . 30 Met HB2 . 17762 1 237 . 1 1 30 30 MET HG2 H 1 0.479 0.000 . 2 . . . A 30 MET HG2 . 17762 1 238 . 1 1 30 30 MET CA C 13 54.614 0.000 . 1 . . . A 30 MET CA . 17762 1 239 . 1 1 30 30 MET CB C 13 27.098 0.000 . 1 . . . A 30 MET CB . 17762 1 240 . 1 1 30 30 MET CG C 13 28.561 0.000 . 1 . . . A 30 MET CG . 17762 1 241 . 1 1 30 30 MET N N 15 116.980 0.000 . 1 . . . A 30 MET N . 17762 1 242 . 1 1 31 31 CYS H H 1 6.592 0.000 . 1 . . . A 31 CYS H . 17762 1 243 . 1 1 31 31 CYS HA H 1 4.713 0.000 . 1 . . . A 31 CYS HA . 17762 1 244 . 1 1 31 31 CYS HB2 H 1 3.363 0.000 . 2 . . . . 31 Cys HB2 . 17762 1 245 . 1 1 31 31 CYS CA C 13 55.786 0.000 . 1 . . . A 31 CYS CA . 17762 1 246 . 1 1 31 31 CYS CB C 13 39.392 0.000 . 1 . . . A 31 CYS CB . 17762 1 247 . 1 1 31 31 CYS N N 15 116.217 0.000 . 1 . . . A 31 CYS N . 17762 1 248 . 1 1 32 32 CYS H H 1 9.448 0.000 . 1 . . . A 32 CYS H . 17762 1 249 . 1 1 32 32 CYS HA H 1 4.410 0.000 . 1 . . . A 32 CYS HA . 17762 1 250 . 1 1 32 32 CYS HB2 H 1 3.121 0.000 . 2 . . . A 32 CYS HB2 . 17762 1 251 . 1 1 32 32 CYS CA C 13 56.078 0.000 . 1 . . . A 32 CYS CA . 17762 1 252 . 1 1 32 32 CYS CB C 13 37.343 0.000 . 1 . . . A 32 CYS CB . 17762 1 253 . 1 1 32 32 CYS N N 15 124.056 0.000 . 1 . . . A 32 CYS N . 17762 1 254 . 1 1 33 33 ARG H H 1 8.099 0.000 . 1 . . . A 33 ARG H . 17762 1 255 . 1 1 33 33 ARG HA H 1 4.467 0.000 . 1 . . . A 33 ARG HA . 17762 1 256 . 1 1 33 33 ARG HB2 H 1 2.406 0.000 . 2 . . . . 33 Arg HB2 . 17762 1 257 . 1 1 33 33 ARG HG2 H 1 1.736 0.000 . 2 . . . A 33 ARG HG2 . 17762 1 258 . 1 1 33 33 ARG HD2 H 1 3.465 0.000 . 2 . . . . 33 Arg HD2 . 17762 1 259 . 1 1 33 33 ARG HE H 1 7.294 0.000 . 1 . . . A 33 ARG HE . 17762 1 260 . 1 1 33 33 ARG CA C 13 50.809 0.000 . 1 . . . A 33 ARG CA . 17762 1 261 . 1 1 33 33 ARG CB C 13 26.220 0.000 . 1 . . . A 33 ARG CB . 17762 1 262 . 1 1 33 33 ARG CD C 13 39.392 0.000 . 1 . . . A 33 ARG CD . 17762 1 263 . 1 1 33 33 ARG N N 15 116.829 0.000 . 1 . . . A 33 ARG N . 17762 1 264 . 1 1 33 33 ARG NE N 15 114.073 0.000 . 1 . . . A 33 ARG NE . 17762 1 265 . 1 1 34 34 LYS H H 1 7.690 0.000 . 1 . . . A 34 LYS H . 17762 1 266 . 1 1 34 34 LYS HA H 1 4.360 0.000 . 1 . . . A 34 LYS HA . 17762 1 267 . 1 1 34 34 LYS HB2 H 1 2.157 0.000 . 2 . . . . 34 Lys HB2 . 17762 1 268 . 1 1 34 34 LYS HG2 H 1 1.299 0.000 . 2 . . . A 34 LYS HG2 . 17762 1 269 . 1 1 34 34 LYS HD2 H 1 1.696 0.000 . 2 . . . . 34 Lys HD2 . 17762 1 270 . 1 1 34 34 LYS HE2 H 1 3.031 0.000 . 1 . . . A 34 LYS HE2 . 17762 1 271 . 1 1 34 34 LYS CA C 13 54.321 0.000 . 1 . . . A 34 LYS CA . 17762 1 272 . 1 1 34 34 LYS CB C 13 25.634 0.000 . 1 . . . A 34 LYS CB . 17762 1 273 . 1 1 34 34 LYS CG C 13 22.414 0.000 . 1 . . . A 34 LYS CG . 17762 1 274 . 1 1 34 34 LYS CD C 13 26.220 0.000 . 1 . . . A 34 LYS CD . 17762 1 275 . 1 1 34 34 LYS CE C 13 40.563 0.000 . 1 . . . A 34 LYS CE . 17762 1 276 . 1 1 34 34 LYS N N 15 111.068 0.000 . 1 . . . A 34 LYS N . 17762 1 277 . 1 1 35 35 MET H H 1 8.195 0.000 . 1 . . . A 35 MET H . 17762 1 278 . 1 1 35 35 MET HA H 1 4.749 0.000 . 1 . . . A 35 MET HA . 17762 1 279 . 1 1 35 35 MET HB2 H 1 2.364 0.000 . 2 . . . . 35 Met HB2 . 17762 1 280 . 1 1 35 35 MET HG2 H 1 2.197 0.000 . 2 . . . A 35 MET HG2 . 17762 1 281 . 1 1 35 35 MET HE1 H 1 1.740 0.000 . 1 . . . A 35 MET HE1 . 17762 1 282 . 1 1 35 35 MET HE2 H 1 1.740 0.000 . 1 . . . A 35 MET HE2 . 17762 1 283 . 1 1 35 35 MET HE3 H 1 1.740 0.000 . 1 . . . A 35 MET HE3 . 17762 1 284 . 1 1 35 35 MET CA C 13 53.443 0.000 . 1 . . . A 35 MET CA . 17762 1 285 . 1 1 35 35 MET CB C 13 30.903 0.000 . 1 . . . A 35 MET CB . 17762 1 286 . 1 1 35 35 MET CG C 13 31.489 0.000 . 1 . . . A 35 MET CG . 17762 1 287 . 1 1 35 35 MET N N 15 116.639 0.000 . 1 . . . A 35 MET N . 17762 1 288 . 1 1 36 36 THR H H 1 7.562 0.000 . 1 . . . A 36 THR H . 17762 1 289 . 1 1 36 36 THR HA H 1 5.292 0.000 . 1 . . . A 36 THR HA . 17762 1 290 . 1 1 36 36 THR HB H 1 4.846 0.000 . 1 . . . A 36 THR HB . 17762 1 291 . 1 1 36 36 THR HG21 H 1 1.167 0.000 . 1 . . . A 36 THR HG21 . 17762 1 292 . 1 1 36 36 THR HG22 H 1 1.167 0.000 . 1 . . . A 36 THR HG22 . 17762 1 293 . 1 1 36 36 THR HG23 H 1 1.167 0.000 . 1 . . . A 36 THR HG23 . 17762 1 294 . 1 1 36 36 THR CA C 13 58.127 0.000 . 1 . . . A 36 THR CA . 17762 1 295 . 1 1 36 36 THR CB C 13 66.030 0.000 . 1 . . . A 36 THR CB . 17762 1 296 . 1 1 36 36 THR CG2 C 13 18.902 0.000 . 1 . . . A 36 THR CG2 . 17762 1 297 . 1 1 36 36 THR N N 15 107.641 0.000 . 1 . . . A 36 THR N . 17762 1 298 . 1 1 37 37 GLN H H 1 7.334 0.000 . 1 . . . A 37 GLN H . 17762 1 299 . 1 1 37 37 GLN HA H 1 4.554 0.000 . 1 . . . A 37 GLN HA . 17762 1 300 . 1 1 37 37 GLN HB2 H 1 2.069 0.000 . 1 . . . . 37 Gln HB2 . 17762 1 301 . 1 1 37 37 GLN HG2 H 1 2.410 0.000 . 2 . . . A 37 GLN HG2 . 17762 1 302 . 1 1 37 37 GLN HE21 H 1 7.394 0.000 . 1 . . . A 37 GLN HE21 . 17762 1 303 . 1 1 37 37 GLN HE22 H 1 6.474 0.000 . 1 . . . A 37 GLN HE22 . 17762 1 304 . 1 1 37 37 GLN CA C 13 52.858 0.000 . 1 . . . A 37 GLN CA . 17762 1 305 . 1 1 37 37 GLN CB C 13 26.220 0.000 . 1 . . . A 37 GLN CB . 17762 1 306 . 1 1 37 37 GLN CG C 13 30.903 0.000 . 1 . . . A 37 GLN CG . 17762 1 307 . 1 1 37 37 GLN N N 15 121.079 0.000 . 1 . . . A 37 GLN N . 17762 1 308 . 1 1 37 37 GLN NE2 N 15 112.457 0.000 . 1 . . . A 37 GLN NE2 . 17762 1 309 . 1 1 38 38 GLY H H 1 8.345 0.000 . 1 . . . A 38 GLY H . 17762 1 310 . 1 1 38 38 GLY HA2 H 1 4.189 0.000 . 2 . . . . 38 Gly HA2 . 17762 1 311 . 1 1 38 38 GLY CA C 13 43.783 0.000 . 1 . . . A 38 GLY CA . 17762 1 312 . 1 1 38 38 GLY N N 15 118.390 0.000 . 1 . . . A 38 GLY N . 17762 1 313 . 1 1 39 39 LYS H H 1 7.222 0.000 . 1 . . . A 39 LYS H . 17762 1 314 . 1 1 39 39 LYS HA H 1 3.555 0.000 . 1 . . . A 39 LYS HA . 17762 1 315 . 1 1 39 39 LYS HB2 H 1 1.624 0.000 . 2 . . . . 39 Lys HB2 . 17762 1 316 . 1 1 39 39 LYS HG2 H 1 0.945 0.000 . 2 . . . A 39 LYS HG2 . 17762 1 317 . 1 1 39 39 LYS HD2 H 1 1.524 0.000 . 1 . . . . 39 Lys HD2 . 17762 1 318 . 1 1 39 39 LYS HE2 H 1 2.862 0.000 . 1 . . . A 39 LYS HE2 . 17762 1 319 . 1 1 39 39 LYS CA C 13 52.272 0.000 . 1 . . . A 39 LYS CA . 17762 1 320 . 1 1 39 39 LYS CB C 13 31.196 0.000 . 1 . . . A 39 LYS CB . 17762 1 321 . 1 1 39 39 LYS CG C 13 20.658 0.000 . 1 . . . A 39 LYS CG . 17762 1 322 . 1 1 39 39 LYS CD C 13 26.805 0.000 . 1 . . . A 39 LYS CD . 17762 1 323 . 1 1 39 39 LYS CE C 13 39.685 0.000 . 1 . . . A 39 LYS CE . 17762 1 324 . 1 1 39 39 LYS N N 15 116.961 0.000 . 1 . . . A 39 LYS N . 17762 1 325 . 1 1 40 40 CYS H H 1 8.891 0.000 . 1 . . . A 40 CYS H . 17762 1 326 . 1 1 40 40 CYS HA H 1 4.787 0.000 . 1 . . . A 40 CYS HA . 17762 1 327 . 1 1 40 40 CYS HB2 H 1 3.025 0.000 . 2 . . . . 40 Cys HB2 . 17762 1 328 . 1 1 40 40 CYS CA C 13 50.809 0.000 . 1 . . . A 40 CYS CA . 17762 1 329 . 1 1 40 40 CYS CB C 13 34.101 0.000 . 1 . . . A 40 CYS CB . 17762 1 330 . 1 1 40 40 CYS N N 15 119.480 0.000 . 1 . . . A 40 CYS N . 17762 1 331 . 1 1 41 41 LYS H H 1 7.902 0.000 . 1 . . . A 41 LYS H . 17762 1 332 . 1 1 41 41 LYS HA H 1 4.550 0.000 . 1 . . . A 41 LYS HA . 17762 1 333 . 1 1 41 41 LYS HB2 H 1 1.706 0.000 . 2 . . . . 41 Lys HB2 . 17762 1 334 . 1 1 41 41 LYS HG2 H 1 1.611 0.000 . 2 . . . A 41 LYS HG2 . 17762 1 335 . 1 1 41 41 LYS HE2 H 1 3.363 0.000 . 2 . . . A 41 LYS HE2 . 17762 1 336 . 1 1 41 41 LYS CA C 13 53.443 0.000 . 1 . . . A 41 LYS CA . 17762 1 337 . 1 1 41 41 LYS CB C 13 31.489 0.000 . 1 . . . A 41 LYS CB . 17762 1 338 . 1 1 41 41 LYS CG C 13 23.001 0.000 . 1 . . . A 41 LYS CG . 17762 1 339 . 1 1 41 41 LYS CE C 13 39.978 0.000 . 1 . . . A 41 LYS CE . 17762 1 340 . 1 1 41 41 LYS N N 15 130.320 0.000 . 1 . . . A 41 LYS N . 17762 1 341 . 1 1 42 42 PRO HA H 1 4.600 0.000 . 1 . . . A 42 PRO HA . 17762 1 342 . 1 1 42 42 PRO HB2 H 1 2.503 0.000 . 2 . . . . 42 Pro HB2 . 17762 1 343 . 1 1 42 42 PRO HG2 H 1 2.199 0.000 . 1 . . . A 42 PRO HG2 . 17762 1 344 . 1 1 42 42 PRO HD2 H 1 3.919 0.000 . 2 . . . A 42 PRO HD2 . 17762 1 345 . 1 1 42 42 PRO CA C 13 63.981 0.000 . 1 . . . A 42 PRO CA . 17762 1 346 . 1 1 42 42 PRO CB C 13 29.732 0.000 . 1 . . . A 42 PRO CB . 17762 1 347 . 1 1 42 42 PRO CG C 13 25.341 0.000 . 1 . . . A 42 PRO CG . 17762 1 348 . 1 1 42 42 PRO CD C 13 49.052 0.000 . 1 . . . A 42 PRO CD . 17762 1 349 . 1 1 43 43 VAL H H 1 6.967 0.000 . 1 . . . A 43 VAL H . 17762 1 350 . 1 1 43 43 VAL HA H 1 5.302 0.000 . 1 . . . A 43 VAL HA . 17762 1 351 . 1 1 43 43 VAL HB H 1 2.131 0.000 . 1 . . . A 43 VAL HB . 17762 1 352 . 1 1 43 43 VAL HG11 H 1 0.953 0.000 . 2 . . . A 43 VAL HG11 . 17762 1 353 . 1 1 43 43 VAL HG12 H 1 0.953 0.000 . 2 . . . A 43 VAL HG12 . 17762 1 354 . 1 1 43 43 VAL HG13 H 1 0.953 0.000 . 2 . . . A 43 VAL HG13 . 17762 1 355 . 1 1 43 43 VAL HG21 H 1 0.985 0.000 . 2 . . . A 43 VAL HG21 . 17762 1 356 . 1 1 43 43 VAL HG22 H 1 0.985 0.000 . 2 . . . A 43 VAL HG22 . 17762 1 357 . 1 1 43 43 VAL HG23 H 1 0.985 0.000 . 2 . . . A 43 VAL HG23 . 17762 1 358 . 1 1 43 43 VAL CA C 13 56.663 0.000 . 1 . . . A 43 VAL CA . 17762 1 359 . 1 1 43 43 VAL CB C 13 32.952 0.000 . 1 . . . A 43 VAL CB . 17762 1 360 . 1 1 43 43 VAL CG1 C 13 18.023 0.000 . 1 . . . A 43 VAL CG1 . 17762 1 361 . 1 1 43 43 VAL CG2 C 13 18.023 0.000 . 1 . . . A 43 VAL CG2 . 17762 1 362 . 1 1 43 43 VAL N N 15 111.738 0.000 . 1 . . . A 43 VAL N . 17762 1 363 . 1 1 44 44 ASN H H 1 8.741 0.000 . 1 . . . A 44 ASN H . 17762 1 364 . 1 1 44 44 ASN HA H 1 4.770 0.000 . 1 . . . A 44 ASN HA . 17762 1 365 . 1 1 44 44 ASN HB2 H 1 2.363 0.000 . 2 . . . . 44 Asn HB2 . 17762 1 366 . 1 1 44 44 ASN HD21 H 1 6.759 0.000 . 1 . . . A 44 ASN HD21 . 17762 1 367 . 1 1 44 44 ASN HD22 H 1 4.190 0.000 . 1 . . . A 44 ASN HD22 . 17762 1 368 . 1 1 44 44 ASN CA C 13 51.687 0.000 . 1 . . . A 44 ASN CA . 17762 1 369 . 1 1 44 44 ASN CB C 13 41.734 0.000 . 1 . . . A 44 ASN CB . 17762 1 370 . 1 1 44 44 ASN N N 15 120.558 0.000 . 1 . . . A 44 ASN N . 17762 1 371 . 1 1 44 44 ASN ND2 N 15 115.816 0.000 . 1 . . . A 44 ASN ND2 . 17762 1 372 . 1 1 45 45 THR H H 1 6.938 0.000 . 1 . . . A 45 THR H . 17762 1 373 . 1 1 45 45 THR HA H 1 5.142 0.000 . 1 . . . A 45 THR HA . 17762 1 374 . 1 1 45 45 THR HB H 1 2.213 0.000 . 1 . . . A 45 THR HB . 17762 1 375 . 1 1 45 45 THR HG21 H 1 0.732 0.000 . 1 . . . A 45 THR HG21 . 17762 1 376 . 1 1 45 45 THR HG22 H 1 0.732 0.000 . 1 . . . A 45 THR HG22 . 17762 1 377 . 1 1 45 45 THR HG23 H 1 0.732 0.000 . 1 . . . A 45 THR HG23 . 17762 1 378 . 1 1 45 45 THR CA C 13 59.005 0.000 . 1 . . . A 45 THR CA . 17762 1 379 . 1 1 45 45 THR CB C 13 68.079 0.000 . 1 . . . A 45 THR CB . 17762 1 380 . 1 1 45 45 THR CG2 C 13 19.780 0.000 . 1 . . . A 45 THR CG2 . 17762 1 381 . 1 1 45 45 THR N N 15 120.658 0.000 . 1 . . . A 45 THR N . 17762 1 382 . 1 1 46 46 PHE H H 1 9.318 0.000 . 1 . . . A 46 PHE H . 17762 1 383 . 1 1 46 46 PHE HA H 1 4.916 0.000 . 1 . . . A 46 PHE HA . 17762 1 384 . 1 1 46 46 PHE HB2 H 1 2.740 0.000 . 2 . . . . 46 Phe HB2 . 17762 1 385 . 1 1 46 46 PHE HD1 H 1 6.809 0.000 . 3 . . . A 46 PHE HD1 . 17762 1 386 . 1 1 46 46 PHE HD2 H 1 6.809 0.000 . 3 . . . A 46 PHE HD2 . 17762 1 387 . 1 1 46 46 PHE HE1 H 1 6.873 0.000 . 3 . . . A 46 PHE HE1 . 17762 1 388 . 1 1 46 46 PHE HE2 H 1 6.873 0.000 . 3 . . . A 46 PHE HE2 . 17762 1 389 . 1 1 46 46 PHE HZ H 1 6.479 0.000 . 1 . . . A 46 PHE HZ . 17762 1 390 . 1 1 46 46 PHE CA C 13 54.321 0.000 . 1 . . . A 46 PHE CA . 17762 1 391 . 1 1 46 46 PHE CB C 13 26.692 0.000 . 1 . . . A 46 PHE CB . 17762 1 392 . 1 1 46 46 PHE N N 15 125.168 0.000 . 1 . . . A 46 PHE N . 17762 1 393 . 1 1 47 47 VAL H H 1 9.333 0.000 . 1 . . . A 47 VAL H . 17762 1 394 . 1 1 47 47 VAL HA H 1 4.212 0.000 . 1 . . . A 47 VAL HA . 17762 1 395 . 1 1 47 47 VAL HB H 1 2.458 0.000 . 1 . . . A 47 VAL HB . 17762 1 396 . 1 1 47 47 VAL HG11 H 1 1.021 0.000 . 2 . . . A 47 VAL HG11 . 17762 1 397 . 1 1 47 47 VAL HG12 H 1 1.021 0.000 . 2 . . . A 47 VAL HG12 . 17762 1 398 . 1 1 47 47 VAL HG13 H 1 1.021 0.000 . 2 . . . A 47 VAL HG13 . 17762 1 399 . 1 1 47 47 VAL HG21 H 1 0.898 0.000 . 2 . . . A 47 VAL HG21 . 17762 1 400 . 1 1 47 47 VAL HG22 H 1 0.898 0.000 . 2 . . . A 47 VAL HG22 . 17762 1 401 . 1 1 47 47 VAL HG23 H 1 0.898 0.000 . 2 . . . A 47 VAL HG23 . 17762 1 402 . 1 1 47 47 VAL CA C 13 59.280 0.000 . 1 . . . A 47 VAL CA . 17762 1 403 . 1 1 47 47 VAL CB C 13 30.025 0.000 . 1 . . . A 47 VAL CB . 17762 1 404 . 1 1 47 47 VAL CG1 C 13 20.072 0.000 . 2 . . . A 47 VAL CG1 . 17762 1 405 . 1 1 47 47 VAL CG2 C 13 18.902 0.000 . 2 . . . A 47 VAL CG2 . 17762 1 406 . 1 1 47 47 VAL N N 15 121.430 0.000 . 1 . . . A 47 VAL N . 17762 1 407 . 1 1 48 48 HIS H H 1 8.772 0.000 . 1 . . . A 48 HIS H . 17762 1 408 . 1 1 48 48 HIS HA H 1 5.314 0.000 . 1 . . . A 48 HIS HA . 17762 1 409 . 1 1 48 48 HIS HB2 H 1 2.815 0.000 . 2 . . . A 48 HIS HB2 . 17762 1 410 . 1 1 48 48 HIS HD2 H 1 6.536 0.000 . 1 . . . A 48 HIS HD2 . 17762 1 411 . 1 1 48 48 HIS HE1 H 1 7.939 0.000 . 1 . . . A 48 HIS HE1 . 17762 1 412 . 1 1 48 48 HIS CA C 13 51.979 0.000 . 1 . . . A 48 HIS CA . 17762 1 413 . 1 1 48 48 HIS CB C 13 25.634 0.000 . 1 . . . A 48 HIS CB . 17762 1 414 . 1 1 48 48 HIS N N 15 125.243 0.000 . 1 . . . A 48 HIS N . 17762 1 415 . 1 1 49 49 GLU H H 1 6.558 0.000 . 1 . . . A 49 GLU H . 17762 1 416 . 1 1 49 49 GLU HA H 1 4.763 0.000 . 1 . . . A 49 GLU HA . 17762 1 417 . 1 1 49 49 GLU HB2 H 1 2.586 0.000 . 2 . . . A 49 GLU HB2 . 17762 1 418 . 1 1 49 49 GLU HG2 H 1 2.391 0.000 . 2 . . . . 49 Glu HG2 . 17762 1 419 . 1 1 49 49 GLU CA C 13 51.101 0.000 . 1 . . . A 49 GLU CA . 17762 1 420 . 1 1 49 49 GLU CB C 13 28.269 0.000 . 1 . . . A 49 GLU CB . 17762 1 421 . 1 1 49 49 GLU CG C 13 32.950 0.000 . 1 . . . A 49 GLU CG . 17762 1 422 . 1 1 49 49 GLU N N 15 117.070 0.000 . 1 . . . A 49 GLU N . 17762 1 423 . 1 1 50 50 SER H H 1 9.589 0.000 . 1 . . . A 50 SER H . 17762 1 424 . 1 1 50 50 SER HA H 1 4.240 0.000 . 1 . . . A 50 SER HA . 17762 1 425 . 1 1 50 50 SER HB2 H 1 4.076 0.000 . 2 . . . A 50 SER HB2 . 17762 1 426 . 1 1 50 50 SER CA C 13 55.199 0.000 . 1 . . . A 50 SER CA . 17762 1 427 . 1 1 50 50 SER CB C 13 61.932 0.000 . 1 . . . A 50 SER CB . 17762 1 428 . 1 1 50 50 SER N N 15 117.468 0.000 . 1 . . . A 50 SER N . 17762 1 429 . 1 1 51 51 LEU H H 1 8.783 0.000 . 1 . . . A 51 LEU H . 17762 1 430 . 1 1 51 51 LEU HA H 1 4.088 0.000 . 1 . . . A 51 LEU HA . 17762 1 431 . 1 1 51 51 LEU HB2 H 1 1.766 0.000 . 2 . . . A 51 LEU HB2 . 17762 1 432 . 1 1 51 51 LEU HG H 1 1.599 0.000 . 1 . . . A 51 LEU HG . 17762 1 433 . 1 1 51 51 LEU HD11 H 1 1.117 0.000 . 2 . . . A 51 LEU HD11 . 17762 1 434 . 1 1 51 51 LEU HD12 H 1 1.117 0.000 . 2 . . . A 51 LEU HD12 . 17762 1 435 . 1 1 51 51 LEU HD13 H 1 1.117 0.000 . 2 . . . A 51 LEU HD13 . 17762 1 436 . 1 1 51 51 LEU HD21 H 1 0.997 0.000 . 2 . . . A 51 LEU HD21 . 17762 1 437 . 1 1 51 51 LEU HD22 H 1 0.997 0.000 . 2 . . . A 51 LEU HD22 . 17762 1 438 . 1 1 51 51 LEU HD23 H 1 0.997 0.000 . 2 . . . A 51 LEU HD23 . 17762 1 439 . 1 1 51 51 LEU CA C 13 55.785 0.000 . 1 . . . A 51 LEU CA . 17762 1 440 . 1 1 51 51 LEU CB C 13 38.514 0.000 . 1 . . . A 51 LEU CB . 17762 1 441 . 1 1 51 51 LEU CG C 13 24.171 0.000 . 1 . . . A 51 LEU CG . 17762 1 442 . 1 1 51 51 LEU CD1 C 13 20.072 0.000 . 2 . . . A 51 LEU CD1 . 17762 1 443 . 1 1 51 51 LEU CD2 C 13 23.000 0.000 . 2 . . . A 51 LEU CD2 . 17762 1 444 . 1 1 51 51 LEU N N 15 124.046 0.000 . 1 . . . A 51 LEU N . 17762 1 445 . 1 1 52 52 ALA H H 1 8.462 0.000 . 1 . . . A 52 ALA H . 17762 1 446 . 1 1 52 52 ALA HA H 1 3.959 0.000 . 1 . . . A 52 ALA HA . 17762 1 447 . 1 1 52 52 ALA HB1 H 1 1.393 0.000 . 1 . . . A 52 ALA HB1 . 17762 1 448 . 1 1 52 52 ALA HB2 H 1 1.393 0.000 . 1 . . . A 52 ALA HB2 . 17762 1 449 . 1 1 52 52 ALA HB3 H 1 1.393 0.000 . 1 . . . A 52 ALA HB3 . 17762 1 450 . 1 1 52 52 ALA CA C 13 52.858 0.000 . 1 . . . A 52 ALA CA . 17762 1 451 . 1 1 52 52 ALA CB C 13 15.682 0.000 . 1 . . . A 52 ALA CB . 17762 1 452 . 1 1 52 52 ALA N N 15 120.494 0.000 . 1 . . . A 52 ALA N . 17762 1 453 . 1 1 53 53 ASP H H 1 7.835 0.000 . 1 . . . A 53 ASP H . 17762 1 454 . 1 1 53 53 ASP HA H 1 4.372 0.000 . 1 . . . A 53 ASP HA . 17762 1 455 . 1 1 53 53 ASP HB2 H 1 2.935 0.000 . 2 . . . . 53 Asp HB2 . 17762 1 456 . 1 1 53 53 ASP CA C 13 54.907 0.000 . 1 . . . A 53 ASP CA . 17762 1 457 . 1 1 53 53 ASP CB C 13 37.050 0.000 . 1 . . . A 53 ASP CB . 17762 1 458 . 1 1 53 53 ASP N N 15 120.265 0.000 . 1 . . . A 53 ASP N . 17762 1 459 . 1 1 54 54 VAL H H 1 7.879 0.000 . 1 . . . A 54 VAL H . 17762 1 460 . 1 1 54 54 VAL HA H 1 3.703 0.000 . 1 . . . A 54 VAL HA . 17762 1 461 . 1 1 54 54 VAL HB H 1 2.175 0.000 . 1 . . . A 54 VAL HB . 17762 1 462 . 1 1 54 54 VAL HG11 H 1 1.080 0.000 . 2 . . . A 54 VAL HG11 . 17762 1 463 . 1 1 54 54 VAL HG12 H 1 1.080 0.000 . 2 . . . A 54 VAL HG12 . 17762 1 464 . 1 1 54 54 VAL HG13 H 1 1.080 0.000 . 2 . . . A 54 VAL HG13 . 17762 1 465 . 1 1 54 54 VAL HG21 H 1 1.050 0.000 . 2 . . . A 54 VAL HG21 . 17762 1 466 . 1 1 54 54 VAL HG22 H 1 1.050 0.000 . 2 . . . A 54 VAL HG22 . 17762 1 467 . 1 1 54 54 VAL HG23 H 1 1.050 0.000 . 2 . . . A 54 VAL HG23 . 17762 1 468 . 1 1 54 54 VAL CA C 13 64.274 0.000 . 1 . . . A 54 VAL CA . 17762 1 469 . 1 1 54 54 VAL CB C 13 29.147 0.000 . 1 . . . A 54 VAL CB . 17762 1 470 . 1 1 54 54 VAL CG1 C 13 18.609 0.000 . 2 . . . A 54 VAL CG1 . 17762 1 471 . 1 1 54 54 VAL CG2 C 13 22.414 0.000 . 2 . . . A 54 VAL CG2 . 17762 1 472 . 1 1 54 54 VAL N N 15 121.771 0.000 . 1 . . . A 54 VAL N . 17762 1 473 . 1 1 55 55 LYS H H 1 9.000 0.000 . 1 . . . A 55 LYS H . 17762 1 474 . 1 1 55 55 LYS HA H 1 3.641 0.000 . 1 . . . A 55 LYS HA . 17762 1 475 . 1 1 55 55 LYS HB2 H 1 1.841 0.000 . 1 . . . . 55 Lys HB2 . 17762 1 476 . 1 1 55 55 LYS HG2 H 1 1.175 0.000 . 2 . . . A 55 LYS HG2 . 17762 1 477 . 1 1 55 55 LYS HD2 H 1 1.633 0.000 . 1 . . . . 55 Lys HD2 . 17762 1 478 . 1 1 55 55 LYS HE2 H 1 2.801 0.000 . 2 . . . A 55 LYS HE2 . 17762 1 479 . 1 1 55 55 LYS CA C 13 57.839 0.000 . 1 . . . A 55 LYS CA . 17762 1 480 . 1 1 55 55 LYS CB C 13 29.732 0.000 . 1 . . . A 55 LYS CB . 17762 1 481 . 1 1 55 55 LYS CG C 13 24.463 0.000 . 1 . . . A 55 LYS CG . 17762 1 482 . 1 1 55 55 LYS CD C 13 27.683 0.000 . 1 . . . A 55 LYS CD . 17762 1 483 . 1 1 55 55 LYS CE C 13 39.392 0.000 . 1 . . . A 55 LYS CE . 17762 1 484 . 1 1 55 55 LYS N N 15 119.973 0.000 . 1 . . . A 55 LYS N . 17762 1 485 . 1 1 56 56 ALA H H 1 7.534 0.000 . 1 . . . A 56 ALA H . 17762 1 486 . 1 1 56 56 ALA HA H 1 4.015 0.000 . 1 . . . A 56 ALA HA . 17762 1 487 . 1 1 56 56 ALA HB1 H 1 1.460 0.000 . 1 . . . A 56 ALA HB1 . 17762 1 488 . 1 1 56 56 ALA HB2 H 1 1.460 0.000 . 1 . . . A 56 ALA HB2 . 17762 1 489 . 1 1 56 56 ALA HB3 H 1 1.460 0.000 . 1 . . . A 56 ALA HB3 . 17762 1 490 . 1 1 56 56 ALA CA C 13 51.394 0.000 . 1 . . . A 56 ALA CA . 17762 1 491 . 1 1 56 56 ALA CB C 13 14.803 0.000 . 1 . . . A 56 ALA CB . 17762 1 492 . 1 1 56 56 ALA N N 15 120.213 0.000 . 1 . . . A 56 ALA N . 17762 1 493 . 1 1 57 57 VAL H H 1 7.575 0.000 . 1 . . . A 57 VAL H . 17762 1 494 . 1 1 57 57 VAL HA H 1 3.203 0.000 . 1 . . . A 57 VAL HA . 17762 1 495 . 1 1 57 57 VAL HB H 1 2.189 0.000 . 1 . . . A 57 VAL HB . 17762 1 496 . 1 1 57 57 VAL HG11 H 1 1.117 0.000 . 2 . . . A 57 VAL HG11 . 17762 1 497 . 1 1 57 57 VAL HG12 H 1 1.117 0.000 . 2 . . . A 57 VAL HG12 . 17762 1 498 . 1 1 57 57 VAL HG13 H 1 1.117 0.000 . 2 . . . A 57 VAL HG13 . 17762 1 499 . 1 1 57 57 VAL HG21 H 1 0.736 0.000 . 2 . . . A 57 VAL HG21 . 17762 1 500 . 1 1 57 57 VAL HG22 H 1 0.736 0.000 . 2 . . . A 57 VAL HG22 . 17762 1 501 . 1 1 57 57 VAL HG23 H 1 0.736 0.000 . 2 . . . A 57 VAL HG23 . 17762 1 502 . 1 1 57 57 VAL CA C 13 63.396 0.000 . 1 . . . A 57 VAL CA . 17762 1 503 . 1 1 57 57 VAL CB C 13 28.561 0.000 . 1 . . . A 57 VAL CB . 17762 1 504 . 1 1 57 57 VAL CG1 C 13 21.829 0.000 . 2 . . . A 57 VAL CG1 . 17762 1 505 . 1 1 57 57 VAL CG2 C 13 20.658 0.000 . 2 . . . A 57 VAL CG2 . 17762 1 506 . 1 1 57 57 VAL N N 15 121.006 0.000 . 1 . . . A 57 VAL N . 17762 1 507 . 1 1 58 58 CYS H H 1 6.809 0.000 . 1 . . . A 58 CYS H . 17762 1 508 . 1 1 58 58 CYS HA H 1 3.520 0.000 . 1 . . . A 58 CYS HA . 17762 1 509 . 1 1 58 58 CYS HB2 H 1 2.683 0.000 . 2 . . . . 58 Cys HB2 . 17762 1 510 . 1 1 58 58 CYS CA C 13 51.979 0.000 . 1 . . . A 58 CYS CA . 17762 1 511 . 1 1 58 58 CYS CB C 13 36.465 0.000 . 1 . . . A 58 CYS CB . 17762 1 512 . 1 1 58 58 CYS N N 15 113.037 0.000 . 1 . . . A 58 CYS N . 17762 1 513 . 1 1 59 59 SER H H 1 7.480 0.000 . 1 . . . A 59 SER H . 17762 1 514 . 1 1 59 59 SER HA H 1 4.569 0.000 . 1 . . . A 59 SER HA . 17762 1 515 . 1 1 59 59 SER HB2 H 1 4.019 0.000 . 2 . . . . 59 Ser HB2 . 17762 1 516 . 1 1 59 59 SER CA C 13 55.785 0.000 . 1 . . . A 59 SER CA . 17762 1 517 . 1 1 59 59 SER CB C 13 61.054 0.000 . 1 . . . A 59 SER CB . 17762 1 518 . 1 1 59 59 SER N N 15 113.164 0.000 . 1 . . . A 59 SER N . 17762 1 519 . 1 1 60 60 GLN H H 1 7.702 0.000 . 1 . . . A 60 GLN H . 17762 1 520 . 1 1 60 60 GLN HA H 1 4.599 0.000 . 1 . . . A 60 GLN HA . 17762 1 521 . 1 1 60 60 GLN HB2 H 1 2.332 0.000 . 2 . . . . 60 Gln HB2 . 17762 1 522 . 1 1 60 60 GLN HG2 H 1 2.380 0.000 . 2 . . . A 60 GLN HG2 . 17762 1 523 . 1 1 60 60 GLN HE21 H 1 7.758 0.000 . 1 . . . A 60 GLN HE21 . 17762 1 524 . 1 1 60 60 GLN HE22 H 1 6.907 0.000 . 1 . . . A 60 GLN HE22 . 17762 1 525 . 1 1 60 60 GLN CA C 13 52.565 0.000 . 1 . . . A 60 GLN CA . 17762 1 526 . 1 1 60 60 GLN CB C 13 22.414 0.000 . 1 . . . A 60 GLN CB . 17762 1 527 . 1 1 60 60 GLN CG C 13 31.781 0.000 . 1 . . . A 60 GLN CG . 17762 1 528 . 1 1 60 60 GLN N N 15 124.351 0.000 . 1 . . . A 60 GLN N . 17762 1 529 . 1 1 60 60 GLN NE2 N 15 114.061 0.000 . 1 . . . A 60 GLN NE2 . 17762 1 530 . 1 1 61 61 LYS H H 1 7.540 0.000 . 1 . . . A 61 LYS H . 17762 1 531 . 1 1 61 61 LYS HA H 1 4.261 0.000 . 1 . . . A 61 LYS HA . 17762 1 532 . 1 1 61 61 LYS HB2 H 1 1.936 0.000 . 2 . . . . 61 Lys HB2 . 17762 1 533 . 1 1 61 61 LYS HG2 H 1 1.210 0.000 . 2 . . . A 61 LYS HG2 . 17762 1 534 . 1 1 61 61 LYS HD2 H 1 1.624 0.000 . 1 . . . . 61 Lys HD2 . 17762 1 535 . 1 1 61 61 LYS HE2 H 1 2.866 0.000 . 1 . . . A 61 LYS HE2 . 17762 1 536 . 1 1 61 61 LYS CA C 13 54.614 0.000 . 1 . . . A 61 LYS CA . 17762 1 537 . 1 1 61 61 LYS CB C 13 31.489 0.000 . 1 . . . A 61 LYS CB . 17762 1 538 . 1 1 61 61 LYS CG C 13 22.121 0.000 . 1 . . . A 61 LYS CG . 17762 1 539 . 1 1 61 61 LYS CD C 13 27.098 0.000 . 1 . . . A 61 LYS CD . 17762 1 540 . 1 1 61 61 LYS CE C 13 39.685 0.000 . 1 . . . A 61 LYS CE . 17762 1 541 . 1 1 61 61 LYS N N 15 122.353 0.000 . 1 . . . A 61 LYS N . 17762 1 542 . 1 1 62 62 LYS H H 1 8.408 0.000 . 1 . . . A 62 LYS H . 17762 1 543 . 1 1 62 62 LYS HA H 1 4.050 0.000 . 1 . . . A 62 LYS HA . 17762 1 544 . 1 1 62 62 LYS HB2 H 1 1.634 0.000 . 2 . . . . 62 Lys HB2 . 17762 1 545 . 1 1 62 62 LYS HG2 H 1 1.123 0.000 . 2 . . . A 62 LYS HG2 . 17762 1 546 . 1 1 62 62 LYS HE2 H 1 2.988 0.000 . 1 . . . A 62 LYS HE2 . 17762 1 547 . 1 1 62 62 LYS CA C 13 54.907 0.000 . 1 . . . A 62 LYS CA . 17762 1 548 . 1 1 62 62 LYS CB C 13 30.318 0.000 . 1 . . . A 62 LYS CB . 17762 1 549 . 1 1 62 62 LYS CG C 13 22.121 0.000 . 1 . . . A 62 LYS CG . 17762 1 550 . 1 1 62 62 LYS CE C 13 39.978 0.000 . 1 . . . A 62 LYS CE . 17762 1 551 . 1 1 62 62 LYS N N 15 129.878 0.000 . 1 . . . A 62 LYS N . 17762 1 552 . 1 1 63 63 VAL H H 1 8.317 0.000 . 1 . . . A 63 VAL H . 17762 1 553 . 1 1 63 63 VAL HA H 1 4.516 0.000 . 1 . . . A 63 VAL HA . 17762 1 554 . 1 1 63 63 VAL HB H 1 2.132 0.000 . 1 . . . A 63 VAL HB . 17762 1 555 . 1 1 63 63 VAL HG11 H 1 0.701 0.000 . 2 . . . A 63 VAL HG11 . 17762 1 556 . 1 1 63 63 VAL HG12 H 1 0.701 0.000 . 2 . . . A 63 VAL HG12 . 17762 1 557 . 1 1 63 63 VAL HG13 H 1 0.701 0.000 . 2 . . . A 63 VAL HG13 . 17762 1 558 . 1 1 63 63 VAL HG21 H 1 0.405 0.000 . 2 . . . A 63 VAL HG21 . 17762 1 559 . 1 1 63 63 VAL HG22 H 1 0.405 0.000 . 2 . . . A 63 VAL HG22 . 17762 1 560 . 1 1 63 63 VAL HG23 H 1 0.405 0.000 . 2 . . . A 63 VAL HG23 . 17762 1 561 . 1 1 63 63 VAL CA C 13 56.663 0.000 . 1 . . . A 63 VAL CA . 17762 1 562 . 1 1 63 63 VAL CB C 13 33.538 0.000 . 1 . . . A 63 VAL CB . 17762 1 563 . 1 1 63 63 VAL CG1 C 13 19.194 0.000 . 2 . . . A 63 VAL CG1 . 17762 1 564 . 1 1 63 63 VAL CG2 C 13 16.852 0.000 . 2 . . . A 63 VAL CG2 . 17762 1 565 . 1 1 63 63 VAL N N 15 121.631 0.000 . 1 . . . A 63 VAL N . 17762 1 566 . 1 1 64 64 THR H H 1 7.965 0.000 . 1 . . . A 64 THR H . 17762 1 567 . 1 1 64 64 THR HA H 1 4.296 0.000 . 1 . . . A 64 THR HA . 17762 1 568 . 1 1 64 64 THR HB H 1 3.876 0.000 . 1 . . . A 64 THR HB . 17762 1 569 . 1 1 64 64 THR HG21 H 1 1.276 0.000 . 1 . . . A 64 THR HG21 . 17762 1 570 . 1 1 64 64 THR HG22 H 1 1.276 0.000 . 1 . . . A 64 THR HG22 . 17762 1 571 . 1 1 64 64 THR HG23 H 1 1.276 0.000 . 1 . . . A 64 THR HG23 . 17762 1 572 . 1 1 64 64 THR CA C 13 60.468 0.000 . 1 . . . A 64 THR CA . 17762 1 573 . 1 1 64 64 THR CB C 13 67.201 0.000 . 1 . . . A 64 THR CB . 17762 1 574 . 1 1 64 64 THR CG2 C 13 18.902 0.000 . 1 . . . A 64 THR CG2 . 17762 1 575 . 1 1 64 64 THR N N 15 116.885 0.000 . 1 . . . A 64 THR N . 17762 1 576 . 1 1 65 65 CYS H H 1 8.790 0.000 . 1 . . . A 65 CYS H . 17762 1 577 . 1 1 65 65 CYS HA H 1 4.407 0.000 . 1 . . . A 65 CYS HA . 17762 1 578 . 1 1 65 65 CYS HB2 H 1 2.969 0.000 . 2 . . . A 65 CYS HB2 . 17762 1 579 . 1 1 65 65 CYS CA C 13 51.101 0.000 . 1 . . . A 65 CYS CA . 17762 1 580 . 1 1 65 65 CYS CB C 13 36.465 0.000 . 1 . . . A 65 CYS CB . 17762 1 581 . 1 1 65 65 CYS N N 15 124.789 0.000 . 1 . . . A 65 CYS N . 17762 1 582 . 1 1 66 66 LYS H H 1 10.959 0.000 . 1 . . . A 66 LYS H . 17762 1 583 . 1 1 66 66 LYS HA H 1 3.993 0.000 . 1 . . . A 66 LYS HA . 17762 1 584 . 1 1 66 66 LYS HB2 H 1 1.923 0.000 . 2 . . . . 66 Lys HB2 . 17762 1 585 . 1 1 66 66 LYS HG2 H 1 1.552 0.000 . 2 . . . A 66 LYS HG2 . 17762 1 586 . 1 1 66 66 LYS HD2 H 1 1.659 0.000 . 1 . . . . 66 Lys HD2 . 17762 1 587 . 1 1 66 66 LYS HE2 H 1 3.009 0.000 . 1 . . . A 66 LYS HE2 . 17762 1 588 . 1 1 66 66 LYS CA C 13 56.663 0.000 . 1 . . . A 66 LYS CA . 17762 1 589 . 1 1 66 66 LYS CB C 13 28.854 0.000 . 1 . . . A 66 LYS CB . 17762 1 590 . 1 1 66 66 LYS CG C 13 21.829 0.000 . 1 . . . A 66 LYS CG . 17762 1 591 . 1 1 66 66 LYS CD C 13 26.512 0.000 . 1 . . . A 66 LYS CD . 17762 1 592 . 1 1 66 66 LYS CE C 13 39.392 0.000 . 1 . . . A 66 LYS CE . 17762 1 593 . 1 1 66 66 LYS N N 15 128.070 0.000 . 1 . . . A 66 LYS N . 17762 1 594 . 1 1 67 67 ASP H H 1 8.021 0.000 . 1 . . . A 67 ASP H . 17762 1 595 . 1 1 67 67 ASP HA H 1 4.459 0.000 . 1 . . . A 67 ASP HA . 17762 1 596 . 1 1 67 67 ASP HB2 H 1 2.591 0.000 . 2 . . . A 67 ASP HB2 . 17762 1 597 . 1 1 67 67 ASP CA C 13 50.809 0.000 . 1 . . . A 67 ASP CA . 17762 1 598 . 1 1 67 67 ASP CB C 13 37.636 0.000 . 1 . . . A 67 ASP CB . 17762 1 599 . 1 1 67 67 ASP N N 15 117.000 0.000 . 1 . . . A 67 ASP N . 17762 1 600 . 1 1 68 68 GLY H H 1 8.029 0.000 . 1 . . . A 68 GLY H . 17762 1 601 . 1 1 68 68 GLY HA2 H 1 3.494 0.000 . 2 . . . A 68 GLY HA2 . 17762 1 602 . 1 1 68 68 GLY CA C 13 42.612 0.000 . 1 . . . A 68 GLY CA . 17762 1 603 . 1 1 68 68 GLY N N 15 108.831 0.000 . 1 . . . A 68 GLY N . 17762 1 604 . 1 1 69 69 GLN H H 1 8.115 0.000 . 1 . . . A 69 GLN H . 17762 1 605 . 1 1 69 69 GLN HA H 1 4.357 0.000 . 1 . . . A 69 GLN HA . 17762 1 606 . 1 1 69 69 GLN HB2 H 1 2.144 0.000 . 2 . . . . 69 Gln HB2 . 17762 1 607 . 1 1 69 69 GLN HG2 H 1 2.140 0.000 . 2 . . . A 69 GLN HG2 . 17762 1 608 . 1 1 69 69 GLN HE21 H 1 7.935 0.000 . 1 . . . A 69 GLN HE21 . 17762 1 609 . 1 1 69 69 GLN CA C 13 54.264 0.000 . 1 . . . A 69 GLN CA . 17762 1 610 . 1 1 69 69 GLN CB C 13 27.683 0.000 . 1 . . . A 69 GLN CB . 17762 1 611 . 1 1 69 69 GLN CG C 13 32.074 0.000 . 1 . . . A 69 GLN CG . 17762 1 612 . 1 1 69 69 GLN N N 15 120.061 0.000 . 1 . . . A 69 GLN N . 17762 1 613 . 1 1 69 69 GLN NE2 N 15 114.334 0.000 . 1 . . . A 69 GLN NE2 . 17762 1 614 . 1 1 70 70 THR H H 1 8.553 0.000 . 1 . . . A 70 THR H . 17762 1 615 . 1 1 70 70 THR HA H 1 4.475 0.000 . 1 . . . A 70 THR HA . 17762 1 616 . 1 1 70 70 THR HB H 1 4.388 0.000 . 1 . . . A 70 THR HB . 17762 1 617 . 1 1 70 70 THR HG21 H 1 1.175 0.000 . 1 . . . A 70 THR HG21 . 17762 1 618 . 1 1 70 70 THR HG22 H 1 1.175 0.000 . 1 . . . A 70 THR HG22 . 17762 1 619 . 1 1 70 70 THR HG23 H 1 1.175 0.000 . 1 . . . A 70 THR HG23 . 17762 1 620 . 1 1 70 70 THR CA C 13 58.712 0.000 . 1 . . . A 70 THR CA . 17762 1 621 . 1 1 70 70 THR CB C 13 67.201 0.000 . 1 . . . A 70 THR CB . 17762 1 622 . 1 1 70 70 THR CG2 C 13 18.609 0.000 . 1 . . . A 70 THR CG2 . 17762 1 623 . 1 1 70 70 THR N N 15 112.531 0.000 . 1 . . . A 70 THR N . 17762 1 624 . 1 1 71 71 ASN H H 1 8.219 0.000 . 1 . . . A 71 ASN H . 17762 1 625 . 1 1 71 71 ASN HA H 1 4.847 0.000 . 1 . . . A 71 ASN HA . 17762 1 626 . 1 1 71 71 ASN HB2 H 1 2.814 0.000 . 2 . . . A 71 ASN HB2 . 17762 1 627 . 1 1 71 71 ASN HD21 H 1 7.401 0.000 . 1 . . . A 71 ASN HD21 . 17762 1 628 . 1 1 71 71 ASN HD22 H 1 6.681 0.000 . 1 . . . A 71 ASN HD22 . 17762 1 629 . 1 1 71 71 ASN CA C 13 50.516 0.000 . 1 . . . A 71 ASN CA . 17762 1 630 . 1 1 71 71 ASN CB C 13 35.587 0.000 . 1 . . . A 71 ASN CB . 17762 1 631 . 1 1 71 71 ASN N N 15 119.619 0.000 . 1 . . . A 71 ASN N . 17762 1 632 . 1 1 71 71 ASN ND2 N 15 112.041 0.000 . 1 . . . A 71 ASN ND2 . 17762 1 633 . 1 1 72 72 CYS H H 1 7.477 0.000 . 1 . . . A 72 CYS H . 17762 1 634 . 1 1 72 72 CYS HA H 1 5.424 0.000 . 1 . . . A 72 CYS HA . 17762 1 635 . 1 1 72 72 CYS HB2 H 1 2.574 0.000 . 2 . . . A 72 CYS HB2 . 17762 1 636 . 1 1 72 72 CYS CA C 13 56.956 0.000 . 1 . . . A 72 CYS CA . 17762 1 637 . 1 1 72 72 CYS CB C 13 43.198 0.000 . 1 . . . A 72 CYS CB . 17762 1 638 . 1 1 72 72 CYS N N 15 118.100 0.000 . 1 . . . A 72 CYS N . 17762 1 639 . 1 1 73 73 TYR H H 1 8.983 0.000 . 1 . . . A 73 TYR H . 17762 1 640 . 1 1 73 73 TYR HA H 1 5.121 0.000 . 1 . . . A 73 TYR HA . 17762 1 641 . 1 1 73 73 TYR HB2 H 1 2.162 0.000 . 2 . . . A 73 TYR HB2 . 17762 1 642 . 1 1 73 73 TYR HD1 H 1 6.690 0.000 . 3 . . . A 73 TYR HD1 . 17762 1 643 . 1 1 73 73 TYR HD2 H 1 6.690 0.000 . 3 . . . A 73 TYR HD2 . 17762 1 644 . 1 1 73 73 TYR HE1 H 1 6.543 0.000 . 3 . . . A 73 TYR HE1 . 17762 1 645 . 1 1 73 73 TYR HE2 H 1 6.543 0.000 . 3 . . . A 73 TYR HE2 . 17762 1 646 . 1 1 73 73 TYR CA C 13 55.199 0.000 . 1 . . . A 73 TYR CA . 17762 1 647 . 1 1 73 73 TYR CB C 13 41.441 0.000 . 1 . . . A 73 TYR CB . 17762 1 648 . 1 1 73 73 TYR N N 15 119.843 0.000 . 1 . . . A 73 TYR N . 17762 1 649 . 1 1 74 74 GLN H H 1 9.477 0.000 . 1 . . . A 74 GLN H . 17762 1 650 . 1 1 74 74 GLN HA H 1 5.408 0.000 . 1 . . . A 74 GLN HA . 17762 1 651 . 1 1 74 74 GLN HB2 H 1 1.882 0.000 . 2 . . . . 74 Gln HB2 . 17762 1 652 . 1 1 74 74 GLN HG2 H 1 2.455 0.000 . 1 . . . A 74 GLN HG2 . 17762 1 653 . 1 1 74 74 GLN HE21 H 1 6.491 0.000 . 1 . . . A 74 GLN HE21 . 17762 1 654 . 1 1 74 74 GLN HE22 H 1 6.406 0.000 . 1 . . . A 74 GLN HE22 . 17762 1 655 . 1 1 74 74 GLN CA C 13 49.930 0.000 . 1 . . . A 74 GLN CA . 17762 1 656 . 1 1 74 74 GLN CB C 13 30.903 0.000 . 1 . . . A 74 GLN CB . 17762 1 657 . 1 1 74 74 GLN CG C 13 31.489 0.000 . 1 . . . A 74 GLN CG . 17762 1 658 . 1 1 74 74 GLN N N 15 123.174 0.000 . 1 . . . A 74 GLN N . 17762 1 659 . 1 1 74 74 GLN NE2 N 15 109.227 0.000 . 1 . . . A 74 GLN NE2 . 17762 1 660 . 1 1 75 75 SER H H 1 9.286 0.000 . 1 . . . A 75 SER H . 17762 1 661 . 1 1 75 75 SER HA H 1 4.679 0.000 . 1 . . . A 75 SER HA . 17762 1 662 . 1 1 75 75 SER HB2 H 1 4.798 0.000 . 1 . . . A 75 SER HB2 . 17762 1 663 . 1 1 75 75 SER CA C 13 55.764 0.000 . 1 . . . A 75 SER CA . 17762 1 664 . 1 1 75 75 SER CB C 13 62.424 0.000 . 1 . . . A 75 SER CB . 17762 1 665 . 1 1 75 75 SER N N 15 122.742 0.000 . 1 . . . A 75 SER N . 17762 1 666 . 1 1 76 76 LYS H H 1 8.938 0.000 . 1 . . . A 76 LYS H . 17762 1 667 . 1 1 76 76 LYS HA H 1 4.202 0.000 . 1 . . . A 76 LYS HA . 17762 1 668 . 1 1 76 76 LYS HB2 H 1 1.873 0.000 . 1 . . . . 76 Lys HB2 . 17762 1 669 . 1 1 76 76 LYS HG2 H 1 1.503 0.000 . 1 . . . A 76 LYS HG2 . 17762 1 670 . 1 1 76 76 LYS HD2 H 1 1.720 0.000 . 1 . . . . 76 Lys HD2 . 17762 1 671 . 1 1 76 76 LYS HE2 H 1 2.981 0.000 . 1 . . . A 76 LYS HE2 . 17762 1 672 . 1 1 76 76 LYS CA C 13 56.370 0.000 . 1 . . . A 76 LYS CA . 17762 1 673 . 1 1 76 76 LYS CB C 13 30.318 0.000 . 1 . . . A 76 LYS CB . 17762 1 674 . 1 1 76 76 LYS CG C 13 23.000 0.000 . 1 . . . A 76 LYS CG . 17762 1 675 . 1 1 76 76 LYS CD C 13 27.391 0.000 . 1 . . . A 76 LYS CD . 17762 1 676 . 1 1 76 76 LYS CE C 13 39.685 0.000 . 1 . . . A 76 LYS CE . 17762 1 677 . 1 1 76 76 LYS N N 15 127.293 0.000 . 1 . . . A 76 LYS N . 17762 1 678 . 1 1 77 77 SER H H 1 8.592 0.000 . 1 . . . A 77 SER H . 17762 1 679 . 1 1 77 77 SER HA H 1 4.888 0.000 . 1 . . . A 77 SER HA . 17762 1 680 . 1 1 77 77 SER HB2 H 1 3.756 0.000 . 2 . . . A 77 SER HB2 . 17762 1 681 . 1 1 77 77 SER HG H 1 5.550 0.000 . 1 . . . A 77 SER HG . 17762 1 682 . 1 1 77 77 SER CA C 13 53.736 0.000 . 1 . . . A 77 SER CA . 17762 1 683 . 1 1 77 77 SER CB C 13 62.810 0.000 . 1 . . . A 77 SER CB . 17762 1 684 . 1 1 77 77 SER N N 15 114.297 0.000 . 1 . . . A 77 SER N . 17762 1 685 . 1 1 78 78 THR H H 1 8.134 0.000 . 1 . . . A 78 THR H . 17762 1 686 . 1 1 78 78 THR HA H 1 3.254 0.000 . 1 . . . A 78 THR HA . 17762 1 687 . 1 1 78 78 THR HB H 1 3.685 0.000 . 1 . . . A 78 THR HB . 17762 1 688 . 1 1 78 78 THR HG21 H 1 0.722 0.000 . 1 . . . A 78 THR HG21 . 17762 1 689 . 1 1 78 78 THR HG22 H 1 0.722 0.000 . 1 . . . A 78 THR HG22 . 17762 1 690 . 1 1 78 78 THR HG23 H 1 0.722 0.000 . 1 . . . A 78 THR HG23 . 17762 1 691 . 1 1 78 78 THR CA C 13 59.883 0.000 . 1 . . . A 78 THR CA . 17762 1 692 . 1 1 78 78 THR CB C 13 66.908 0.000 . 1 . . . A 78 THR CB . 17762 1 693 . 1 1 78 78 THR CG2 C 13 18.609 0.000 . 1 . . . A 78 THR CG2 . 17762 1 694 . 1 1 78 78 THR N N 15 113.859 0.000 . 1 . . . A 78 THR N . 17762 1 695 . 1 1 79 79 MET H H 1 8.508 0.000 . 1 . . . A 79 MET H . 17762 1 696 . 1 1 79 79 MET HA H 1 4.643 0.000 . 1 . . . A 79 MET HA . 17762 1 697 . 1 1 79 79 MET HB2 H 1 1.880 0.000 . 2 . . . . 79 Met HB2 . 17762 1 698 . 1 1 79 79 MET HG2 H 1 2.754 0.000 . 2 . . . A 79 MET HG2 . 17762 1 699 . 1 1 79 79 MET CA C 13 52.858 0.000 . 1 . . . A 79 MET CA . 17762 1 700 . 1 1 79 79 MET CB C 13 34.416 0.000 . 1 . . . A 79 MET CB . 17762 1 701 . 1 1 79 79 MET CG C 13 32.074 0.000 . 1 . . . A 79 MET CG . 17762 1 702 . 1 1 79 79 MET N N 15 121.299 0.000 . 1 . . . A 79 MET N . 17762 1 703 . 1 1 80 80 ARG H H 1 9.508 0.000 . 1 . . . A 80 ARG H . 17762 1 704 . 1 1 80 80 ARG HA H 1 4.376 0.000 . 1 . . . A 80 ARG HA . 17762 1 705 . 1 1 80 80 ARG HB2 H 1 1.869 0.000 . 1 . . . . 80 Arg HB2 . 17762 1 706 . 1 1 80 80 ARG HG2 H 1 1.706 0.000 . 1 . . . A 80 ARG HG2 . 17762 1 707 . 1 1 80 80 ARG HD2 H 1 3.131 0.000 . 2 . . . A 80 ARG HD2 . 17762 1 708 . 1 1 80 80 ARG HE H 1 7.336 0.000 . 1 . . . A 80 ARG HE . 17762 1 709 . 1 1 80 80 ARG CA C 13 54.907 0.000 . 1 . . . A 80 ARG CA . 17762 1 710 . 1 1 80 80 ARG CB C 13 27.391 0.000 . 1 . . . A 80 ARG CB . 17762 1 711 . 1 1 80 80 ARG CG C 13 24.765 0.000 . 1 . . . A 80 ARG CG . 17762 1 712 . 1 1 80 80 ARG CD C 13 40.856 0.000 . 1 . . . A 80 ARG CD . 17762 1 713 . 1 1 80 80 ARG N N 15 122.767 0.000 . 1 . . . A 80 ARG N . 17762 1 714 . 1 1 80 80 ARG NE N 15 115.526 0.000 . 1 . . . A 80 ARG NE . 17762 1 715 . 1 1 81 81 ILE H H 1 8.645 0.000 . 1 . . . A 81 ILE H . 17762 1 716 . 1 1 81 81 ILE HA H 1 5.284 0.000 . 1 . . . A 81 ILE HA . 17762 1 717 . 1 1 81 81 ILE HB H 1 1.843 0.000 . 1 . . . A 81 ILE HB . 17762 1 718 . 1 1 81 81 ILE HG12 H 1 1.255 0.000 . 2 . . . . 81 Ile HG12 . 17762 1 719 . 1 1 81 81 ILE HG21 H 1 0.802 0.000 . 1 . . . A 81 ILE HG21 . 17762 1 720 . 1 1 81 81 ILE HG22 H 1 0.802 0.000 . 1 . . . A 81 ILE HG22 . 17762 1 721 . 1 1 81 81 ILE HG23 H 1 0.802 0.000 . 1 . . . A 81 ILE HG23 . 17762 1 722 . 1 1 81 81 ILE HD11 H 1 0.732 0.000 . 1 . . . A 81 ILE HD11 . 17762 1 723 . 1 1 81 81 ILE HD12 H 1 0.732 0.000 . 1 . . . A 81 ILE HD12 . 17762 1 724 . 1 1 81 81 ILE HD13 H 1 0.732 0.000 . 1 . . . A 81 ILE HD13 . 17762 1 725 . 1 1 81 81 ILE CA C 13 56.663 0.000 . 1 . . . A 81 ILE CA . 17762 1 726 . 1 1 81 81 ILE CB C 13 39.978 0.000 . 1 . . . A 81 ILE CB . 17762 1 727 . 1 1 81 81 ILE CG1 C 13 23.585 0.000 . 1 . . . A 81 ILE CG1 . 17762 1 728 . 1 1 81 81 ILE CG2 C 13 15.682 0.000 . 1 . . . A 81 ILE CG2 . 17762 1 729 . 1 1 81 81 ILE CD1 C 13 11.876 0.000 . 1 . . . A 81 ILE CD1 . 17762 1 730 . 1 1 81 81 ILE N N 15 120.594 0.000 . 1 . . . A 81 ILE N . 17762 1 731 . 1 1 82 82 THR H H 1 9.256 0.000 . 1 . . . A 82 THR H . 17762 1 732 . 1 1 82 82 THR HA H 1 5.020 0.000 . 1 . . . A 82 THR HA . 17762 1 733 . 1 1 82 82 THR HB H 1 3.928 0.000 . 1 . . . A 82 THR HB . 17762 1 734 . 1 1 82 82 THR HG21 H 1 1.232 0.000 . 1 . . . A 82 THR HG21 . 17762 1 735 . 1 1 82 82 THR HG22 H 1 1.232 0.000 . 1 . . . A 82 THR HG22 . 17762 1 736 . 1 1 82 82 THR HG23 H 1 1.232 0.000 . 1 . . . A 82 THR HG23 . 17762 1 737 . 1 1 82 82 THR CA C 13 60.176 0.000 . 1 . . . A 82 THR CA . 17762 1 738 . 1 1 82 82 THR CB C 13 68.372 0.000 . 1 . . . A 82 THR CB . 17762 1 739 . 1 1 82 82 THR CG2 C 13 18.609 0.000 . 1 . . . A 82 THR CG2 . 17762 1 740 . 1 1 82 82 THR N N 15 119.200 0.000 . 1 . . . A 82 THR N . 17762 1 741 . 1 1 83 83 ASP H H 1 9.241 0.000 . 1 . . . A 83 ASP H . 17762 1 742 . 1 1 83 83 ASP HA H 1 5.029 0.000 . 1 . . . A 83 ASP HA . 17762 1 743 . 1 1 83 83 ASP HB2 H 1 2.482 0.000 . 2 . . . A 83 ASP HB2 . 17762 1 744 . 1 1 83 83 ASP CA C 13 51.101 0.000 . 1 . . . A 83 ASP CA . 17762 1 745 . 1 1 83 83 ASP CB C 13 40.563 0.000 . 1 . . . A 83 ASP CB . 17762 1 746 . 1 1 83 83 ASP N N 15 127.841 0.000 . 1 . . . A 83 ASP N . 17762 1 747 . 1 1 84 84 CYS H H 1 8.808 0.000 . 1 . . . A 84 CYS H . 17762 1 748 . 1 1 84 84 CYS HA H 1 5.940 0.000 . 1 . . . A 84 CYS HA . 17762 1 749 . 1 1 84 84 CYS HB2 H 1 2.542 0.000 . 2 . . . A 84 CYS HB2 . 17762 1 750 . 1 1 84 84 CYS CA C 13 49.345 0.000 . 1 . . . A 84 CYS CA . 17762 1 751 . 1 1 84 84 CYS CB C 13 36.465 0.000 . 1 . . . A 84 CYS CB . 17762 1 752 . 1 1 84 84 CYS N N 15 122.123 0.000 . 1 . . . A 84 CYS N . 17762 1 753 . 1 1 85 85 ARG H H 1 8.204 0.000 . 1 . . . A 85 ARG H . 17762 1 754 . 1 1 85 85 ARG HA H 1 5.412 0.000 . 1 . . . A 85 ARG HA . 17762 1 755 . 1 1 85 85 ARG HB2 H 1 1.994 0.000 . 2 . . . . 85 Arg HB2 . 17762 1 756 . 1 1 85 85 ARG HG2 H 1 1.700 0.000 . 2 . . . A 85 ARG HG2 . 17762 1 757 . 1 1 85 85 ARG HD2 H 1 3.261 0.000 . 2 . . . . 85 Arg HD2 . 17762 1 758 . 1 1 85 85 ARG HE H 1 7.790 0.000 . 1 . . . A 85 ARG HE . 17762 1 759 . 1 1 85 85 ARG CA C 13 52.272 0.000 . 1 . . . A 85 ARG CA . 17762 1 760 . 1 1 85 85 ARG CB C 13 30.903 0.000 . 1 . . . A 85 ARG CB . 17762 1 761 . 1 1 85 85 ARG CG C 13 24.756 0.000 . 1 . . . A 85 ARG CG . 17762 1 762 . 1 1 85 85 ARG CD C 13 40.856 0.000 . 1 . . . A 85 ARG CD . 17762 1 763 . 1 1 85 85 ARG N N 15 122.200 0.000 . 1 . . . A 85 ARG N . 17762 1 764 . 1 1 85 85 ARG NE N 15 115.659 0.000 . 1 . . . A 85 ARG NE . 17762 1 765 . 1 1 86 86 GLU H H 1 8.762 0.000 . 1 . . . A 86 GLU H . 17762 1 766 . 1 1 86 86 GLU HA H 1 4.288 0.000 . 1 . . . A 86 GLU HA . 17762 1 767 . 1 1 86 86 GLU HB2 H 1 2.058 0.000 . 2 . . . . 86 Glu HB2 . 17762 1 768 . 1 1 86 86 GLU CA C 13 55.199 0.000 . 1 . . . A 86 GLU CA . 17762 1 769 . 1 1 86 86 GLU CB C 13 29.732 0.000 . 1 . . . A 86 GLU CB . 17762 1 770 . 1 1 86 86 GLU N N 15 128.674 0.000 . 1 . . . A 86 GLU N . 17762 1 771 . 1 1 87 87 THR H H 1 8.118 0.000 . 1 . . . A 87 THR H . 17762 1 772 . 1 1 87 87 THR HA H 1 4.507 0.000 . 1 . . . A 87 THR HA . 17762 1 773 . 1 1 87 87 THR HB H 1 4.542 0.000 . 1 . . . A 87 THR HB . 17762 1 774 . 1 1 87 87 THR HG21 H 1 1.093 0.000 . 1 . . . A 87 THR HG21 . 17762 1 775 . 1 1 87 87 THR HG22 H 1 1.093 0.000 . 1 . . . A 87 THR HG22 . 17762 1 776 . 1 1 87 87 THR HG23 H 1 1.093 0.000 . 1 . . . A 87 THR HG23 . 17762 1 777 . 1 1 87 87 THR CA C 13 58.127 0.000 . 1 . . . A 87 THR CA . 17762 1 778 . 1 1 87 87 THR CB C 13 68.665 0.000 . 1 . . . A 87 THR CB . 17762 1 779 . 1 1 87 87 THR CG2 C 13 19.194 0.000 . 1 . . . A 87 THR CG2 . 17762 1 780 . 1 1 87 87 THR N N 15 115.660 0.000 . 1 . . . A 87 THR N . 17762 1 781 . 1 1 88 88 GLY H H 1 8.774 0.000 . 1 . . . A 88 GLY H . 17762 1 782 . 1 1 88 88 GLY HA2 H 1 3.963 0.000 . 2 . . . . 88 Gly HA2 . 17762 1 783 . 1 1 88 88 GLY CA C 13 43.490 0.000 . 1 . . . A 88 GLY CA . 17762 1 784 . 1 1 88 88 GLY N N 15 107.768 0.000 . 1 . . . A 88 GLY N . 17762 1 785 . 1 1 89 89 SER H H 1 7.597 0.000 . 1 . . . A 89 SER H . 17762 1 786 . 1 1 89 89 SER HA H 1 4.503 0.000 . 1 . . . A 89 SER HA . 17762 1 787 . 1 1 89 89 SER HB2 H 1 3.772 0.000 . 2 . . . A 89 SER HB2 . 17762 1 788 . 1 1 89 89 SER CA C 13 55.199 0.000 . 1 . . . A 89 SER CA . 17762 1 789 . 1 1 89 89 SER CB C 13 61.054 0.000 . 1 . . . A 89 SER CB . 17762 1 790 . 1 1 89 89 SER N N 15 112.931 0.000 . 1 . . . A 89 SER N . 17762 1 791 . 1 1 90 90 SER H H 1 6.989 0.000 . 1 . . . A 90 SER H . 17762 1 792 . 1 1 90 90 SER HA H 1 3.943 0.000 . 1 . . . A 90 SER HA . 17762 1 793 . 1 1 90 90 SER HB2 H 1 3.852 0.000 . 2 . . . A 90 SER HB2 . 17762 1 794 . 1 1 90 90 SER CA C 13 56.370 0.000 . 1 . . . A 90 SER CA . 17762 1 795 . 1 1 90 90 SER CB C 13 60.468 0.000 . 1 . . . A 90 SER CB . 17762 1 796 . 1 1 90 90 SER N N 15 118.245 0.000 . 1 . . . A 90 SER N . 17762 1 797 . 1 1 91 91 LYS H H 1 7.527 0.000 . 1 . . . A 91 LYS H . 17762 1 798 . 1 1 91 91 LYS HA H 1 4.431 0.000 . 1 . . . A 91 LYS HA . 17762 1 799 . 1 1 91 91 LYS HB2 H 1 1.717 0.000 . 1 . . . A 91 LYS HB2 . 17762 1 800 . 1 1 91 91 LYS HG2 H 1 1.367 0.000 . 1 . . . . 91 Lys HG2 . 17762 1 801 . 1 1 91 91 LYS HE2 H 1 3.035 0.000 . 1 . . . . 91 Lys HE2 . 17762 1 802 . 1 1 91 91 LYS CA C 13 53.443 0.000 . 1 . . . A 91 LYS CA . 17762 1 803 . 1 1 91 91 LYS CB C 13 31.489 0.000 . 1 . . . A 91 LYS CB . 17762 1 804 . 1 1 91 91 LYS CG C 13 21.536 0.000 . 1 . . . A 91 LYS CG . 17762 1 805 . 1 1 91 91 LYS CE C 13 40.270 0.000 . 1 . . . A 91 LYS CE . 17762 1 806 . 1 1 91 91 LYS N N 15 129.777 0.000 . 1 . . . A 91 LYS N . 17762 1 807 . 1 1 92 92 TYR H H 1 9.290 0.000 . 1 . . . A 92 TYR H . 17762 1 808 . 1 1 92 92 TYR HA H 1 3.718 0.000 . 1 . . . A 92 TYR HA . 17762 1 809 . 1 1 92 92 TYR HB2 H 1 3.407 0.000 . 2 . . . . 92 Tyr HB2 . 17762 1 810 . 1 1 92 92 TYR HD1 H 1 6.896 0.000 . 3 . . . A 92 TYR HD1 . 17762 1 811 . 1 1 92 92 TYR HD2 H 1 6.896 0.000 . 3 . . . A 92 TYR HD2 . 17762 1 812 . 1 1 92 92 TYR HE1 H 1 6.957 0.000 . 3 . . . A 92 TYR HE1 . 17762 1 813 . 1 1 92 92 TYR HE2 H 1 6.957 0.000 . 3 . . . A 92 TYR HE2 . 17762 1 814 . 1 1 92 92 TYR CA C 13 56.078 0.000 . 1 . . . A 92 TYR CA . 17762 1 815 . 1 1 92 92 TYR CB C 13 35.880 0.000 . 1 . . . A 92 TYR CB . 17762 1 816 . 1 1 92 92 TYR N N 15 131.912 0.000 . 1 . . . A 92 TYR N . 17762 1 817 . 1 1 93 93 PRO HA H 1 3.028 0.000 . 1 . . . A 93 PRO HA . 17762 1 818 . 1 1 93 93 PRO HB2 H 1 1.187 0.000 . 2 . . . . 93 Pro HB2 . 17762 1 819 . 1 1 93 93 PRO HG2 H 1 1.728 0.000 . 2 . . . A 93 PRO HG2 . 17762 1 820 . 1 1 93 93 PRO HD2 H 1 3.362 0.000 . 2 . . . . 93 Pro HD2 . 17762 1 821 . 1 1 93 93 PRO CA C 13 61.347 0.000 . 1 . . . A 93 PRO CA . 17762 1 822 . 1 1 93 93 PRO CB C 13 31.196 0.000 . 1 . . . A 93 PRO CB . 17762 1 823 . 1 1 93 93 PRO CG C 13 21.536 0.000 . 1 . . . A 93 PRO CG . 17762 1 824 . 1 1 93 93 PRO CD C 13 47.296 0.000 . 1 . . . A 93 PRO CD . 17762 1 825 . 1 1 94 94 ASN H H 1 8.823 0.000 . 1 . . . A 94 ASN H . 17762 1 826 . 1 1 94 94 ASN HA H 1 4.943 0.000 . 1 . . . A 94 ASN HA . 17762 1 827 . 1 1 94 94 ASN HB2 H 1 2.711 0.000 . 1 . . . . 94 Asn HB2 . 17762 1 828 . 1 1 94 94 ASN HD21 H 1 7.678 0.000 . 1 . . . A 94 ASN HD21 . 17762 1 829 . 1 1 94 94 ASN HD22 H 1 6.920 0.000 . 1 . . . A 94 ASN HD22 . 17762 1 830 . 1 1 94 94 ASN CA C 13 49.630 0.000 . 1 . . . A 94 ASN CA . 17762 1 831 . 1 1 94 94 ASN CB C 13 35.001 0.000 . 1 . . . A 94 ASN CB . 17762 1 832 . 1 1 94 94 ASN N N 15 130.934 0.000 . 1 . . . A 94 ASN N . 17762 1 833 . 1 1 94 94 ASN ND2 N 15 114.711 0.000 . 1 . . . A 94 ASN ND2 . 17762 1 834 . 1 1 95 95 CYS H H 1 7.687 0.000 . 1 . . . A 95 CYS H . 17762 1 835 . 1 1 95 95 CYS HA H 1 4.840 0.000 . 1 . . . A 95 CYS HA . 17762 1 836 . 1 1 95 95 CYS HB2 H 1 2.836 0.000 . 2 . . . A 95 CYS HB2 . 17762 1 837 . 1 1 95 95 CYS CA C 13 50.516 0.000 . 1 . . . A 95 CYS CA . 17762 1 838 . 1 1 95 95 CYS CB C 13 35.880 0.000 . 1 . . . A 95 CYS CB . 17762 1 839 . 1 1 95 95 CYS N N 15 122.402 0.000 . 1 . . . A 95 CYS N . 17762 1 840 . 1 1 96 96 ALA H H 1 8.634 0.000 . 1 . . . A 96 ALA H . 17762 1 841 . 1 1 96 96 ALA HA H 1 4.746 0.000 . 1 . . . A 96 ALA HA . 17762 1 842 . 1 1 96 96 ALA HB1 H 1 1.176 0.000 . 1 . . . A 96 ALA HB1 . 17762 1 843 . 1 1 96 96 ALA HB2 H 1 1.176 0.000 . 1 . . . A 96 ALA HB2 . 17762 1 844 . 1 1 96 96 ALA HB3 H 1 1.176 0.000 . 1 . . . A 96 ALA HB3 . 17762 1 845 . 1 1 96 96 ALA CA C 13 49.052 0.000 . 1 . . . A 96 ALA CA . 17762 1 846 . 1 1 96 96 ALA CB C 13 19.194 0.000 . 1 . . . A 96 ALA CB . 17762 1 847 . 1 1 96 96 ALA N N 15 129.346 0.000 . 1 . . . A 96 ALA N . 17762 1 848 . 1 1 97 97 TYR H H 1 9.368 0.000 . 1 . . . A 97 TYR H . 17762 1 849 . 1 1 97 97 TYR HA H 1 4.904 0.000 . 1 . . . A 97 TYR HA . 17762 1 850 . 1 1 97 97 TYR HB2 H 1 2.509 0.000 . 2 . . . . 97 Tyr HB2 . 17762 1 851 . 1 1 97 97 TYR HD1 H 1 6.432 0.000 . 3 . . . A 97 TYR HD1 . 17762 1 852 . 1 1 97 97 TYR HD2 H 1 6.432 0.000 . 3 . . . A 97 TYR HD2 . 17762 1 853 . 1 1 97 97 TYR HE1 H 1 6.957 0.000 . 3 . . . A 97 TYR HE1 . 17762 1 854 . 1 1 97 97 TYR HE2 H 1 6.957 0.000 . 3 . . . A 97 TYR HE2 . 17762 1 855 . 1 1 97 97 TYR CA C 13 55.785 0.000 . 1 . . . A 97 TYR CA . 17762 1 856 . 1 1 97 97 TYR CB C 13 41.441 0.000 . 1 . . . A 97 TYR CB . 17762 1 857 . 1 1 97 97 TYR N N 15 118.353 0.000 . 1 . . . A 97 TYR N . 17762 1 858 . 1 1 98 98 LYS H H 1 9.427 0.000 . 1 . . . A 98 LYS H . 17762 1 859 . 1 1 98 98 LYS HA H 1 4.743 0.000 . 1 . . . A 98 LYS HA . 17762 1 860 . 1 1 98 98 LYS HB2 H 1 1.908 0.000 . 2 . . . . 98 Lys HB2 . 17762 1 861 . 1 1 98 98 LYS HG2 H 1 1.398 0.000 . 2 . . . A 98 LYS HG2 . 17762 1 862 . 1 1 98 98 LYS HE2 H 1 3.194 0.000 . 2 . . . . 98 Lys HE2 . 17762 1 863 . 1 1 98 98 LYS CA C 13 52.565 0.000 . 1 . . . A 98 LYS CA . 17762 1 864 . 1 1 98 98 LYS CB C 13 31.489 0.000 . 1 . . . A 98 LYS CB . 17762 1 865 . 1 1 98 98 LYS CG C 13 22.414 0.000 . 1 . . . A 98 LYS CG . 17762 1 866 . 1 1 98 98 LYS CE C 13 39.685 0.000 . 1 . . . A 98 LYS CE . 17762 1 867 . 1 1 98 98 LYS N N 15 125.559 0.000 . 1 . . . A 98 LYS N . 17762 1 868 . 1 1 99 99 THR H H 1 9.055 0.000 . 1 . . . A 99 THR H . 17762 1 869 . 1 1 99 99 THR HA H 1 5.243 0.000 . 1 . . . A 99 THR HA . 17762 1 870 . 1 1 99 99 THR HB H 1 4.251 0.000 . 1 . . . A 99 THR HB . 17762 1 871 . 1 1 99 99 THR HG21 H 1 1.326 0.000 . 1 . . . A 99 THR HG21 . 17762 1 872 . 1 1 99 99 THR HG22 H 1 1.326 0.000 . 1 . . . A 99 THR HG22 . 17762 1 873 . 1 1 99 99 THR HG23 H 1 1.326 0.000 . 1 . . . A 99 THR HG23 . 17762 1 874 . 1 1 99 99 THR CA C 13 60.176 0.000 . 1 . . . A 99 THR CA . 17762 1 875 . 1 1 99 99 THR CB C 13 68.665 0.000 . 1 . . . A 99 THR CB . 17762 1 876 . 1 1 99 99 THR CG2 C 13 18.902 0.000 . 1 . . . A 99 THR CG2 . 17762 1 877 . 1 1 99 99 THR N N 15 126.667 0.000 . 1 . . . A 99 THR N . 17762 1 878 . 1 1 100 100 THR H H 1 8.855 0.000 . 1 . . . A 100 THR H . 17762 1 879 . 1 1 100 100 THR HA H 1 4.637 0.000 . 1 . . . A 100 THR HA . 17762 1 880 . 1 1 100 100 THR HB H 1 4.104 0.000 . 1 . . . A 100 THR HB . 17762 1 881 . 1 1 100 100 THR HG21 H 1 1.236 0.000 . 1 . . . A 100 THR HG21 . 17762 1 882 . 1 1 100 100 THR HG22 H 1 1.236 0.000 . 1 . . . A 100 THR HG22 . 17762 1 883 . 1 1 100 100 THR HG23 H 1 1.236 0.000 . 1 . . . A 100 THR HG23 . 17762 1 884 . 1 1 100 100 THR CA C 13 59.883 0.000 . 1 . . . A 100 THR CA . 17762 1 885 . 1 1 100 100 THR CB C 13 68.372 0.000 . 1 . . . A 100 THR CB . 17762 1 886 . 1 1 100 100 THR CG2 C 13 18.609 0.000 . 1 . . . A 100 THR CG2 . 17762 1 887 . 1 1 100 100 THR N N 15 124.517 0.000 . 1 . . . A 100 THR N . 17762 1 888 . 1 1 101 101 GLN H H 1 8.823 0.000 . 1 . . . A 101 GLN H . 17762 1 889 . 1 1 101 101 GLN HA H 1 5.180 0.000 . 1 . . . A 101 GLN HA . 17762 1 890 . 1 1 101 101 GLN HB2 H 1 2.094 0.000 . 2 . . . . 101 Gln HB2 . 17762 1 891 . 1 1 101 101 GLN HG2 H 1 2.320 0.000 . 2 . . . A 101 GLN HG2 . 17762 1 892 . 1 1 101 101 GLN HE21 H 1 7.211 0.000 . 1 . . . A 101 GLN HE21 . 17762 1 893 . 1 1 101 101 GLN HE22 H 1 6.985 0.000 . 1 . . . A 101 GLN HE22 . 17762 1 894 . 1 1 101 101 GLN CA C 13 53.150 0.000 . 1 . . . A 101 GLN CA . 17762 1 895 . 1 1 101 101 GLN CB C 13 27.098 0.000 . 1 . . . A 101 GLN CB . 17762 1 896 . 1 1 101 101 GLN CG C 13 31.781 0.000 . 1 . . . A 101 GLN CG . 17762 1 897 . 1 1 101 101 GLN N N 15 128.586 0.000 . 1 . . . A 101 GLN N . 17762 1 898 . 1 1 101 101 GLN NE2 N 15 111.790 0.000 . 1 . . . A 101 GLN NE2 . 17762 1 899 . 1 1 102 102 VAL H H 1 8.643 0.000 . 1 . . . A 102 VAL H . 17762 1 900 . 1 1 102 102 VAL HA H 1 4.639 0.000 . 1 . . . A 102 VAL HA . 17762 1 901 . 1 1 102 102 VAL HB H 1 2.068 0.000 . 1 . . . A 102 VAL HB . 17762 1 902 . 1 1 102 102 VAL HG11 H 1 0.820 0.000 . 2 . . . A 102 VAL HG11 . 17762 1 903 . 1 1 102 102 VAL HG12 H 1 0.820 0.000 . 2 . . . A 102 VAL HG12 . 17762 1 904 . 1 1 102 102 VAL HG13 H 1 0.820 0.000 . 2 . . . A 102 VAL HG13 . 17762 1 905 . 1 1 102 102 VAL HG21 H 1 0.808 0.000 . 2 . . . A 102 VAL HG21 . 17762 1 906 . 1 1 102 102 VAL HG22 H 1 0.808 0.000 . 2 . . . A 102 VAL HG22 . 17762 1 907 . 1 1 102 102 VAL HG23 H 1 0.808 0.000 . 2 . . . A 102 VAL HG23 . 17762 1 908 . 1 1 102 102 VAL CA C 13 57.834 0.000 . 1 . . . A 102 VAL CA . 17762 1 909 . 1 1 102 102 VAL CB C 13 34.123 0.000 . 1 . . . A 102 VAL CB . 17762 1 910 . 1 1 102 102 VAL CG1 C 13 19.780 0.000 . 2 . . . A 102 VAL CG1 . 17762 1 911 . 1 1 102 102 VAL CG2 C 13 16.852 0.000 . 2 . . . A 102 VAL CG2 . 17762 1 912 . 1 1 102 102 VAL N N 15 121.495 0.000 . 1 . . . A 102 VAL N . 17762 1 913 . 1 1 103 103 GLU H H 1 8.068 0.000 . 1 . . . A 103 GLU H . 17762 1 914 . 1 1 103 103 GLU HA H 1 5.400 0.000 . 1 . . . A 103 GLU HA . 17762 1 915 . 1 1 103 103 GLU HB2 H 1 1.694 0.000 . 2 . . . A 103 GLU HB2 . 17762 1 916 . 1 1 103 103 GLU HG2 H 1 2.001 0.000 . 2 . . . A 103 GLU HG2 . 17762 1 917 . 1 1 103 103 GLU CA C 13 52.565 0.000 . 1 . . . A 103 GLU CA . 17762 1 918 . 1 1 103 103 GLU CB C 13 28.269 0.000 . 1 . . . A 103 GLU CB . 17762 1 919 . 1 1 103 103 GLU CG C 13 34.709 0.000 . 1 . . . A 103 GLU CG . 17762 1 920 . 1 1 103 103 GLU N N 15 122.031 0.000 . 1 . . . A 103 GLU N . 17762 1 921 . 1 1 104 104 LYS H H 1 8.336 0.000 . 1 . . . A 104 LYS H . 17762 1 922 . 1 1 104 104 LYS HA H 1 4.795 0.000 . 1 . . . A 104 LYS HA . 17762 1 923 . 1 1 104 104 LYS HB2 H 1 2.284 0.000 . 2 . . . . 104 Lys HB2 . 17762 1 924 . 1 1 104 104 LYS HG2 H 1 1.588 0.000 . 1 . . . A 104 LYS HG2 . 17762 1 925 . 1 1 104 104 LYS HE2 H 1 2.849 0.000 . 1 . . . . 104 Lys HE2 . 17762 1 926 . 1 1 104 104 LYS CA C 13 51.979 0.000 . 1 . . . A 104 LYS CA . 17762 1 927 . 1 1 104 104 LYS CB C 13 37.050 0.000 . 1 . . . A 104 LYS CB . 17762 1 928 . 1 1 104 104 LYS CG C 13 27.098 0.000 . 1 . . . A 104 LYS CG . 17762 1 929 . 1 1 104 104 LYS CE C 13 39.685 0.000 . 1 . . . A 104 LYS CE . 17762 1 930 . 1 1 104 104 LYS N N 15 122.283 0.000 . 1 . . . A 104 LYS N . 17762 1 931 . 1 1 105 105 HIS H H 1 9.202 0.000 . 1 . . . A 105 HIS H . 17762 1 932 . 1 1 105 105 HIS HA H 1 4.407 0.000 . 1 . . . A 105 HIS HA . 17762 1 933 . 1 1 105 105 HIS HB2 H 1 3.220 0.000 . 2 . . . . 105 His HB2 . 17762 1 934 . 1 1 105 105 HIS HD2 H 1 7.340 0.000 . 1 . . . A 105 HIS HD2 . 17762 1 935 . 1 1 105 105 HIS HE1 H 1 8.454 0.000 . 1 . . . A 105 HIS HE1 . 17762 1 936 . 1 1 105 105 HIS CA C 13 54.321 0.000 . 1 . . . A 105 HIS CA . 17762 1 937 . 1 1 105 105 HIS CB C 13 25.341 0.000 . 1 . . . A 105 HIS CB . 17762 1 938 . 1 1 105 105 HIS N N 15 119.366 0.000 . 1 . . . A 105 HIS N . 17762 1 939 . 1 1 106 106 ILE H H 1 8.447 0.000 . 1 . . . A 106 ILE H . 17762 1 940 . 1 1 106 106 ILE HA H 1 4.997 0.000 . 1 . . . A 106 ILE HA . 17762 1 941 . 1 1 106 106 ILE HB H 1 1.785 0.000 . 1 . . . A 106 ILE HB . 17762 1 942 . 1 1 106 106 ILE HG12 H 1 1.562 0.000 . 2 . . . . 106 Ile HG12 . 17762 1 943 . 1 1 106 106 ILE HG21 H 1 1.023 0.000 . 1 . . . A 106 ILE HG21 . 17762 1 944 . 1 1 106 106 ILE HG22 H 1 1.023 0.000 . 1 . . . A 106 ILE HG22 . 17762 1 945 . 1 1 106 106 ILE HG23 H 1 1.023 0.000 . 1 . . . A 106 ILE HG23 . 17762 1 946 . 1 1 106 106 ILE HD11 H 1 1.023 0.000 . 1 . . . A 106 ILE HD11 . 17762 1 947 . 1 1 106 106 ILE HD12 H 1 1.023 0.000 . 1 . . . A 106 ILE HD12 . 17762 1 948 . 1 1 106 106 ILE HD13 H 1 1.023 0.000 . 1 . . . A 106 ILE HD13 . 17762 1 949 . 1 1 106 106 ILE CA C 13 57.541 0.000 . 1 . . . A 106 ILE CA . 17762 1 950 . 1 1 106 106 ILE CB C 13 38.807 0.000 . 1 . . . A 106 ILE CB . 17762 1 951 . 1 1 106 106 ILE CG1 C 13 22.707 0.000 . 1 . . . A 106 ILE CG1 . 17762 1 952 . 1 1 106 106 ILE CG2 C 13 15.389 0.000 . 1 . . . A 106 ILE CG2 . 17762 1 953 . 1 1 106 106 ILE CD1 C 13 13.340 0.000 . 1 . . . A 106 ILE CD1 . 17762 1 954 . 1 1 106 106 ILE N N 15 114.175 0.000 . 1 . . . A 106 ILE N . 17762 1 955 . 1 1 107 107 ILE H H 1 8.314 0.000 . 1 . . . A 107 ILE H . 17762 1 956 . 1 1 107 107 ILE HA H 1 5.296 0.000 . 1 . . . A 107 ILE HA . 17762 1 957 . 1 1 107 107 ILE HB H 1 1.470 0.000 . 1 . . . A 107 ILE HB . 17762 1 958 . 1 1 107 107 ILE HG12 H 1 1.341 0.000 . 1 . . . . 107 Ile HG12 . 17762 1 959 . 1 1 107 107 ILE HG21 H 1 0.633 0.000 . 1 . . . A 107 ILE HG21 . 17762 1 960 . 1 1 107 107 ILE HG22 H 1 0.633 0.000 . 1 . . . A 107 ILE HG22 . 17762 1 961 . 1 1 107 107 ILE HG23 H 1 0.633 0.000 . 1 . . . A 107 ILE HG23 . 17762 1 962 . 1 1 107 107 ILE HD11 H 1 0.735 0.000 . 1 . . . A 107 ILE HD11 . 17762 1 963 . 1 1 107 107 ILE HD12 H 1 0.735 0.000 . 1 . . . A 107 ILE HD12 . 17762 1 964 . 1 1 107 107 ILE HD13 H 1 0.735 0.000 . 1 . . . A 107 ILE HD13 . 17762 1 965 . 1 1 107 107 ILE CA C 13 57.541 0.000 . 1 . . . A 107 ILE CA . 17762 1 966 . 1 1 107 107 ILE CB C 13 36.758 0.000 . 1 . . . A 107 ILE CB . 17762 1 967 . 1 1 107 107 ILE CG1 C 13 25.630 0.000 . 1 . . . A 107 ILE CG1 . 17762 1 968 . 1 1 107 107 ILE CG2 C 13 16.852 0.000 . 1 . . . A 107 ILE CG2 . 17762 1 969 . 1 1 107 107 ILE CD1 C 13 12.169 0.000 . 1 . . . A 107 ILE CD1 . 17762 1 970 . 1 1 107 107 ILE N N 15 122.400 0.000 . 1 . . . A 107 ILE N . 17762 1 971 . 1 1 108 108 VAL H H 1 8.907 0.000 . 1 . . . A 108 VAL H . 17762 1 972 . 1 1 108 108 VAL HA H 1 4.888 0.000 . 1 . . . A 108 VAL HA . 17762 1 973 . 1 1 108 108 VAL HB H 1 2.153 0.000 . 1 . . . A 108 VAL HB . 17762 1 974 . 1 1 108 108 VAL HG11 H 1 0.775 0.000 . 2 . . . A 108 VAL HG11 . 17762 1 975 . 1 1 108 108 VAL HG12 H 1 0.775 0.000 . 2 . . . A 108 VAL HG12 . 17762 1 976 . 1 1 108 108 VAL HG13 H 1 0.775 0.000 . 2 . . . A 108 VAL HG13 . 17762 1 977 . 1 1 108 108 VAL HG21 H 1 0.643 0.000 . 2 . . . A 108 VAL HG21 . 17762 1 978 . 1 1 108 108 VAL HG22 H 1 0.643 0.000 . 2 . . . A 108 VAL HG22 . 17762 1 979 . 1 1 108 108 VAL HG23 H 1 0.643 0.000 . 2 . . . A 108 VAL HG23 . 17762 1 980 . 1 1 108 108 VAL CA C 13 55.199 0.000 . 1 . . . A 108 VAL CA . 17762 1 981 . 1 1 108 108 VAL CB C 13 32.074 0.000 . 1 . . . A 108 VAL CB . 17762 1 982 . 1 1 108 108 VAL CG1 C 13 20.072 0.000 . 2 . . . A 108 VAL CG1 . 17762 1 983 . 1 1 108 108 VAL CG2 C 13 14.803 0.000 . 2 . . . A 108 VAL CG2 . 17762 1 984 . 1 1 108 108 VAL N N 15 118.187 0.000 . 1 . . . A 108 VAL N . 17762 1 985 . 1 1 109 109 ALA H H 1 8.706 0.000 . 1 . . . A 109 ALA H . 17762 1 986 . 1 1 109 109 ALA HA H 1 5.296 0.000 . 1 . . . A 109 ALA HA . 17762 1 987 . 1 1 109 109 ALA HB1 H 1 1.463 0.000 . 1 . . . A 109 ALA HB1 . 17762 1 988 . 1 1 109 109 ALA HB2 H 1 1.463 0.000 . 1 . . . A 109 ALA HB2 . 17762 1 989 . 1 1 109 109 ALA HB3 H 1 1.463 0.000 . 1 . . . A 109 ALA HB3 . 17762 1 990 . 1 1 109 109 ALA CA C 13 48.174 0.000 . 1 . . . A 109 ALA CA . 17762 1 991 . 1 1 109 109 ALA CB C 13 19.194 0.000 . 1 . . . A 109 ALA CB . 17762 1 992 . 1 1 109 109 ALA N N 15 122.660 0.000 . 1 . . . A 109 ALA N . 17762 1 993 . 1 1 110 110 CYS H H 1 8.797 0.000 . 1 . . . A 110 CYS H . 17762 1 994 . 1 1 110 110 CYS HA H 1 5.680 0.000 . 1 . . . A 110 CYS HA . 17762 1 995 . 1 1 110 110 CYS HB2 H 1 2.757 0.000 . 2 . . . A 110 CYS HB2 . 17762 1 996 . 1 1 110 110 CYS CA C 13 53.443 0.000 . 1 . . . A 110 CYS CA . 17762 1 997 . 1 1 110 110 CYS CB C 13 47.003 0.000 . 1 . . . A 110 CYS CB . 17762 1 998 . 1 1 110 110 CYS N N 15 120.404 0.000 . 1 . . . A 110 CYS N . 17762 1 999 . 1 1 111 111 GLY H H 1 9.107 0.000 . 1 . . . A 111 GLY H . 17762 1 1000 . 1 1 111 111 GLY HA2 H 1 3.914 0.000 . 2 . . . A 111 GLY HA2 . 17762 1 1001 . 1 1 111 111 GLY CA C 13 42.905 0.000 . 1 . . . A 111 GLY CA . 17762 1 1002 . 1 1 111 111 GLY N N 15 111.123 0.000 . 1 . . . A 111 GLY N . 17762 1 1003 . 1 1 112 112 GLY H H 1 8.206 0.000 . 1 . . . A 112 GLY H . 17762 1 1004 . 1 1 112 112 GLY HA2 H 1 3.677 0.000 . 2 . . . A 112 GLY HA2 . 17762 1 1005 . 1 1 112 112 GLY CA C 13 40.856 0.000 . 1 . . . A 112 GLY CA . 17762 1 1006 . 1 1 112 112 GLY N N 15 107.554 0.000 . 1 . . . A 112 GLY N . 17762 1 1007 . 1 1 113 113 LYS H H 1 7.774 0.000 . 1 . . . A 113 LYS H . 17762 1 1008 . 1 1 113 113 LYS HA H 1 4.384 0.000 . 1 . . . A 113 LYS HA . 17762 1 1009 . 1 1 113 113 LYS HB2 H 1 1.630 0.000 . 2 . . . . 113 Lys HB2 . 17762 1 1010 . 1 1 113 113 LYS HG2 H 1 1.207 0.000 . 2 . . . A 113 LYS HG2 . 17762 1 1011 . 1 1 113 113 LYS HE2 H 1 2.955 0.000 . 1 . . . A 113 LYS HE2 . 17762 1 1012 . 1 1 113 113 LYS CA C 13 51.100 0.000 . 1 . . . A 113 LYS CA . 17762 1 1013 . 1 1 113 113 LYS CB C 13 32.367 0.000 . 1 . . . A 113 LYS CB . 17762 1 1014 . 1 1 113 113 LYS CG C 13 21.536 0.000 . 1 . . . A 113 LYS CG . 17762 1 1015 . 1 1 113 113 LYS CE C 13 39.392 0.000 . 1 . . . A 113 LYS CE . 17762 1 1016 . 1 1 113 113 LYS N N 15 118.578 0.000 . 1 . . . A 113 LYS N . 17762 1 1017 . 1 1 114 114 PRO HA H 1 4.615 0.000 . 1 . . . A 114 PRO HA . 17762 1 1018 . 1 1 114 114 PRO HB2 H 1 2.337 0.000 . 2 . . . . 114 Pro HB2 . 17762 1 1019 . 1 1 114 114 PRO HG2 H 1 1.759 0.000 . 2 . . . A 114 PRO HG2 . 17762 1 1020 . 1 1 114 114 PRO HD2 H 1 3.561 0.000 . 2 . . . . 114 Pro HD2 . 17762 1 1021 . 1 1 114 114 PRO CA C 13 60.448 0.000 . 1 . . . A 114 PRO CA . 17762 1 1022 . 1 1 114 114 PRO CB C 13 31.781 0.000 . 1 . . . A 114 PRO CB . 17762 1 1023 . 1 1 114 114 PRO CG C 13 22.707 0.000 . 1 . . . A 114 PRO CG . 17762 1 1024 . 1 1 114 114 PRO CD C 13 47.589 0.000 . 1 . . . A 114 PRO CD . 17762 1 1025 . 1 1 115 115 SER H H 1 8.201 0.000 . 1 . . . A 115 SER H . 17762 1 1026 . 1 1 115 115 SER HA H 1 3.954 0.000 . 1 . . . A 115 SER HA . 17762 1 1027 . 1 1 115 115 SER HB2 H 1 3.598 0.000 . 2 . . . . 115 Ser HB2 . 17762 1 1028 . 1 1 115 115 SER CA C 13 56.078 0.000 . 1 . . . A 115 SER CA . 17762 1 1029 . 1 1 115 115 SER CB C 13 60.761 0.000 . 1 . . . A 115 SER CB . 17762 1 1030 . 1 1 115 115 SER N N 15 116.201 0.000 . 1 . . . A 115 SER N . 17762 1 1031 . 1 1 116 116 VAL H H 1 8.511 0.000 . 1 . . . A 116 VAL H . 17762 1 1032 . 1 1 116 116 VAL HA H 1 4.858 0.000 . 1 . . . A 116 VAL HA . 17762 1 1033 . 1 1 116 116 VAL HB H 1 2.100 0.000 . 1 . . . A 116 VAL HB . 17762 1 1034 . 1 1 116 116 VAL HG11 H 1 0.839 0.000 . 1 . . . A 116 VAL HG11 . 17762 1 1035 . 1 1 116 116 VAL HG12 H 1 0.839 0.000 . 1 . . . A 116 VAL HG12 . 17762 1 1036 . 1 1 116 116 VAL HG13 H 1 0.839 0.000 . 1 . . . A 116 VAL HG13 . 17762 1 1037 . 1 1 116 116 VAL HG21 H 1 0.839 0.000 . 1 . . . A 116 VAL HG21 . 17762 1 1038 . 1 1 116 116 VAL HG22 H 1 0.839 0.000 . 1 . . . A 116 VAL HG22 . 17762 1 1039 . 1 1 116 116 VAL HG23 H 1 0.839 0.000 . 1 . . . A 116 VAL HG23 . 17762 1 1040 . 1 1 116 116 VAL CA C 13 56.078 0.000 . 1 . . . A 116 VAL CA . 17762 1 1041 . 1 1 116 116 VAL CB C 13 31.196 0.000 . 1 . . . A 116 VAL CB . 17762 1 1042 . 1 1 116 116 VAL CG1 C 13 19.194 0.000 . 2 . . . A 116 VAL CG1 . 17762 1 1043 . 1 1 116 116 VAL CG2 C 13 15.682 0.000 . 2 . . . A 116 VAL CG2 . 17762 1 1044 . 1 1 116 116 VAL N N 15 120.540 0.000 . 1 . . . A 116 VAL N . 17762 1 1045 . 1 1 117 117 PRO HA H 1 4.508 0.000 . 1 . . . A 117 PRO HA . 17762 1 1046 . 1 1 117 117 PRO HB2 H 1 0.957 0.000 . 2 . . . . 117 Pro HB2 . 17762 1 1047 . 1 1 117 117 PRO HG2 H 1 1.525 0.000 . 1 . . . A 117 PRO HG2 . 17762 1 1048 . 1 1 117 117 PRO HD2 H 1 3.621 0.000 . 2 . . . . 117 Pro HD2 . 17762 1 1049 . 1 1 117 117 PRO CA C 13 60.468 0.000 . 1 . . . A 117 PRO CA . 17762 1 1050 . 1 1 117 117 PRO CB C 13 27.391 0.000 . 1 . . . A 117 PRO CB . 17762 1 1051 . 1 1 117 117 PRO CG C 13 25.634 0.000 . 1 . . . A 117 PRO CG . 17762 1 1052 . 1 1 117 117 PRO CD C 13 48.174 0.000 . 1 . . . A 117 PRO CD . 17762 1 1053 . 1 1 118 118 VAL H H 1 8.927 0.000 . 1 . . . A 118 VAL H . 17762 1 1054 . 1 1 118 118 VAL HA H 1 4.532 0.000 . 1 . . . A 118 VAL HA . 17762 1 1055 . 1 1 118 118 VAL HB H 1 2.310 0.000 . 1 . . . A 118 VAL HB . 17762 1 1056 . 1 1 118 118 VAL HG11 H 1 0.788 0.000 . 2 . . . A 118 VAL HG11 . 17762 1 1057 . 1 1 118 118 VAL HG12 H 1 0.788 0.000 . 2 . . . A 118 VAL HG12 . 17762 1 1058 . 1 1 118 118 VAL HG13 H 1 0.788 0.000 . 2 . . . A 118 VAL HG13 . 17762 1 1059 . 1 1 118 118 VAL HG21 H 1 0.603 0.000 . 2 . . . A 118 VAL HG21 . 17762 1 1060 . 1 1 118 118 VAL HG22 H 1 0.603 0.000 . 2 . . . A 118 VAL HG22 . 17762 1 1061 . 1 1 118 118 VAL HG23 H 1 0.603 0.000 . 2 . . . A 118 VAL HG23 . 17762 1 1062 . 1 1 118 118 VAL CA C 13 58.419 0.000 . 1 . . . A 118 VAL CA . 17762 1 1063 . 1 1 118 118 VAL CB C 13 31.781 0.000 . 1 . . . A 118 VAL CB . 17762 1 1064 . 1 1 118 118 VAL CG1 C 13 18.609 0.000 . 2 . . . A 118 VAL CG1 . 17762 1 1065 . 1 1 118 118 VAL CG2 C 13 14.511 0.000 . 2 . . . A 118 VAL CG2 . 17762 1 1066 . 1 1 118 118 VAL N N 15 111.972 0.000 . 1 . . . A 118 VAL N . 17762 1 1067 . 1 1 119 119 HIS H H 1 7.616 0.000 . 1 . . . A 119 HIS H . 17762 1 1068 . 1 1 119 119 HIS HA H 1 5.324 0.000 . 1 . . . A 119 HIS HA . 17762 1 1069 . 1 1 119 119 HIS HB2 H 1 3.570 0.000 . 2 . . . . 119 His HB2 . 17762 1 1070 . 1 1 119 119 HIS CA C 13 53.443 0.000 . 1 . . . A 119 HIS CA . 17762 1 1071 . 1 1 119 119 HIS CB C 13 30.025 0.000 . 1 . . . A 119 HIS CB . 17762 1 1072 . 1 1 119 119 HIS N N 15 121.264 0.000 . 1 . . . A 119 HIS N . 17762 1 1073 . 1 1 120 120 PHE HA H 1 4.283 0.000 . 1 . . . A 120 PHE HA . 17762 1 1074 . 1 1 120 120 PHE HB2 H 1 2.600 0.000 . 2 . . . . 120 Phe HB2 . 17762 1 1075 . 1 1 120 120 PHE HD1 H 1 6.609 0.000 . 3 . . . A 120 PHE HD1 . 17762 1 1076 . 1 1 120 120 PHE HD2 H 1 6.609 0.000 . 3 . . . A 120 PHE HD2 . 17762 1 1077 . 1 1 120 120 PHE HE1 H 1 6.958 0.000 . 3 . . . A 120 PHE HE1 . 17762 1 1078 . 1 1 120 120 PHE HE2 H 1 6.958 0.000 . 3 . . . A 120 PHE HE2 . 17762 1 1079 . 1 1 120 120 PHE HZ H 1 6.583 0.000 . 1 . . . A 120 PHE HZ . 17762 1 1080 . 1 1 120 120 PHE CA C 13 55.785 0.000 . 1 . . . A 120 PHE CA . 17762 1 1081 . 1 1 120 120 PHE CB C 13 36.172 0.000 . 1 . . . A 120 PHE CB . 17762 1 1082 . 1 1 121 121 ASP H H 1 8.644 0.000 . 1 . . . A 121 ASP H . 17762 1 1083 . 1 1 121 121 ASP HA H 1 4.668 0.000 . 1 . . . A 121 ASP HA . 17762 1 1084 . 1 1 121 121 ASP HB2 H 1 2.285 0.000 . 2 . . . . 121 Asp HB2 . 17762 1 1085 . 1 1 121 121 ASP CA C 13 54.614 0.000 . 1 . . . A 121 ASP CA . 17762 1 1086 . 1 1 121 121 ASP CB C 13 44.076 0.000 . 1 . . . A 121 ASP CB . 17762 1 1087 . 1 1 121 121 ASP N N 15 131.399 0.000 . 1 . . . A 121 ASP N . 17762 1 1088 . 1 1 122 122 ALA H H 1 7.419 0.000 . 1 . . . A 122 ALA H . 17762 1 1089 . 1 1 122 122 ALA HA H 1 4.491 0.000 . 1 . . . A 122 ALA HA . 17762 1 1090 . 1 1 122 122 ALA HB1 H 1 1.350 0.000 . 1 . . . A 122 ALA HB1 . 17762 1 1091 . 1 1 122 122 ALA HB2 H 1 1.350 0.000 . 1 . . . A 122 ALA HB2 . 17762 1 1092 . 1 1 122 122 ALA HB3 H 1 1.350 0.000 . 1 . . . A 122 ALA HB3 . 17762 1 1093 . 1 1 122 122 ALA CA C 13 49.345 0.000 . 1 . . . A 122 ALA CA . 17762 1 1094 . 1 1 122 122 ALA CB C 13 19.194 0.000 . 1 . . . A 122 ALA CB . 17762 1 1095 . 1 1 122 122 ALA N N 15 116.961 0.000 . 1 . . . A 122 ALA N . 17762 1 1096 . 1 1 123 123 SER H H 1 8.092 0.000 . 1 . . . A 123 SER H . 17762 1 1097 . 1 1 123 123 SER HA H 1 5.325 0.000 . 1 . . . A 123 SER HA . 17762 1 1098 . 1 1 123 123 SER HB2 H 1 3.782 0.000 . 2 . . . A 123 SER HB2 . 17762 1 1099 . 1 1 123 123 SER HG H 1 3.857 0.000 . 1 . . . A 123 SER HG . 17762 1 1100 . 1 1 123 123 SER CA C 13 54.321 0.000 . 1 . . . A 123 SER CA . 17762 1 1101 . 1 1 123 123 SER CB C 13 63.981 0.000 . 1 . . . A 123 SER CB . 17762 1 1102 . 1 1 123 123 SER N N 15 112.579 0.000 . 1 . . . A 123 SER N . 17762 1 1103 . 1 1 124 124 VAL H H 1 8.680 0.000 . 1 . . . A 124 VAL H . 17762 1 1104 . 1 1 124 124 VAL HA H 1 4.313 0.000 . 1 . . . A 124 VAL HA . 17762 1 1105 . 1 1 124 124 VAL HB H 1 1.996 0.000 . 1 . . . A 124 VAL HB . 17762 1 1106 . 1 1 124 124 VAL HG11 H 1 0.787 0.000 . 2 . . . A 124 VAL HG11 . 17762 1 1107 . 1 1 124 124 VAL HG12 H 1 0.787 0.000 . 2 . . . A 124 VAL HG12 . 17762 1 1108 . 1 1 124 124 VAL HG13 H 1 0.787 0.000 . 2 . . . A 124 VAL HG13 . 17762 1 1109 . 1 1 124 124 VAL HG21 H 1 0.762 0.000 . 2 . . . A 124 VAL HG21 . 17762 1 1110 . 1 1 124 124 VAL HG22 H 1 0.762 0.000 . 2 . . . A 124 VAL HG22 . 17762 1 1111 . 1 1 124 124 VAL HG23 H 1 0.762 0.000 . 2 . . . A 124 VAL HG23 . 17762 1 1112 . 1 1 124 124 VAL CA C 13 60.761 0.000 . 1 . . . A 124 VAL CA . 17762 1 1113 . 1 1 124 124 VAL CB C 13 32.660 0.000 . 1 . . . A 124 VAL CB . 17762 1 1114 . 1 1 124 124 VAL CG1 C 13 18.023 0.000 . 1 . . . A 124 VAL CG1 . 17762 1 1115 . 1 1 124 124 VAL CG2 C 13 18.023 0.000 . 1 . . . A 124 VAL CG2 . 17762 1 1116 . 1 1 124 124 VAL N N 15 124.469 0.000 . 1 . . . A 124 VAL N . 17762 1 stop_ save_