data_5899 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5899 _Entry.Title ; NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-07 _Entry.Accession_date 2003-08-07 _Entry.Last_release_date 2003-10-06 _Entry.Original_release_date 2003-10-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Gardino . K. . 5899 2 B. Volkman . F. . 5899 3 H. Cho . S. . 5899 4 S. Lee . Y. . 5899 5 D. Wemmer . E. . 5899 6 D. Kern . . . 5899 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5899 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 826 5899 '13C chemical shifts' 413 5899 '15N chemical shifts' 131 5899 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-10-06 2003-08-07 original author . 5899 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5899 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22758621 _Citation.DOI . _Citation.PubMed_ID 12875849 _Citation.Full_citation . _Citation.Title ; The NMR Solution Structure of BeF(3)(-)-activated Spo0F Reveals the Conformational Switch in a Phosphorelay System ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 331 _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 245 _Citation.Page_last 254 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Gardino . K. . 5899 1 2 B. Volkman . F. . 5899 1 3 H. Cho . S. . 5899 1 4 S. Lee . Y. . 5899 1 5 D. Wemmer . E. . 5899 1 6 D. Kern . . . 5899 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID sporulation 5899 1 '(beta/alpha)5 barrel' 5899 1 'response regulator' 5899 1 phosphorelay 5899 1 beryllofluoride 5899 1 'two-component systems' 5899 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphotransferase_F _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphotransferase_F _Assembly.Entry_ID 5899 _Assembly.ID 1 _Assembly.Name 'Sporulation initiation phosphotransferase F' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monmer 5899 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Neurotoxin BmK37' 1 $phosphotransferase_F . . . native . . . . . 5899 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1PUX . . . . . . 5899 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Sporulation initiation phosphotransferase F' system 5899 1 'Sporulation initiation phosphotransferase F' abbreviation 5899 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphotransferase_F _Entity.Sf_category entity _Entity.Sf_framecode phosphotransferase_F _Entity.Entry_ID 5899 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sporulation initiation phosphotransferase F' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MMNEKILIVDDQYGIRILLN EVFNKEGYQTFQAANGLQAL DIVTKERPDLVLLDMKIPGM DGIEILKRMKVIDENIRVII MTAYGELDMIQESKELGALT HFAKPFDIDEIRDAVKKYLP LKSN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15008 . Spo0FH101A . . . . . 100.00 132 99.19 99.19 1.19e-80 . . . . 5899 1 2 no BMRB 15009 . Spo0FI90A . . . . . 100.00 144 99.19 99.19 3.22e-82 . . . . 5899 1 3 no BMRB 15010 . Spo0FL66A . . . . . 100.00 132 99.19 99.19 1.64e-81 . . . . 5899 1 4 no BMRB 15011 . Spo0FY13A . . . . . 100.00 132 99.19 99.19 5.68e-81 . . . . 5899 1 5 no PDB 1F51 . "A Transient Interaction Between Two Phosphorelay Proteins Trapped In A Crystal Lattice Reveals The Mechanism Of Molecular Recog" . . . . . 95.97 119 99.16 99.16 8.67e-77 . . . . 5899 1 6 no PDB 1FSP . "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, 20 Structures" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 7 no PDB 1NAT . "Crystal Structure Of Spoof From Bacillus Subtilis" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 8 no PDB 1PEY . "Crystal Structure Of The Response Regulator Spo0f Complexed With Mn2+" . . . . . 100.00 124 99.19 99.19 8.82e-81 . . . . 5899 1 9 no PDB 1PUX . "Nmr Solution Structure Of Bef3-Activated Spo0f, 20 Conformers" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 10 no PDB 1SRR . "Crystal Structure Of A Phosphatase Resistant Mutant Of Sporulation Response Regulator Spo0f From Bacillus Subtilis" . . . . . 100.00 124 99.19 99.19 8.82e-81 . . . . 5899 1 11 no PDB 2FSP . "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, Minimized Average Structure" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 12 no PDB 2FTK . "Berylloflouride Spo0f Complex With Spo0b" . . . . . 100.00 124 98.39 98.39 8.64e-80 . . . . 5899 1 13 no PDB 2JVI . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant H101a From Bacillus Subtilis" . . . . . 100.00 132 99.19 99.19 1.19e-80 . . . . 5899 1 14 no PDB 2JVJ . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant I90a From Bacillus Subtilis" . . . . . 100.00 132 99.19 99.19 1.67e-81 . . . . 5899 1 15 no PDB 2JVK . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant L66a From Bacillus Subtilis" . . . . . 100.00 132 99.19 99.19 1.64e-81 . . . . 5899 1 16 no PDB 3Q15 . "Crystal Structure Of Raph Complexed With Spo0f" . . . . . 100.00 126 100.00 100.00 7.16e-82 . . . . 5899 1 17 no DBJ BAI87374 . "two-component response regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 18 no DBJ BAM55796 . "two-component response regulator [Bacillus subtilis BEST7613]" . . . . . 99.19 123 100.00 100.00 3.41e-81 . . . . 5899 1 19 no DBJ BAM59808 . "two-component response regulator [Bacillus subtilis BEST7003]" . . . . . 99.19 123 100.00 100.00 3.41e-81 . . . . 5899 1 20 no DBJ GAK81027 . "two-component response regulator [Bacillus subtilis Miyagi-4]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 21 no EMBL CAA27217 . "unnamed protein product [Bacillus subtilis]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 22 no EMBL CAA89872 . "spo0F [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 23 no EMBL CAB15730 . "two-component response regulator [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 24 no EMBL CCU60811 . "Sporulation initiation phosphotransferase (Spo0F) [Bacillus subtilis E1]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 25 no EMBL CEI59521 . "sporulation initiation phosphotransferase F [Bacillus subtilis]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 26 no GB AAA16802 . "spo0F [Bacillus subtilis]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 27 no GB AAA22787 . "Spo0F protein [Bacillus subtilis]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 28 no GB ADM39703 . "two-component response regulator [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 99.19 123 100.00 100.00 3.41e-81 . . . . 5899 1 29 no GB ADP34224 . "two-component response regulator [Bacillus atrophaeus 1942]" . . . . . 99.19 123 98.37 100.00 6.44e-80 . . . . 5899 1 30 no GB ADV94523 . "two-component response regulator [Bacillus subtilis BSn5]" . . . . . 99.19 123 100.00 100.00 3.41e-81 . . . . 5899 1 31 no PRF 1306301A . "spo0F gene" . . . . . 100.00 123 99.19 99.19 1.49e-79 . . . . 5899 1 32 no REF NP_391594 . "sporulation initiation phosphotransferase F [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 33 no REF WP_003221952 . "MULTISPECIES: chemotaxis protein CheY [Bacillales]" . . . . . 99.19 123 100.00 100.00 3.41e-81 . . . . 5899 1 34 no REF WP_003227621 . "MULTISPECIES: chemotaxis protein CheY [Bacillus]" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 35 no REF WP_003326524 . "MULTISPECIES: chemotaxis protein CheY [Bacillus subtilis group]" . . . . . 99.19 123 97.56 99.19 1.21e-78 . . . . 5899 1 36 no REF WP_010328945 . "MULTISPECIES: chemotaxis protein CheY [Bacillus]" . . . . . 99.19 123 98.37 100.00 9.03e-80 . . . . 5899 1 37 no SP P06628 . "RecName: Full=Sporulation initiation phosphotransferase F; AltName: Full=Stage 0 sporulation protein F [Bacillus subtilis subsp" . . . . . 100.00 124 100.00 100.00 6.28e-82 . . . . 5899 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sporulation initiation phosphotransferase F' common 5899 1 'Sporulation initiation phosphotransferase F' abbreviation 5899 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5899 1 2 . MET . 5899 1 3 . ASN . 5899 1 4 . GLU . 5899 1 5 . LYS . 5899 1 6 . ILE . 5899 1 7 . LEU . 5899 1 8 . ILE . 5899 1 9 . VAL . 5899 1 10 . ASP . 5899 1 11 . ASP . 5899 1 12 . GLN . 5899 1 13 . TYR . 5899 1 14 . GLY . 5899 1 15 . ILE . 5899 1 16 . ARG . 5899 1 17 . ILE . 5899 1 18 . LEU . 5899 1 19 . LEU . 5899 1 20 . ASN . 5899 1 21 . GLU . 5899 1 22 . VAL . 5899 1 23 . PHE . 5899 1 24 . ASN . 5899 1 25 . LYS . 5899 1 26 . GLU . 5899 1 27 . GLY . 5899 1 28 . TYR . 5899 1 29 . GLN . 5899 1 30 . THR . 5899 1 31 . PHE . 5899 1 32 . GLN . 5899 1 33 . ALA . 5899 1 34 . ALA . 5899 1 35 . ASN . 5899 1 36 . GLY . 5899 1 37 . LEU . 5899 1 38 . GLN . 5899 1 39 . ALA . 5899 1 40 . LEU . 5899 1 41 . ASP . 5899 1 42 . ILE . 5899 1 43 . VAL . 5899 1 44 . THR . 5899 1 45 . LYS . 5899 1 46 . GLU . 5899 1 47 . ARG . 5899 1 48 . PRO . 5899 1 49 . ASP . 5899 1 50 . LEU . 5899 1 51 . VAL . 5899 1 52 . LEU . 5899 1 53 . LEU . 5899 1 54 . ASP . 5899 1 55 . MET . 5899 1 56 . LYS . 5899 1 57 . ILE . 5899 1 58 . PRO . 5899 1 59 . GLY . 5899 1 60 . MET . 5899 1 61 . ASP . 5899 1 62 . GLY . 5899 1 63 . ILE . 5899 1 64 . GLU . 5899 1 65 . ILE . 5899 1 66 . LEU . 5899 1 67 . LYS . 5899 1 68 . ARG . 5899 1 69 . MET . 5899 1 70 . LYS . 5899 1 71 . VAL . 5899 1 72 . ILE . 5899 1 73 . ASP . 5899 1 74 . GLU . 5899 1 75 . ASN . 5899 1 76 . ILE . 5899 1 77 . ARG . 5899 1 78 . VAL . 5899 1 79 . ILE . 5899 1 80 . ILE . 5899 1 81 . MET . 5899 1 82 . THR . 5899 1 83 . ALA . 5899 1 84 . TYR . 5899 1 85 . GLY . 5899 1 86 . GLU . 5899 1 87 . LEU . 5899 1 88 . ASP . 5899 1 89 . MET . 5899 1 90 . ILE . 5899 1 91 . GLN . 5899 1 92 . GLU . 5899 1 93 . SER . 5899 1 94 . LYS . 5899 1 95 . GLU . 5899 1 96 . LEU . 5899 1 97 . GLY . 5899 1 98 . ALA . 5899 1 99 . LEU . 5899 1 100 . THR . 5899 1 101 . HIS . 5899 1 102 . PHE . 5899 1 103 . ALA . 5899 1 104 . LYS . 5899 1 105 . PRO . 5899 1 106 . PHE . 5899 1 107 . ASP . 5899 1 108 . ILE . 5899 1 109 . ASP . 5899 1 110 . GLU . 5899 1 111 . ILE . 5899 1 112 . ARG . 5899 1 113 . ASP . 5899 1 114 . ALA . 5899 1 115 . VAL . 5899 1 116 . LYS . 5899 1 117 . LYS . 5899 1 118 . TYR . 5899 1 119 . LEU . 5899 1 120 . PRO . 5899 1 121 . LEU . 5899 1 122 . LYS . 5899 1 123 . SER . 5899 1 124 . ASN . 5899 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5899 1 . MET 2 2 5899 1 . ASN 3 3 5899 1 . GLU 4 4 5899 1 . LYS 5 5 5899 1 . ILE 6 6 5899 1 . LEU 7 7 5899 1 . ILE 8 8 5899 1 . VAL 9 9 5899 1 . ASP 10 10 5899 1 . ASP 11 11 5899 1 . GLN 12 12 5899 1 . TYR 13 13 5899 1 . GLY 14 14 5899 1 . ILE 15 15 5899 1 . ARG 16 16 5899 1 . ILE 17 17 5899 1 . LEU 18 18 5899 1 . LEU 19 19 5899 1 . ASN 20 20 5899 1 . GLU 21 21 5899 1 . VAL 22 22 5899 1 . PHE 23 23 5899 1 . ASN 24 24 5899 1 . LYS 25 25 5899 1 . GLU 26 26 5899 1 . GLY 27 27 5899 1 . TYR 28 28 5899 1 . GLN 29 29 5899 1 . THR 30 30 5899 1 . PHE 31 31 5899 1 . GLN 32 32 5899 1 . ALA 33 33 5899 1 . ALA 34 34 5899 1 . ASN 35 35 5899 1 . GLY 36 36 5899 1 . LEU 37 37 5899 1 . GLN 38 38 5899 1 . ALA 39 39 5899 1 . LEU 40 40 5899 1 . ASP 41 41 5899 1 . ILE 42 42 5899 1 . VAL 43 43 5899 1 . THR 44 44 5899 1 . LYS 45 45 5899 1 . GLU 46 46 5899 1 . ARG 47 47 5899 1 . PRO 48 48 5899 1 . ASP 49 49 5899 1 . LEU 50 50 5899 1 . VAL 51 51 5899 1 . LEU 52 52 5899 1 . LEU 53 53 5899 1 . ASP 54 54 5899 1 . MET 55 55 5899 1 . LYS 56 56 5899 1 . ILE 57 57 5899 1 . PRO 58 58 5899 1 . GLY 59 59 5899 1 . MET 60 60 5899 1 . ASP 61 61 5899 1 . GLY 62 62 5899 1 . ILE 63 63 5899 1 . GLU 64 64 5899 1 . ILE 65 65 5899 1 . LEU 66 66 5899 1 . LYS 67 67 5899 1 . ARG 68 68 5899 1 . MET 69 69 5899 1 . LYS 70 70 5899 1 . VAL 71 71 5899 1 . ILE 72 72 5899 1 . ASP 73 73 5899 1 . GLU 74 74 5899 1 . ASN 75 75 5899 1 . ILE 76 76 5899 1 . ARG 77 77 5899 1 . VAL 78 78 5899 1 . ILE 79 79 5899 1 . ILE 80 80 5899 1 . MET 81 81 5899 1 . THR 82 82 5899 1 . ALA 83 83 5899 1 . TYR 84 84 5899 1 . GLY 85 85 5899 1 . GLU 86 86 5899 1 . LEU 87 87 5899 1 . ASP 88 88 5899 1 . MET 89 89 5899 1 . ILE 90 90 5899 1 . GLN 91 91 5899 1 . GLU 92 92 5899 1 . SER 93 93 5899 1 . LYS 94 94 5899 1 . GLU 95 95 5899 1 . LEU 96 96 5899 1 . GLY 97 97 5899 1 . ALA 98 98 5899 1 . LEU 99 99 5899 1 . THR 100 100 5899 1 . HIS 101 101 5899 1 . PHE 102 102 5899 1 . ALA 103 103 5899 1 . LYS 104 104 5899 1 . PRO 105 105 5899 1 . PHE 106 106 5899 1 . ASP 107 107 5899 1 . ILE 108 108 5899 1 . ASP 109 109 5899 1 . GLU 110 110 5899 1 . ILE 111 111 5899 1 . ARG 112 112 5899 1 . ASP 113 113 5899 1 . ALA 114 114 5899 1 . VAL 115 115 5899 1 . LYS 116 116 5899 1 . LYS 117 117 5899 1 . TYR 118 118 5899 1 . LEU 119 119 5899 1 . PRO 120 120 5899 1 . LEU 121 121 5899 1 . LYS 122 122 5899 1 . SER 123 123 5899 1 . ASN 124 124 5899 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 5899 _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 $phosphotransferase_F . 1423 . . 'Bacillus subtilis' 'Bacillus globigii' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 5899 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 5899 _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 $phosphotransferase_F . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET21A . . . . . . 5899 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5899 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sporulation initiation phosphotransferase F' '[U-15N; U-13C]' . . 1 $phosphotransferase_F . . 1 . . mM . . . . 5899 1 2 HEPES . . . . . . . 20 . . mM . . . . 5899 1 3 MgCl2 . . . . . . . 50 . . mM . . . . 5899 1 4 BeCl2 . . . . . . . 6 . . mM . . . . 5899 1 5 NaF . . . . . . . 60 . . mM . . . . 5899 1 6 D2O . . . . . . . 10 . . % . . . . 5899 1 7 H2O . . . . . . . 90 . . % . . . . 5899 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5899 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.85 . na 5899 1 temperature 298 . K 5899 1 'ionic strength' 116 . mM 5899 1 pressure 1 . atm 5899 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5899 _Software.ID 1 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Guntert, P' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5899 1 refinement 5899 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5899 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.12 _Software.Details 'Bartels, C' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5899 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5899 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5899 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5899 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5899 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 5899 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5899 1 3 NMR_spectrometer_3 Bruker DMX . 750 . . . 5899 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 5899 _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 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5899 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5899 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5899 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5899 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5899 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5899 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5899 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5899 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5899 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 . 5899 1 2 '3D 15N-separated NOESY' 1 $sample_1 . 5899 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET N N 15 114.864 0.000 . . . . . . . . . . 5899 1 2 . 1 1 2 2 MET H H 1 8.352 0.000 . . . . . . . . . . 5899 1 3 . 1 1 2 2 MET CA C 13 55.674 0.000 . . . . . . . . . . 5899 1 4 . 1 1 2 2 MET HA H 1 4.525 0.000 . . . . . . . . . . 5899 1 5 . 1 1 3 3 ASN N N 15 117.777 0.000 . . . . . . . . . . 5899 1 6 . 1 1 3 3 ASN H H 1 8.548 0.000 . . . . . . . . . . 5899 1 7 . 1 1 3 3 ASN CA C 13 53.790 0.000 . . . . . . . . . . 5899 1 8 . 1 1 3 3 ASN HA H 1 4.618 0.000 . . . . . . . . . . 5899 1 9 . 1 1 3 3 ASN CB C 13 38.474 0.000 . . . . . . . . . . 5899 1 10 . 1 1 3 3 ASN HB2 H 1 2.875 0.000 . . . . . . . . . . 5899 1 11 . 1 1 3 3 ASN ND2 N 15 112.576 0.000 . . . . . . . . . . 5899 1 12 . 1 1 3 3 ASN HD21 H 1 7.699 0.000 . . . . . . . . . . 5899 1 13 . 1 1 3 3 ASN HD22 H 1 6.981 0.000 . . . . . . . . . . 5899 1 14 . 1 1 4 4 GLU N N 15 119.179 0.000 . . . . . . . . . . 5899 1 15 . 1 1 4 4 GLU H H 1 8.477 0.000 . . . . . . . . . . 5899 1 16 . 1 1 4 4 GLU CA C 13 58.127 0.000 . . . . . . . . . . 5899 1 17 . 1 1 4 4 GLU HA H 1 4.458 0.000 . . . . . . . . . . 5899 1 18 . 1 1 4 4 GLU CB C 13 30.649 0.000 . . . . . . . . . . 5899 1 19 . 1 1 4 4 GLU HB2 H 1 1.910 0.000 . . . . . . . . . . 5899 1 20 . 1 1 4 4 GLU HB3 H 1 2.210 0.012 . . . . . . . . . . 5899 1 21 . 1 1 4 4 GLU CG C 13 37.329 0.000 . . . . . . . . . . 5899 1 22 . 1 1 4 4 GLU HG2 H 1 2.410 0.000 . . . . . . . . . . 5899 1 23 . 1 1 4 4 GLU HG3 H 1 2.320 0.000 . . . . . . . . . . 5899 1 24 . 1 1 5 5 LYS N N 15 120.288 0.000 . . . . . . . . . . 5899 1 25 . 1 1 5 5 LYS H H 1 9.356 0.000 . . . . . . . . . . 5899 1 26 . 1 1 5 5 LYS CA C 13 55.300 0.000 . . . . . . . . . . 5899 1 27 . 1 1 5 5 LYS HA H 1 5.512 0.000 . . . . . . . . . . 5899 1 28 . 1 1 5 5 LYS CB C 13 37.591 0.000 . . . . . . . . . . 5899 1 29 . 1 1 5 5 LYS HB2 H 1 1.628 0.000 . . . . . . . . . . 5899 1 30 . 1 1 5 5 LYS HB3 H 1 1.972 0.000 . . . . . . . . . . 5899 1 31 . 1 1 5 5 LYS CG C 13 25.431 0.000 . . . . . . . . . . 5899 1 32 . 1 1 5 5 LYS HG2 H 1 1.793 0.000 . . . . . . . . . . 5899 1 33 . 1 1 5 5 LYS HG3 H 1 1.499 0.000 . . . . . . . . . . 5899 1 34 . 1 1 5 5 LYS CD C 13 30.509 0.000 . . . . . . . . . . 5899 1 35 . 1 1 5 5 LYS HD2 H 1 1.661 0.000 . . . . . . . . . . 5899 1 36 . 1 1 5 5 LYS CE C 13 42.241 0.000 . . . . . . . . . . 5899 1 37 . 1 1 5 5 LYS HE2 H 1 3.222 0.000 . . . . . . . . . . 5899 1 38 . 1 1 6 6 ILE N N 15 121.631 0.000 . . . . . . . . . . 5899 1 39 . 1 1 6 6 ILE H H 1 8.861 0.002 . . . . . . . . . . 5899 1 40 . 1 1 6 6 ILE CA C 13 59.127 0.000 . . . . . . . . . . 5899 1 41 . 1 1 6 6 ILE HA H 1 4.936 0.000 . . . . . . . . . . 5899 1 42 . 1 1 6 6 ILE CB C 13 41.999 0.000 . . . . . . . . . . 5899 1 43 . 1 1 6 6 ILE HB H 1 1.275 0.000 . . . . . . . . . . 5899 1 44 . 1 1 6 6 ILE HG21 H 1 0.343 0.000 . . . . . . . . . . 5899 1 45 . 1 1 6 6 ILE HG22 H 1 0.343 0.000 . . . . . . . . . . 5899 1 46 . 1 1 6 6 ILE HG23 H 1 0.343 0.000 . . . . . . . . . . 5899 1 47 . 1 1 6 6 ILE CG2 C 13 16.727 0.000 . . . . . . . . . . 5899 1 48 . 1 1 6 6 ILE CG1 C 13 27.383 0.000 . . . . . . . . . . 5899 1 49 . 1 1 6 6 ILE HG12 H 1 1.003 0.000 . . . . . . . . . . 5899 1 50 . 1 1 6 6 ILE HG13 H 1 0.440 0.000 . . . . . . . . . . 5899 1 51 . 1 1 6 6 ILE HD11 H 1 -0.502 0.010 . . . . . . . . . . 5899 1 52 . 1 1 6 6 ILE HD12 H 1 -0.502 0.010 . . . . . . . . . . 5899 1 53 . 1 1 6 6 ILE HD13 H 1 -0.502 0.010 . . . . . . . . . . 5899 1 54 . 1 1 6 6 ILE CD1 C 13 13.264 0.000 . . . . . . . . . . 5899 1 55 . 1 1 7 7 LEU N N 15 127.382 0.000 . . . . . . . . . . 5899 1 56 . 1 1 7 7 LEU H H 1 8.642 0.000 . . . . . . . . . . 5899 1 57 . 1 1 7 7 LEU CA C 13 52.708 0.000 . . . . . . . . . . 5899 1 58 . 1 1 7 7 LEU HA H 1 5.200 0.000 . . . . . . . . . . 5899 1 59 . 1 1 7 7 LEU CB C 13 44.996 0.000 . . . . . . . . . . 5899 1 60 . 1 1 7 7 LEU HB2 H 1 1.771 0.000 . . . . . . . . . . 5899 1 61 . 1 1 7 7 LEU HB3 H 1 1.075 0.000 . . . . . . . . . . 5899 1 62 . 1 1 7 7 LEU CG C 13 23.382 0.000 . . . . . . . . . . 5899 1 63 . 1 1 7 7 LEU HG H 1 0.811 0.000 . . . . . . . . . . 5899 1 64 . 1 1 7 7 LEU HD11 H 1 0.733 0.000 . . . . . . . . . . 5899 1 65 . 1 1 7 7 LEU HD12 H 1 0.733 0.000 . . . . . . . . . . 5899 1 66 . 1 1 7 7 LEU HD13 H 1 0.733 0.000 . . . . . . . . . . 5899 1 67 . 1 1 7 7 LEU CD1 C 13 27.475 0.000 . . . . . . . . . . 5899 1 68 . 1 1 8 8 ILE N N 15 128.579 0.000 . . . . . . . . . . 5899 1 69 . 1 1 8 8 ILE H H 1 9.049 0.000 . . . . . . . . . . 5899 1 70 . 1 1 8 8 ILE CA C 13 61.118 0.000 . . . . . . . . . . 5899 1 71 . 1 1 8 8 ILE HA H 1 4.475 0.000 . . . . . . . . . . 5899 1 72 . 1 1 8 8 ILE CB C 13 40.881 0.000 . . . . . . . . . . 5899 1 73 . 1 1 8 8 ILE HB H 1 1.894 0.000 . . . . . . . . . . 5899 1 74 . 1 1 8 8 ILE HG21 H 1 0.969 0.000 . . . . . . . . . . 5899 1 75 . 1 1 8 8 ILE HG22 H 1 0.969 0.000 . . . . . . . . . . 5899 1 76 . 1 1 8 8 ILE HG23 H 1 0.969 0.000 . . . . . . . . . . 5899 1 77 . 1 1 8 8 ILE CG2 C 13 20.108 0.000 . . . . . . . . . . 5899 1 78 . 1 1 8 8 ILE CG1 C 13 28.237 0.000 . . . . . . . . . . 5899 1 79 . 1 1 8 8 ILE HG12 H 1 1.661 0.000 . . . . . . . . . . 5899 1 80 . 1 1 8 8 ILE HG13 H 1 1.039 0.000 . . . . . . . . . . 5899 1 81 . 1 1 8 8 ILE HD11 H 1 0.968 0.000 . . . . . . . . . . 5899 1 82 . 1 1 8 8 ILE HD12 H 1 0.968 0.000 . . . . . . . . . . 5899 1 83 . 1 1 8 8 ILE HD13 H 1 0.968 0.000 . . . . . . . . . . 5899 1 84 . 1 1 8 8 ILE CD1 C 13 15.169 0.000 . . . . . . . . . . 5899 1 85 . 1 1 9 9 VAL N N 15 127.499 0.000 . . . . . . . . . . 5899 1 86 . 1 1 9 9 VAL H H 1 9.143 0.000 . . . . . . . . . . 5899 1 87 . 1 1 9 9 VAL CA C 13 59.910 0.000 . . . . . . . . . . 5899 1 88 . 1 1 9 9 VAL HA H 1 5.075 0.000 . . . . . . . . . . 5899 1 89 . 1 1 9 9 VAL CB C 13 32.647 0.000 . . . . . . . . . . 5899 1 90 . 1 1 9 9 VAL HB H 1 2.378 0.000 . . . . . . . . . . 5899 1 91 . 1 1 9 9 VAL HG11 H 1 0.570 0.000 . . . . . . . . . . 5899 1 92 . 1 1 9 9 VAL HG12 H 1 0.570 0.000 . . . . . . . . . . 5899 1 93 . 1 1 9 9 VAL HG13 H 1 0.570 0.000 . . . . . . . . . . 5899 1 94 . 1 1 9 9 VAL HG21 H 1 0.733 0.000 . . . . . . . . . . 5899 1 95 . 1 1 9 9 VAL HG22 H 1 0.733 0.000 . . . . . . . . . . 5899 1 96 . 1 1 9 9 VAL HG23 H 1 0.733 0.000 . . . . . . . . . . 5899 1 97 . 1 1 9 9 VAL CG1 C 13 20.523 0.000 . . . . . . . . . . 5899 1 98 . 1 1 9 9 VAL CG2 C 13 21.328 0.000 . . . . . . . . . . 5899 1 99 . 1 1 10 10 ASP N N 15 123.120 0.000 . . . . . . . . . . 5899 1 100 . 1 1 10 10 ASP H H 1 8.023 0.000 . . . . . . . . . . 5899 1 101 . 1 1 10 10 ASP CA C 13 55.701 0.000 . . . . . . . . . . 5899 1 102 . 1 1 10 10 ASP HA H 1 4.527 0.000 . . . . . . . . . . 5899 1 103 . 1 1 11 11 ASP N N 15 123.178 0.000 . . . . . . . . . . 5899 1 104 . 1 1 11 11 ASP H H 1 10.293 0.000 . . . . . . . . . . 5899 1 105 . 1 1 11 11 ASP CA C 13 55.407 0.000 . . . . . . . . . . 5899 1 106 . 1 1 11 11 ASP HA H 1 4.502 0.000 . . . . . . . . . . 5899 1 107 . 1 1 11 11 ASP CB C 13 44.949 0.000 . . . . . . . . . . 5899 1 108 . 1 1 11 11 ASP HB2 H 1 2.441 0.000 . . . . . . . . . . 5899 1 109 . 1 1 11 11 ASP HB3 H 1 2.398 0.000 . . . . . . . . . . 5899 1 110 . 1 1 12 12 GLN N N 15 123.821 0.000 . . . . . . . . . . 5899 1 111 . 1 1 12 12 GLN H H 1 9.291 0.000 . . . . . . . . . . 5899 1 112 . 1 1 12 12 GLN CA C 13 55.153 0.000 . . . . . . . . . . 5899 1 113 . 1 1 12 12 GLN HA H 1 4.528 0.000 . . . . . . . . . . 5899 1 114 . 1 1 12 12 GLN CB C 13 28.720 0.000 . . . . . . . . . . 5899 1 115 . 1 1 12 12 GLN HB2 H 1 2.087 0.000 . . . . . . . . . . 5899 1 116 . 1 1 12 12 GLN CG C 13 34.590 0.000 . . . . . . . . . . 5899 1 117 . 1 1 12 12 GLN HG2 H 1 2.457 0.000 . . . . . . . . . . 5899 1 118 . 1 1 12 12 GLN NE2 N 15 114.112 0.000 . . . . . . . . . . 5899 1 119 . 1 1 12 12 GLN HE21 H 1 7.527 0.000 . . . . . . . . . . 5899 1 120 . 1 1 12 12 GLN HE22 H 1 7.057 0.000 . . . . . . . . . . 5899 1 121 . 1 1 13 13 TYR N N 15 129.689 0.000 . . . . . . . . . . 5899 1 122 . 1 1 13 13 TYR H H 1 9.061 0.000 . . . . . . . . . . 5899 1 123 . 1 1 13 13 TYR CA C 13 61.616 0.000 . . . . . . . . . . 5899 1 124 . 1 1 13 13 TYR HA H 1 3.911 0.000 . . . . . . . . . . 5899 1 125 . 1 1 13 13 TYR CB C 13 38.705 0.003 . . . . . . . . . . 5899 1 126 . 1 1 13 13 TYR HB2 H 1 3.328 0.008 . . . . . . . . . . 5899 1 127 . 1 1 13 13 TYR HB3 H 1 2.951 0.000 . . . . . . . . . . 5899 1 128 . 1 1 13 13 TYR HD1 H 1 7.106 0.000 . . . . . . . . . . 5899 1 129 . 1 1 13 13 TYR HE1 H 1 6.834 0.001 . . . . . . . . . . 5899 1 130 . 1 1 13 13 TYR CD1 C 13 135.562 0.000 . . . . . . . . . . 5899 1 131 . 1 1 13 13 TYR CE2 C 13 120.798 0.007 . . . . . . . . . . 5899 1 132 . 1 1 14 14 GLY N N 15 103.443 0.000 . . . . . . . . . . 5899 1 133 . 1 1 14 14 GLY H H 1 8.949 0.000 . . . . . . . . . . 5899 1 134 . 1 1 14 14 GLY CA C 13 46.885 0.000 . . . . . . . . . . 5899 1 135 . 1 1 14 14 GLY HA2 H 1 3.850 0.000 . . . . . . . . . . 5899 1 136 . 1 1 14 14 GLY HA3 H 1 3.561 0.000 . . . . . . . . . . 5899 1 137 . 1 1 15 15 ILE N N 15 119.383 0.000 . . . . . . . . . . 5899 1 138 . 1 1 15 15 ILE H H 1 6.885 0.000 . . . . . . . . . . 5899 1 139 . 1 1 15 15 ILE CA C 13 61.075 0.000 . . . . . . . . . . 5899 1 140 . 1 1 15 15 ILE HA H 1 3.963 0.000 . . . . . . . . . . 5899 1 141 . 1 1 15 15 ILE CB C 13 36.271 0.000 . . . . . . . . . . 5899 1 142 . 1 1 15 15 ILE HB H 1 2.021 0.000 . . . . . . . . . . 5899 1 143 . 1 1 15 15 ILE HG21 H 1 0.682 0.000 . . . . . . . . . . 5899 1 144 . 1 1 15 15 ILE HG22 H 1 0.682 0.000 . . . . . . . . . . 5899 1 145 . 1 1 15 15 ILE HG23 H 1 0.682 0.000 . . . . . . . . . . 5899 1 146 . 1 1 15 15 ILE CG2 C 13 9.244 0.000 . . . . . . . . . . 5899 1 147 . 1 1 15 15 ILE CG1 C 13 27.118 0.000 . . . . . . . . . . 5899 1 148 . 1 1 15 15 ILE HG12 H 1 1.299 0.000 . . . . . . . . . . 5899 1 149 . 1 1 15 15 ILE HD11 H 1 0.965 0.000 . . . . . . . . . . 5899 1 150 . 1 1 15 15 ILE HD12 H 1 0.965 0.000 . . . . . . . . . . 5899 1 151 . 1 1 15 15 ILE HD13 H 1 0.965 0.000 . . . . . . . . . . 5899 1 152 . 1 1 15 15 ILE CD1 C 13 17.821 0.000 . . . . . . . . . . 5899 1 153 . 1 1 16 16 ARG N N 15 118.332 0.000 . . . . . . . . . . 5899 1 154 . 1 1 16 16 ARG H H 1 7.322 0.000 . . . . . . . . . . 5899 1 155 . 1 1 16 16 ARG CA C 13 61.283 0.000 . . . . . . . . . . 5899 1 156 . 1 1 16 16 ARG HA H 1 3.793 0.000 . . . . . . . . . . 5899 1 157 . 1 1 16 16 ARG CB C 13 30.414 0.000 . . . . . . . . . . 5899 1 158 . 1 1 16 16 ARG HB2 H 1 1.979 0.000 . . . . . . . . . . 5899 1 159 . 1 1 16 16 ARG HB3 H 1 1.724 0.000 . . . . . . . . . . 5899 1 160 . 1 1 16 16 ARG CG C 13 28.850 0.000 . . . . . . . . . . 5899 1 161 . 1 1 16 16 ARG HG2 H 1 1.135 0.000 . . . . . . . . . . 5899 1 162 . 1 1 16 16 ARG CD C 13 43.849 0.020 . . . . . . . . . . 5899 1 163 . 1 1 16 16 ARG HD2 H 1 4.014 0.000 . . . . . . . . . . 5899 1 164 . 1 1 16 16 ARG HD3 H 1 2.973 0.000 . . . . . . . . . . 5899 1 165 . 1 1 17 17 ILE N N 15 115.001 0.000 . . . . . . . . . . 5899 1 166 . 1 1 17 17 ILE H H 1 8.178 0.000 . . . . . . . . . . 5899 1 167 . 1 1 17 17 ILE CA C 13 63.106 0.000 . . . . . . . . . . 5899 1 168 . 1 1 17 17 ILE HA H 1 3.775 0.000 . . . . . . . . . . 5899 1 169 . 1 1 17 17 ILE CB C 13 37.227 0.000 . . . . . . . . . . 5899 1 170 . 1 1 17 17 ILE HB H 1 1.562 0.000 . . . . . . . . . . 5899 1 171 . 1 1 17 17 ILE HG21 H 1 0.724 0.000 . . . . . . . . . . 5899 1 172 . 1 1 17 17 ILE HG22 H 1 0.724 0.000 . . . . . . . . . . 5899 1 173 . 1 1 17 17 ILE HG23 H 1 0.724 0.000 . . . . . . . . . . 5899 1 174 . 1 1 17 17 ILE CG2 C 13 18.071 0.000 . . . . . . . . . . 5899 1 175 . 1 1 17 17 ILE CG1 C 13 27.694 0.000 . . . . . . . . . . 5899 1 176 . 1 1 17 17 ILE HG12 H 1 1.131 0.000 . . . . . . . . . . 5899 1 177 . 1 1 17 17 ILE HG13 H 1 1.064 0.000 . . . . . . . . . . 5899 1 178 . 1 1 17 17 ILE HD11 H 1 0.683 0.000 . . . . . . . . . . 5899 1 179 . 1 1 17 17 ILE HD12 H 1 0.683 0.000 . . . . . . . . . . 5899 1 180 . 1 1 17 17 ILE HD13 H 1 0.683 0.000 . . . . . . . . . . 5899 1 181 . 1 1 17 17 ILE CD1 C 13 12.455 0.000 . . . . . . . . . . 5899 1 182 . 1 1 18 18 LEU N N 15 123.587 0.000 . . . . . . . . . . 5899 1 183 . 1 1 18 18 LEU H H 1 7.204 0.000 . . . . . . . . . . 5899 1 184 . 1 1 18 18 LEU CA C 13 58.047 0.000 . . . . . . . . . . 5899 1 185 . 1 1 18 18 LEU HA H 1 4.201 0.000 . . . . . . . . . . 5899 1 186 . 1 1 18 18 LEU CB C 13 42.688 0.000 . . . . . . . . . . 5899 1 187 . 1 1 18 18 LEU HB2 H 1 1.786 0.000 . . . . . . . . . . 5899 1 188 . 1 1 18 18 LEU HB3 H 1 1.881 0.000 . . . . . . . . . . 5899 1 189 . 1 1 18 18 LEU CG C 13 25.641 0.000 . . . . . . . . . . 5899 1 190 . 1 1 18 18 LEU HG H 1 0.943 0.000 . . . . . . . . . . 5899 1 191 . 1 1 18 18 LEU HD11 H 1 0.928 0.000 . . . . . . . . . . 5899 1 192 . 1 1 18 18 LEU HD12 H 1 0.928 0.000 . . . . . . . . . . 5899 1 193 . 1 1 18 18 LEU HD13 H 1 0.928 0.000 . . . . . . . . . . 5899 1 194 . 1 1 18 18 LEU HD21 H 1 0.892 0.000 . . . . . . . . . . 5899 1 195 . 1 1 18 18 LEU HD22 H 1 0.892 0.000 . . . . . . . . . . 5899 1 196 . 1 1 18 18 LEU HD23 H 1 0.892 0.000 . . . . . . . . . . 5899 1 197 . 1 1 18 18 LEU CD1 C 13 23.715 0.000 . . . . . . . . . . 5899 1 198 . 1 1 18 18 LEU CD2 C 13 27.116 0.000 . . . . . . . . . . 5899 1 199 . 1 1 19 19 LEU N N 15 115.792 0.000 . . . . . . . . . . 5899 1 200 . 1 1 19 19 LEU H H 1 7.970 0.000 . . . . . . . . . . 5899 1 201 . 1 1 19 19 LEU CA C 13 57.244 0.000 . . . . . . . . . . 5899 1 202 . 1 1 19 19 LEU HA H 1 3.811 0.000 . . . . . . . . . . 5899 1 203 . 1 1 19 19 LEU CB C 13 41.966 0.000 . . . . . . . . . . 5899 1 204 . 1 1 19 19 LEU HB2 H 1 1.191 0.000 . . . . . . . . . . 5899 1 205 . 1 1 19 19 LEU HD11 H 1 0.792 0.000 . . . . . . . . . . 5899 1 206 . 1 1 19 19 LEU HD12 H 1 0.792 0.000 . . . . . . . . . . 5899 1 207 . 1 1 19 19 LEU HD13 H 1 0.792 0.000 . . . . . . . . . . 5899 1 208 . 1 1 19 19 LEU HD21 H 1 0.564 0.000 . . . . . . . . . . 5899 1 209 . 1 1 19 19 LEU HD22 H 1 0.564 0.000 . . . . . . . . . . 5899 1 210 . 1 1 19 19 LEU HD23 H 1 0.564 0.000 . . . . . . . . . . 5899 1 211 . 1 1 19 19 LEU CD1 C 13 26.920 0.000 . . . . . . . . . . 5899 1 212 . 1 1 19 19 LEU CD2 C 13 22.094 0.000 . . . . . . . . . . 5899 1 213 . 1 1 20 20 ASN N N 15 118.191 0.000 . . . . . . . . . . 5899 1 214 . 1 1 20 20 ASN H H 1 8.511 0.000 . . . . . . . . . . 5899 1 215 . 1 1 20 20 ASN CA C 13 57.903 0.000 . . . . . . . . . . 5899 1 216 . 1 1 20 20 ASN HA H 1 4.125 0.000 . . . . . . . . . . 5899 1 217 . 1 1 20 20 ASN CB C 13 40.193 0.000 . . . . . . . . . . 5899 1 218 . 1 1 20 20 ASN HB2 H 1 2.825 0.000 . . . . . . . . . . 5899 1 219 . 1 1 20 20 ASN HB3 H 1 2.610 0.000 . . . . . . . . . . 5899 1 220 . 1 1 20 20 ASN ND2 N 15 114.662 0.000 . . . . . . . . . . 5899 1 221 . 1 1 20 20 ASN HD21 H 1 7.582 0.000 . . . . . . . . . . 5899 1 222 . 1 1 20 20 ASN HD22 H 1 6.938 0.000 . . . . . . . . . . 5899 1 223 . 1 1 21 21 GLU N N 15 118.157 0.000 . . . . . . . . . . 5899 1 224 . 1 1 21 21 GLU H H 1 7.870 0.000 . . . . . . . . . . 5899 1 225 . 1 1 21 21 GLU CA C 13 59.498 0.000 . . . . . . . . . . 5899 1 226 . 1 1 21 21 GLU HA H 1 4.019 0.000 . . . . . . . . . . 5899 1 227 . 1 1 21 21 GLU CB C 13 30.213 0.000 . . . . . . . . . . 5899 1 228 . 1 1 21 21 GLU HB2 H 1 2.066 0.000 . . . . . . . . . . 5899 1 229 . 1 1 21 21 GLU CG C 13 36.211 0.000 . . . . . . . . . . 5899 1 230 . 1 1 21 21 GLU HG2 H 1 2.323 0.000 . . . . . . . . . . 5899 1 231 . 1 1 21 21 GLU HG3 H 1 2.240 0.000 . . . . . . . . . . 5899 1 232 . 1 1 22 22 VAL N N 15 118.011 0.000 . . . . . . . . . . 5899 1 233 . 1 1 22 22 VAL H H 1 7.817 0.000 . . . . . . . . . . 5899 1 234 . 1 1 22 22 VAL CA C 13 66.089 0.000 . . . . . . . . . . 5899 1 235 . 1 1 22 22 VAL HA H 1 3.491 0.000 . . . . . . . . . . 5899 1 236 . 1 1 22 22 VAL CB C 13 32.000 0.000 . . . . . . . . . . 5899 1 237 . 1 1 22 22 VAL HB H 1 1.657 0.000 . . . . . . . . . . 5899 1 238 . 1 1 22 22 VAL HG11 H 1 0.226 0.000 . . . . . . . . . . 5899 1 239 . 1 1 22 22 VAL HG12 H 1 0.226 0.000 . . . . . . . . . . 5899 1 240 . 1 1 22 22 VAL HG13 H 1 0.226 0.000 . . . . . . . . . . 5899 1 241 . 1 1 22 22 VAL HG21 H 1 0.907 0.000 . . . . . . . . . . 5899 1 242 . 1 1 22 22 VAL HG22 H 1 0.907 0.000 . . . . . . . . . . 5899 1 243 . 1 1 22 22 VAL HG23 H 1 0.907 0.000 . . . . . . . . . . 5899 1 244 . 1 1 22 22 VAL CG1 C 13 19.819 0.000 . . . . . . . . . . 5899 1 245 . 1 1 22 22 VAL CG2 C 13 23.057 0.000 . . . . . . . . . . 5899 1 246 . 1 1 23 23 PHE N N 15 115.718 0.000 . . . . . . . . . . 5899 1 247 . 1 1 23 23 PHE H H 1 8.077 0.000 . . . . . . . . . . 5899 1 248 . 1 1 23 23 PHE CA C 13 61.693 0.000 . . . . . . . . . . 5899 1 249 . 1 1 23 23 PHE HA H 1 4.553 0.000 . . . . . . . . . . 5899 1 250 . 1 1 23 23 PHE CB C 13 37.267 0.000 . . . . . . . . . . 5899 1 251 . 1 1 23 23 PHE HB2 H 1 2.847 0.002 . . . . . . . . . . 5899 1 252 . 1 1 23 23 PHE HB3 H 1 3.048 0.013 . . . . . . . . . . 5899 1 253 . 1 1 23 23 PHE HD1 H 1 7.150 0.002 . . . . . . . . . . 5899 1 254 . 1 1 23 23 PHE HE1 H 1 6.998 0.001 . . . . . . . . . . 5899 1 255 . 1 1 23 23 PHE CD1 C 13 133.614 0.020 . . . . . . . . . . 5899 1 256 . 1 1 23 23 PHE CE1 C 13 132.503 0.140 . . . . . . . . . . 5899 1 257 . 1 1 24 24 ASN N N 15 121.865 0.000 . . . . . . . . . . 5899 1 258 . 1 1 24 24 ASN H H 1 8.849 0.000 . . . . . . . . . . 5899 1 259 . 1 1 24 24 ASN CA C 13 56.919 0.000 . . . . . . . . . . 5899 1 260 . 1 1 24 24 ASN HA H 1 4.884 0.000 . . . . . . . . . . 5899 1 261 . 1 1 24 24 ASN CB C 13 38.892 0.000 . . . . . . . . . . 5899 1 262 . 1 1 24 24 ASN HB2 H 1 2.993 0.000 . . . . . . . . . . 5899 1 263 . 1 1 24 24 ASN HB3 H 1 2.749 0.000 . . . . . . . . . . 5899 1 264 . 1 1 24 24 ASN ND2 N 15 112.575 0.000 . . . . . . . . . . 5899 1 265 . 1 1 24 24 ASN HD21 H 1 7.615 0.000 . . . . . . . . . . 5899 1 266 . 1 1 24 24 ASN HD22 H 1 6.907 0.000 . . . . . . . . . . 5899 1 267 . 1 1 25 25 LYS N N 15 120.340 0.000 . . . . . . . . . . 5899 1 268 . 1 1 25 25 LYS H H 1 7.861 0.000 . . . . . . . . . . 5899 1 269 . 1 1 25 25 LYS CA C 13 59.103 0.000 . . . . . . . . . . 5899 1 270 . 1 1 25 25 LYS HA H 1 4.079 0.000 . . . . . . . . . . 5899 1 271 . 1 1 25 25 LYS CB C 13 32.024 0.000 . . . . . . . . . . 5899 1 272 . 1 1 25 25 LYS HB2 H 1 1.960 0.000 . . . . . . . . . . 5899 1 273 . 1 1 25 25 LYS CG C 13 25.464 0.001 . . . . . . . . . . 5899 1 274 . 1 1 25 25 LYS HG2 H 1 1.618 0.000 . . . . . . . . . . 5899 1 275 . 1 1 25 25 LYS HG3 H 1 1.499 0.000 . . . . . . . . . . 5899 1 276 . 1 1 25 25 LYS CD C 13 29.047 0.000 . . . . . . . . . . 5899 1 277 . 1 1 25 25 LYS HD2 H 1 1.656 0.000 . . . . . . . . . . 5899 1 278 . 1 1 25 25 LYS CE C 13 42.045 0.000 . . . . . . . . . . 5899 1 279 . 1 1 25 25 LYS HE2 H 1 2.977 0.000 . . . . . . . . . . 5899 1 280 . 1 1 26 26 GLU N N 15 115.354 0.000 . . . . . . . . . . 5899 1 281 . 1 1 26 26 GLU H H 1 7.221 0.000 . . . . . . . . . . 5899 1 282 . 1 1 26 26 GLU CA C 13 56.302 0.000 . . . . . . . . . . 5899 1 283 . 1 1 26 26 GLU HA H 1 4.208 0.000 . . . . . . . . . . 5899 1 284 . 1 1 26 26 GLU CB C 13 30.628 0.000 . . . . . . . . . . 5899 1 285 . 1 1 26 26 GLU HB2 H 1 2.401 0.000 . . . . . . . . . . 5899 1 286 . 1 1 26 26 GLU CG C 13 35.903 0.000 . . . . . . . . . . 5899 1 287 . 1 1 26 26 GLU HG2 H 1 2.210 0.000 . . . . . . . . . . 5899 1 288 . 1 1 26 26 GLU HG3 H 1 2.534 0.000 . . . . . . . . . . 5899 1 289 . 1 1 27 27 GLY N N 15 103.618 0.000 . . . . . . . . . . 5899 1 290 . 1 1 27 27 GLY H H 1 7.516 0.000 . . . . . . . . . . 5899 1 291 . 1 1 27 27 GLY CA C 13 44.801 0.000 . . . . . . . . . . 5899 1 292 . 1 1 27 27 GLY HA2 H 1 4.245 0.000 . . . . . . . . . . 5899 1 293 . 1 1 27 27 GLY HA3 H 1 3.657 0.000 . . . . . . . . . . 5899 1 294 . 1 1 28 28 TYR N N 15 118.653 0.000 . . . . . . . . . . 5899 1 295 . 1 1 28 28 TYR H H 1 7.546 0.005 . . . . . . . . . . 5899 1 296 . 1 1 28 28 TYR CA C 13 58.244 0.000 . . . . . . . . . . 5899 1 297 . 1 1 28 28 TYR HA H 1 4.490 0.000 . . . . . . . . . . 5899 1 298 . 1 1 28 28 TYR CB C 13 38.793 0.000 . . . . . . . . . . 5899 1 299 . 1 1 28 28 TYR HB2 H 1 2.876 0.006 . . . . . . . . . . 5899 1 300 . 1 1 28 28 TYR HB3 H 1 2.390 0.005 . . . . . . . . . . 5899 1 301 . 1 1 28 28 TYR HD1 H 1 7.199 0.010 . . . . . . . . . . 5899 1 302 . 1 1 28 28 TYR HE1 H 1 6.739 0.001 . . . . . . . . . . 5899 1 303 . 1 1 28 28 TYR CD1 C 13 135.172 0.003 . . . . . . . . . . 5899 1 304 . 1 1 28 28 TYR CE1 C 13 120.023 0.001 . . . . . . . . . . 5899 1 305 . 1 1 29 29 GLN N N 15 122.273 0.000 . . . . . . . . . . 5899 1 306 . 1 1 29 29 GLN H H 1 8.740 0.002 . . . . . . . . . . 5899 1 307 . 1 1 29 29 GLN CA C 13 55.646 0.000 . . . . . . . . . . 5899 1 308 . 1 1 29 29 GLN HA H 1 4.474 0.000 . . . . . . . . . . 5899 1 309 . 1 1 29 29 GLN CB C 13 29.118 0.000 . . . . . . . . . . 5899 1 310 . 1 1 29 29 GLN HB2 H 1 2.004 0.000 . . . . . . . . . . 5899 1 311 . 1 1 29 29 GLN CG C 13 34.034 0.000 . . . . . . . . . . 5899 1 312 . 1 1 29 29 GLN HG2 H 1 2.353 0.000 . . . . . . . . . . 5899 1 313 . 1 1 29 29 GLN HG3 H 1 2.123 0.000 . . . . . . . . . . 5899 1 314 . 1 1 29 29 GLN NE2 N 15 111.895 0.003 . . . . . . . . . . 5899 1 315 . 1 1 29 29 GLN HE21 H 1 7.457 0.000 . . . . . . . . . . 5899 1 316 . 1 1 29 29 GLN HE22 H 1 6.901 0.000 . . . . . . . . . . 5899 1 317 . 1 1 30 30 THR N N 15 115.891 0.000 . . . . . . . . . . 5899 1 318 . 1 1 30 30 THR H H 1 7.995 0.000 . . . . . . . . . . 5899 1 319 . 1 1 30 30 THR CA C 13 60.058 0.000 . . . . . . . . . . 5899 1 320 . 1 1 30 30 THR HA H 1 5.392 0.000 . . . . . . . . . . 5899 1 321 . 1 1 30 30 THR CB C 13 70.878 0.000 . . . . . . . . . . 5899 1 322 . 1 1 30 30 THR HB H 1 4.096 0.000 . . . . . . . . . . 5899 1 323 . 1 1 30 30 THR HG21 H 1 1.129 0.000 . . . . . . . . . . 5899 1 324 . 1 1 30 30 THR HG22 H 1 1.129 0.000 . . . . . . . . . . 5899 1 325 . 1 1 30 30 THR HG23 H 1 1.129 0.000 . . . . . . . . . . 5899 1 326 . 1 1 30 30 THR CG2 C 13 23.257 0.000 . . . . . . . . . . 5899 1 327 . 1 1 31 31 PHE N N 15 120.055 0.000 . . . . . . . . . . 5899 1 328 . 1 1 31 31 PHE H H 1 8.866 0.000 . . . . . . . . . . 5899 1 329 . 1 1 31 31 PHE CA C 13 56.282 0.000 . . . . . . . . . . 5899 1 330 . 1 1 31 31 PHE HA H 1 4.835 0.000 . . . . . . . . . . 5899 1 331 . 1 1 31 31 PHE CB C 13 44.470 0.000 . . . . . . . . . . 5899 1 332 . 1 1 31 31 PHE HB2 H 1 2.580 0.001 . . . . . . . . . . 5899 1 333 . 1 1 31 31 PHE HB3 H 1 3.187 0.001 . . . . . . . . . . 5899 1 334 . 1 1 31 31 PHE HD1 H 1 7.147 0.001 . . . . . . . . . . 5899 1 335 . 1 1 31 31 PHE CD1 C 13 134.393 0.013 . . . . . . . . . . 5899 1 336 . 1 1 32 32 GLN N N 15 119.529 0.000 . . . . . . . . . . 5899 1 337 . 1 1 32 32 GLN H H 1 9.002 0.000 . . . . . . . . . . 5899 1 338 . 1 1 32 32 GLN CA C 13 54.511 0.000 . . . . . . . . . . 5899 1 339 . 1 1 32 32 GLN HA H 1 5.422 0.000 . . . . . . . . . . 5899 1 340 . 1 1 32 32 GLN CG C 13 33.780 0.001 . . . . . . . . . . 5899 1 341 . 1 1 32 32 GLN HG2 H 1 2.300 0.000 . . . . . . . . . . 5899 1 342 . 1 1 32 32 GLN HG3 H 1 1.952 0.000 . . . . . . . . . . 5899 1 343 . 1 1 32 32 GLN NE2 N 15 110.251 0.007 . . . . . . . . . . 5899 1 344 . 1 1 32 32 GLN HE21 H 1 7.257 0.000 . . . . . . . . . . 5899 1 345 . 1 1 32 32 GLN HE22 H 1 6.523 0.000 . . . . . . . . . . 5899 1 346 . 1 1 33 33 ALA N N 15 120.551 0.000 . . . . . . . . . . 5899 1 347 . 1 1 33 33 ALA H H 1 8.925 0.000 . . . . . . . . . . 5899 1 348 . 1 1 33 33 ALA CA C 13 50.613 0.000 . . . . . . . . . . 5899 1 349 . 1 1 33 33 ALA HA H 1 4.717 0.000 . . . . . . . . . . 5899 1 350 . 1 1 33 33 ALA HB1 H 1 1.424 0.000 . . . . . . . . . . 5899 1 351 . 1 1 33 33 ALA HB2 H 1 1.424 0.000 . . . . . . . . . . 5899 1 352 . 1 1 33 33 ALA HB3 H 1 1.424 0.000 . . . . . . . . . . 5899 1 353 . 1 1 33 33 ALA CB C 13 23.455 0.000 . . . . . . . . . . 5899 1 354 . 1 1 34 34 ALA N N 15 121.602 0.000 . . . . . . . . . . 5899 1 355 . 1 1 34 34 ALA H H 1 8.530 0.000 . . . . . . . . . . 5899 1 356 . 1 1 34 34 ALA CA C 13 51.130 0.000 . . . . . . . . . . 5899 1 357 . 1 1 34 34 ALA HA H 1 4.684 0.000 . . . . . . . . . . 5899 1 358 . 1 1 34 34 ALA HB1 H 1 1.438 0.000 . . . . . . . . . . 5899 1 359 . 1 1 34 34 ALA HB2 H 1 1.438 0.000 . . . . . . . . . . 5899 1 360 . 1 1 34 34 ALA HB3 H 1 1.438 0.000 . . . . . . . . . . 5899 1 361 . 1 1 34 34 ALA CB C 13 21.014 0.000 . . . . . . . . . . 5899 1 362 . 1 1 35 35 ASN N N 15 108.260 0.000 . . . . . . . . . . 5899 1 363 . 1 1 35 35 ASN H H 1 7.316 0.000 . . . . . . . . . . 5899 1 364 . 1 1 35 35 ASN CA C 13 51.094 0.000 . . . . . . . . . . 5899 1 365 . 1 1 35 35 ASN HA H 1 4.647 0.000 . . . . . . . . . . 5899 1 366 . 1 1 35 35 ASN CB C 13 40.190 0.000 . . . . . . . . . . 5899 1 367 . 1 1 35 35 ASN HB2 H 1 3.035 0.000 . . . . . . . . . . 5899 1 368 . 1 1 35 35 ASN HB3 H 1 2.930 0.000 . . . . . . . . . . 5899 1 369 . 1 1 35 35 ASN ND2 N 15 114.568 0.002 . . . . . . . . . . 5899 1 370 . 1 1 35 35 ASN HD21 H 1 7.632 0.000 . . . . . . . . . . 5899 1 371 . 1 1 35 35 ASN HD22 H 1 6.898 0.000 . . . . . . . . . . 5899 1 372 . 1 1 36 36 GLY N N 15 106.917 0.000 . . . . . . . . . . 5899 1 373 . 1 1 36 36 GLY H H 1 9.639 0.000 . . . . . . . . . . 5899 1 374 . 1 1 36 36 GLY CA C 13 48.555 0.000 . . . . . . . . . . 5899 1 375 . 1 1 36 36 GLY HA2 H 1 3.558 0.000 . . . . . . . . . . 5899 1 376 . 1 1 36 36 GLY HA3 H 1 3.937 0.000 . . . . . . . . . . 5899 1 377 . 1 1 37 37 LEU N N 15 122.244 0.000 . . . . . . . . . . 5899 1 378 . 1 1 37 37 LEU H H 1 8.070 0.000 . . . . . . . . . . 5899 1 379 . 1 1 37 37 LEU CA C 13 58.425 0.000 . . . . . . . . . . 5899 1 380 . 1 1 37 37 LEU HA H 1 4.047 0.000 . . . . . . . . . . 5899 1 381 . 1 1 37 37 LEU CB C 13 40.930 0.000 . . . . . . . . . . 5899 1 382 . 1 1 37 37 LEU HB2 H 1 1.550 0.000 . . . . . . . . . . 5899 1 383 . 1 1 37 37 LEU HB3 H 1 1.773 0.000 . . . . . . . . . . 5899 1 384 . 1 1 37 37 LEU CG C 13 27.155 0.000 . . . . . . . . . . 5899 1 385 . 1 1 37 37 LEU HG H 1 1.939 0.000 . . . . . . . . . . 5899 1 386 . 1 1 37 37 LEU HD11 H 1 0.919 0.000 . . . . . . . . . . 5899 1 387 . 1 1 37 37 LEU HD12 H 1 0.919 0.000 . . . . . . . . . . 5899 1 388 . 1 1 37 37 LEU HD13 H 1 0.919 0.000 . . . . . . . . . . 5899 1 389 . 1 1 37 37 LEU HD21 H 1 0.918 0.000 . . . . . . . . . . 5899 1 390 . 1 1 37 37 LEU HD22 H 1 0.918 0.000 . . . . . . . . . . 5899 1 391 . 1 1 37 37 LEU HD23 H 1 0.918 0.000 . . . . . . . . . . 5899 1 392 . 1 1 37 37 LEU CD1 C 13 24.990 0.000 . . . . . . . . . . 5899 1 393 . 1 1 37 37 LEU CD2 C 13 22.965 0.000 . . . . . . . . . . 5899 1 394 . 1 1 38 38 GLN N N 15 118.595 0.000 . . . . . . . . . . 5899 1 395 . 1 1 38 38 GLN H H 1 8.448 0.000 . . . . . . . . . . 5899 1 396 . 1 1 38 38 GLN CA C 13 58.368 0.000 . . . . . . . . . . 5899 1 397 . 1 1 38 38 GLN HA H 1 4.168 0.000 . . . . . . . . . . 5899 1 398 . 1 1 38 38 GLN CB C 13 29.458 0.000 . . . . . . . . . . 5899 1 399 . 1 1 38 38 GLN HB2 H 1 2.116 0.000 . . . . . . . . . . 5899 1 400 . 1 1 38 38 GLN CG C 13 33.703 0.000 . . . . . . . . . . 5899 1 401 . 1 1 38 38 GLN HG2 H 1 2.463 0.000 . . . . . . . . . . 5899 1 402 . 1 1 38 38 GLN HG3 H 1 2.755 0.000 . . . . . . . . . . 5899 1 403 . 1 1 38 38 GLN NE2 N 15 111.343 0.000 . . . . . . . . . . 5899 1 404 . 1 1 38 38 GLN HE21 H 1 7.565 0.000 . . . . . . . . . . 5899 1 405 . 1 1 38 38 GLN HE22 H 1 6.902 0.000 . . . . . . . . . . 5899 1 406 . 1 1 39 39 ALA N N 15 119.996 0.000 . . . . . . . . . . 5899 1 407 . 1 1 39 39 ALA H H 1 7.935 0.000 . . . . . . . . . . 5899 1 408 . 1 1 39 39 ALA CA C 13 55.348 0.000 . . . . . . . . . . 5899 1 409 . 1 1 39 39 ALA HA H 1 3.712 0.000 . . . . . . . . . . 5899 1 410 . 1 1 39 39 ALA HB1 H 1 1.362 0.000 . . . . . . . . . . 5899 1 411 . 1 1 39 39 ALA HB2 H 1 1.362 0.000 . . . . . . . . . . 5899 1 412 . 1 1 39 39 ALA HB3 H 1 1.362 0.000 . . . . . . . . . . 5899 1 413 . 1 1 39 39 ALA CB C 13 19.248 0.000 . . . . . . . . . . 5899 1 414 . 1 1 40 40 LEU N N 15 116.872 0.000 . . . . . . . . . . 5899 1 415 . 1 1 40 40 LEU H H 1 8.389 0.000 . . . . . . . . . . 5899 1 416 . 1 1 40 40 LEU CA C 13 57.838 0.000 . . . . . . . . . . 5899 1 417 . 1 1 40 40 LEU HA H 1 3.775 0.000 . . . . . . . . . . 5899 1 418 . 1 1 40 40 LEU CB C 13 40.503 0.000 . . . . . . . . . . 5899 1 419 . 1 1 40 40 LEU HB2 H 1 1.419 0.000 . . . . . . . . . . 5899 1 420 . 1 1 40 40 LEU HB3 H 1 1.869 0.000 . . . . . . . . . . 5899 1 421 . 1 1 40 40 LEU CG C 13 26.748 0.000 . . . . . . . . . . 5899 1 422 . 1 1 40 40 LEU HG H 1 1.948 0.000 . . . . . . . . . . 5899 1 423 . 1 1 40 40 LEU HD11 H 1 0.749 0.000 . . . . . . . . . . 5899 1 424 . 1 1 40 40 LEU HD12 H 1 0.749 0.000 . . . . . . . . . . 5899 1 425 . 1 1 40 40 LEU HD13 H 1 0.749 0.000 . . . . . . . . . . 5899 1 426 . 1 1 40 40 LEU HD21 H 1 0.826 0.000 . . . . . . . . . . 5899 1 427 . 1 1 40 40 LEU HD22 H 1 0.826 0.000 . . . . . . . . . . 5899 1 428 . 1 1 40 40 LEU HD23 H 1 0.826 0.000 . . . . . . . . . . 5899 1 429 . 1 1 40 40 LEU CD1 C 13 23.126 0.000 . . . . . . . . . . 5899 1 430 . 1 1 40 40 LEU CD2 C 13 25.729 0.000 . . . . . . . . . . 5899 1 431 . 1 1 41 41 ASP N N 15 121.777 0.000 . . . . . . . . . . 5899 1 432 . 1 1 41 41 ASP H H 1 7.663 0.000 . . . . . . . . . . 5899 1 433 . 1 1 41 41 ASP CA C 13 57.744 0.000 . . . . . . . . . . 5899 1 434 . 1 1 41 41 ASP HA H 1 4.410 0.000 . . . . . . . . . . 5899 1 435 . 1 1 41 41 ASP CB C 13 41.198 0.000 . . . . . . . . . . 5899 1 436 . 1 1 41 41 ASP HB2 H 1 2.783 0.000 . . . . . . . . . . 5899 1 437 . 1 1 42 42 ILE N N 15 119.004 0.000 . . . . . . . . . . 5899 1 438 . 1 1 42 42 ILE H H 1 7.793 0.000 . . . . . . . . . . 5899 1 439 . 1 1 42 42 ILE CA C 13 65.072 0.000 . . . . . . . . . . 5899 1 440 . 1 1 42 42 ILE HA H 1 3.593 0.000 . . . . . . . . . . 5899 1 441 . 1 1 42 42 ILE CB C 13 37.185 0.000 . . . . . . . . . . 5899 1 442 . 1 1 42 42 ILE HB H 1 1.770 0.000 . . . . . . . . . . 5899 1 443 . 1 1 42 42 ILE HG21 H 1 0.452 0.000 . . . . . . . . . . 5899 1 444 . 1 1 42 42 ILE HG22 H 1 0.452 0.000 . . . . . . . . . . 5899 1 445 . 1 1 42 42 ILE HG23 H 1 0.452 0.000 . . . . . . . . . . 5899 1 446 . 1 1 42 42 ILE CG2 C 13 18.219 0.000 . . . . . . . . . . 5899 1 447 . 1 1 42 42 ILE CG1 C 13 29.261 0.008 . . . . . . . . . . 5899 1 448 . 1 1 42 42 ILE HG12 H 1 1.881 0.000 . . . . . . . . . . 5899 1 449 . 1 1 42 42 ILE HG13 H 1 1.155 0.000 . . . . . . . . . . 5899 1 450 . 1 1 42 42 ILE HD11 H 1 0.873 0.000 . . . . . . . . . . 5899 1 451 . 1 1 42 42 ILE HD12 H 1 0.873 0.000 . . . . . . . . . . 5899 1 452 . 1 1 42 42 ILE HD13 H 1 0.873 0.000 . . . . . . . . . . 5899 1 453 . 1 1 42 42 ILE CD1 C 13 14.479 0.000 . . . . . . . . . . 5899 1 454 . 1 1 43 43 VAL N N 15 120.901 0.000 . . . . . . . . . . 5899 1 455 . 1 1 43 43 VAL H H 1 8.566 0.000 . . . . . . . . . . 5899 1 456 . 1 1 43 43 VAL CA C 13 67.432 0.000 . . . . . . . . . . 5899 1 457 . 1 1 43 43 VAL HA H 1 3.295 0.000 . . . . . . . . . . 5899 1 458 . 1 1 43 43 VAL CB C 13 31.116 0.000 . . . . . . . . . . 5899 1 459 . 1 1 43 43 VAL HB H 1 2.078 0.000 . . . . . . . . . . 5899 1 460 . 1 1 43 43 VAL HG11 H 1 0.883 0.000 . . . . . . . . . . 5899 1 461 . 1 1 43 43 VAL HG12 H 1 0.883 0.000 . . . . . . . . . . 5899 1 462 . 1 1 43 43 VAL HG13 H 1 0.883 0.000 . . . . . . . . . . 5899 1 463 . 1 1 43 43 VAL HG21 H 1 0.917 0.000 . . . . . . . . . . 5899 1 464 . 1 1 43 43 VAL HG22 H 1 0.917 0.000 . . . . . . . . . . 5899 1 465 . 1 1 43 43 VAL HG23 H 1 0.917 0.000 . . . . . . . . . . 5899 1 466 . 1 1 43 43 VAL CG1 C 13 24.226 0.000 . . . . . . . . . . 5899 1 467 . 1 1 43 43 VAL CG2 C 13 21.502 0.000 . . . . . . . . . . 5899 1 468 . 1 1 44 44 THR N N 15 113.748 0.000 . . . . . . . . . . 5899 1 469 . 1 1 44 44 THR H H 1 7.923 0.000 . . . . . . . . . . 5899 1 470 . 1 1 44 44 THR CA C 13 66.883 0.000 . . . . . . . . . . 5899 1 471 . 1 1 44 44 THR HA H 1 3.694 0.000 . . . . . . . . . . 5899 1 472 . 1 1 44 44 THR CB C 13 69.048 0.000 . . . . . . . . . . 5899 1 473 . 1 1 44 44 THR HB H 1 4.314 0.000 . . . . . . . . . . 5899 1 474 . 1 1 44 44 THR HG21 H 1 1.215 0.000 . . . . . . . . . . 5899 1 475 . 1 1 44 44 THR HG22 H 1 1.215 0.000 . . . . . . . . . . 5899 1 476 . 1 1 44 44 THR HG23 H 1 1.215 0.000 . . . . . . . . . . 5899 1 477 . 1 1 44 44 THR CG2 C 13 21.283 0.000 . . . . . . . . . . 5899 1 478 . 1 1 45 45 LYS N N 15 118.420 0.000 . . . . . . . . . . 5899 1 479 . 1 1 45 45 LYS H H 1 7.817 0.000 . . . . . . . . . . 5899 1 480 . 1 1 45 45 LYS CA C 13 59.024 0.000 . . . . . . . . . . 5899 1 481 . 1 1 45 45 LYS HA H 1 4.077 0.000 . . . . . . . . . . 5899 1 482 . 1 1 45 45 LYS CB C 13 34.650 0.000 . . . . . . . . . . 5899 1 483 . 1 1 45 45 LYS HB2 H 1 1.762 0.000 . . . . . . . . . . 5899 1 484 . 1 1 45 45 LYS CG C 13 25.705 0.000 . . . . . . . . . . 5899 1 485 . 1 1 45 45 LYS HG2 H 1 1.450 0.000 . . . . . . . . . . 5899 1 486 . 1 1 45 45 LYS HG3 H 1 1.310 0.000 . . . . . . . . . . 5899 1 487 . 1 1 45 45 LYS CD C 13 29.178 0.000 . . . . . . . . . . 5899 1 488 . 1 1 45 45 LYS HD2 H 1 1.586 0.000 . . . . . . . . . . 5899 1 489 . 1 1 45 45 LYS CE C 13 42.190 0.000 . . . . . . . . . . 5899 1 490 . 1 1 45 45 LYS HE2 H 1 2.995 0.000 . . . . . . . . . . 5899 1 491 . 1 1 46 46 GLU N N 15 114.099 0.000 . . . . . . . . . . 5899 1 492 . 1 1 46 46 GLU H H 1 8.725 0.000 . . . . . . . . . . 5899 1 493 . 1 1 46 46 GLU CA C 13 55.240 0.000 . . . . . . . . . . 5899 1 494 . 1 1 46 46 GLU HA H 1 4.343 0.000 . . . . . . . . . . 5899 1 495 . 1 1 46 46 GLU CB C 13 29.899 0.000 . . . . . . . . . . 5899 1 496 . 1 1 46 46 GLU HB2 H 1 1.412 0.000 . . . . . . . . . . 5899 1 497 . 1 1 46 46 GLU HB3 H 1 1.088 0.000 . . . . . . . . . . 5899 1 498 . 1 1 46 46 GLU CG C 13 34.268 0.000 . . . . . . . . . . 5899 1 499 . 1 1 46 46 GLU HG2 H 1 1.814 0.000 . . . . . . . . . . 5899 1 500 . 1 1 46 46 GLU HG3 H 1 1.294 0.000 . . . . . . . . . . 5899 1 501 . 1 1 47 47 ARG N N 15 112.574 0.000 . . . . . . . . . . 5899 1 502 . 1 1 47 47 ARG H H 1 7.619 0.000 . . . . . . . . . . 5899 1 503 . 1 1 47 47 ARG CA C 13 55.173 0.000 . . . . . . . . . . 5899 1 504 . 1 1 47 47 ARG HA H 1 4.260 0.000 . . . . . . . . . . 5899 1 505 . 1 1 47 47 ARG CG C 13 26.283 0.000 . . . . . . . . . . 5899 1 506 . 1 1 47 47 ARG HG2 H 1 1.558 0.000 . . . . . . . . . . 5899 1 507 . 1 1 47 47 ARG HG3 H 1 1.503 0.000 . . . . . . . . . . 5899 1 508 . 1 1 47 47 ARG CD C 13 42.231 0.000 . . . . . . . . . . 5899 1 509 . 1 1 47 47 ARG HD2 H 1 3.165 0.000 . . . . . . . . . . 5899 1 510 . 1 1 47 47 ARG NE N 15 83.329 0.000 . . . . . . . . . . 5899 1 511 . 1 1 47 47 ARG HE H 1 7.155 0.000 . . . . . . . . . . 5899 1 512 . 1 1 48 48 PRO CD C 13 50.804 0.003 . . . . . . . . . . 5899 1 513 . 1 1 48 48 PRO CA C 13 62.673 0.000 . . . . . . . . . . 5899 1 514 . 1 1 48 48 PRO HA H 1 4.133 0.000 . . . . . . . . . . 5899 1 515 . 1 1 48 48 PRO CB C 13 31.522 0.000 . . . . . . . . . . 5899 1 516 . 1 1 48 48 PRO HB2 H 1 1.810 0.000 . . . . . . . . . . 5899 1 517 . 1 1 48 48 PRO HB3 H 1 1.620 0.000 . . . . . . . . . . 5899 1 518 . 1 1 48 48 PRO CG C 13 27.157 0.002 . . . . . . . . . . 5899 1 519 . 1 1 48 48 PRO HG2 H 1 1.780 0.000 . . . . . . . . . . 5899 1 520 . 1 1 48 48 PRO HG3 H 1 1.484 0.000 . . . . . . . . . . 5899 1 521 . 1 1 48 48 PRO HD2 H 1 3.408 0.000 . . . . . . . . . . 5899 1 522 . 1 1 48 48 PRO HD3 H 1 3.672 0.000 . . . . . . . . . . 5899 1 523 . 1 1 49 49 ASP N N 15 119.325 0.000 . . . . . . . . . . 5899 1 524 . 1 1 49 49 ASP H H 1 8.253 0.000 . . . . . . . . . . 5899 1 525 . 1 1 49 49 ASP CA C 13 56.608 0.000 . . . . . . . . . . 5899 1 526 . 1 1 49 49 ASP HA H 1 4.482 0.000 . . . . . . . . . . 5899 1 527 . 1 1 49 49 ASP CB C 13 43.772 0.000 . . . . . . . . . . 5899 1 528 . 1 1 49 49 ASP HB2 H 1 2.666 0.000 . . . . . . . . . . 5899 1 529 . 1 1 50 50 LEU N N 15 117.281 0.000 . . . . . . . . . . 5899 1 530 . 1 1 50 50 LEU H H 1 7.616 0.000 . . . . . . . . . . 5899 1 531 . 1 1 50 50 LEU CA C 13 54.377 0.000 . . . . . . . . . . 5899 1 532 . 1 1 50 50 LEU HA H 1 4.926 0.000 . . . . . . . . . . 5899 1 533 . 1 1 50 50 LEU CB C 13 46.822 0.000 . . . . . . . . . . 5899 1 534 . 1 1 50 50 LEU HB2 H 1 1.394 0.000 . . . . . . . . . . 5899 1 535 . 1 1 50 50 LEU HB3 H 1 1.251 0.000 . . . . . . . . . . 5899 1 536 . 1 1 50 50 LEU HD11 H 1 0.650 0.000 . . . . . . . . . . 5899 1 537 . 1 1 50 50 LEU HD12 H 1 0.650 0.000 . . . . . . . . . . 5899 1 538 . 1 1 50 50 LEU HD13 H 1 0.650 0.000 . . . . . . . . . . 5899 1 539 . 1 1 50 50 LEU HD21 H 1 0.533 0.000 . . . . . . . . . . 5899 1 540 . 1 1 50 50 LEU HD22 H 1 0.533 0.000 . . . . . . . . . . 5899 1 541 . 1 1 50 50 LEU HD23 H 1 0.533 0.000 . . . . . . . . . . 5899 1 542 . 1 1 50 50 LEU CD1 C 13 24.556 0.000 . . . . . . . . . . 5899 1 543 . 1 1 50 50 LEU CD2 C 13 27.033 0.000 . . . . . . . . . . 5899 1 544 . 1 1 51 51 VAL N N 15 125.222 0.000 . . . . . . . . . . 5899 1 545 . 1 1 51 51 VAL H H 1 8.778 0.000 . . . . . . . . . . 5899 1 546 . 1 1 51 51 VAL CA C 13 59.829 0.000 . . . . . . . . . . 5899 1 547 . 1 1 51 51 VAL HA H 1 5.057 0.000 . . . . . . . . . . 5899 1 548 . 1 1 51 51 VAL CB C 13 35.181 0.000 . . . . . . . . . . 5899 1 549 . 1 1 51 51 VAL HB H 1 1.969 0.000 . . . . . . . . . . 5899 1 550 . 1 1 51 51 VAL HG11 H 1 0.720 0.000 . . . . . . . . . . 5899 1 551 . 1 1 51 51 VAL HG12 H 1 0.720 0.000 . . . . . . . . . . 5899 1 552 . 1 1 51 51 VAL HG13 H 1 0.720 0.000 . . . . . . . . . . 5899 1 553 . 1 1 51 51 VAL HG21 H 1 0.837 0.000 . . . . . . . . . . 5899 1 554 . 1 1 51 51 VAL HG22 H 1 0.837 0.000 . . . . . . . . . . 5899 1 555 . 1 1 51 51 VAL HG23 H 1 0.837 0.000 . . . . . . . . . . 5899 1 556 . 1 1 51 51 VAL CG1 C 13 21.715 0.000 . . . . . . . . . . 5899 1 557 . 1 1 51 51 VAL CG2 C 13 21.492 0.000 . . . . . . . . . . 5899 1 558 . 1 1 52 52 LEU N N 15 128.988 0.000 . . . . . . . . . . 5899 1 559 . 1 1 52 52 LEU H H 1 9.043 0.000 . . . . . . . . . . 5899 1 560 . 1 1 52 52 LEU CA C 13 53.950 0.000 . . . . . . . . . . 5899 1 561 . 1 1 52 52 LEU HA H 1 5.048 0.000 . . . . . . . . . . 5899 1 562 . 1 1 52 52 LEU CB C 13 42.513 0.000 . . . . . . . . . . 5899 1 563 . 1 1 52 52 LEU HB2 H 1 1.603 0.000 . . . . . . . . . . 5899 1 564 . 1 1 52 52 LEU CG C 13 28.513 0.000 . . . . . . . . . . 5899 1 565 . 1 1 52 52 LEU HG H 1 1.383 0.000 . . . . . . . . . . 5899 1 566 . 1 1 52 52 LEU HD11 H 1 0.614 0.000 . . . . . . . . . . 5899 1 567 . 1 1 52 52 LEU HD12 H 1 0.614 0.000 . . . . . . . . . . 5899 1 568 . 1 1 52 52 LEU HD13 H 1 0.614 0.000 . . . . . . . . . . 5899 1 569 . 1 1 52 52 LEU HD21 H 1 0.622 0.000 . . . . . . . . . . 5899 1 570 . 1 1 52 52 LEU HD22 H 1 0.622 0.000 . . . . . . . . . . 5899 1 571 . 1 1 52 52 LEU HD23 H 1 0.622 0.000 . . . . . . . . . . 5899 1 572 . 1 1 52 52 LEU CD1 C 13 14.469 0.000 . . . . . . . . . . 5899 1 573 . 1 1 52 52 LEU CD2 C 13 25.868 0.000 . . . . . . . . . . 5899 1 574 . 1 1 53 53 LEU N N 15 127.090 0.000 . . . . . . . . . . 5899 1 575 . 1 1 53 53 LEU H H 1 9.061 0.000 . . . . . . . . . . 5899 1 576 . 1 1 53 53 LEU CA C 13 53.709 0.000 . . . . . . . . . . 5899 1 577 . 1 1 53 53 LEU HA H 1 4.740 0.000 . . . . . . . . . . 5899 1 578 . 1 1 53 53 LEU CB C 13 47.613 0.000 . . . . . . . . . . 5899 1 579 . 1 1 53 53 LEU HB2 H 1 1.814 0.000 . . . . . . . . . . 5899 1 580 . 1 1 53 53 LEU HB3 H 1 0.842 0.000 . . . . . . . . . . 5899 1 581 . 1 1 53 53 LEU HD11 H 1 0.664 0.000 . . . . . . . . . . 5899 1 582 . 1 1 53 53 LEU HD12 H 1 0.664 0.000 . . . . . . . . . . 5899 1 583 . 1 1 53 53 LEU HD13 H 1 0.664 0.000 . . . . . . . . . . 5899 1 584 . 1 1 53 53 LEU HD21 H 1 0.803 0.000 . . . . . . . . . . 5899 1 585 . 1 1 53 53 LEU HD22 H 1 0.803 0.000 . . . . . . . . . . 5899 1 586 . 1 1 53 53 LEU HD23 H 1 0.803 0.000 . . . . . . . . . . 5899 1 587 . 1 1 53 53 LEU CD1 C 13 24.677 0.000 . . . . . . . . . . 5899 1 588 . 1 1 53 53 LEU CD2 C 13 26.523 0.000 . . . . . . . . . . 5899 1 589 . 1 1 54 54 ASP N N 15 127.405 0.000 . . . . . . . . . . 5899 1 590 . 1 1 54 54 ASP H H 1 8.132 0.000 . . . . . . . . . . 5899 1 591 . 1 1 54 54 ASP CA C 13 52.802 0.000 . . . . . . . . . . 5899 1 592 . 1 1 54 54 ASP HA H 1 5.699 0.000 . . . . . . . . . . 5899 1 593 . 1 1 54 54 ASP CB C 13 44.553 0.003 . . . . . . . . . . 5899 1 594 . 1 1 54 54 ASP HB2 H 1 2.587 0.000 . . . . . . . . . . 5899 1 595 . 1 1 54 54 ASP HB3 H 1 3.619 0.000 . . . . . . . . . . 5899 1 596 . 1 1 55 55 MET N N 15 116.522 0.000 . . . . . . . . . . 5899 1 597 . 1 1 55 55 MET H H 1 7.327 0.000 . . . . . . . . . . 5899 1 598 . 1 1 55 55 MET CA C 13 56.451 0.000 . . . . . . . . . . 5899 1 599 . 1 1 55 55 MET HA H 1 4.856 0.000 . . . . . . . . . . 5899 1 600 . 1 1 55 55 MET CB C 13 33.551 0.000 . . . . . . . . . . 5899 1 601 . 1 1 55 55 MET HB2 H 1 2.053 0.000 . . . . . . . . . . 5899 1 602 . 1 1 55 55 MET HB3 H 1 1.933 0.000 . . . . . . . . . . 5899 1 603 . 1 1 55 55 MET HE1 H 1 2.076 0.000 . . . . . . . . . . 5899 1 604 . 1 1 55 55 MET HE2 H 1 2.076 0.000 . . . . . . . . . . 5899 1 605 . 1 1 55 55 MET HE3 H 1 2.076 0.000 . . . . . . . . . . 5899 1 606 . 1 1 55 55 MET CE C 13 17.940 0.000 . . . . . . . . . . 5899 1 607 . 1 1 56 56 LYS N N 15 119.902 0.000 . . . . . . . . . . 5899 1 608 . 1 1 56 56 LYS H H 1 8.892 0.000 . . . . . . . . . . 5899 1 609 . 1 1 56 56 LYS CA C 13 55.117 0.000 . . . . . . . . . . 5899 1 610 . 1 1 56 56 LYS HA H 1 4.602 0.000 . . . . . . . . . . 5899 1 611 . 1 1 56 56 LYS CG C 13 24.285 0.000 . . . . . . . . . . 5899 1 612 . 1 1 56 56 LYS HG2 H 1 1.231 0.000 . . . . . . . . . . 5899 1 613 . 1 1 56 56 LYS CE C 13 42.428 0.000 . . . . . . . . . . 5899 1 614 . 1 1 56 56 LYS HE2 H 1 2.938 0.000 . . . . . . . . . . 5899 1 615 . 1 1 56 56 LYS HE3 H 1 2.970 0.000 . . . . . . . . . . 5899 1 616 . 1 1 57 57 ILE N N 15 131.324 0.000 . . . . . . . . . . 5899 1 617 . 1 1 57 57 ILE H H 1 7.386 0.000 . . . . . . . . . . 5899 1 618 . 1 1 57 57 ILE CA C 13 58.330 0.000 . . . . . . . . . . 5899 1 619 . 1 1 57 57 ILE HA H 1 4.479 0.000 . . . . . . . . . . 5899 1 620 . 1 1 57 57 ILE CB C 13 41.711 0.000 . . . . . . . . . . 5899 1 621 . 1 1 57 57 ILE HB H 1 1.948 0.000 . . . . . . . . . . 5899 1 622 . 1 1 57 57 ILE HG21 H 1 1.006 0.000 . . . . . . . . . . 5899 1 623 . 1 1 57 57 ILE HG22 H 1 1.006 0.000 . . . . . . . . . . 5899 1 624 . 1 1 57 57 ILE HG23 H 1 1.006 0.000 . . . . . . . . . . 5899 1 625 . 1 1 57 57 ILE CG2 C 13 18.527 0.000 . . . . . . . . . . 5899 1 626 . 1 1 58 58 PRO CD C 13 51.175 0.000 . . . . . . . . . . 5899 1 627 . 1 1 58 58 PRO CA C 13 63.908 0.000 . . . . . . . . . . 5899 1 628 . 1 1 58 58 PRO HA H 1 4.259 0.000 . . . . . . . . . . 5899 1 629 . 1 1 58 58 PRO CB C 13 31.890 0.000 . . . . . . . . . . 5899 1 630 . 1 1 58 58 PRO HB2 H 1 2.330 0.000 . . . . . . . . . . 5899 1 631 . 1 1 58 58 PRO HB3 H 1 1.888 0.000 . . . . . . . . . . 5899 1 632 . 1 1 58 58 PRO CG C 13 27.784 0.000 . . . . . . . . . . 5899 1 633 . 1 1 58 58 PRO HG2 H 1 2.178 0.000 . . . . . . . . . . 5899 1 634 . 1 1 58 58 PRO HG3 H 1 1.980 0.000 . . . . . . . . . . 5899 1 635 . 1 1 58 58 PRO HD2 H 1 3.658 0.000 . . . . . . . . . . 5899 1 636 . 1 1 58 58 PRO HD3 H 1 3.760 0.000 . . . . . . . . . . 5899 1 637 . 1 1 59 59 GLY N N 15 114.896 0.000 . . . . . . . . . . 5899 1 638 . 1 1 59 59 GLY H H 1 8.774 0.000 . . . . . . . . . . 5899 1 639 . 1 1 59 59 GLY CA C 13 46.487 0.000 . . . . . . . . . . 5899 1 640 . 1 1 59 59 GLY HA2 H 1 4.345 0.000 . . . . . . . . . . 5899 1 641 . 1 1 59 59 GLY HA3 H 1 3.501 0.000 . . . . . . . . . . 5899 1 642 . 1 1 60 60 MET N N 15 124.054 0.000 . . . . . . . . . . 5899 1 643 . 1 1 60 60 MET H H 1 7.416 0.000 . . . . . . . . . . 5899 1 644 . 1 1 60 60 MET CA C 13 56.597 0.000 . . . . . . . . . . 5899 1 645 . 1 1 60 60 MET HA H 1 4.285 0.000 . . . . . . . . . . 5899 1 646 . 1 1 60 60 MET CB C 13 34.688 0.000 . . . . . . . . . . 5899 1 647 . 1 1 60 60 MET HB2 H 1 1.909 0.000 . . . . . . . . . . 5899 1 648 . 1 1 60 60 MET CG C 13 31.344 0.001 . . . . . . . . . . 5899 1 649 . 1 1 60 60 MET HG2 H 1 2.329 0.000 . . . . . . . . . . 5899 1 650 . 1 1 60 60 MET HG3 H 1 2.499 0.000 . . . . . . . . . . 5899 1 651 . 1 1 60 60 MET HE1 H 1 1.935 0.000 . . . . . . . . . . 5899 1 652 . 1 1 60 60 MET HE2 H 1 1.935 0.000 . . . . . . . . . . 5899 1 653 . 1 1 60 60 MET HE3 H 1 1.935 0.000 . . . . . . . . . . 5899 1 654 . 1 1 60 60 MET CE C 13 16.047 0.000 . . . . . . . . . . 5899 1 655 . 1 1 61 61 ASP N N 15 124.580 0.000 . . . . . . . . . . 5899 1 656 . 1 1 61 61 ASP H H 1 8.430 0.000 . . . . . . . . . . 5899 1 657 . 1 1 61 61 ASP CA C 13 53.701 0.000 . . . . . . . . . . 5899 1 658 . 1 1 61 61 ASP HA H 1 4.628 0.000 . . . . . . . . . . 5899 1 659 . 1 1 61 61 ASP CB C 13 41.713 0.000 . . . . . . . . . . 5899 1 660 . 1 1 61 61 ASP HB2 H 1 3.279 0.000 . . . . . . . . . . 5899 1 661 . 1 1 61 61 ASP HB3 H 1 2.949 0.000 . . . . . . . . . . 5899 1 662 . 1 1 62 62 GLY N N 15 103.881 0.000 . . . . . . . . . . 5899 1 663 . 1 1 62 62 GLY H H 1 9.456 0.000 . . . . . . . . . . 5899 1 664 . 1 1 62 62 GLY CA C 13 47.999 0.000 . . . . . . . . . . 5899 1 665 . 1 1 62 62 GLY HA2 H 1 3.789 0.000 . . . . . . . . . . 5899 1 666 . 1 1 62 62 GLY HA3 H 1 4.461 0.000 . . . . . . . . . . 5899 1 667 . 1 1 63 63 ILE N N 15 120.055 0.000 . . . . . . . . . . 5899 1 668 . 1 1 63 63 ILE H H 1 7.775 0.000 . . . . . . . . . . 5899 1 669 . 1 1 63 63 ILE CA C 13 62.382 0.000 . . . . . . . . . . 5899 1 670 . 1 1 63 63 ILE HA H 1 3.760 0.000 . . . . . . . . . . 5899 1 671 . 1 1 63 63 ILE CB C 13 35.362 0.000 . . . . . . . . . . 5899 1 672 . 1 1 63 63 ILE HB H 1 2.175 0.000 . . . . . . . . . . 5899 1 673 . 1 1 63 63 ILE HG21 H 1 0.821 0.000 . . . . . . . . . . 5899 1 674 . 1 1 63 63 ILE HG22 H 1 0.821 0.000 . . . . . . . . . . 5899 1 675 . 1 1 63 63 ILE HG23 H 1 0.821 0.000 . . . . . . . . . . 5899 1 676 . 1 1 63 63 ILE CG2 C 13 17.562 0.000 . . . . . . . . . . 5899 1 677 . 1 1 63 63 ILE CG1 C 13 27.637 0.000 . . . . . . . . . . 5899 1 678 . 1 1 63 63 ILE HG12 H 1 1.507 0.000 . . . . . . . . . . 5899 1 679 . 1 1 63 63 ILE HD11 H 1 0.719 0.000 . . . . . . . . . . 5899 1 680 . 1 1 63 63 ILE HD12 H 1 0.719 0.000 . . . . . . . . . . 5899 1 681 . 1 1 63 63 ILE HD13 H 1 0.719 0.000 . . . . . . . . . . 5899 1 682 . 1 1 63 63 ILE CD1 C 13 10.651 0.000 . . . . . . . . . . 5899 1 683 . 1 1 64 64 GLU N N 15 121.281 0.000 . . . . . . . . . . 5899 1 684 . 1 1 64 64 GLU H H 1 7.640 0.000 . . . . . . . . . . 5899 1 685 . 1 1 64 64 GLU CA C 13 59.058 0.000 . . . . . . . . . . 5899 1 686 . 1 1 64 64 GLU HA H 1 3.985 0.000 . . . . . . . . . . 5899 1 687 . 1 1 64 64 GLU CB C 13 29.014 0.000 . . . . . . . . . . 5899 1 688 . 1 1 64 64 GLU HB2 H 1 2.010 0.000 . . . . . . . . . . 5899 1 689 . 1 1 64 64 GLU CG C 13 36.020 0.000 . . . . . . . . . . 5899 1 690 . 1 1 64 64 GLU HG2 H 1 2.357 0.000 . . . . . . . . . . 5899 1 691 . 1 1 65 65 ILE N N 15 118.449 0.000 . . . . . . . . . . 5899 1 692 . 1 1 65 65 ILE H H 1 8.509 0.000 . . . . . . . . . . 5899 1 693 . 1 1 65 65 ILE CA C 13 66.223 0.000 . . . . . . . . . . 5899 1 694 . 1 1 65 65 ILE HA H 1 3.444 0.000 . . . . . . . . . . 5899 1 695 . 1 1 65 65 ILE CB C 13 37.994 0.000 . . . . . . . . . . 5899 1 696 . 1 1 65 65 ILE HB H 1 1.900 0.000 . . . . . . . . . . 5899 1 697 . 1 1 65 65 ILE HG21 H 1 0.839 0.000 . . . . . . . . . . 5899 1 698 . 1 1 65 65 ILE HG22 H 1 0.839 0.000 . . . . . . . . . . 5899 1 699 . 1 1 65 65 ILE HG23 H 1 0.839 0.000 . . . . . . . . . . 5899 1 700 . 1 1 65 65 ILE CG2 C 13 18.076 0.000 . . . . . . . . . . 5899 1 701 . 1 1 65 65 ILE CG1 C 13 29.311 0.000 . . . . . . . . . . 5899 1 702 . 1 1 65 65 ILE HG12 H 1 0.781 0.000 . . . . . . . . . . 5899 1 703 . 1 1 65 65 ILE HD11 H 1 0.674 0.000 . . . . . . . . . . 5899 1 704 . 1 1 65 65 ILE HD12 H 1 0.674 0.000 . . . . . . . . . . 5899 1 705 . 1 1 65 65 ILE HD13 H 1 0.674 0.000 . . . . . . . . . . 5899 1 706 . 1 1 65 65 ILE CD1 C 13 15.212 0.000 . . . . . . . . . . 5899 1 707 . 1 1 66 66 LEU N N 15 122.060 0.000 . . . . . . . . . . 5899 1 708 . 1 1 66 66 LEU H H 1 8.522 0.000 . . . . . . . . . . 5899 1 709 . 1 1 66 66 LEU CA C 13 58.919 0.000 . . . . . . . . . . 5899 1 710 . 1 1 66 66 LEU HA H 1 3.843 0.000 . . . . . . . . . . 5899 1 711 . 1 1 66 66 LEU CB C 13 41.677 0.000 . . . . . . . . . . 5899 1 712 . 1 1 66 66 LEU HB2 H 1 2.071 0.000 . . . . . . . . . . 5899 1 713 . 1 1 66 66 LEU CG C 13 27.443 0.000 . . . . . . . . . . 5899 1 714 . 1 1 66 66 LEU HG H 1 1.481 0.000 . . . . . . . . . . 5899 1 715 . 1 1 66 66 LEU HD11 H 1 0.665 0.000 . . . . . . . . . . 5899 1 716 . 1 1 66 66 LEU HD12 H 1 0.665 0.000 . . . . . . . . . . 5899 1 717 . 1 1 66 66 LEU HD13 H 1 0.665 0.000 . . . . . . . . . . 5899 1 718 . 1 1 66 66 LEU HD21 H 1 0.782 0.000 . . . . . . . . . . 5899 1 719 . 1 1 66 66 LEU HD22 H 1 0.782 0.000 . . . . . . . . . . 5899 1 720 . 1 1 66 66 LEU HD23 H 1 0.782 0.000 . . . . . . . . . . 5899 1 721 . 1 1 66 66 LEU CD1 C 13 15.214 0.000 . . . . . . . . . . 5899 1 722 . 1 1 66 66 LEU CD2 C 13 24.060 0.000 . . . . . . . . . . 5899 1 723 . 1 1 67 67 LYS N N 15 117.281 0.000 . . . . . . . . . . 5899 1 724 . 1 1 67 67 LYS H H 1 8.194 0.000 . . . . . . . . . . 5899 1 725 . 1 1 67 67 LYS CA C 13 60.508 0.000 . . . . . . . . . . 5899 1 726 . 1 1 67 67 LYS HA H 1 3.773 0.000 . . . . . . . . . . 5899 1 727 . 1 1 67 67 LYS CB C 13 32.878 0.000 . . . . . . . . . . 5899 1 728 . 1 1 67 67 LYS HB2 H 1 1.913 0.000 . . . . . . . . . . 5899 1 729 . 1 1 67 67 LYS HB3 H 1 1.830 0.000 . . . . . . . . . . 5899 1 730 . 1 1 67 67 LYS CG C 13 26.712 0.002 . . . . . . . . . . 5899 1 731 . 1 1 67 67 LYS HG2 H 1 1.707 0.000 . . . . . . . . . . 5899 1 732 . 1 1 67 67 LYS HG3 H 1 1.386 0.000 . . . . . . . . . . 5899 1 733 . 1 1 67 67 LYS CD C 13 29.940 0.000 . . . . . . . . . . 5899 1 734 . 1 1 67 67 LYS HD2 H 1 1.632 0.000 . . . . . . . . . . 5899 1 735 . 1 1 67 67 LYS CE C 13 42.017 0.000 . . . . . . . . . . 5899 1 736 . 1 1 67 67 LYS HE2 H 1 2.621 0.000 . . . . . . . . . . 5899 1 737 . 1 1 68 68 ARG N N 15 117.369 0.000 . . . . . . . . . . 5899 1 738 . 1 1 68 68 ARG H H 1 7.917 0.000 . . . . . . . . . . 5899 1 739 . 1 1 68 68 ARG CA C 13 59.016 0.000 . . . . . . . . . . 5899 1 740 . 1 1 68 68 ARG HA H 1 3.977 0.000 . . . . . . . . . . 5899 1 741 . 1 1 68 68 ARG CB C 13 30.302 0.000 . . . . . . . . . . 5899 1 742 . 1 1 68 68 ARG HB2 H 1 1.915 0.000 . . . . . . . . . . 5899 1 743 . 1 1 68 68 ARG CG C 13 28.568 0.000 . . . . . . . . . . 5899 1 744 . 1 1 68 68 ARG HG2 H 1 1.920 0.000 . . . . . . . . . . 5899 1 745 . 1 1 68 68 ARG HG3 H 1 1.677 0.000 . . . . . . . . . . 5899 1 746 . 1 1 68 68 ARG CD C 13 43.186 0.000 . . . . . . . . . . 5899 1 747 . 1 1 68 68 ARG HD2 H 1 3.068 0.000 . . . . . . . . . . 5899 1 748 . 1 1 69 69 MET N N 15 121.573 0.000 . . . . . . . . . . 5899 1 749 . 1 1 69 69 MET H H 1 9.232 0.000 . . . . . . . . . . 5899 1 750 . 1 1 69 69 MET CA C 13 60.912 0.000 . . . . . . . . . . 5899 1 751 . 1 1 69 69 MET HA H 1 3.757 0.000 . . . . . . . . . . 5899 1 752 . 1 1 69 69 MET CB C 13 32.831 0.000 . . . . . . . . . . 5899 1 753 . 1 1 69 69 MET HB2 H 1 2.297 0.000 . . . . . . . . . . 5899 1 754 . 1 1 69 69 MET HB3 H 1 1.865 0.000 . . . . . . . . . . 5899 1 755 . 1 1 69 69 MET CG C 13 34.510 0.002 . . . . . . . . . . 5899 1 756 . 1 1 69 69 MET HG2 H 1 2.012 0.000 . . . . . . . . . . 5899 1 757 . 1 1 69 69 MET HG3 H 1 3.050 0.000 . . . . . . . . . . 5899 1 758 . 1 1 69 69 MET HE1 H 1 1.770 0.000 . . . . . . . . . . 5899 1 759 . 1 1 69 69 MET HE2 H 1 1.770 0.000 . . . . . . . . . . 5899 1 760 . 1 1 69 69 MET HE3 H 1 1.770 0.000 . . . . . . . . . . 5899 1 761 . 1 1 69 69 MET CE C 13 17.813 0.000 . . . . . . . . . . 5899 1 762 . 1 1 70 70 LYS N N 15 116.493 0.000 . . . . . . . . . . 5899 1 763 . 1 1 70 70 LYS H H 1 7.805 0.000 . . . . . . . . . . 5899 1 764 . 1 1 70 70 LYS CA C 13 57.290 0.000 . . . . . . . . . . 5899 1 765 . 1 1 70 70 LYS HA H 1 4.098 0.000 . . . . . . . . . . 5899 1 766 . 1 1 70 70 LYS CB C 13 32.088 0.000 . . . . . . . . . . 5899 1 767 . 1 1 70 70 LYS HB2 H 1 1.859 0.000 . . . . . . . . . . 5899 1 768 . 1 1 70 70 LYS CG C 13 24.981 0.000 . . . . . . . . . . 5899 1 769 . 1 1 70 70 LYS HG2 H 1 1.642 0.000 . . . . . . . . . . 5899 1 770 . 1 1 70 70 LYS HG3 H 1 1.369 0.000 . . . . . . . . . . 5899 1 771 . 1 1 70 70 LYS CD C 13 29.504 0.000 . . . . . . . . . . 5899 1 772 . 1 1 70 70 LYS HD2 H 1 1.751 0.000 . . . . . . . . . . 5899 1 773 . 1 1 70 70 LYS CE C 13 41.894 0.000 . . . . . . . . . . 5899 1 774 . 1 1 70 70 LYS HE2 H 1 2.909 0.000 . . . . . . . . . . 5899 1 775 . 1 1 71 71 VAL N N 15 116.610 0.000 . . . . . . . . . . 5899 1 776 . 1 1 71 71 VAL H H 1 6.921 0.000 . . . . . . . . . . 5899 1 777 . 1 1 71 71 VAL CA C 13 65.086 0.000 . . . . . . . . . . 5899 1 778 . 1 1 71 71 VAL HA H 1 3.711 0.000 . . . . . . . . . . 5899 1 779 . 1 1 71 71 VAL CB C 13 31.977 0.000 . . . . . . . . . . 5899 1 780 . 1 1 71 71 VAL HB H 1 2.131 0.000 . . . . . . . . . . 5899 1 781 . 1 1 71 71 VAL HG11 H 1 0.918 0.000 . . . . . . . . . . 5899 1 782 . 1 1 71 71 VAL HG12 H 1 0.918 0.000 . . . . . . . . . . 5899 1 783 . 1 1 71 71 VAL HG13 H 1 0.918 0.000 . . . . . . . . . . 5899 1 784 . 1 1 71 71 VAL HG21 H 1 1.064 0.000 . . . . . . . . . . 5899 1 785 . 1 1 71 71 VAL HG22 H 1 1.064 0.000 . . . . . . . . . . 5899 1 786 . 1 1 71 71 VAL HG23 H 1 1.064 0.000 . . . . . . . . . . 5899 1 787 . 1 1 71 71 VAL CG1 C 13 21.368 0.000 . . . . . . . . . . 5899 1 788 . 1 1 71 71 VAL CG2 C 13 22.509 0.000 . . . . . . . . . . 5899 1 789 . 1 1 72 72 ILE N N 15 120.719 0.000 . . . . . . . . . . 5899 1 790 . 1 1 72 72 ILE H H 1 6.986 0.000 . . . . . . . . . . 5899 1 791 . 1 1 72 72 ILE CA C 13 64.281 0.000 . . . . . . . . . . 5899 1 792 . 1 1 72 72 ILE HA H 1 3.651 0.000 . . . . . . . . . . 5899 1 793 . 1 1 72 72 ILE CB C 13 38.677 0.000 . . . . . . . . . . 5899 1 794 . 1 1 72 72 ILE HB H 1 1.753 0.000 . . . . . . . . . . 5899 1 795 . 1 1 72 72 ILE HG21 H 1 0.817 0.000 . . . . . . . . . . 5899 1 796 . 1 1 72 72 ILE HG22 H 1 0.817 0.000 . . . . . . . . . . 5899 1 797 . 1 1 72 72 ILE HG23 H 1 0.817 0.000 . . . . . . . . . . 5899 1 798 . 1 1 72 72 ILE CG2 C 13 14.742 0.000 . . . . . . . . . . 5899 1 799 . 1 1 72 72 ILE CG1 C 13 28.243 0.002 . . . . . . . . . . 5899 1 800 . 1 1 72 72 ILE HG12 H 1 1.674 0.000 . . . . . . . . . . 5899 1 801 . 1 1 72 72 ILE HG13 H 1 0.990 0.000 . . . . . . . . . . 5899 1 802 . 1 1 72 72 ILE HD11 H 1 0.972 0.000 . . . . . . . . . . 5899 1 803 . 1 1 72 72 ILE HD12 H 1 0.972 0.000 . . . . . . . . . . 5899 1 804 . 1 1 72 72 ILE HD13 H 1 0.972 0.000 . . . . . . . . . . 5899 1 805 . 1 1 72 72 ILE CD1 C 13 18.181 0.000 . . . . . . . . . . 5899 1 806 . 1 1 73 73 ASP N N 15 117.106 0.000 . . . . . . . . . . 5899 1 807 . 1 1 73 73 ASP H H 1 8.188 0.000 . . . . . . . . . . 5899 1 808 . 1 1 73 73 ASP CA C 13 52.889 0.000 . . . . . . . . . . 5899 1 809 . 1 1 73 73 ASP HA H 1 4.596 0.000 . . . . . . . . . . 5899 1 810 . 1 1 73 73 ASP CB C 13 41.805 0.001 . . . . . . . . . . 5899 1 811 . 1 1 73 73 ASP HB2 H 1 2.600 0.000 . . . . . . . . . . 5899 1 812 . 1 1 73 73 ASP HB3 H 1 2.272 0.000 . . . . . . . . . . 5899 1 813 . 1 1 74 74 GLU N N 15 124.755 0.000 . . . . . . . . . . 5899 1 814 . 1 1 74 74 GLU H H 1 8.731 0.000 . . . . . . . . . . 5899 1 815 . 1 1 74 74 GLU CA C 13 58.420 0.000 . . . . . . . . . . 5899 1 816 . 1 1 74 74 GLU HA H 1 4.364 0.000 . . . . . . . . . . 5899 1 817 . 1 1 74 74 GLU CB C 13 29.908 0.000 . . . . . . . . . . 5899 1 818 . 1 1 74 74 GLU HB2 H 1 2.066 0.000 . . . . . . . . . . 5899 1 819 . 1 1 74 74 GLU CG C 13 35.343 0.000 . . . . . . . . . . 5899 1 820 . 1 1 74 74 GLU HG2 H 1 2.208 0.000 . . . . . . . . . . 5899 1 821 . 1 1 74 74 GLU HG3 H 1 2.310 0.000 . . . . . . . . . . 5899 1 822 . 1 1 75 75 ASN N N 15 116.230 0.000 . . . . . . . . . . 5899 1 823 . 1 1 75 75 ASN H H 1 8.288 0.000 . . . . . . . . . . 5899 1 824 . 1 1 75 75 ASN CA C 13 52.756 0.000 . . . . . . . . . . 5899 1 825 . 1 1 75 75 ASN HA H 1 4.836 0.000 . . . . . . . . . . 5899 1 826 . 1 1 75 75 ASN CB C 13 39.450 0.003 . . . . . . . . . . 5899 1 827 . 1 1 75 75 ASN HB2 H 1 2.737 0.000 . . . . . . . . . . 5899 1 828 . 1 1 75 75 ASN HB3 H 1 2.950 0.000 . . . . . . . . . . 5899 1 829 . 1 1 75 75 ASN ND2 N 15 115.265 0.000 . . . . . . . . . . 5899 1 830 . 1 1 75 75 ASN HD21 H 1 7.837 0.000 . . . . . . . . . . 5899 1 831 . 1 1 75 75 ASN HD22 H 1 7.032 0.000 . . . . . . . . . . 5899 1 832 . 1 1 76 76 ILE N N 15 123.178 0.000 . . . . . . . . . . 5899 1 833 . 1 1 76 76 ILE H H 1 7.310 0.000 . . . . . . . . . . 5899 1 834 . 1 1 76 76 ILE CA C 13 61.768 0.000 . . . . . . . . . . 5899 1 835 . 1 1 76 76 ILE HA H 1 3.939 0.000 . . . . . . . . . . 5899 1 836 . 1 1 76 76 ILE CB C 13 39.027 0.000 . . . . . . . . . . 5899 1 837 . 1 1 76 76 ILE HB H 1 1.858 0.000 . . . . . . . . . . 5899 1 838 . 1 1 76 76 ILE HG21 H 1 0.709 0.000 . . . . . . . . . . 5899 1 839 . 1 1 76 76 ILE HG22 H 1 0.709 0.000 . . . . . . . . . . 5899 1 840 . 1 1 76 76 ILE HG23 H 1 0.709 0.000 . . . . . . . . . . 5899 1 841 . 1 1 76 76 ILE CG2 C 13 16.587 0.000 . . . . . . . . . . 5899 1 842 . 1 1 76 76 ILE CG1 C 13 28.786 0.000 . . . . . . . . . . 5899 1 843 . 1 1 76 76 ILE HG12 H 1 1.413 0.000 . . . . . . . . . . 5899 1 844 . 1 1 76 76 ILE HG13 H 1 0.991 0.000 . . . . . . . . . . 5899 1 845 . 1 1 76 76 ILE HD11 H 1 0.820 0.000 . . . . . . . . . . 5899 1 846 . 1 1 76 76 ILE HD12 H 1 0.820 0.000 . . . . . . . . . . 5899 1 847 . 1 1 76 76 ILE HD13 H 1 0.820 0.000 . . . . . . . . . . 5899 1 848 . 1 1 76 76 ILE CD1 C 13 16.250 0.000 . . . . . . . . . . 5899 1 849 . 1 1 77 77 ARG N N 15 128.083 0.000 . . . . . . . . . . 5899 1 850 . 1 1 77 77 ARG H H 1 7.840 0.000 . . . . . . . . . . 5899 1 851 . 1 1 77 77 ARG CA C 13 55.290 0.000 . . . . . . . . . . 5899 1 852 . 1 1 77 77 ARG HA H 1 4.434 0.000 . . . . . . . . . . 5899 1 853 . 1 1 77 77 ARG CB C 13 31.465 0.000 . . . . . . . . . . 5899 1 854 . 1 1 77 77 ARG HB2 H 1 1.469 0.000 . . . . . . . . . . 5899 1 855 . 1 1 77 77 ARG HB3 H 1 2.184 0.000 . . . . . . . . . . 5899 1 856 . 1 1 77 77 ARG CG C 13 28.511 0.001 . . . . . . . . . . 5899 1 857 . 1 1 77 77 ARG HG2 H 1 1.933 0.000 . . . . . . . . . . 5899 1 858 . 1 1 77 77 ARG HG3 H 1 1.671 0.000 . . . . . . . . . . 5899 1 859 . 1 1 77 77 ARG CD C 13 43.901 0.000 . . . . . . . . . . 5899 1 860 . 1 1 77 77 ARG HD2 H 1 3.299 0.000 . . . . . . . . . . 5899 1 861 . 1 1 77 77 ARG HD3 H 1 3.227 0.000 . . . . . . . . . . 5899 1 862 . 1 1 78 78 VAL N N 15 122.857 0.000 . . . . . . . . . . 5899 1 863 . 1 1 78 78 VAL H H 1 8.678 0.000 . . . . . . . . . . 5899 1 864 . 1 1 78 78 VAL CA C 13 60.632 0.000 . . . . . . . . . . 5899 1 865 . 1 1 78 78 VAL HA H 1 4.922 0.000 . . . . . . . . . . 5899 1 866 . 1 1 78 78 VAL CB C 13 35.571 0.000 . . . . . . . . . . 5899 1 867 . 1 1 78 78 VAL HB H 1 1.690 0.000 . . . . . . . . . . 5899 1 868 . 1 1 78 78 VAL HG11 H 1 0.751 0.000 . . . . . . . . . . 5899 1 869 . 1 1 78 78 VAL HG12 H 1 0.751 0.000 . . . . . . . . . . 5899 1 870 . 1 1 78 78 VAL HG13 H 1 0.751 0.000 . . . . . . . . . . 5899 1 871 . 1 1 78 78 VAL HG21 H 1 0.708 0.000 . . . . . . . . . . 5899 1 872 . 1 1 78 78 VAL HG22 H 1 0.708 0.000 . . . . . . . . . . 5899 1 873 . 1 1 78 78 VAL HG23 H 1 0.708 0.000 . . . . . . . . . . 5899 1 874 . 1 1 78 78 VAL CG1 C 13 21.816 0.000 . . . . . . . . . . 5899 1 875 . 1 1 78 78 VAL CG2 C 13 21.816 0.000 . . . . . . . . . . 5899 1 876 . 1 1 79 79 ILE N N 15 127.616 0.000 . . . . . . . . . . 5899 1 877 . 1 1 79 79 ILE H H 1 9.102 0.000 . . . . . . . . . . 5899 1 878 . 1 1 79 79 ILE CA C 13 60.758 0.000 . . . . . . . . . . 5899 1 879 . 1 1 79 79 ILE HA H 1 4.124 0.000 . . . . . . . . . . 5899 1 880 . 1 1 79 79 ILE CB C 13 40.866 0.000 . . . . . . . . . . 5899 1 881 . 1 1 79 79 ILE HB H 1 1.489 0.000 . . . . . . . . . . 5899 1 882 . 1 1 79 79 ILE HG21 H 1 0.472 0.002 . . . . . . . . . . 5899 1 883 . 1 1 79 79 ILE HG22 H 1 0.472 0.002 . . . . . . . . . . 5899 1 884 . 1 1 79 79 ILE HG23 H 1 0.472 0.002 . . . . . . . . . . 5899 1 885 . 1 1 79 79 ILE CG2 C 13 16.561 0.000 . . . . . . . . . . 5899 1 886 . 1 1 79 79 ILE CG1 C 13 28.217 0.000 . . . . . . . . . . 5899 1 887 . 1 1 79 79 ILE HG12 H 1 1.443 0.000 . . . . . . . . . . 5899 1 888 . 1 1 79 79 ILE HG13 H 1 0.593 0.000 . . . . . . . . . . 5899 1 889 . 1 1 79 79 ILE HD11 H 1 0.599 0.002 . . . . . . . . . . 5899 1 890 . 1 1 79 79 ILE HD12 H 1 0.599 0.002 . . . . . . . . . . 5899 1 891 . 1 1 79 79 ILE HD13 H 1 0.599 0.002 . . . . . . . . . . 5899 1 892 . 1 1 79 79 ILE CD1 C 13 13.987 0.000 . . . . . . . . . . 5899 1 893 . 1 1 80 80 ILE N N 15 123.295 0.000 . . . . . . . . . . 5899 1 894 . 1 1 80 80 ILE H H 1 7.764 0.000 . . . . . . . . . . 5899 1 895 . 1 1 80 80 ILE CA C 13 58.239 0.000 . . . . . . . . . . 5899 1 896 . 1 1 80 80 ILE HA H 1 5.285 0.000 . . . . . . . . . . 5899 1 897 . 1 1 80 80 ILE CB C 13 38.881 0.000 . . . . . . . . . . 5899 1 898 . 1 1 80 80 ILE HB H 1 2.010 0.000 . . . . . . . . . . 5899 1 899 . 1 1 80 80 ILE HG21 H 1 0.923 0.000 . . . . . . . . . . 5899 1 900 . 1 1 80 80 ILE HG22 H 1 0.923 0.000 . . . . . . . . . . 5899 1 901 . 1 1 80 80 ILE HG23 H 1 0.923 0.000 . . . . . . . . . . 5899 1 902 . 1 1 80 80 ILE CG2 C 13 19.001 0.000 . . . . . . . . . . 5899 1 903 . 1 1 80 80 ILE CG1 C 13 26.675 0.001 . . . . . . . . . . 5899 1 904 . 1 1 80 80 ILE HG12 H 1 1.518 0.000 . . . . . . . . . . 5899 1 905 . 1 1 80 80 ILE HG13 H 1 1.306 0.000 . . . . . . . . . . 5899 1 906 . 1 1 80 80 ILE HD11 H 1 0.780 0.000 . . . . . . . . . . 5899 1 907 . 1 1 80 80 ILE HD12 H 1 0.780 0.000 . . . . . . . . . . 5899 1 908 . 1 1 80 80 ILE HD13 H 1 0.780 0.000 . . . . . . . . . . 5899 1 909 . 1 1 80 80 ILE CD1 C 13 13.000 0.000 . . . . . . . . . . 5899 1 910 . 1 1 81 81 MET N N 15 121.543 0.000 . . . . . . . . . . 5899 1 911 . 1 1 81 81 MET H H 1 8.772 0.000 . . . . . . . . . . 5899 1 912 . 1 1 81 81 MET CA C 13 53.157 0.000 . . . . . . . . . . 5899 1 913 . 1 1 81 81 MET HA H 1 5.943 0.000 . . . . . . . . . . 5899 1 914 . 1 1 81 81 MET CB C 13 35.760 0.000 . . . . . . . . . . 5899 1 915 . 1 1 81 81 MET HB2 H 1 1.961 0.000 . . . . . . . . . . 5899 1 916 . 1 1 81 81 MET HB3 H 1 1.863 0.000 . . . . . . . . . . 5899 1 917 . 1 1 81 81 MET CG C 13 31.441 0.000 . . . . . . . . . . 5899 1 918 . 1 1 81 81 MET HG2 H 1 2.556 0.000 . . . . . . . . . . 5899 1 919 . 1 1 81 81 MET HG3 H 1 2.417 0.000 . . . . . . . . . . 5899 1 920 . 1 1 81 81 MET HE1 H 1 2.063 0.000 . . . . . . . . . . 5899 1 921 . 1 1 81 81 MET HE2 H 1 2.063 0.000 . . . . . . . . . . 5899 1 922 . 1 1 81 81 MET HE3 H 1 2.063 0.000 . . . . . . . . . . 5899 1 923 . 1 1 81 81 MET CE C 13 17.102 0.000 . . . . . . . . . . 5899 1 924 . 1 1 82 82 THR N N 15 109.661 0.000 . . . . . . . . . . 5899 1 925 . 1 1 82 82 THR H H 1 8.005 0.000 . . . . . . . . . . 5899 1 926 . 1 1 82 82 THR CA C 13 60.527 0.000 . . . . . . . . . . 5899 1 927 . 1 1 82 82 THR HA H 1 5.328 0.000 . . . . . . . . . . 5899 1 928 . 1 1 82 82 THR CB C 13 69.123 0.000 . . . . . . . . . . 5899 1 929 . 1 1 82 82 THR HB H 1 4.529 0.000 . . . . . . . . . . 5899 1 930 . 1 1 82 82 THR HG21 H 1 1.108 0.000 . . . . . . . . . . 5899 1 931 . 1 1 82 82 THR HG22 H 1 1.108 0.000 . . . . . . . . . . 5899 1 932 . 1 1 82 82 THR HG23 H 1 1.108 0.000 . . . . . . . . . . 5899 1 933 . 1 1 82 82 THR CG2 C 13 17.933 0.000 . . . . . . . . . . 5899 1 934 . 1 1 83 83 ALA N N 15 129.697 0.000 . . . . . . . . . . 5899 1 935 . 1 1 83 83 ALA H H 1 8.653 0.000 . . . . . . . . . . 5899 1 936 . 1 1 83 83 ALA CA C 13 52.320 0.000 . . . . . . . . . . 5899 1 937 . 1 1 83 83 ALA HA H 1 4.624 0.000 . . . . . . . . . . 5899 1 938 . 1 1 83 83 ALA HB1 H 1 1.179 0.000 . . . . . . . . . . 5899 1 939 . 1 1 83 83 ALA HB2 H 1 1.179 0.000 . . . . . . . . . . 5899 1 940 . 1 1 83 83 ALA HB3 H 1 1.179 0.000 . . . . . . . . . . 5899 1 941 . 1 1 83 83 ALA CB C 13 19.387 0.000 . . . . . . . . . . 5899 1 942 . 1 1 84 84 TYR N N 15 120.463 0.000 . . . . . . . . . . 5899 1 943 . 1 1 84 84 TYR H H 1 8.707 0.000 . . . . . . . . . . 5899 1 944 . 1 1 84 84 TYR CA C 13 58.353 0.000 . . . . . . . . . . 5899 1 945 . 1 1 84 84 TYR HA H 1 4.543 0.000 . . . . . . . . . . 5899 1 946 . 1 1 84 84 TYR CB C 13 38.846 0.003 . . . . . . . . . . 5899 1 947 . 1 1 84 84 TYR HB2 H 1 3.240 0.000 . . . . . . . . . . 5899 1 948 . 1 1 84 84 TYR HB3 H 1 2.872 0.000 . . . . . . . . . . 5899 1 949 . 1 1 84 84 TYR HD1 H 1 7.214 0.000 . . . . . . . . . . 5899 1 950 . 1 1 84 84 TYR HE1 H 1 6.970 0.001 . . . . . . . . . . 5899 1 951 . 1 1 84 84 TYR CD1 C 13 135.952 0.009 . . . . . . . . . . 5899 1 952 . 1 1 84 84 TYR CE1 C 13 120.801 0.003 . . . . . . . . . . 5899 1 953 . 1 1 85 85 GLY N N 15 109.515 0.000 . . . . . . . . . . 5899 1 954 . 1 1 85 85 GLY H H 1 8.365 0.000 . . . . . . . . . . 5899 1 955 . 1 1 85 85 GLY CA C 13 46.420 0.000 . . . . . . . . . . 5899 1 956 . 1 1 85 85 GLY HA2 H 1 3.800 0.000 . . . . . . . . . . 5899 1 957 . 1 1 85 85 GLY HA3 H 1 3.740 0.000 . . . . . . . . . . 5899 1 958 . 1 1 86 86 GLU N N 15 121.777 0.000 . . . . . . . . . . 5899 1 959 . 1 1 86 86 GLU H H 1 7.858 0.000 . . . . . . . . . . 5899 1 960 . 1 1 86 86 GLU CA C 13 55.575 0.000 . . . . . . . . . . 5899 1 961 . 1 1 86 86 GLU HA H 1 4.433 0.000 . . . . . . . . . . 5899 1 962 . 1 1 86 86 GLU CB C 13 29.402 0.000 . . . . . . . . . . 5899 1 963 . 1 1 86 86 GLU HB2 H 1 2.195 0.000 . . . . . . . . . . 5899 1 964 . 1 1 86 86 GLU CG C 13 35.738 0.000 . . . . . . . . . . 5899 1 965 . 1 1 86 86 GLU HG2 H 1 1.950 0.000 . . . . . . . . . . 5899 1 966 . 1 1 86 86 GLU HG3 H 1 2.215 0.000 . . . . . . . . . . 5899 1 967 . 1 1 87 87 LEU N N 15 123.208 0.000 . . . . . . . . . . 5899 1 968 . 1 1 87 87 LEU H H 1 8.229 0.000 . . . . . . . . . . 5899 1 969 . 1 1 87 87 LEU CA C 13 57.681 0.000 . . . . . . . . . . 5899 1 970 . 1 1 87 87 LEU HA H 1 3.963 0.000 . . . . . . . . . . 5899 1 971 . 1 1 87 87 LEU CB C 13 41.953 0.000 . . . . . . . . . . 5899 1 972 . 1 1 87 87 LEU HB2 H 1 1.578 0.000 . . . . . . . . . . 5899 1 973 . 1 1 87 87 LEU HB3 H 1 1.720 0.000 . . . . . . . . . . 5899 1 974 . 1 1 87 87 LEU CG C 13 27.011 0.000 . . . . . . . . . . 5899 1 975 . 1 1 87 87 LEU HG H 1 1.699 0.000 . . . . . . . . . . 5899 1 976 . 1 1 87 87 LEU HD11 H 1 0.932 0.000 . . . . . . . . . . 5899 1 977 . 1 1 87 87 LEU HD12 H 1 0.932 0.000 . . . . . . . . . . 5899 1 978 . 1 1 87 87 LEU HD13 H 1 0.932 0.000 . . . . . . . . . . 5899 1 979 . 1 1 87 87 LEU HD21 H 1 0.745 0.000 . . . . . . . . . . 5899 1 980 . 1 1 87 87 LEU HD22 H 1 0.745 0.000 . . . . . . . . . . 5899 1 981 . 1 1 87 87 LEU HD23 H 1 0.745 0.000 . . . . . . . . . . 5899 1 982 . 1 1 87 87 LEU CD1 C 13 24.980 0.000 . . . . . . . . . . 5899 1 983 . 1 1 87 87 LEU CD2 C 13 23.235 0.000 . . . . . . . . . . 5899 1 984 . 1 1 88 88 ASP N N 15 119.354 0.000 . . . . . . . . . . 5899 1 985 . 1 1 88 88 ASP H H 1 8.748 0.000 . . . . . . . . . . 5899 1 986 . 1 1 88 88 ASP CA C 13 57.095 0.000 . . . . . . . . . . 5899 1 987 . 1 1 88 88 ASP HA H 1 4.361 0.000 . . . . . . . . . . 5899 1 988 . 1 1 88 88 ASP CB C 13 39.543 0.000 . . . . . . . . . . 5899 1 989 . 1 1 88 88 ASP HB2 H 1 2.649 0.000 . . . . . . . . . . 5899 1 990 . 1 1 89 89 MET N N 15 119.675 0.000 . . . . . . . . . . 5899 1 991 . 1 1 89 89 MET H H 1 7.787 0.000 . . . . . . . . . . 5899 1 992 . 1 1 89 89 MET CA C 13 58.378 0.000 . . . . . . . . . . 5899 1 993 . 1 1 89 89 MET HA H 1 4.284 0.000 . . . . . . . . . . 5899 1 994 . 1 1 89 89 MET CB C 13 32.650 0.000 . . . . . . . . . . 5899 1 995 . 1 1 89 89 MET HB2 H 1 2.195 0.000 . . . . . . . . . . 5899 1 996 . 1 1 89 89 MET HB3 H 1 2.018 0.000 . . . . . . . . . . 5899 1 997 . 1 1 89 89 MET CG C 13 32.337 0.002 . . . . . . . . . . 5899 1 998 . 1 1 89 89 MET HG2 H 1 2.715 0.000 . . . . . . . . . . 5899 1 999 . 1 1 89 89 MET HG3 H 1 2.431 0.000 . . . . . . . . . . 5899 1 1000 . 1 1 89 89 MET HE1 H 1 1.935 0.000 . . . . . . . . . . 5899 1 1001 . 1 1 89 89 MET HE2 H 1 1.935 0.000 . . . . . . . . . . 5899 1 1002 . 1 1 89 89 MET HE3 H 1 1.935 0.000 . . . . . . . . . . 5899 1 1003 . 1 1 89 89 MET CE C 13 18.596 0.000 . . . . . . . . . . 5899 1 1004 . 1 1 90 90 ILE N N 15 120.960 0.000 . . . . . . . . . . 5899 1 1005 . 1 1 90 90 ILE H H 1 7.888 0.000 . . . . . . . . . . 5899 1 1006 . 1 1 90 90 ILE CA C 13 64.549 0.000 . . . . . . . . . . 5899 1 1007 . 1 1 90 90 ILE HA H 1 3.378 0.000 . . . . . . . . . . 5899 1 1008 . 1 1 90 90 ILE CB C 13 37.047 0.000 . . . . . . . . . . 5899 1 1009 . 1 1 90 90 ILE HB H 1 1.739 0.000 . . . . . . . . . . 5899 1 1010 . 1 1 90 90 ILE HG21 H 1 0.419 0.000 . . . . . . . . . . 5899 1 1011 . 1 1 90 90 ILE HG22 H 1 0.419 0.000 . . . . . . . . . . 5899 1 1012 . 1 1 90 90 ILE HG23 H 1 0.419 0.000 . . . . . . . . . . 5899 1 1013 . 1 1 90 90 ILE CG2 C 13 12.099 0.000 . . . . . . . . . . 5899 1 1014 . 1 1 90 90 ILE CG1 C 13 28.707 0.001 . . . . . . . . . . 5899 1 1015 . 1 1 90 90 ILE HG12 H 1 1.331 0.000 . . . . . . . . . . 5899 1 1016 . 1 1 90 90 ILE HG13 H 1 0.682 0.000 . . . . . . . . . . 5899 1 1017 . 1 1 90 90 ILE HD11 H 1 0.381 0.000 . . . . . . . . . . 5899 1 1018 . 1 1 90 90 ILE HD12 H 1 0.381 0.000 . . . . . . . . . . 5899 1 1019 . 1 1 90 90 ILE HD13 H 1 0.381 0.000 . . . . . . . . . . 5899 1 1020 . 1 1 90 90 ILE CD1 C 13 16.574 0.000 . . . . . . . . . . 5899 1 1021 . 1 1 91 91 GLN N N 15 120.843 0.000 . . . . . . . . . . 5899 1 1022 . 1 1 91 91 GLN H H 1 8.277 0.000 . . . . . . . . . . 5899 1 1023 . 1 1 91 91 GLN CA C 13 59.101 0.000 . . . . . . . . . . 5899 1 1024 . 1 1 91 91 GLN HA H 1 3.985 0.000 . . . . . . . . . . 5899 1 1025 . 1 1 91 91 GLN CB C 13 27.718 0.000 . . . . . . . . . . 5899 1 1026 . 1 1 91 91 GLN HB2 H 1 2.180 0.000 . . . . . . . . . . 5899 1 1027 . 1 1 91 91 GLN HB3 H 1 2.076 0.000 . . . . . . . . . . 5899 1 1028 . 1 1 91 91 GLN CG C 13 33.369 0.000 . . . . . . . . . . 5899 1 1029 . 1 1 91 91 GLN HG2 H 1 2.382 0.000 . . . . . . . . . . 5899 1 1030 . 1 1 91 91 GLN NE2 N 15 112.354 0.005 . . . . . . . . . . 5899 1 1031 . 1 1 91 91 GLN HE21 H 1 7.693 0.000 . . . . . . . . . . 5899 1 1032 . 1 1 91 91 GLN HE22 H 1 6.812 0.000 . . . . . . . . . . 5899 1 1033 . 1 1 92 92 GLU N N 15 120.376 0.000 . . . . . . . . . . 5899 1 1034 . 1 1 92 92 GLU H H 1 8.218 0.000 . . . . . . . . . . 5899 1 1035 . 1 1 92 92 GLU CA C 13 59.574 0.000 . . . . . . . . . . 5899 1 1036 . 1 1 92 92 GLU HA H 1 4.031 0.000 . . . . . . . . . . 5899 1 1037 . 1 1 92 92 GLU CB C 13 29.390 0.000 . . . . . . . . . . 5899 1 1038 . 1 1 92 92 GLU HB2 H 1 1.977 0.000 . . . . . . . . . . 5899 1 1039 . 1 1 92 92 GLU HB3 H 1 1.710 0.000 . . . . . . . . . . 5899 1 1040 . 1 1 92 92 GLU CG C 13 36.094 0.000 . . . . . . . . . . 5899 1 1041 . 1 1 92 92 GLU HG2 H 1 2.319 0.000 . . . . . . . . . . 5899 1 1042 . 1 1 93 93 SER N N 15 114.128 0.000 . . . . . . . . . . 5899 1 1043 . 1 1 93 93 SER H H 1 8.100 0.000 . . . . . . . . . . 5899 1 1044 . 1 1 93 93 SER CA C 13 62.498 0.000 . . . . . . . . . . 5899 1 1045 . 1 1 93 93 SER HA H 1 3.903 0.000 . . . . . . . . . . 5899 1 1046 . 1 1 93 93 SER CB C 13 62.179 0.000 . . . . . . . . . . 5899 1 1047 . 1 1 93 93 SER HB2 H 1 3.866 0.000 . . . . . . . . . . 5899 1 1048 . 1 1 93 93 SER HB3 H 1 3.724 0.000 . . . . . . . . . . 5899 1 1049 . 1 1 94 94 LYS N N 15 124.492 0.000 . . . . . . . . . . 5899 1 1050 . 1 1 94 94 LYS H H 1 7.705 0.000 . . . . . . . . . . 5899 1 1051 . 1 1 94 94 LYS CA C 13 59.505 0.000 . . . . . . . . . . 5899 1 1052 . 1 1 94 94 LYS HA H 1 4.169 0.000 . . . . . . . . . . 5899 1 1053 . 1 1 94 94 LYS CB C 13 31.681 0.000 . . . . . . . . . . 5899 1 1054 . 1 1 94 94 LYS HB2 H 1 2.004 0.000 . . . . . . . . . . 5899 1 1055 . 1 1 94 94 LYS HB3 H 1 1.961 0.000 . . . . . . . . . . 5899 1 1056 . 1 1 94 94 LYS CG C 13 24.930 0.000 . . . . . . . . . . 5899 1 1057 . 1 1 94 94 LYS HG2 H 1 1.554 0.000 . . . . . . . . . . 5899 1 1058 . 1 1 94 94 LYS HG3 H 1 1.373 0.000 . . . . . . . . . . 5899 1 1059 . 1 1 94 94 LYS CE C 13 41.666 0.000 . . . . . . . . . . 5899 1 1060 . 1 1 94 94 LYS HE2 H 1 2.914 0.000 . . . . . . . . . . 5899 1 1061 . 1 1 95 95 GLU N N 15 121.400 0.000 . . . . . . . . . . 5899 1 1062 . 1 1 95 95 GLU H H 1 8.041 0.000 . . . . . . . . . . 5899 1 1063 . 1 1 95 95 GLU CA C 13 59.059 0.000 . . . . . . . . . . 5899 1 1064 . 1 1 95 95 GLU HA H 1 4.077 0.000 . . . . . . . . . . 5899 1 1065 . 1 1 95 95 GLU CB C 13 29.330 0.000 . . . . . . . . . . 5899 1 1066 . 1 1 95 95 GLU HB2 H 1 2.099 0.000 . . . . . . . . . . 5899 1 1067 . 1 1 95 95 GLU CG C 13 36.280 0.001 . . . . . . . . . . 5899 1 1068 . 1 1 95 95 GLU HG2 H 1 2.438 0.000 . . . . . . . . . . 5899 1 1069 . 1 1 95 95 GLU HG3 H 1 2.280 0.000 . . . . . . . . . . 5899 1 1070 . 1 1 96 96 LEU N N 15 117.515 0.000 . . . . . . . . . . 5899 1 1071 . 1 1 96 96 LEU H H 1 7.575 0.000 . . . . . . . . . . 5899 1 1072 . 1 1 96 96 LEU CA C 13 55.101 0.000 . . . . . . . . . . 5899 1 1073 . 1 1 96 96 LEU HA H 1 4.265 0.000 . . . . . . . . . . 5899 1 1074 . 1 1 96 96 LEU CB C 13 43.080 0.000 . . . . . . . . . . 5899 1 1075 . 1 1 96 96 LEU HB2 H 1 1.861 0.000 . . . . . . . . . . 5899 1 1076 . 1 1 96 96 LEU HB3 H 1 1.534 0.000 . . . . . . . . . . 5899 1 1077 . 1 1 96 96 LEU CG C 13 26.830 0.000 . . . . . . . . . . 5899 1 1078 . 1 1 96 96 LEU HG H 1 1.844 0.000 . . . . . . . . . . 5899 1 1079 . 1 1 96 96 LEU HD11 H 1 0.844 0.000 . . . . . . . . . . 5899 1 1080 . 1 1 96 96 LEU HD12 H 1 0.844 0.000 . . . . . . . . . . 5899 1 1081 . 1 1 96 96 LEU HD13 H 1 0.844 0.000 . . . . . . . . . . 5899 1 1082 . 1 1 96 96 LEU HD21 H 1 0.871 0.000 . . . . . . . . . . 5899 1 1083 . 1 1 96 96 LEU HD22 H 1 0.871 0.000 . . . . . . . . . . 5899 1 1084 . 1 1 96 96 LEU HD23 H 1 0.871 0.000 . . . . . . . . . . 5899 1 1085 . 1 1 96 96 LEU CD1 C 13 26.975 0.000 . . . . . . . . . . 5899 1 1086 . 1 1 96 96 LEU CD2 C 13 22.936 0.000 . . . . . . . . . . 5899 1 1087 . 1 1 97 97 GLY N N 15 104.611 0.000 . . . . . . . . . . 5899 1 1088 . 1 1 97 97 GLY H H 1 7.610 0.000 . . . . . . . . . . 5899 1 1089 . 1 1 97 97 GLY CA C 13 45.124 0.000 . . . . . . . . . . 5899 1 1090 . 1 1 97 97 GLY HA2 H 1 4.393 0.000 . . . . . . . . . . 5899 1 1091 . 1 1 97 97 GLY HA3 H 1 3.701 0.000 . . . . . . . . . . 5899 1 1092 . 1 1 98 98 ALA N N 15 123.996 0.000 . . . . . . . . . . 5899 1 1093 . 1 1 98 98 ALA H H 1 8.353 0.000 . . . . . . . . . . 5899 1 1094 . 1 1 98 98 ALA CA C 13 53.000 0.000 . . . . . . . . . . 5899 1 1095 . 1 1 98 98 ALA HA H 1 4.266 0.000 . . . . . . . . . . 5899 1 1096 . 1 1 98 98 ALA HB1 H 1 1.078 0.000 . . . . . . . . . . 5899 1 1097 . 1 1 98 98 ALA HB2 H 1 1.078 0.000 . . . . . . . . . . 5899 1 1098 . 1 1 98 98 ALA HB3 H 1 1.078 0.000 . . . . . . . . . . 5899 1 1099 . 1 1 98 98 ALA CB C 13 18.487 0.000 . . . . . . . . . . 5899 1 1100 . 1 1 99 99 LEU N N 15 121.865 0.000 . . . . . . . . . . 5899 1 1101 . 1 1 99 99 LEU H H 1 8.972 0.000 . . . . . . . . . . 5899 1 1102 . 1 1 99 99 LEU CA C 13 57.705 0.000 . . . . . . . . . . 5899 1 1103 . 1 1 99 99 LEU HA H 1 3.902 0.000 . . . . . . . . . . 5899 1 1104 . 1 1 99 99 LEU CB C 13 43.139 0.000 . . . . . . . . . . 5899 1 1105 . 1 1 99 99 LEU HB2 H 1 1.157 0.000 . . . . . . . . . . 5899 1 1106 . 1 1 99 99 LEU HB3 H 1 0.942 0.000 . . . . . . . . . . 5899 1 1107 . 1 1 99 99 LEU CG C 13 26.533 0.000 . . . . . . . . . . 5899 1 1108 . 1 1 99 99 LEU HG H 1 1.669 0.000 . . . . . . . . . . 5899 1 1109 . 1 1 99 99 LEU HD11 H 1 0.415 0.000 . . . . . . . . . . 5899 1 1110 . 1 1 99 99 LEU HD12 H 1 0.415 0.000 . . . . . . . . . . 5899 1 1111 . 1 1 99 99 LEU HD13 H 1 0.415 0.000 . . . . . . . . . . 5899 1 1112 . 1 1 99 99 LEU HD21 H 1 0.711 0.000 . . . . . . . . . . 5899 1 1113 . 1 1 99 99 LEU HD22 H 1 0.711 0.000 . . . . . . . . . . 5899 1 1114 . 1 1 99 99 LEU HD23 H 1 0.711 0.000 . . . . . . . . . . 5899 1 1115 . 1 1 99 99 LEU CD1 C 13 24.758 0.000 . . . . . . . . . . 5899 1 1116 . 1 1 99 99 LEU CD2 C 13 22.386 0.000 . . . . . . . . . . 5899 1 1117 . 1 1 100 100 THR N N 15 105.457 0.000 . . . . . . . . . . 5899 1 1118 . 1 1 100 100 THR H H 1 7.156 0.000 . . . . . . . . . . 5899 1 1119 . 1 1 100 100 THR CA C 13 59.519 0.000 . . . . . . . . . . 5899 1 1120 . 1 1 100 100 THR HA H 1 4.337 0.000 . . . . . . . . . . 5899 1 1121 . 1 1 100 100 THR CB C 13 66.953 0.000 . . . . . . . . . . 5899 1 1122 . 1 1 100 100 THR HB H 1 4.506 0.000 . . . . . . . . . . 5899 1 1123 . 1 1 100 100 THR HG21 H 1 0.848 0.000 . . . . . . . . . . 5899 1 1124 . 1 1 100 100 THR HG22 H 1 0.848 0.000 . . . . . . . . . . 5899 1 1125 . 1 1 100 100 THR HG23 H 1 0.848 0.000 . . . . . . . . . . 5899 1 1126 . 1 1 100 100 THR CG2 C 13 19.305 0.000 . . . . . . . . . . 5899 1 1127 . 1 1 101 101 HIS N N 15 120.492 0.000 . . . . . . . . . . 5899 1 1128 . 1 1 101 101 HIS H H 1 8.123 0.000 . . . . . . . . . . 5899 1 1129 . 1 1 101 101 HIS CA C 13 53.929 0.000 . . . . . . . . . . 5899 1 1130 . 1 1 101 101 HIS HA H 1 5.698 0.000 . . . . . . . . . . 5899 1 1131 . 1 1 101 101 HIS CB C 13 34.029 0.000 . . . . . . . . . . 5899 1 1132 . 1 1 101 101 HIS HB2 H 1 2.748 0.009 . . . . . . . . . . 5899 1 1133 . 1 1 101 101 HIS CD2 C 13 120.805 0.011 . . . . . . . . . . 5899 1 1134 . 1 1 101 101 HIS CE1 C 13 140.612 0.000 . . . . . . . . . . 5899 1 1135 . 1 1 101 101 HIS HD2 H 1 6.498 0.005 . . . . . . . . . . 5899 1 1136 . 1 1 101 101 HIS HE1 H 1 7.576 0.013 . . . . . . . . . . 5899 1 1137 . 1 1 102 102 PHE N N 15 120.843 0.000 . . . . . . . . . . 5899 1 1138 . 1 1 102 102 PHE H H 1 8.943 0.000 . . . . . . . . . . 5899 1 1139 . 1 1 102 102 PHE CA C 13 55.703 0.000 . . . . . . . . . . 5899 1 1140 . 1 1 102 102 PHE HA H 1 4.713 0.008 . . . . . . . . . . 5899 1 1141 . 1 1 102 102 PHE CB C 13 42.109 0.000 . . . . . . . . . . 5899 1 1142 . 1 1 102 102 PHE HB2 H 1 2.999 0.007 . . . . . . . . . . 5899 1 1143 . 1 1 102 102 PHE HB3 H 1 2.600 0.005 . . . . . . . . . . 5899 1 1144 . 1 1 102 102 PHE HD1 H 1 7.044 0.008 . . . . . . . . . . 5899 1 1145 . 1 1 102 102 PHE HE1 H 1 7.052 0.000 . . . . . . . . . . 5899 1 1146 . 1 1 102 102 PHE CD1 C 13 133.614 0.288 . . . . . . . . . . 5899 1 1147 . 1 1 102 102 PHE CE1 C 13 133.430 0.000 . . . . . . . . . . 5899 1 1148 . 1 1 103 103 ALA N N 15 125.280 0.000 . . . . . . . . . . 5899 1 1149 . 1 1 103 103 ALA H H 1 8.507 0.000 . . . . . . . . . . 5899 1 1150 . 1 1 103 103 ALA CA C 13 50.731 0.000 . . . . . . . . . . 5899 1 1151 . 1 1 103 103 ALA HA H 1 4.982 0.000 . . . . . . . . . . 5899 1 1152 . 1 1 103 103 ALA HB1 H 1 1.388 0.000 . . . . . . . . . . 5899 1 1153 . 1 1 103 103 ALA HB2 H 1 1.388 0.000 . . . . . . . . . . 5899 1 1154 . 1 1 103 103 ALA HB3 H 1 1.388 0.000 . . . . . . . . . . 5899 1 1155 . 1 1 103 103 ALA CB C 13 19.521 0.000 . . . . . . . . . . 5899 1 1156 . 1 1 104 104 LYS N N 15 119.295 0.000 . . . . . . . . . . 5899 1 1157 . 1 1 104 104 LYS H H 1 7.640 0.000 . . . . . . . . . . 5899 1 1158 . 1 1 104 104 LYS CA C 13 50.375 0.000 . . . . . . . . . . 5899 1 1159 . 1 1 104 104 LYS HA H 1 4.980 0.000 . . . . . . . . . . 5899 1 1160 . 1 1 105 105 PRO CD C 13 50.355 0.007 . . . . . . . . . . 5899 1 1161 . 1 1 105 105 PRO CA C 13 61.928 0.000 . . . . . . . . . . 5899 1 1162 . 1 1 105 105 PRO HA H 1 4.231 0.007 . . . . . . . . . . 5899 1 1163 . 1 1 105 105 PRO CB C 13 34.004 0.003 . . . . . . . . . . 5899 1 1164 . 1 1 105 105 PRO HB2 H 1 2.213 0.000 . . . . . . . . . . 5899 1 1165 . 1 1 105 105 PRO HB3 H 1 1.964 0.000 . . . . . . . . . . 5899 1 1166 . 1 1 105 105 PRO CG C 13 24.977 0.000 . . . . . . . . . . 5899 1 1167 . 1 1 105 105 PRO HG2 H 1 1.959 0.000 . . . . . . . . . . 5899 1 1168 . 1 1 105 105 PRO HG3 H 1 1.874 0.000 . . . . . . . . . . 5899 1 1169 . 1 1 105 105 PRO HD2 H 1 3.417 0.000 . . . . . . . . . . 5899 1 1170 . 1 1 105 105 PRO HD3 H 1 3.611 0.000 . . . . . . . . . . 5899 1 1171 . 1 1 106 106 PHE N N 15 119.091 0.000 . . . . . . . . . . 5899 1 1172 . 1 1 106 106 PHE H H 1 7.551 0.000 . . . . . . . . . . 5899 1 1173 . 1 1 106 106 PHE CA C 13 54.079 0.000 . . . . . . . . . . 5899 1 1174 . 1 1 106 106 PHE HA H 1 5.056 0.011 . . . . . . . . . . 5899 1 1175 . 1 1 106 106 PHE CB C 13 40.192 0.000 . . . . . . . . . . 5899 1 1176 . 1 1 106 106 PHE HB2 H 1 3.050 0.004 . . . . . . . . . . 5899 1 1177 . 1 1 106 106 PHE HB3 H 1 3.154 0.010 . . . . . . . . . . 5899 1 1178 . 1 1 106 106 PHE HD1 H 1 6.970 0.001 . . . . . . . . . . 5899 1 1179 . 1 1 106 106 PHE HE1 H 1 7.161 0.001 . . . . . . . . . . 5899 1 1180 . 1 1 106 106 PHE CD1 C 13 135.172 0.006 . . . . . . . . . . 5899 1 1181 . 1 1 106 106 PHE CE1 C 13 133.607 0.029 . . . . . . . . . . 5899 1 1182 . 1 1 107 107 ASP N N 15 122.711 0.000 . . . . . . . . . . 5899 1 1183 . 1 1 107 107 ASP H H 1 9.215 0.001 . . . . . . . . . . 5899 1 1184 . 1 1 107 107 ASP CA C 13 53.122 0.000 . . . . . . . . . . 5899 1 1185 . 1 1 107 107 ASP HA H 1 4.860 0.000 . . . . . . . . . . 5899 1 1186 . 1 1 107 107 ASP CB C 13 41.714 0.000 . . . . . . . . . . 5899 1 1187 . 1 1 107 107 ASP HB2 H 1 2.923 0.000 . . . . . . . . . . 5899 1 1188 . 1 1 107 107 ASP HB3 H 1 2.642 0.000 . . . . . . . . . . 5899 1 1189 . 1 1 108 108 ILE N N 15 126.536 0.000 . . . . . . . . . . 5899 1 1190 . 1 1 108 108 ILE H H 1 8.778 0.000 . . . . . . . . . . 5899 1 1191 . 1 1 108 108 ILE CA C 13 62.841 0.000 . . . . . . . . . . 5899 1 1192 . 1 1 108 108 ILE HA H 1 3.723 0.000 . . . . . . . . . . 5899 1 1193 . 1 1 108 108 ILE CB C 13 37.497 0.000 . . . . . . . . . . 5899 1 1194 . 1 1 108 108 ILE HB H 1 1.911 0.000 . . . . . . . . . . 5899 1 1195 . 1 1 108 108 ILE HG21 H 1 0.863 0.000 . . . . . . . . . . 5899 1 1196 . 1 1 108 108 ILE HG22 H 1 0.863 0.000 . . . . . . . . . . 5899 1 1197 . 1 1 108 108 ILE HG23 H 1 0.863 0.000 . . . . . . . . . . 5899 1 1198 . 1 1 108 108 ILE CG2 C 13 18.366 0.000 . . . . . . . . . . 5899 1 1199 . 1 1 108 108 ILE CG1 C 13 28.292 0.000 . . . . . . . . . . 5899 1 1200 . 1 1 108 108 ILE HG12 H 1 1.468 0.000 . . . . . . . . . . 5899 1 1201 . 1 1 108 108 ILE HG13 H 1 1.358 0.000 . . . . . . . . . . 5899 1 1202 . 1 1 108 108 ILE HD11 H 1 0.802 0.000 . . . . . . . . . . 5899 1 1203 . 1 1 108 108 ILE HD12 H 1 0.802 0.000 . . . . . . . . . . 5899 1 1204 . 1 1 108 108 ILE HD13 H 1 0.802 0.000 . . . . . . . . . . 5899 1 1205 . 1 1 108 108 ILE CD1 C 13 12.687 0.000 . . . . . . . . . . 5899 1 1206 . 1 1 109 109 ASP N N 15 120.463 0.000 . . . . . . . . . . 5899 1 1207 . 1 1 109 109 ASP H H 1 8.058 0.000 . . . . . . . . . . 5899 1 1208 . 1 1 109 109 ASP CA C 13 57.641 0.000 . . . . . . . . . . 5899 1 1209 . 1 1 109 109 ASP HA H 1 4.318 0.000 . . . . . . . . . . 5899 1 1210 . 1 1 110 110 GLU N N 15 120.025 0.000 . . . . . . . . . . 5899 1 1211 . 1 1 110 110 GLU H H 1 7.734 0.000 . . . . . . . . . . 5899 1 1212 . 1 1 110 110 GLU CA C 13 59.213 0.000 . . . . . . . . . . 5899 1 1213 . 1 1 110 110 GLU HA H 1 4.082 0.000 . . . . . . . . . . 5899 1 1214 . 1 1 110 110 GLU CB C 13 29.791 0.000 . . . . . . . . . . 5899 1 1215 . 1 1 110 110 GLU HB2 H 1 2.212 0.000 . . . . . . . . . . 5899 1 1216 . 1 1 110 110 GLU CG C 13 36.598 0.000 . . . . . . . . . . 5899 1 1217 . 1 1 110 110 GLU HG2 H 1 2.272 0.000 . . . . . . . . . . 5899 1 1218 . 1 1 110 110 GLU HG3 H 1 2.436 0.000 . . . . . . . . . . 5899 1 1219 . 1 1 111 111 ILE N N 15 119.412 0.000 . . . . . . . . . . 5899 1 1220 . 1 1 111 111 ILE H H 1 7.640 0.000 . . . . . . . . . . 5899 1 1221 . 1 1 111 111 ILE CA C 13 63.574 0.000 . . . . . . . . . . 5899 1 1222 . 1 1 111 111 ILE HA H 1 3.415 0.000 . . . . . . . . . . 5899 1 1223 . 1 1 111 111 ILE CB C 13 36.803 0.000 . . . . . . . . . . 5899 1 1224 . 1 1 111 111 ILE HB H 1 1.200 0.000 . . . . . . . . . . 5899 1 1225 . 1 1 111 111 ILE HG21 H 1 0.488 0.003 . . . . . . . . . . 5899 1 1226 . 1 1 111 111 ILE HG22 H 1 0.488 0.003 . . . . . . . . . . 5899 1 1227 . 1 1 111 111 ILE HG23 H 1 0.488 0.003 . . . . . . . . . . 5899 1 1228 . 1 1 111 111 ILE CG2 C 13 16.996 0.000 . . . . . . . . . . 5899 1 1229 . 1 1 111 111 ILE CG1 C 13 28.069 0.000 . . . . . . . . . . 5899 1 1230 . 1 1 111 111 ILE HG12 H 1 0.440 0.000 . . . . . . . . . . 5899 1 1231 . 1 1 111 111 ILE HD11 H 1 -0.355 0.008 . . . . . . . . . . 5899 1 1232 . 1 1 111 111 ILE HD12 H 1 -0.355 0.008 . . . . . . . . . . 5899 1 1233 . 1 1 111 111 ILE HD13 H 1 -0.355 0.008 . . . . . . . . . . 5899 1 1234 . 1 1 111 111 ILE CD1 C 13 11.462 0.000 . . . . . . . . . . 5899 1 1235 . 1 1 112 112 ARG N N 15 121.835 0.000 . . . . . . . . . . 5899 1 1236 . 1 1 112 112 ARG H H 1 8.200 0.000 . . . . . . . . . . 5899 1 1237 . 1 1 112 112 ARG CA C 13 60.263 0.000 . . . . . . . . . . 5899 1 1238 . 1 1 112 112 ARG HA H 1 3.904 0.000 . . . . . . . . . . 5899 1 1239 . 1 1 112 112 ARG CB C 13 30.294 0.000 . . . . . . . . . . 5899 1 1240 . 1 1 112 112 ARG HB2 H 1 1.969 0.000 . . . . . . . . . . 5899 1 1241 . 1 1 112 112 ARG CG C 13 27.611 0.000 . . . . . . . . . . 5899 1 1242 . 1 1 112 112 ARG HG2 H 1 1.319 0.000 . . . . . . . . . . 5899 1 1243 . 1 1 112 112 ARG HG3 H 1 1.694 0.000 . . . . . . . . . . 5899 1 1244 . 1 1 112 112 ARG CD C 13 43.391 0.000 . . . . . . . . . . 5899 1 1245 . 1 1 112 112 ARG HD2 H 1 3.090 0.000 . . . . . . . . . . 5899 1 1246 . 1 1 112 112 ARG HD3 H 1 3.184 0.000 . . . . . . . . . . 5899 1 1247 . 1 1 112 112 ARG NE N 15 84.932 0.000 . . . . . . . . . . 5899 1 1248 . 1 1 112 112 ARG HE H 1 7.115 0.000 . . . . . . . . . . 5899 1 1249 . 1 1 113 113 ASP N N 15 118.087 0.000 . . . . . . . . . . 5899 1 1250 . 1 1 113 113 ASP H H 1 7.967 0.000 . . . . . . . . . . 5899 1 1251 . 1 1 113 113 ASP CA C 13 57.180 0.000 . . . . . . . . . . 5899 1 1252 . 1 1 113 113 ASP HA H 1 4.360 0.000 . . . . . . . . . . 5899 1 1253 . 1 1 113 113 ASP CB C 13 40.391 0.004 . . . . . . . . . . 5899 1 1254 . 1 1 113 113 ASP HB2 H 1 2.772 0.000 . . . . . . . . . . 5899 1 1255 . 1 1 113 113 ASP HB3 H 1 2.587 0.000 . . . . . . . . . . 5899 1 1256 . 1 1 114 114 ALA N N 15 122.565 0.000 . . . . . . . . . . 5899 1 1257 . 1 1 114 114 ALA H H 1 8.005 0.000 . . . . . . . . . . 5899 1 1258 . 1 1 114 114 ALA CA C 13 55.086 0.000 . . . . . . . . . . 5899 1 1259 . 1 1 114 114 ALA HA H 1 4.136 0.000 . . . . . . . . . . 5899 1 1260 . 1 1 114 114 ALA HB1 H 1 1.691 0.000 . . . . . . . . . . 5899 1 1261 . 1 1 114 114 ALA HB2 H 1 1.691 0.000 . . . . . . . . . . 5899 1 1262 . 1 1 114 114 ALA HB3 H 1 1.691 0.000 . . . . . . . . . . 5899 1 1263 . 1 1 114 114 ALA CB C 13 18.681 0.000 . . . . . . . . . . 5899 1 1264 . 1 1 115 115 VAL N N 15 117.602 0.000 . . . . . . . . . . 5899 1 1265 . 1 1 115 115 VAL H H 1 8.176 0.000 . . . . . . . . . . 5899 1 1266 . 1 1 115 115 VAL CA C 13 67.836 0.000 . . . . . . . . . . 5899 1 1267 . 1 1 115 115 VAL HA H 1 3.373 0.000 . . . . . . . . . . 5899 1 1268 . 1 1 115 115 VAL CB C 13 31.114 0.000 . . . . . . . . . . 5899 1 1269 . 1 1 115 115 VAL HB H 1 2.064 0.000 . . . . . . . . . . 5899 1 1270 . 1 1 115 115 VAL HG11 H 1 0.320 0.000 . . . . . . . . . . 5899 1 1271 . 1 1 115 115 VAL HG12 H 1 0.320 0.000 . . . . . . . . . . 5899 1 1272 . 1 1 115 115 VAL HG13 H 1 0.320 0.000 . . . . . . . . . . 5899 1 1273 . 1 1 115 115 VAL HG21 H 1 0.742 0.000 . . . . . . . . . . 5899 1 1274 . 1 1 115 115 VAL HG22 H 1 0.742 0.000 . . . . . . . . . . 5899 1 1275 . 1 1 115 115 VAL HG23 H 1 0.742 0.000 . . . . . . . . . . 5899 1 1276 . 1 1 115 115 VAL CG1 C 13 20.879 0.000 . . . . . . . . . . 5899 1 1277 . 1 1 115 115 VAL CG2 C 13 23.668 0.000 . . . . . . . . . . 5899 1 1278 . 1 1 116 116 LYS N N 15 116.493 0.000 . . . . . . . . . . 5899 1 1279 . 1 1 116 116 LYS H H 1 7.734 0.000 . . . . . . . . . . 5899 1 1280 . 1 1 116 116 LYS CA C 13 59.245 0.000 . . . . . . . . . . 5899 1 1281 . 1 1 116 116 LYS HA H 1 4.501 0.000 . . . . . . . . . . 5899 1 1282 . 1 1 116 116 LYS CG C 13 25.524 0.000 . . . . . . . . . . 5899 1 1283 . 1 1 116 116 LYS HG2 H 1 1.854 0.000 . . . . . . . . . . 5899 1 1284 . 1 1 117 117 LYS N N 15 117.427 0.000 . . . . . . . . . . 5899 1 1285 . 1 1 117 117 LYS H H 1 7.416 0.000 . . . . . . . . . . 5899 1 1286 . 1 1 117 117 LYS CA C 13 58.429 0.000 . . . . . . . . . . 5899 1 1287 . 1 1 117 117 LYS HA H 1 3.949 0.000 . . . . . . . . . . 5899 1 1288 . 1 1 117 117 LYS CB C 13 32.249 0.000 . . . . . . . . . . 5899 1 1289 . 1 1 117 117 LYS HB2 H 1 1.649 0.000 . . . . . . . . . . 5899 1 1290 . 1 1 117 117 LYS CG C 13 24.731 0.002 . . . . . . . . . . 5899 1 1291 . 1 1 117 117 LYS HG2 H 1 1.231 0.000 . . . . . . . . . . 5899 1 1292 . 1 1 117 117 LYS HG3 H 1 0.850 0.000 . . . . . . . . . . 5899 1 1293 . 1 1 117 117 LYS CD C 13 29.211 0.000 . . . . . . . . . . 5899 1 1294 . 1 1 117 117 LYS HD2 H 1 1.421 0.000 . . . . . . . . . . 5899 1 1295 . 1 1 117 117 LYS CE C 13 42.067 0.000 . . . . . . . . . . 5899 1 1296 . 1 1 117 117 LYS HE2 H 1 2.735 0.000 . . . . . . . . . . 5899 1 1297 . 1 1 117 117 LYS HE3 H 1 2.797 0.000 . . . . . . . . . . 5899 1 1298 . 1 1 118 118 TYR N N 15 116.142 0.000 . . . . . . . . . . 5899 1 1299 . 1 1 118 118 TYR H H 1 7.740 0.000 . . . . . . . . . . 5899 1 1300 . 1 1 118 118 TYR CA C 13 59.770 0.000 . . . . . . . . . . 5899 1 1301 . 1 1 118 118 TYR HA H 1 4.514 0.008 . . . . . . . . . . 5899 1 1302 . 1 1 118 118 TYR CB C 13 38.944 0.000 . . . . . . . . . . 5899 1 1303 . 1 1 118 118 TYR HB2 H 1 3.043 0.002 . . . . . . . . . . 5899 1 1304 . 1 1 118 118 TYR HB3 H 1 2.556 0.008 . . . . . . . . . . 5899 1 1305 . 1 1 118 118 TYR HD1 H 1 7.133 0.001 . . . . . . . . . . 5899 1 1306 . 1 1 118 118 TYR HE1 H 1 6.754 0.001 . . . . . . . . . . 5899 1 1307 . 1 1 118 118 TYR CD1 C 13 135.562 0.000 . . . . . . . . . . 5899 1 1308 . 1 1 118 118 TYR CE2 C 13 120.412 0.001 . . . . . . . . . . 5899 1 1309 . 1 1 119 119 LEU N N 15 121.952 0.000 . . . . . . . . . . 5899 1 1310 . 1 1 119 119 LEU H H 1 8.265 0.000 . . . . . . . . . . 5899 1 1311 . 1 1 119 119 LEU CA C 13 52.482 0.000 . . . . . . . . . . 5899 1 1312 . 1 1 119 119 LEU HA H 1 4.646 0.000 . . . . . . . . . . 5899 1 1313 . 1 1 119 119 LEU CB C 13 42.727 0.000 . . . . . . . . . . 5899 1 1314 . 1 1 119 119 LEU HB2 H 1 1.230 0.000 . . . . . . . . . . 5899 1 1315 . 1 1 119 119 LEU HB3 H 1 1.838 0.000 . . . . . . . . . . 5899 1 1316 . 1 1 119 119 LEU CG C 13 25.759 0.000 . . . . . . . . . . 5899 1 1317 . 1 1 119 119 LEU HG H 1 0.653 0.005 . . . . . . . . . . 5899 1 1318 . 1 1 120 120 PRO CD C 13 49.969 0.002 . . . . . . . . . . 5899 1 1319 . 1 1 120 120 PRO CA C 13 63.378 0.000 . . . . . . . . . . 5899 1 1320 . 1 1 120 120 PRO HA H 1 4.496 0.000 . . . . . . . . . . 5899 1 1321 . 1 1 120 120 PRO CB C 13 31.969 0.007 . . . . . . . . . . 5899 1 1322 . 1 1 120 120 PRO HB2 H 1 1.873 0.000 . . . . . . . . . . 5899 1 1323 . 1 1 120 120 PRO HB3 H 1 2.305 0.000 . . . . . . . . . . 5899 1 1324 . 1 1 120 120 PRO CG C 13 27.461 0.000 . . . . . . . . . . 5899 1 1325 . 1 1 120 120 PRO HG2 H 1 2.019 0.000 . . . . . . . . . . 5899 1 1326 . 1 1 120 120 PRO HD2 H 1 3.445 0.000 . . . . . . . . . . 5899 1 1327 . 1 1 120 120 PRO HD3 H 1 3.543 0.000 . . . . . . . . . . 5899 1 1328 . 1 1 121 121 LEU N N 15 123.237 0.000 . . . . . . . . . . 5899 1 1329 . 1 1 121 121 LEU H H 1 8.283 0.000 . . . . . . . . . . 5899 1 1330 . 1 1 121 121 LEU CA C 13 54.918 0.000 . . . . . . . . . . 5899 1 1331 . 1 1 121 121 LEU HA H 1 4.324 0.000 . . . . . . . . . . 5899 1 1332 . 1 1 121 121 LEU CB C 13 42.546 0.000 . . . . . . . . . . 5899 1 1333 . 1 1 121 121 LEU HB2 H 1 1.572 0.000 . . . . . . . . . . 5899 1 1334 . 1 1 121 121 LEU HB3 H 1 1.464 0.000 . . . . . . . . . . 5899 1 1335 . 1 1 121 121 LEU CG C 13 26.914 0.000 . . . . . . . . . . 5899 1 1336 . 1 1 121 121 LEU HG H 1 1.501 0.000 . . . . . . . . . . 5899 1 1337 . 1 1 121 121 LEU HD11 H 1 0.613 0.000 . . . . . . . . . . 5899 1 1338 . 1 1 121 121 LEU HD12 H 1 0.613 0.000 . . . . . . . . . . 5899 1 1339 . 1 1 121 121 LEU HD13 H 1 0.613 0.000 . . . . . . . . . . 5899 1 1340 . 1 1 121 121 LEU HD21 H 1 0.622 0.000 . . . . . . . . . . 5899 1 1341 . 1 1 121 121 LEU HD22 H 1 0.622 0.000 . . . . . . . . . . 5899 1 1342 . 1 1 121 121 LEU HD23 H 1 0.622 0.000 . . . . . . . . . . 5899 1 1343 . 1 1 121 121 LEU CD1 C 13 25.023 0.000 . . . . . . . . . . 5899 1 1344 . 1 1 121 121 LEU CD2 C 13 23.809 0.000 . . . . . . . . . . 5899 1 1345 . 1 1 122 122 LYS N N 15 123.441 0.000 . . . . . . . . . . 5899 1 1346 . 1 1 122 122 LYS H H 1 8.471 0.000 . . . . . . . . . . 5899 1 1347 . 1 1 122 122 LYS CA C 13 56.132 0.000 . . . . . . . . . . 5899 1 1348 . 1 1 122 122 LYS HA H 1 4.388 0.000 . . . . . . . . . . 5899 1 1349 . 1 1 122 122 LYS CB C 13 33.149 0.000 . . . . . . . . . . 5899 1 1350 . 1 1 122 122 LYS HB2 H 1 1.869 0.000 . . . . . . . . . . 5899 1 1351 . 1 1 122 122 LYS HB3 H 1 1.796 0.000 . . . . . . . . . . 5899 1 1352 . 1 1 122 122 LYS CG C 13 24.324 0.000 . . . . . . . . . . 5899 1 1353 . 1 1 122 122 LYS HG2 H 1 1.429 0.000 . . . . . . . . . . 5899 1 1354 . 1 1 122 122 LYS CD C 13 29.133 0.000 . . . . . . . . . . 5899 1 1355 . 1 1 122 122 LYS HD2 H 1 1.680 0.000 . . . . . . . . . . 5899 1 1356 . 1 1 122 122 LYS CE C 13 42.041 0.000 . . . . . . . . . . 5899 1 1357 . 1 1 122 122 LYS HE2 H 1 3.008 0.000 . . . . . . . . . . 5899 1 1358 . 1 1 123 123 SER N N 15 117.552 0.000 . . . . . . . . . . 5899 1 1359 . 1 1 123 123 SER H H 1 8.391 0.000 . . . . . . . . . . 5899 1 1360 . 1 1 123 123 SER CA C 13 58.366 0.000 . . . . . . . . . . 5899 1 1361 . 1 1 123 123 SER HA H 1 4.033 0.000 . . . . . . . . . . 5899 1 1362 . 1 1 123 123 SER CB C 13 64.068 0.000 . . . . . . . . . . 5899 1 1363 . 1 1 123 123 SER HB2 H 1 3.852 0.000 . . . . . . . . . . 5899 1 1364 . 1 1 124 124 ASN N N 15 125.958 0.000 . . . . . . . . . . 5899 1 1365 . 1 1 124 124 ASN H H 1 8.058 0.000 . . . . . . . . . . 5899 1 1366 . 1 1 124 124 ASN CA C 13 54.831 0.000 . . . . . . . . . . 5899 1 1367 . 1 1 124 124 ASN HA H 1 4.484 0.000 . . . . . . . . . . 5899 1 1368 . 1 1 124 124 ASN CB C 13 39.955 0.002 . . . . . . . . . . 5899 1 1369 . 1 1 124 124 ASN HB2 H 1 2.749 0.000 . . . . . . . . . . 5899 1 1370 . 1 1 124 124 ASN HB3 H 1 2.706 0.000 . . . . . . . . . . 5899 1 stop_ save_