data_5807 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5807 _Entry.Title ; Letter to the Editor: Assignments of 1H and 15N resonances of the bacteriophage lambda capsid stabilizing protein gpD ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-05-22 _Entry.Accession_date 2003-05-22 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _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 Hideo Iwai . . . 5807 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5807 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 701 5807 '15N chemical shifts' 110 5807 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 . . 2004-02-11 2003-05-22 original author . 5807 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5807 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14739644 _Citation.Full_citation . _Citation.Title ; Lette to the Editor: Assignments of 1H and 15N resonances of the bacteriophage lambda capsid stabilizing protein gpD ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _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 89 _Citation.Page_last 90 _Citation.Year 2004 _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 Hideo Iwai . . . 5807 1 2 Patrik Forrer . . . 5807 1 3 Andreas Pluckthun . . . 5807 1 4 Peter Guntert . . . 5807 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacteriophage lambda' 5807 1 capsid 5807 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5807 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10700283 _Citation.Full_citation ; Yang F, Forrer P, Dauter Z, Conway JF, Cheng N, Cerritelli ME, Steven AC, Pluckthun A, Wlodawer A. Nat. Struct. Biol. 7, 230-237(2000). ; _Citation.Title 'Novel fold and capsid-binding properties of the lambda-phage display platform protein gpD.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature structural biology' _Citation.Journal_volume 7 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1072-8368 _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 230 _Citation.Page_last 237 _Citation.Year 2000 _Citation.Details ; The crystal structure of gpD, the capsid-stabilizing protein of bacteriophage lambda, was solved at 1.1 A resolution. Data were obtained from twinned crystals in space group P21 and refined with anisotropic temperature factors to an R-factor of 0.098 (Rfree = 0. 132). GpD (109 residues) has a novel fold with an unusually low content of regular secondary structure. Noncrystallographic trimers with substantial intersubunit interfaces were observed. The C-termini are well ordered and located on one side of the trimer, relatively far from its three-fold axis. The N-termini are disordered up to Ser 15, which is close to the three-fold axis and on the same side as the C-termini. A density map of the icosahedral viral capsid at 15 A resolution, obtained by cryo-electron microscopy and image reconstruction, reveals gpD trimers, seemingly indistinguishable from the ones seen in the crystals, at all three-fold sites. The map further reveals that the side of the trimer that binds to the capsid is the side on which both termini reside. Despite this orientation of the gpD trimer, fusion proteins connected by linker peptides to either terminus bind to the capsid, allowing protein and peptide display. ; 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 F Yang F. . . 5807 2 2 P Forrer P. . . 5807 2 3 Z Dauter Z. . . 5807 2 4 'J F' Conway J. F. . 5807 2 5 N Cheng N. . . 5807 2 6 'M E' Cerritelli M. E. . 5807 2 7 'A C' Steven A. C. . 5807 2 8 A Pluckthun A. . . 5807 2 9 A Wlodawer A. . . 5807 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_gpD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_gpD _Assembly.Entry_ID 5807 _Assembly.ID 1 _Assembly.Name gpD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5807 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 gpD 1 $gpD . . . native . . . . . 5807 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID gpD system 5807 1 gpD abbreviation 5807 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gpD _Entity.Sf_category entity _Entity.Sf_framecode gpD _Entity.Entry_ID 5807 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'bacteriophage lambda gpD' _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 ; TSKETFTHYQPQGNSDPAHT ATAPGGLSAKAPAMTPLMLD TSSRKLVAWDGTTDGAAVGI LAVAADQTSTTLTFYKSGTF RYEDVLWPEAASDETKKRTA FAGTAISIV ; _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 109 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1C5E . "Bacteriophage Lambda Head Protein D" . . . . . 87.16 95 100.00 100.00 7.87e-59 . . . . 5807 1 2 no PDB 1TCZ . "Crystal Structure Of A Truncated Version Of The Phage Lamda Protein Gpd" . . . . . 87.16 95 100.00 100.00 7.87e-59 . . . . 5807 1 3 no PDB 1VD0 . "Capsid Stabilizing Protein Gpd, Nmr, 20 Structures" . . . . . 100.00 109 100.00 100.00 4.43e-71 . . . . 5807 1 4 no DBJ BAB35057 . "major capsid protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 99.08 99.08 6.48e-70 . . . . 5807 1 5 no DBJ BAB35598 . "putative head decoration protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 99.08 99.08 6.48e-70 . . . . 5807 1 6 no DBJ BAI23942 . "putative head-DNA stabilization protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 112 97.25 99.08 5.54e-69 . . . . 5807 1 7 no DBJ BAI25490 . "putative head-DNA stabilization protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 112 99.08 99.08 5.73e-70 . . . . 5807 1 8 no DBJ BAI29409 . "putative head-DNA stabilization protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 112 100.00 100.00 3.87e-71 . . . . 5807 1 9 no EMBL CAQ31253 . "enterobacteria phage lambda, head-DNA stabilization protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 110 100.00 100.00 4.24e-71 . . . . 5807 1 10 no EMBL CAR12629 . "Head decoration protein from bacteriophage origin [Escherichia coli UMN026]" . . . . . 100.00 112 97.25 98.17 6.67e-69 . . . . 5807 1 11 no EMBL CAU96661 . "Head decoration protein from bacteriophage origin [Escherichia coli 55989]" . . . . . 100.00 112 98.17 99.08 1.82e-69 . . . . 5807 1 12 no EMBL CBG34517 . "head decoration protein (major capsid protein) [Escherichia coli 042]" . . . . . 100.00 110 99.08 99.08 6.48e-70 . . . . 5807 1 13 no EMBL CBJ00729 . "putative head-DNA stabilization phage protein [Escherichia coli ETEC H10407]" . . . . . 100.00 110 97.25 98.17 1.75e-68 . . . . 5807 1 14 no GB AAA96539 . "D (head-DNA stabilization;110) [Enterobacteria phage lambda]" . . . . . 100.00 110 100.00 100.00 4.24e-71 . . . . 5807 1 15 no GB AAG55984 . "putative head-DNA stabilization protein of prophage CP-933X, partial [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.99 115 96.91 97.94 7.07e-60 . . . . 5807 1 16 no GB AAN81621 . "Putative head-DNA stabilization protein of prophage [Escherichia coli CFT073]" . . . . . 100.00 112 97.25 98.17 1.61e-68 . . . . 5807 1 17 no GB AAQ93654 . "pDfusion [Expression vector pAT222]" . . . . . 82.57 131 100.00 100.00 2.32e-54 . . . . 5807 1 18 no GB AAQ93658 . "pDfusion [Expression vector pAT223]" . . . . . 82.57 134 100.00 100.00 3.13e-54 . . . . 5807 1 19 no REF NP_040586 . "head-DNA stabilization protein [Enterobacteria phage lambda]" . . . . . 100.00 110 100.00 100.00 4.24e-71 . . . . 5807 1 20 no REF NP_287372 . "head-DNA stabilization protein of prophage CP-933X, partial [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.99 115 96.91 97.94 7.07e-60 . . . . 5807 1 21 no REF NP_309661 . "major capsid protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 99.08 99.08 6.48e-70 . . . . 5807 1 22 no REF NP_310202 . "head decoration protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 99.08 99.08 6.48e-70 . . . . 5807 1 23 no REF NP_755051 . "head-DNA stabilization protein of prophage [Escherichia coli CFT073]" . . . . . 100.00 112 97.25 98.17 1.61e-68 . . . . 5807 1 24 no SP P03712 . "RecName: Full=Capsid decoration protein; AltName: Full=Auxiliary protein D; AltName: Full=Gene product D; Short=gpD; AltName: F" . . . . . 100.00 110 100.00 100.00 4.24e-71 . . . . 5807 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'bacteriophage lambda gpD' common 5807 1 gpD abbreviation 5807 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 . THR . 5807 1 2 . SER . 5807 1 3 . LYS . 5807 1 4 . GLU . 5807 1 5 . THR . 5807 1 6 . PHE . 5807 1 7 . THR . 5807 1 8 . HIS . 5807 1 9 . TYR . 5807 1 10 . GLN . 5807 1 11 . PRO . 5807 1 12 . GLN . 5807 1 13 . GLY . 5807 1 14 . ASN . 5807 1 15 . SER . 5807 1 16 . ASP . 5807 1 17 . PRO . 5807 1 18 . ALA . 5807 1 19 . HIS . 5807 1 20 . THR . 5807 1 21 . ALA . 5807 1 22 . THR . 5807 1 23 . ALA . 5807 1 24 . PRO . 5807 1 25 . GLY . 5807 1 26 . GLY . 5807 1 27 . LEU . 5807 1 28 . SER . 5807 1 29 . ALA . 5807 1 30 . LYS . 5807 1 31 . ALA . 5807 1 32 . PRO . 5807 1 33 . ALA . 5807 1 34 . MET . 5807 1 35 . THR . 5807 1 36 . PRO . 5807 1 37 . LEU . 5807 1 38 . MET . 5807 1 39 . LEU . 5807 1 40 . ASP . 5807 1 41 . THR . 5807 1 42 . SER . 5807 1 43 . SER . 5807 1 44 . ARG . 5807 1 45 . LYS . 5807 1 46 . LEU . 5807 1 47 . VAL . 5807 1 48 . ALA . 5807 1 49 . TRP . 5807 1 50 . ASP . 5807 1 51 . GLY . 5807 1 52 . THR . 5807 1 53 . THR . 5807 1 54 . ASP . 5807 1 55 . GLY . 5807 1 56 . ALA . 5807 1 57 . ALA . 5807 1 58 . VAL . 5807 1 59 . GLY . 5807 1 60 . ILE . 5807 1 61 . LEU . 5807 1 62 . ALA . 5807 1 63 . VAL . 5807 1 64 . ALA . 5807 1 65 . ALA . 5807 1 66 . ASP . 5807 1 67 . GLN . 5807 1 68 . THR . 5807 1 69 . SER . 5807 1 70 . THR . 5807 1 71 . THR . 5807 1 72 . LEU . 5807 1 73 . THR . 5807 1 74 . PHE . 5807 1 75 . TYR . 5807 1 76 . LYS . 5807 1 77 . SER . 5807 1 78 . GLY . 5807 1 79 . THR . 5807 1 80 . PHE . 5807 1 81 . ARG . 5807 1 82 . TYR . 5807 1 83 . GLU . 5807 1 84 . ASP . 5807 1 85 . VAL . 5807 1 86 . LEU . 5807 1 87 . TRP . 5807 1 88 . PRO . 5807 1 89 . GLU . 5807 1 90 . ALA . 5807 1 91 . ALA . 5807 1 92 . SER . 5807 1 93 . ASP . 5807 1 94 . GLU . 5807 1 95 . THR . 5807 1 96 . LYS . 5807 1 97 . LYS . 5807 1 98 . ARG . 5807 1 99 . THR . 5807 1 100 . ALA . 5807 1 101 . PHE . 5807 1 102 . ALA . 5807 1 103 . GLY . 5807 1 104 . THR . 5807 1 105 . ALA . 5807 1 106 . ILE . 5807 1 107 . SER . 5807 1 108 . ILE . 5807 1 109 . VAL . 5807 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 . THR 1 1 5807 1 . SER 2 2 5807 1 . LYS 3 3 5807 1 . GLU 4 4 5807 1 . THR 5 5 5807 1 . PHE 6 6 5807 1 . THR 7 7 5807 1 . HIS 8 8 5807 1 . TYR 9 9 5807 1 . GLN 10 10 5807 1 . PRO 11 11 5807 1 . GLN 12 12 5807 1 . GLY 13 13 5807 1 . ASN 14 14 5807 1 . SER 15 15 5807 1 . ASP 16 16 5807 1 . PRO 17 17 5807 1 . ALA 18 18 5807 1 . HIS 19 19 5807 1 . THR 20 20 5807 1 . ALA 21 21 5807 1 . THR 22 22 5807 1 . ALA 23 23 5807 1 . PRO 24 24 5807 1 . GLY 25 25 5807 1 . GLY 26 26 5807 1 . LEU 27 27 5807 1 . SER 28 28 5807 1 . ALA 29 29 5807 1 . LYS 30 30 5807 1 . ALA 31 31 5807 1 . PRO 32 32 5807 1 . ALA 33 33 5807 1 . MET 34 34 5807 1 . THR 35 35 5807 1 . PRO 36 36 5807 1 . LEU 37 37 5807 1 . MET 38 38 5807 1 . LEU 39 39 5807 1 . ASP 40 40 5807 1 . THR 41 41 5807 1 . SER 42 42 5807 1 . SER 43 43 5807 1 . ARG 44 44 5807 1 . LYS 45 45 5807 1 . LEU 46 46 5807 1 . VAL 47 47 5807 1 . ALA 48 48 5807 1 . TRP 49 49 5807 1 . ASP 50 50 5807 1 . GLY 51 51 5807 1 . THR 52 52 5807 1 . THR 53 53 5807 1 . ASP 54 54 5807 1 . GLY 55 55 5807 1 . ALA 56 56 5807 1 . ALA 57 57 5807 1 . VAL 58 58 5807 1 . GLY 59 59 5807 1 . ILE 60 60 5807 1 . LEU 61 61 5807 1 . ALA 62 62 5807 1 . VAL 63 63 5807 1 . ALA 64 64 5807 1 . ALA 65 65 5807 1 . ASP 66 66 5807 1 . GLN 67 67 5807 1 . THR 68 68 5807 1 . SER 69 69 5807 1 . THR 70 70 5807 1 . THR 71 71 5807 1 . LEU 72 72 5807 1 . THR 73 73 5807 1 . PHE 74 74 5807 1 . TYR 75 75 5807 1 . LYS 76 76 5807 1 . SER 77 77 5807 1 . GLY 78 78 5807 1 . THR 79 79 5807 1 . PHE 80 80 5807 1 . ARG 81 81 5807 1 . TYR 82 82 5807 1 . GLU 83 83 5807 1 . ASP 84 84 5807 1 . VAL 85 85 5807 1 . LEU 86 86 5807 1 . TRP 87 87 5807 1 . PRO 88 88 5807 1 . GLU 89 89 5807 1 . ALA 90 90 5807 1 . ALA 91 91 5807 1 . SER 92 92 5807 1 . ASP 93 93 5807 1 . GLU 94 94 5807 1 . THR 95 95 5807 1 . LYS 96 96 5807 1 . LYS 97 97 5807 1 . ARG 98 98 5807 1 . THR 99 99 5807 1 . ALA 100 100 5807 1 . PHE 101 101 5807 1 . ALA 102 102 5807 1 . GLY 103 103 5807 1 . THR 104 104 5807 1 . ALA 105 105 5807 1 . ILE 106 106 5807 1 . SER 107 107 5807 1 . ILE 108 108 5807 1 . VAL 109 109 5807 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 5807 _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 $gpD . 10710 . . 'Bacteriophage lambda' 'Bacteriophage lambda' . . virus . Bacteriophage lambda . . . . . . . . . . . . . . . . . . . . . 5807 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 5807 _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 $gpD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5807 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5807 _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 'bacteriophage lambda gpD' '[U-98% 15N]' . . 1 $gpD . . 1.5 . . mM . . . . 5807 1 2 'potassium phosphate' . . . . . . . . 20 50 mM . . . . 5807 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 5807 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 5807 1 temperature 298 1 K 5807 1 'ionic strength' 0.02 0.01 M 5807 1 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 5807 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5807 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5807 _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 DRX . 600 . . . 5807 1 2 NMR_spectrometer Bruker Avance . 800 . . . 5807 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 5807 _Experiment_list.ID 1 _Experiment_list.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 5807 _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 1.0 . . . . . . . . . 5807 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5807 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_shiftset_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shiftset_1 _Assigned_chem_shift_list.Entry_ID 5807 _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 $sample_1 . 5807 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 SER N N 15 121.3 0.2 . 1 . . . . . . . . 5807 1 2 . 1 1 2 2 SER H H 1 8.31 0.03 . 1 . . . . . . . . 5807 1 3 . 1 1 3 3 LYS N N 15 123.3 0.2 . 1 . . . . . . . . 5807 1 4 . 1 1 3 3 LYS H H 1 8.49 0.03 . 1 . . . . . . . . 5807 1 5 . 1 1 3 3 LYS HA H 1 4.42 0.03 . 1 . . . . . . . . 5807 1 6 . 1 1 3 3 LYS HB2 H 1 1.40 0.03 . 2 . . . . . . . . 5807 1 7 . 1 1 3 3 LYS HB3 H 1 1.70 0.03 . 2 . . . . . . . . 5807 1 8 . 1 1 4 4 GLU N N 15 121.8 0.2 . 1 . . . . . . . . 5807 1 9 . 1 1 4 4 GLU H H 1 8.44 0.03 . 1 . . . . . . . . 5807 1 10 . 1 1 4 4 GLU HA H 1 4.22 0.03 . 1 . . . . . . . . 5807 1 11 . 1 1 4 4 GLU HB2 H 1 1.81 0.03 . 1 . . . . . . . . 5807 1 12 . 1 1 4 4 GLU HB3 H 1 1.81 0.03 . 1 . . . . . . . . 5807 1 13 . 1 1 4 4 GLU HG2 H 1 2.12 0.03 . 1 . . . . . . . . 5807 1 14 . 1 1 4 4 GLU HG3 H 1 2.12 0.03 . 1 . . . . . . . . 5807 1 15 . 1 1 5 5 THR N N 15 116.0 0.2 . 1 . . . . . . . . 5807 1 16 . 1 1 5 5 THR H H 1 8.09 0.03 . 1 . . . . . . . . 5807 1 17 . 1 1 5 5 THR HA H 1 4.17 0.03 . 1 . . . . . . . . 5807 1 18 . 1 1 5 5 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 5807 1 19 . 1 1 5 5 THR HG21 H 1 1.00 0.03 . 1 . . . . . . . . 5807 1 20 . 1 1 5 5 THR HG22 H 1 1.00 0.03 . 1 . . . . . . . . 5807 1 21 . 1 1 5 5 THR HG23 H 1 1.00 0.03 . 1 . . . . . . . . 5807 1 22 . 1 1 6 6 PHE N N 15 121.8 0.2 . 1 . . . . . . . . 5807 1 23 . 1 1 6 6 PHE H H 1 8.13 0.03 . 1 . . . . . . . . 5807 1 24 . 1 1 6 6 PHE HA H 1 4.62 0.03 . 1 . . . . . . . . 5807 1 25 . 1 1 6 6 PHE HB2 H 1 2.93 0.03 . 2 . . . . . . . . 5807 1 26 . 1 1 6 6 PHE HB3 H 1 3.04 0.03 . 2 . . . . . . . . 5807 1 27 . 1 1 6 6 PHE HD1 H 1 7.11 0.03 . 1 . . . . . . . . 5807 1 28 . 1 1 6 6 PHE HD2 H 1 7.11 0.03 . 1 . . . . . . . . 5807 1 29 . 1 1 7 7 THR N N 15 114.9 0.2 . 1 . . . . . . . . 5807 1 30 . 1 1 7 7 THR H H 1 8.12 0.03 . 1 . . . . . . . . 5807 1 31 . 1 1 7 7 THR HA H 1 4.22 0.03 . 1 . . . . . . . . 5807 1 32 . 1 1 7 7 THR HB H 1 4.04 0.03 . 1 . . . . . . . . 5807 1 33 . 1 1 7 7 THR HG21 H 1 1.04 0.03 . 1 . . . . . . . . 5807 1 34 . 1 1 7 7 THR HG22 H 1 1.04 0.03 . 1 . . . . . . . . 5807 1 35 . 1 1 7 7 THR HG23 H 1 1.04 0.03 . 1 . . . . . . . . 5807 1 36 . 1 1 8 8 HIS N N 15 123.1 0.2 . 1 . . . . . . . . 5807 1 37 . 1 1 8 8 HIS H H 1 8.23 0.03 . 1 . . . . . . . . 5807 1 38 . 1 1 8 8 HIS HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 39 . 1 1 8 8 HIS HB2 H 1 2.45 0.03 . 2 . . . . . . . . 5807 1 40 . 1 1 8 8 HIS HB3 H 1 2.59 0.03 . 2 . . . . . . . . 5807 1 41 . 1 1 9 9 TYR N N 15 121.5 0.2 . 1 . . . . . . . . 5807 1 42 . 1 1 9 9 TYR H H 1 8.12 0.03 . 1 . . . . . . . . 5807 1 43 . 1 1 9 9 TYR HA H 1 4.58 0.03 . 1 . . . . . . . . 5807 1 44 . 1 1 9 9 TYR HB2 H 1 2.75 0.03 . 2 . . . . . . . . 5807 1 45 . 1 1 9 9 TYR HB3 H 1 2.87 0.03 . 2 . . . . . . . . 5807 1 46 . 1 1 9 9 TYR HD1 H 1 6.92 0.03 . 1 . . . . . . . . 5807 1 47 . 1 1 9 9 TYR HD2 H 1 6.92 0.03 . 1 . . . . . . . . 5807 1 48 . 1 1 9 9 TYR HE1 H 1 6.70 0.03 . 1 . . . . . . . . 5807 1 49 . 1 1 9 9 TYR HE2 H 1 6.70 0.03 . 1 . . . . . . . . 5807 1 50 . 1 1 10 10 GLN N N 15 124.6 0.2 . 1 . . . . . . . . 5807 1 51 . 1 1 10 10 GLN H H 1 8.07 0.03 . 1 . . . . . . . . 5807 1 52 . 1 1 10 10 GLN HA H 1 4.40 0.03 . 1 . . . . . . . . 5807 1 53 . 1 1 10 10 GLN HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5807 1 54 . 1 1 10 10 GLN HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5807 1 55 . 1 1 10 10 GLN HG2 H 1 2.18 0.03 . 1 . . . . . . . . 5807 1 56 . 1 1 10 10 GLN HG3 H 1 2.18 0.03 . 1 . . . . . . . . 5807 1 57 . 1 1 10 10 GLN NE2 N 15 112.0 0.2 . 1 . . . . . . . . 5807 1 58 . 1 1 10 10 GLN HE21 H 1 7.39 0.03 . 2 . . . . . . . . 5807 1 59 . 1 1 10 10 GLN HE22 H 1 6.75 0.03 . 2 . . . . . . . . 5807 1 60 . 1 1 11 11 PRO HA H 1 4.71 0.03 . 1 . . . . . . . . 5807 1 61 . 1 1 11 11 PRO HD2 H 1 2.76 0.03 . 2 . . . . . . . . 5807 1 62 . 1 1 11 11 PRO HD3 H 1 2.86 0.03 . 2 . . . . . . . . 5807 1 63 . 1 1 12 12 GLN N N 15 120.0 0.2 . 1 . . . . . . . . 5807 1 64 . 1 1 12 12 GLN H H 1 8.42 0.03 . 1 . . . . . . . . 5807 1 65 . 1 1 12 12 GLN HA H 1 4.24 0.03 . 1 . . . . . . . . 5807 1 66 . 1 1 12 12 GLN HB2 H 1 1.87 0.03 . 2 . . . . . . . . 5807 1 67 . 1 1 12 12 GLN HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5807 1 68 . 1 1 12 12 GLN HG2 H 1 2.29 0.03 . 1 . . . . . . . . 5807 1 69 . 1 1 12 12 GLN HG3 H 1 2.29 0.03 . 1 . . . . . . . . 5807 1 70 . 1 1 12 12 GLN NE2 N 15 112.3 0.2 . 1 . . . . . . . . 5807 1 71 . 1 1 12 12 GLN HE21 H 1 7.41 0.03 . 2 . . . . . . . . 5807 1 72 . 1 1 12 12 GLN HE22 H 1 6.75 0.03 . 2 . . . . . . . . 5807 1 73 . 1 1 13 13 GLY N N 15 110.0 0.2 . 1 . . . . . . . . 5807 1 74 . 1 1 13 13 GLY H H 1 8.36 0.03 . 1 . . . . . . . . 5807 1 75 . 1 1 13 13 GLY HA2 H 1 3.86 0.03 . 2 . . . . . . . . 5807 1 76 . 1 1 13 13 GLY HA3 H 1 4.70 0.03 . 2 . . . . . . . . 5807 1 77 . 1 1 14 14 ASN N N 15 118.7 0.2 . 1 . . . . . . . . 5807 1 78 . 1 1 14 14 ASN H H 1 8.27 0.03 . 1 . . . . . . . . 5807 1 79 . 1 1 14 14 ASN HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 80 . 1 1 14 14 ASN HB2 H 1 2.65 0.03 . 2 . . . . . . . . 5807 1 81 . 1 1 14 14 ASN HB3 H 1 2.68 0.03 . 2 . . . . . . . . 5807 1 82 . 1 1 14 14 ASN ND2 N 15 112.4 0.2 . 1 . . . . . . . . 5807 1 83 . 1 1 14 14 ASN HD21 H 1 7.45 0.03 . 2 . . . . . . . . 5807 1 84 . 1 1 14 14 ASN HD22 H 1 6.77 0.03 . 2 . . . . . . . . 5807 1 85 . 1 1 15 15 SER N N 15 115.5 0.2 . 1 . . . . . . . . 5807 1 86 . 1 1 15 15 SER H H 1 8.16 0.03 . 1 . . . . . . . . 5807 1 87 . 1 1 15 15 SER HA H 1 4.63 0.03 . 1 . . . . . . . . 5807 1 88 . 1 1 15 15 SER HB2 H 1 3.76 0.03 . 2 . . . . . . . . 5807 1 89 . 1 1 15 15 SER HB3 H 1 4.38 0.03 . 2 . . . . . . . . 5807 1 90 . 1 1 16 16 ASP N N 15 121.1 0.2 . 1 . . . . . . . . 5807 1 91 . 1 1 16 16 ASP H H 1 9.10 0.03 . 1 . . . . . . . . 5807 1 92 . 1 1 16 16 ASP HA H 1 4.47 0.03 . 1 . . . . . . . . 5807 1 93 . 1 1 16 16 ASP HB2 H 1 1.72 0.03 . 2 . . . . . . . . 5807 1 94 . 1 1 16 16 ASP HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5807 1 95 . 1 1 17 17 PRO HA H 1 4.24 0.03 . 1 . . . . . . . . 5807 1 96 . 1 1 17 17 PRO HB2 H 1 1.87 0.03 . 2 . . . . . . . . 5807 1 97 . 1 1 17 17 PRO HB3 H 1 2.16 0.03 . 2 . . . . . . . . 5807 1 98 . 1 1 17 17 PRO HG2 H 1 1.83 0.03 . 2 . . . . . . . . 5807 1 99 . 1 1 17 17 PRO HG3 H 1 1.90 0.03 . 2 . . . . . . . . 5807 1 100 . 1 1 17 17 PRO HD2 H 1 3.45 0.03 . 2 . . . . . . . . 5807 1 101 . 1 1 17 17 PRO HD3 H 1 3.49 0.03 . 2 . . . . . . . . 5807 1 102 . 1 1 18 18 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 5807 1 103 . 1 1 18 18 ALA H H 1 8.22 0.03 . 1 . . . . . . . . 5807 1 104 . 1 1 18 18 ALA HA H 1 4.22 0.03 . 1 . . . . . . . . 5807 1 105 . 1 1 18 18 ALA HB1 H 1 1.21 0.03 . 1 . . . . . . . . 5807 1 106 . 1 1 18 18 ALA HB2 H 1 1.21 0.03 . 1 . . . . . . . . 5807 1 107 . 1 1 18 18 ALA HB3 H 1 1.21 0.03 . 1 . . . . . . . . 5807 1 108 . 1 1 19 19 HIS N N 15 117.3 0.2 . 1 . . . . . . . . 5807 1 109 . 1 1 19 19 HIS H H 1 7.98 0.03 . 1 . . . . . . . . 5807 1 110 . 1 1 19 19 HIS HA H 1 4.90 0.03 . 1 . . . . . . . . 5807 1 111 . 1 1 19 19 HIS HB2 H 1 3.07 0.03 . 2 . . . . . . . . 5807 1 112 . 1 1 19 19 HIS HB3 H 1 3.32 0.03 . 2 . . . . . . . . 5807 1 113 . 1 1 19 19 HIS HD2 H 1 7.01 0.03 . 1 . . . . . . . . 5807 1 114 . 1 1 19 19 HIS HE1 H 1 7.96 0.03 . 1 . . . . . . . . 5807 1 115 . 1 1 20 20 THR N N 15 111.6 0.2 . 1 . . . . . . . . 5807 1 116 . 1 1 20 20 THR H H 1 8.13 0.03 . 1 . . . . . . . . 5807 1 117 . 1 1 20 20 THR HA H 1 5.06 0.03 . 1 . . . . . . . . 5807 1 118 . 1 1 20 20 THR HB H 1 3.74 0.03 . 1 . . . . . . . . 5807 1 119 . 1 1 20 20 THR HG21 H 1 0.68 0.03 . 1 . . . . . . . . 5807 1 120 . 1 1 20 20 THR HG22 H 1 0.68 0.03 . 1 . . . . . . . . 5807 1 121 . 1 1 20 20 THR HG23 H 1 0.68 0.03 . 1 . . . . . . . . 5807 1 122 . 1 1 21 21 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 5807 1 123 . 1 1 21 21 ALA H H 1 8.64 0.03 . 1 . . . . . . . . 5807 1 124 . 1 1 21 21 ALA HA H 1 4.42 0.03 . 1 . . . . . . . . 5807 1 125 . 1 1 21 21 ALA HB1 H 1 0.80 0.03 . 1 . . . . . . . . 5807 1 126 . 1 1 21 21 ALA HB2 H 1 0.80 0.03 . 1 . . . . . . . . 5807 1 127 . 1 1 21 21 ALA HB3 H 1 0.80 0.03 . 1 . . . . . . . . 5807 1 128 . 1 1 22 22 THR N N 15 107.6 0.2 . 1 . . . . . . . . 5807 1 129 . 1 1 22 22 THR H H 1 7.77 0.03 . 1 . . . . . . . . 5807 1 130 . 1 1 22 22 THR HA H 1 5.88 0.03 . 1 . . . . . . . . 5807 1 131 . 1 1 22 22 THR HB H 1 3.86 0.03 . 1 . . . . . . . . 5807 1 132 . 1 1 22 22 THR HG21 H 1 1.04 0.03 . 1 . . . . . . . . 5807 1 133 . 1 1 22 22 THR HG22 H 1 1.04 0.03 . 1 . . . . . . . . 5807 1 134 . 1 1 22 22 THR HG23 H 1 1.04 0.03 . 1 . . . . . . . . 5807 1 135 . 1 1 23 23 ALA N N 15 123.0 0.2 . 1 . . . . . . . . 5807 1 136 . 1 1 23 23 ALA H H 1 8.58 0.03 . 1 . . . . . . . . 5807 1 137 . 1 1 23 23 ALA HA H 1 4.87 0.03 . 1 . . . . . . . . 5807 1 138 . 1 1 23 23 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 5807 1 139 . 1 1 23 23 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5807 1 140 . 1 1 23 23 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 5807 1 141 . 1 1 24 24 PRO HA H 1 4.88 0.03 . 1 . . . . . . . . 5807 1 142 . 1 1 24 24 PRO HB2 H 1 2.44 0.03 . 2 . . . . . . . . 5807 1 143 . 1 1 24 24 PRO HB3 H 1 1.83 0.03 . 2 . . . . . . . . 5807 1 144 . 1 1 24 24 PRO HG2 H 1 1.44 0.03 . 2 . . . . . . . . 5807 1 145 . 1 1 24 24 PRO HG3 H 1 2.17 0.03 . 2 . . . . . . . . 5807 1 146 . 1 1 24 24 PRO HD2 H 1 3.67 0.03 . 2 . . . . . . . . 5807 1 147 . 1 1 24 24 PRO HD3 H 1 3.81 0.03 . 2 . . . . . . . . 5807 1 148 . 1 1 25 25 GLY N N 15 108.3 0.2 . 1 . . . . . . . . 5807 1 149 . 1 1 25 25 GLY H H 1 8.04 0.03 . 1 . . . . . . . . 5807 1 150 . 1 1 25 25 GLY HA2 H 1 4.54 0.03 . 2 . . . . . . . . 5807 1 151 . 1 1 25 25 GLY HA3 H 1 3.34 0.03 . 2 . . . . . . . . 5807 1 152 . 1 1 26 26 GLY N N 15 111.7 0.2 . 1 . . . . . . . . 5807 1 153 . 1 1 26 26 GLY H H 1 8.82 0.03 . 1 . . . . . . . . 5807 1 154 . 1 1 26 26 GLY HA2 H 1 3.08 0.03 . 2 . . . . . . . . 5807 1 155 . 1 1 26 26 GLY HA3 H 1 4.67 0.03 . 2 . . . . . . . . 5807 1 156 . 1 1 27 27 LEU N N 15 119.8 0.2 . 1 . . . . . . . . 5807 1 157 . 1 1 27 27 LEU H H 1 8.32 0.03 . 1 . . . . . . . . 5807 1 158 . 1 1 27 27 LEU HA H 1 4.28 0.03 . 1 . . . . . . . . 5807 1 159 . 1 1 27 27 LEU HB2 H 1 1.71 0.03 . 2 . . . . . . . . 5807 1 160 . 1 1 27 27 LEU HB3 H 1 1.29 0.03 . 2 . . . . . . . . 5807 1 161 . 1 1 27 27 LEU HG H 1 1.64 0.03 . 1 . . . . . . . . 5807 1 162 . 1 1 27 27 LEU HD11 H 1 0.73 0.03 . 2 . . . . . . . . 5807 1 163 . 1 1 27 27 LEU HD12 H 1 0.73 0.03 . 2 . . . . . . . . 5807 1 164 . 1 1 27 27 LEU HD13 H 1 0.73 0.03 . 2 . . . . . . . . 5807 1 165 . 1 1 27 27 LEU HD21 H 1 0.79 0.03 . 2 . . . . . . . . 5807 1 166 . 1 1 27 27 LEU HD22 H 1 0.79 0.03 . 2 . . . . . . . . 5807 1 167 . 1 1 27 27 LEU HD23 H 1 0.79 0.03 . 2 . . . . . . . . 5807 1 168 . 1 1 28 28 SER N N 15 112.7 0.2 . 1 . . . . . . . . 5807 1 169 . 1 1 28 28 SER H H 1 8.43 0.03 . 1 . . . . . . . . 5807 1 170 . 1 1 28 28 SER HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 171 . 1 1 28 28 SER HB2 H 1 3.89 0.03 . 2 . . . . . . . . 5807 1 172 . 1 1 28 28 SER HB3 H 1 4.48 0.03 . 2 . . . . . . . . 5807 1 173 . 1 1 29 29 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 5807 1 174 . 1 1 29 29 ALA H H 1 7.63 0.03 . 1 . . . . . . . . 5807 1 175 . 1 1 29 29 ALA HA H 1 4.47 0.03 . 1 . . . . . . . . 5807 1 176 . 1 1 29 29 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 5807 1 177 . 1 1 29 29 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 5807 1 178 . 1 1 29 29 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 5807 1 179 . 1 1 30 30 LYS N N 15 117.4 0.2 . 1 . . . . . . . . 5807 1 180 . 1 1 30 30 LYS H H 1 8.17 0.03 . 1 . . . . . . . . 5807 1 181 . 1 1 30 30 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 5807 1 182 . 1 1 30 30 LYS HB2 H 1 1.77 0.03 . 1 . . . . . . . . 5807 1 183 . 1 1 30 30 LYS HB3 H 1 1.77 0.03 . 1 . . . . . . . . 5807 1 184 . 1 1 30 30 LYS HG2 H 1 1.48 0.03 . 1 . . . . . . . . 5807 1 185 . 1 1 30 30 LYS HG3 H 1 1.48 0.03 . 1 . . . . . . . . 5807 1 186 . 1 1 30 30 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 5807 1 187 . 1 1 30 30 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 5807 1 188 . 1 1 30 30 LYS HE2 H 1 2.89 0.03 . 1 . . . . . . . . 5807 1 189 . 1 1 30 30 LYS HE3 H 1 2.89 0.03 . 1 . . . . . . . . 5807 1 190 . 1 1 31 31 ALA N N 15 127.4 0.2 . 1 . . . . . . . . 5807 1 191 . 1 1 31 31 ALA H H 1 8.96 0.03 . 1 . . . . . . . . 5807 1 192 . 1 1 31 31 ALA HA H 1 4.98 0.03 . 1 . . . . . . . . 5807 1 193 . 1 1 31 31 ALA HB1 H 1 1.25 0.03 . 1 . . . . . . . . 5807 1 194 . 1 1 31 31 ALA HB2 H 1 1.25 0.03 . 1 . . . . . . . . 5807 1 195 . 1 1 31 31 ALA HB3 H 1 1.25 0.03 . 1 . . . . . . . . 5807 1 196 . 1 1 32 32 PRO HA H 1 4.50 0.03 . 1 . . . . . . . . 5807 1 197 . 1 1 32 32 PRO HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5807 1 198 . 1 1 32 32 PRO HB3 H 1 2.22 0.03 . 2 . . . . . . . . 5807 1 199 . 1 1 32 32 PRO HG2 H 1 1.77 0.03 . 2 . . . . . . . . 5807 1 200 . 1 1 32 32 PRO HG3 H 1 1.86 0.03 . 2 . . . . . . . . 5807 1 201 . 1 1 32 32 PRO HD2 H 1 3.51 0.03 . 2 . . . . . . . . 5807 1 202 . 1 1 32 32 PRO HD3 H 1 3.62 0.03 . 2 . . . . . . . . 5807 1 203 . 1 1 33 33 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 5807 1 204 . 1 1 33 33 ALA H H 1 8.55 0.03 . 1 . . . . . . . . 5807 1 205 . 1 1 33 33 ALA HA H 1 3.48 0.03 . 1 . . . . . . . . 5807 1 206 . 1 1 33 33 ALA HB1 H 1 1.17 0.03 . 1 . . . . . . . . 5807 1 207 . 1 1 33 33 ALA HB2 H 1 1.17 0.03 . 1 . . . . . . . . 5807 1 208 . 1 1 33 33 ALA HB3 H 1 1.17 0.03 . 1 . . . . . . . . 5807 1 209 . 1 1 34 34 MET N N 15 106.3 0.2 . 1 . . . . . . . . 5807 1 210 . 1 1 34 34 MET H H 1 8.99 0.03 . 1 . . . . . . . . 5807 1 211 . 1 1 34 34 MET HA H 1 4.04 0.03 . 1 . . . . . . . . 5807 1 212 . 1 1 34 34 MET HB2 H 1 2.15 0.03 . 2 . . . . . . . . 5807 1 213 . 1 1 34 34 MET HB3 H 1 2.29 0.03 . 2 . . . . . . . . 5807 1 214 . 1 1 34 34 MET HG2 H 1 2.83 0.03 . 1 . . . . . . . . 5807 1 215 . 1 1 34 34 MET HG3 H 1 2.83 0.03 . 1 . . . . . . . . 5807 1 216 . 1 1 34 34 MET HE1 H 1 1.74 0.03 . 1 . . . . . . . . 5807 1 217 . 1 1 34 34 MET HE2 H 1 1.74 0.03 . 1 . . . . . . . . 5807 1 218 . 1 1 34 34 MET HE3 H 1 1.74 0.03 . 1 . . . . . . . . 5807 1 219 . 1 1 35 35 THR N N 15 118.6 0.2 . 1 . . . . . . . . 5807 1 220 . 1 1 35 35 THR H H 1 7.27 0.03 . 1 . . . . . . . . 5807 1 221 . 1 1 35 35 THR HA H 1 4.44 0.03 . 1 . . . . . . . . 5807 1 222 . 1 1 35 35 THR HB H 1 3.93 0.03 . 1 . . . . . . . . 5807 1 223 . 1 1 35 35 THR HG21 H 1 1.34 0.03 . 1 . . . . . . . . 5807 1 224 . 1 1 35 35 THR HG22 H 1 1.34 0.03 . 1 . . . . . . . . 5807 1 225 . 1 1 35 35 THR HG23 H 1 1.34 0.03 . 1 . . . . . . . . 5807 1 226 . 1 1 36 36 PRO HA H 1 4.86 0.03 . 1 . . . . . . . . 5807 1 227 . 1 1 36 36 PRO HB2 H 1 1.23 0.03 . 2 . . . . . . . . 5807 1 228 . 1 1 36 36 PRO HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5807 1 229 . 1 1 36 36 PRO HG2 H 1 1.62 0.03 . 2 . . . . . . . . 5807 1 230 . 1 1 36 36 PRO HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5807 1 231 . 1 1 36 36 PRO HD2 H 1 4.03 0.03 . 2 . . . . . . . . 5807 1 232 . 1 1 36 36 PRO HD3 H 1 4.21 0.03 . 2 . . . . . . . . 5807 1 233 . 1 1 37 37 LEU N N 15 124.1 0.2 . 1 . . . . . . . . 5807 1 234 . 1 1 37 37 LEU H H 1 8.74 0.03 . 1 . . . . . . . . 5807 1 235 . 1 1 37 37 LEU HA H 1 5.23 0.03 . 1 . . . . . . . . 5807 1 236 . 1 1 37 37 LEU HB2 H 1 0.99 0.03 . 2 . . . . . . . . 5807 1 237 . 1 1 37 37 LEU HB3 H 1 1.22 0.03 . 2 . . . . . . . . 5807 1 238 . 1 1 37 37 LEU HG H 1 1.67 0.03 . 1 . . . . . . . . 5807 1 239 . 1 1 37 37 LEU HD11 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 240 . 1 1 37 37 LEU HD12 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 241 . 1 1 37 37 LEU HD13 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 242 . 1 1 37 37 LEU HD21 H 1 0.49 0.03 . 2 . . . . . . . . 5807 1 243 . 1 1 37 37 LEU HD22 H 1 0.49 0.03 . 2 . . . . . . . . 5807 1 244 . 1 1 37 37 LEU HD23 H 1 0.49 0.03 . 2 . . . . . . . . 5807 1 245 . 1 1 38 38 MET N N 15 118.8 0.2 . 1 . . . . . . . . 5807 1 246 . 1 1 38 38 MET H H 1 9.68 0.03 . 1 . . . . . . . . 5807 1 247 . 1 1 38 38 MET HA H 1 4.95 0.03 . 1 . . . . . . . . 5807 1 248 . 1 1 38 38 MET HB2 H 1 2.39 0.03 . 2 . . . . . . . . 5807 1 249 . 1 1 38 38 MET HB3 H 1 1.51 0.03 . 2 . . . . . . . . 5807 1 250 . 1 1 38 38 MET HG2 H 1 2.09 0.03 . 1 . . . . . . . . 5807 1 251 . 1 1 38 38 MET HG3 H 1 2.09 0.03 . 1 . . . . . . . . 5807 1 252 . 1 1 38 38 MET HE1 H 1 2.15 0.03 . 1 . . . . . . . . 5807 1 253 . 1 1 38 38 MET HE2 H 1 2.15 0.03 . 1 . . . . . . . . 5807 1 254 . 1 1 38 38 MET HE3 H 1 2.15 0.03 . 1 . . . . . . . . 5807 1 255 . 1 1 39 39 LEU N N 15 122.1 0.2 . 1 . . . . . . . . 5807 1 256 . 1 1 39 39 LEU H H 1 8.88 0.03 . 1 . . . . . . . . 5807 1 257 . 1 1 39 39 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 5807 1 258 . 1 1 39 39 LEU HB2 H 1 1.22 0.03 . 2 . . . . . . . . 5807 1 259 . 1 1 39 39 LEU HB3 H 1 1.49 0.03 . 2 . . . . . . . . 5807 1 260 . 1 1 39 39 LEU HG H 1 1.39 0.03 . 1 . . . . . . . . 5807 1 261 . 1 1 39 39 LEU HD11 H 1 0.61 0.03 . 2 . . . . . . . . 5807 1 262 . 1 1 39 39 LEU HD12 H 1 0.61 0.03 . 2 . . . . . . . . 5807 1 263 . 1 1 39 39 LEU HD13 H 1 0.61 0.03 . 2 . . . . . . . . 5807 1 264 . 1 1 39 39 LEU HD21 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 265 . 1 1 39 39 LEU HD22 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 266 . 1 1 39 39 LEU HD23 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 267 . 1 1 40 40 ASP N N 15 125.4 0.2 . 1 . . . . . . . . 5807 1 268 . 1 1 40 40 ASP H H 1 8.67 0.03 . 1 . . . . . . . . 5807 1 269 . 1 1 40 40 ASP HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 270 . 1 1 40 40 ASP HB2 H 1 2.56 0.03 . 2 . . . . . . . . 5807 1 271 . 1 1 40 40 ASP HB3 H 1 2.94 0.03 . 2 . . . . . . . . 5807 1 272 . 1 1 41 41 THR N N 15 118.7 0.2 . 1 . . . . . . . . 5807 1 273 . 1 1 41 41 THR H H 1 8.54 0.03 . 1 . . . . . . . . 5807 1 274 . 1 1 41 41 THR HA H 1 4.24 0.03 . 1 . . . . . . . . 5807 1 275 . 1 1 41 41 THR HB H 1 3.78 0.03 . 1 . . . . . . . . 5807 1 276 . 1 1 41 41 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 277 . 1 1 41 41 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 278 . 1 1 41 41 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 279 . 1 1 42 42 SER N N 15 116.1 0.2 . 1 . . . . . . . . 5807 1 280 . 1 1 42 42 SER H H 1 8.40 0.03 . 1 . . . . . . . . 5807 1 281 . 1 1 42 42 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 5807 1 282 . 1 1 42 42 SER HB2 H 1 3.80 0.03 . 2 . . . . . . . . 5807 1 283 . 1 1 42 42 SER HB3 H 1 3.89 0.03 . 2 . . . . . . . . 5807 1 284 . 1 1 43 43 SER N N 15 115.1 0.2 . 1 . . . . . . . . 5807 1 285 . 1 1 43 43 SER H H 1 8.04 0.03 . 1 . . . . . . . . 5807 1 286 . 1 1 43 43 SER HA H 1 4.26 0.03 . 1 . . . . . . . . 5807 1 287 . 1 1 43 43 SER HB2 H 1 3.77 0.03 . 2 . . . . . . . . 5807 1 288 . 1 1 43 43 SER HB3 H 1 3.87 0.03 . 2 . . . . . . . . 5807 1 289 . 1 1 44 44 ARG N N 15 116.7 0.2 . 1 . . . . . . . . 5807 1 290 . 1 1 44 44 ARG H H 1 8.33 0.03 . 1 . . . . . . . . 5807 1 291 . 1 1 44 44 ARG HA H 1 3.77 0.03 . 1 . . . . . . . . 5807 1 292 . 1 1 44 44 ARG HB2 H 1 1.53 0.03 . 2 . . . . . . . . 5807 1 293 . 1 1 44 44 ARG HB3 H 1 1.98 0.03 . 2 . . . . . . . . 5807 1 294 . 1 1 44 44 ARG HG2 H 1 0.61 0.03 . 2 . . . . . . . . 5807 1 295 . 1 1 44 44 ARG HG3 H 1 1.44 0.03 . 2 . . . . . . . . 5807 1 296 . 1 1 44 44 ARG HD2 H 1 3.10 0.03 . 1 . . . . . . . . 5807 1 297 . 1 1 44 44 ARG HD3 H 1 3.10 0.03 . 1 . . . . . . . . 5807 1 298 . 1 1 44 44 ARG NE N 15 84.3 0.2 . 1 . . . . . . . . 5807 1 299 . 1 1 44 44 ARG HE H 1 7.14 0.03 . 1 . . . . . . . . 5807 1 300 . 1 1 45 45 LYS N N 15 116.9 0.2 . 1 . . . . . . . . 5807 1 301 . 1 1 45 45 LYS H H 1 7.52 0.03 . 1 . . . . . . . . 5807 1 302 . 1 1 45 45 LYS HA H 1 4.27 0.03 . 1 . . . . . . . . 5807 1 303 . 1 1 45 45 LYS HB2 H 1 1.23 0.03 . 2 . . . . . . . . 5807 1 304 . 1 1 45 45 LYS HB3 H 1 1.43 0.03 . 2 . . . . . . . . 5807 1 305 . 1 1 45 45 LYS HG2 H 1 0.95 0.03 . 1 . . . . . . . . 5807 1 306 . 1 1 45 45 LYS HG3 H 1 0.95 0.03 . 1 . . . . . . . . 5807 1 307 . 1 1 45 45 LYS HD2 H 1 1.18 0.03 . 1 . . . . . . . . 5807 1 308 . 1 1 45 45 LYS HD3 H 1 1.18 0.03 . 1 . . . . . . . . 5807 1 309 . 1 1 45 45 LYS HE2 H 1 2.87 0.03 . 1 . . . . . . . . 5807 1 310 . 1 1 45 45 LYS HE3 H 1 2.87 0.03 . 1 . . . . . . . . 5807 1 311 . 1 1 46 46 LEU N N 15 119.1 0.2 . 1 . . . . . . . . 5807 1 312 . 1 1 46 46 LEU H H 1 8.22 0.03 . 1 . . . . . . . . 5807 1 313 . 1 1 46 46 LEU HA H 1 4.74 0.03 . 1 . . . . . . . . 5807 1 314 . 1 1 46 46 LEU HB2 H 1 0.83 0.03 . 2 . . . . . . . . 5807 1 315 . 1 1 46 46 LEU HB3 H 1 1.60 0.03 . 2 . . . . . . . . 5807 1 316 . 1 1 46 46 LEU HG H 1 1.36 0.03 . 1 . . . . . . . . 5807 1 317 . 1 1 46 46 LEU HD11 H 1 -0.02 0.03 . 2 . . . . . . . . 5807 1 318 . 1 1 46 46 LEU HD12 H 1 -0.02 0.03 . 2 . . . . . . . . 5807 1 319 . 1 1 46 46 LEU HD13 H 1 -0.02 0.03 . 2 . . . . . . . . 5807 1 320 . 1 1 46 46 LEU HD21 H 1 0.13 0.03 . 2 . . . . . . . . 5807 1 321 . 1 1 46 46 LEU HD22 H 1 0.13 0.03 . 2 . . . . . . . . 5807 1 322 . 1 1 46 46 LEU HD23 H 1 0.13 0.03 . 2 . . . . . . . . 5807 1 323 . 1 1 47 47 VAL N N 15 113.6 0.2 . 1 . . . . . . . . 5807 1 324 . 1 1 47 47 VAL H H 1 8.82 0.03 . 1 . . . . . . . . 5807 1 325 . 1 1 47 47 VAL HA H 1 4.42 0.03 . 1 . . . . . . . . 5807 1 326 . 1 1 47 47 VAL HB H 1 2.22 0.03 . 1 . . . . . . . . 5807 1 327 . 1 1 47 47 VAL HG11 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 328 . 1 1 47 47 VAL HG12 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 329 . 1 1 47 47 VAL HG13 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 330 . 1 1 47 47 VAL HG21 H 1 0.64 0.03 . 2 . . . . . . . . 5807 1 331 . 1 1 47 47 VAL HG22 H 1 0.64 0.03 . 2 . . . . . . . . 5807 1 332 . 1 1 47 47 VAL HG23 H 1 0.64 0.03 . 2 . . . . . . . . 5807 1 333 . 1 1 48 48 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 5807 1 334 . 1 1 48 48 ALA H H 1 8.60 0.03 . 1 . . . . . . . . 5807 1 335 . 1 1 48 48 ALA HA H 1 4.28 0.03 . 1 . . . . . . . . 5807 1 336 . 1 1 48 48 ALA HB1 H 1 1.27 0.03 . 1 . . . . . . . . 5807 1 337 . 1 1 48 48 ALA HB2 H 1 1.27 0.03 . 1 . . . . . . . . 5807 1 338 . 1 1 48 48 ALA HB3 H 1 1.27 0.03 . 1 . . . . . . . . 5807 1 339 . 1 1 49 49 TRP N N 15 122.1 0.2 . 1 . . . . . . . . 5807 1 340 . 1 1 49 49 TRP H H 1 8.93 0.03 . 1 . . . . . . . . 5807 1 341 . 1 1 49 49 TRP HA H 1 4.44 0.03 . 1 . . . . . . . . 5807 1 342 . 1 1 49 49 TRP HB2 H 1 1.28 0.03 . 2 . . . . . . . . 5807 1 343 . 1 1 49 49 TRP HB3 H 1 3.03 0.03 . 2 . . . . . . . . 5807 1 344 . 1 1 49 49 TRP NE1 N 15 132.9 0.2 . 1 . . . . . . . . 5807 1 345 . 1 1 49 49 TRP HD1 H 1 7.59 0.03 . 1 . . . . . . . . 5807 1 346 . 1 1 49 49 TRP HE3 H 1 7.29 0.03 . 1 . . . . . . . . 5807 1 347 . 1 1 49 49 TRP HE1 H 1 10.94 0.03 . 1 . . . . . . . . 5807 1 348 . 1 1 49 49 TRP HZ3 H 1 7.24 0.03 . 1 . . . . . . . . 5807 1 349 . 1 1 49 49 TRP HZ2 H 1 7.43 0.03 . 1 . . . . . . . . 5807 1 350 . 1 1 49 49 TRP HH2 H 1 6.89 0.03 . 1 . . . . . . . . 5807 1 351 . 1 1 50 50 ASP N N 15 129.4 0.2 . 1 . . . . . . . . 5807 1 352 . 1 1 50 50 ASP H H 1 7.07 0.03 . 1 . . . . . . . . 5807 1 353 . 1 1 50 50 ASP HA H 1 3.94 0.03 . 1 . . . . . . . . 5807 1 354 . 1 1 50 50 ASP HB2 H 1 2.52 0.03 . 2 . . . . . . . . 5807 1 355 . 1 1 50 50 ASP HB3 H 1 2.73 0.03 . 2 . . . . . . . . 5807 1 356 . 1 1 51 51 GLY HA2 H 1 0.97 0.03 . 2 . . . . . . . . 5807 1 357 . 1 1 51 51 GLY HA3 H 1 3.09 0.03 . 2 . . . . . . . . 5807 1 358 . 1 1 52 52 THR N N 15 108.8 0.2 . 1 . . . . . . . . 5807 1 359 . 1 1 52 52 THR H H 1 7.60 0.03 . 1 . . . . . . . . 5807 1 360 . 1 1 52 52 THR HA H 1 4.15 0.03 . 1 . . . . . . . . 5807 1 361 . 1 1 52 52 THR HB H 1 3.96 0.03 . 1 . . . . . . . . 5807 1 362 . 1 1 52 52 THR HG21 H 1 0.80 0.03 . 1 . . . . . . . . 5807 1 363 . 1 1 52 52 THR HG22 H 1 0.80 0.03 . 1 . . . . . . . . 5807 1 364 . 1 1 52 52 THR HG23 H 1 0.80 0.03 . 1 . . . . . . . . 5807 1 365 . 1 1 53 53 THR N N 15 123.5 0.2 . 1 . . . . . . . . 5807 1 366 . 1 1 53 53 THR H H 1 9.46 0.03 . 1 . . . . . . . . 5807 1 367 . 1 1 53 53 THR HA H 1 4.18 0.03 . 1 . . . . . . . . 5807 1 368 . 1 1 53 53 THR HB H 1 4.27 0.03 . 1 . . . . . . . . 5807 1 369 . 1 1 53 53 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 5807 1 370 . 1 1 53 53 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 5807 1 371 . 1 1 53 53 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 5807 1 372 . 1 1 54 54 ASP N N 15 129.4 0.2 . 1 . . . . . . . . 5807 1 373 . 1 1 54 54 ASP H H 1 8.68 0.03 . 1 . . . . . . . . 5807 1 374 . 1 1 54 54 ASP HA H 1 4.58 0.03 . 1 . . . . . . . . 5807 1 375 . 1 1 54 54 ASP HB2 H 1 2.51 0.03 . 2 . . . . . . . . 5807 1 376 . 1 1 54 54 ASP HB3 H 1 2.58 0.03 . 2 . . . . . . . . 5807 1 377 . 1 1 55 55 GLY N N 15 109.7 0.2 . 1 . . . . . . . . 5807 1 378 . 1 1 55 55 GLY H H 1 8.82 0.03 . 1 . . . . . . . . 5807 1 379 . 1 1 55 55 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 5807 1 380 . 1 1 55 55 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5807 1 381 . 1 1 56 56 ALA N N 15 118.3 0.2 . 1 . . . . . . . . 5807 1 382 . 1 1 56 56 ALA H H 1 6.94 0.03 . 1 . . . . . . . . 5807 1 383 . 1 1 56 56 ALA HA H 1 4.46 0.03 . 1 . . . . . . . . 5807 1 384 . 1 1 56 56 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 5807 1 385 . 1 1 56 56 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 5807 1 386 . 1 1 56 56 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 5807 1 387 . 1 1 57 57 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 5807 1 388 . 1 1 57 57 ALA H H 1 7.77 0.03 . 1 . . . . . . . . 5807 1 389 . 1 1 57 57 ALA HA H 1 4.16 0.03 . 1 . . . . . . . . 5807 1 390 . 1 1 57 57 ALA HB1 H 1 -0.39 0.03 . 1 . . . . . . . . 5807 1 391 . 1 1 57 57 ALA HB2 H 1 -0.39 0.03 . 1 . . . . . . . . 5807 1 392 . 1 1 57 57 ALA HB3 H 1 -0.39 0.03 . 1 . . . . . . . . 5807 1 393 . 1 1 58 58 VAL N N 15 113.3 0.2 . 1 . . . . . . . . 5807 1 394 . 1 1 58 58 VAL H H 1 8.49 0.03 . 1 . . . . . . . . 5807 1 395 . 1 1 58 58 VAL HA H 1 4.56 0.03 . 1 . . . . . . . . 5807 1 396 . 1 1 58 58 VAL HB H 1 2.17 0.03 . 1 . . . . . . . . 5807 1 397 . 1 1 58 58 VAL HG11 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 398 . 1 1 58 58 VAL HG12 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 399 . 1 1 58 58 VAL HG13 H 1 0.75 0.03 . 2 . . . . . . . . 5807 1 400 . 1 1 58 58 VAL HG21 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 401 . 1 1 58 58 VAL HG22 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 402 . 1 1 58 58 VAL HG23 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 403 . 1 1 59 59 GLY N N 15 103.0 0.2 . 1 . . . . . . . . 5807 1 404 . 1 1 59 59 GLY H H 1 7.29 0.03 . 1 . . . . . . . . 5807 1 405 . 1 1 59 59 GLY HA2 H 1 4.59 0.03 . 2 . . . . . . . . 5807 1 406 . 1 1 59 59 GLY HA3 H 1 4.02 0.03 . 2 . . . . . . . . 5807 1 407 . 1 1 60 60 ILE N N 15 119.5 0.2 . 1 . . . . . . . . 5807 1 408 . 1 1 60 60 ILE H H 1 8.16 0.03 . 1 . . . . . . . . 5807 1 409 . 1 1 60 60 ILE HA H 1 4.28 0.03 . 1 . . . . . . . . 5807 1 410 . 1 1 60 60 ILE HB H 1 1.06 0.03 . 1 . . . . . . . . 5807 1 411 . 1 1 60 60 ILE HG21 H 1 0.17 0.03 . 1 . . . . . . . . 5807 1 412 . 1 1 60 60 ILE HG22 H 1 0.17 0.03 . 1 . . . . . . . . 5807 1 413 . 1 1 60 60 ILE HG23 H 1 0.17 0.03 . 1 . . . . . . . . 5807 1 414 . 1 1 60 60 ILE HG12 H 1 0.42 0.03 . 2 . . . . . . . . 5807 1 415 . 1 1 60 60 ILE HG13 H 1 0.91 0.03 . 2 . . . . . . . . 5807 1 416 . 1 1 60 60 ILE HD11 H 1 -0.61 0.03 . 1 . . . . . . . . 5807 1 417 . 1 1 60 60 ILE HD12 H 1 -0.61 0.03 . 1 . . . . . . . . 5807 1 418 . 1 1 60 60 ILE HD13 H 1 -0.61 0.03 . 1 . . . . . . . . 5807 1 419 . 1 1 61 61 LEU N N 15 130.1 0.2 . 1 . . . . . . . . 5807 1 420 . 1 1 61 61 LEU H H 1 8.94 0.03 . 1 . . . . . . . . 5807 1 421 . 1 1 61 61 LEU HA H 1 3.92 0.03 . 1 . . . . . . . . 5807 1 422 . 1 1 61 61 LEU HB2 H 1 1.37 0.03 . 2 . . . . . . . . 5807 1 423 . 1 1 61 61 LEU HB3 H 1 1.93 0.03 . 2 . . . . . . . . 5807 1 424 . 1 1 61 61 LEU HG H 1 1.15 0.03 . 1 . . . . . . . . 5807 1 425 . 1 1 61 61 LEU HD11 H 1 0.86 0.03 . 2 . . . . . . . . 5807 1 426 . 1 1 61 61 LEU HD12 H 1 0.86 0.03 . 2 . . . . . . . . 5807 1 427 . 1 1 61 61 LEU HD13 H 1 0.86 0.03 . 2 . . . . . . . . 5807 1 428 . 1 1 61 61 LEU HD21 H 1 1.53 0.03 . 2 . . . . . . . . 5807 1 429 . 1 1 61 61 LEU HD22 H 1 1.53 0.03 . 2 . . . . . . . . 5807 1 430 . 1 1 61 61 LEU HD23 H 1 1.53 0.03 . 2 . . . . . . . . 5807 1 431 . 1 1 62 62 ALA N N 15 128.0 0.2 . 1 . . . . . . . . 5807 1 432 . 1 1 62 62 ALA H H 1 9.21 0.03 . 1 . . . . . . . . 5807 1 433 . 1 1 62 62 ALA HA H 1 4.45 0.03 . 1 . . . . . . . . 5807 1 434 . 1 1 62 62 ALA HB1 H 1 0.43 0.03 . 1 . . . . . . . . 5807 1 435 . 1 1 62 62 ALA HB2 H 1 0.43 0.03 . 1 . . . . . . . . 5807 1 436 . 1 1 62 62 ALA HB3 H 1 0.43 0.03 . 1 . . . . . . . . 5807 1 437 . 1 1 63 63 VAL N N 15 117.5 0.2 . 1 . . . . . . . . 5807 1 438 . 1 1 63 63 VAL H H 1 6.76 0.03 . 1 . . . . . . . . 5807 1 439 . 1 1 63 63 VAL HA H 1 4.04 0.03 . 1 . . . . . . . . 5807 1 440 . 1 1 63 63 VAL HB H 1 1.93 0.03 . 1 . . . . . . . . 5807 1 441 . 1 1 63 63 VAL HG11 H 1 0.74 0.03 . 2 . . . . . . . . 5807 1 442 . 1 1 63 63 VAL HG12 H 1 0.74 0.03 . 2 . . . . . . . . 5807 1 443 . 1 1 63 63 VAL HG13 H 1 0.74 0.03 . 2 . . . . . . . . 5807 1 444 . 1 1 63 63 VAL HG21 H 1 1.00 0.03 . 2 . . . . . . . . 5807 1 445 . 1 1 63 63 VAL HG22 H 1 1.00 0.03 . 2 . . . . . . . . 5807 1 446 . 1 1 63 63 VAL HG23 H 1 1.00 0.03 . 2 . . . . . . . . 5807 1 447 . 1 1 64 64 ALA N N 15 127.9 0.2 . 1 . . . . . . . . 5807 1 448 . 1 1 64 64 ALA H H 1 8.59 0.03 . 1 . . . . . . . . 5807 1 449 . 1 1 64 64 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 5807 1 450 . 1 1 64 64 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 5807 1 451 . 1 1 64 64 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 5807 1 452 . 1 1 64 64 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 5807 1 453 . 1 1 65 65 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 5807 1 454 . 1 1 65 65 ALA H H 1 8.33 0.03 . 1 . . . . . . . . 5807 1 455 . 1 1 65 65 ALA HA H 1 4.64 0.03 . 1 . . . . . . . . 5807 1 456 . 1 1 65 65 ALA HB1 H 1 1.47 0.03 . 1 . . . . . . . . 5807 1 457 . 1 1 65 65 ALA HB2 H 1 1.47 0.03 . 1 . . . . . . . . 5807 1 458 . 1 1 65 65 ALA HB3 H 1 1.47 0.03 . 1 . . . . . . . . 5807 1 459 . 1 1 66 66 ASP N N 15 117.8 0.2 . 1 . . . . . . . . 5807 1 460 . 1 1 66 66 ASP H H 1 8.64 0.03 . 1 . . . . . . . . 5807 1 461 . 1 1 66 66 ASP HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 462 . 1 1 66 66 ASP HB2 H 1 2.62 0.03 . 2 . . . . . . . . 5807 1 463 . 1 1 66 66 ASP HB3 H 1 2.90 0.03 . 2 . . . . . . . . 5807 1 464 . 1 1 67 67 GLN N N 15 118.2 0.2 . 1 . . . . . . . . 5807 1 465 . 1 1 67 67 GLN H H 1 9.34 0.03 . 1 . . . . . . . . 5807 1 466 . 1 1 67 67 GLN HA H 1 4.25 0.03 . 1 . . . . . . . . 5807 1 467 . 1 1 67 67 GLN HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5807 1 468 . 1 1 67 67 GLN HB3 H 1 1.71 0.03 . 2 . . . . . . . . 5807 1 469 . 1 1 67 67 GLN HG2 H 1 2.16 0.03 . 2 . . . . . . . . 5807 1 470 . 1 1 67 67 GLN HG3 H 1 2.41 0.03 . 2 . . . . . . . . 5807 1 471 . 1 1 67 67 GLN NE2 N 15 111.3 0.2 . 1 . . . . . . . . 5807 1 472 . 1 1 67 67 GLN HE21 H 1 6.73 0.03 . 2 . . . . . . . . 5807 1 473 . 1 1 67 67 GLN HE22 H 1 7.51 0.03 . 2 . . . . . . . . 5807 1 474 . 1 1 68 68 THR N N 15 112.7 0.2 . 1 . . . . . . . . 5807 1 475 . 1 1 68 68 THR H H 1 8.94 0.03 . 1 . . . . . . . . 5807 1 476 . 1 1 68 68 THR HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 477 . 1 1 68 68 THR HB H 1 4.30 0.03 . 1 . . . . . . . . 5807 1 478 . 1 1 68 68 THR HG21 H 1 1.12 0.03 . 1 . . . . . . . . 5807 1 479 . 1 1 68 68 THR HG22 H 1 1.12 0.03 . 1 . . . . . . . . 5807 1 480 . 1 1 68 68 THR HG23 H 1 1.12 0.03 . 1 . . . . . . . . 5807 1 481 . 1 1 69 69 SER N N 15 120.2 0.2 . 1 . . . . . . . . 5807 1 482 . 1 1 69 69 SER H H 1 7.69 0.03 . 1 . . . . . . . . 5807 1 483 . 1 1 69 69 SER HA H 1 4.46 0.03 . 1 . . . . . . . . 5807 1 484 . 1 1 69 69 SER HB2 H 1 3.92 0.03 . 2 . . . . . . . . 5807 1 485 . 1 1 69 69 SER HB3 H 1 3.94 0.03 . 2 . . . . . . . . 5807 1 486 . 1 1 69 69 SER HG H 1 5.56 0.03 . 1 . . . . . . . . 5807 1 487 . 1 1 70 70 THR N N 15 119.7 0.2 . 1 . . . . . . . . 5807 1 488 . 1 1 70 70 THR H H 1 8.50 0.03 . 1 . . . . . . . . 5807 1 489 . 1 1 70 70 THR HA H 1 4.69 0.03 . 1 . . . . . . . . 5807 1 490 . 1 1 70 70 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 5807 1 491 . 1 1 70 70 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 5807 1 492 . 1 1 70 70 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 5807 1 493 . 1 1 70 70 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 5807 1 494 . 1 1 71 71 THR N N 15 116.4 0.2 . 1 . . . . . . . . 5807 1 495 . 1 1 71 71 THR H H 1 7.86 0.03 . 1 . . . . . . . . 5807 1 496 . 1 1 71 71 THR HA H 1 4.71 0.03 . 1 . . . . . . . . 5807 1 497 . 1 1 71 71 THR HB H 1 3.79 0.03 . 1 . . . . . . . . 5807 1 498 . 1 1 71 71 THR HG21 H 1 1.03 0.03 . 1 . . . . . . . . 5807 1 499 . 1 1 71 71 THR HG22 H 1 1.03 0.03 . 1 . . . . . . . . 5807 1 500 . 1 1 71 71 THR HG23 H 1 1.03 0.03 . 1 . . . . . . . . 5807 1 501 . 1 1 72 72 LEU N N 15 122.8 0.2 . 1 . . . . . . . . 5807 1 502 . 1 1 72 72 LEU H H 1 9.15 0.03 . 1 . . . . . . . . 5807 1 503 . 1 1 72 72 LEU HA H 1 4.83 0.03 . 1 . . . . . . . . 5807 1 504 . 1 1 72 72 LEU HB2 H 1 1.48 0.03 . 2 . . . . . . . . 5807 1 505 . 1 1 72 72 LEU HB3 H 1 1.25 0.03 . 2 . . . . . . . . 5807 1 506 . 1 1 72 72 LEU HG H 1 1.03 0.03 . 1 . . . . . . . . 5807 1 507 . 1 1 72 72 LEU HD11 H 1 0.71 0.03 . 2 . . . . . . . . 5807 1 508 . 1 1 72 72 LEU HD12 H 1 0.71 0.03 . 2 . . . . . . . . 5807 1 509 . 1 1 72 72 LEU HD13 H 1 0.71 0.03 . 2 . . . . . . . . 5807 1 510 . 1 1 72 72 LEU HD21 H 1 0.78 0.03 . 2 . . . . . . . . 5807 1 511 . 1 1 72 72 LEU HD22 H 1 0.78 0.03 . 2 . . . . . . . . 5807 1 512 . 1 1 72 72 LEU HD23 H 1 0.78 0.03 . 2 . . . . . . . . 5807 1 513 . 1 1 73 73 THR N N 15 118.1 0.2 . 1 . . . . . . . . 5807 1 514 . 1 1 73 73 THR H H 1 9.17 0.03 . 1 . . . . . . . . 5807 1 515 . 1 1 73 73 THR HA H 1 5.04 0.03 . 1 . . . . . . . . 5807 1 516 . 1 1 73 73 THR HB H 1 3.74 0.03 . 1 . . . . . . . . 5807 1 517 . 1 1 73 73 THR HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5807 1 518 . 1 1 73 73 THR HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5807 1 519 . 1 1 73 73 THR HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5807 1 520 . 1 1 74 74 PHE N N 15 123.8 0.2 . 1 . . . . . . . . 5807 1 521 . 1 1 74 74 PHE H H 1 9.20 0.03 . 1 . . . . . . . . 5807 1 522 . 1 1 74 74 PHE HA H 1 4.98 0.03 . 1 . . . . . . . . 5807 1 523 . 1 1 74 74 PHE HB2 H 1 2.51 0.03 . 2 . . . . . . . . 5807 1 524 . 1 1 74 74 PHE HB3 H 1 2.35 0.03 . 2 . . . . . . . . 5807 1 525 . 1 1 74 74 PHE HD1 H 1 6.73 0.03 . 1 . . . . . . . . 5807 1 526 . 1 1 74 74 PHE HD2 H 1 6.73 0.03 . 1 . . . . . . . . 5807 1 527 . 1 1 74 74 PHE HE1 H 1 6.97 0.03 . 1 . . . . . . . . 5807 1 528 . 1 1 74 74 PHE HE2 H 1 6.97 0.03 . 1 . . . . . . . . 5807 1 529 . 1 1 74 74 PHE HZ H 1 7.11 0.03 . 1 . . . . . . . . 5807 1 530 . 1 1 75 75 TYR N N 15 118.7 0.2 . 1 . . . . . . . . 5807 1 531 . 1 1 75 75 TYR H H 1 9.56 0.03 . 1 . . . . . . . . 5807 1 532 . 1 1 75 75 TYR HA H 1 4.92 0.03 . 1 . . . . . . . . 5807 1 533 . 1 1 75 75 TYR HB2 H 1 2.51 0.03 . 2 . . . . . . . . 5807 1 534 . 1 1 75 75 TYR HB3 H 1 3.21 0.03 . 2 . . . . . . . . 5807 1 535 . 1 1 75 75 TYR HD1 H 1 6.77 0.03 . 1 . . . . . . . . 5807 1 536 . 1 1 75 75 TYR HD2 H 1 6.77 0.03 . 1 . . . . . . . . 5807 1 537 . 1 1 75 75 TYR HE1 H 1 6.79 0.03 . 1 . . . . . . . . 5807 1 538 . 1 1 75 75 TYR HE2 H 1 6.79 0.03 . 1 . . . . . . . . 5807 1 539 . 1 1 76 76 LYS N N 15 120.4 0.2 . 1 . . . . . . . . 5807 1 540 . 1 1 76 76 LYS H H 1 8.74 0.03 . 1 . . . . . . . . 5807 1 541 . 1 1 76 76 LYS HA H 1 4.83 0.03 . 1 . . . . . . . . 5807 1 542 . 1 1 76 76 LYS HB2 H 1 1.56 0.03 . 2 . . . . . . . . 5807 1 543 . 1 1 76 76 LYS HB3 H 1 1.95 0.03 . 2 . . . . . . . . 5807 1 544 . 1 1 76 76 LYS HG2 H 1 1.19 0.03 . 1 . . . . . . . . 5807 1 545 . 1 1 76 76 LYS HG3 H 1 1.19 0.03 . 1 . . . . . . . . 5807 1 546 . 1 1 76 76 LYS HD2 H 1 1.35 0.03 . 1 . . . . . . . . 5807 1 547 . 1 1 76 76 LYS HD3 H 1 1.35 0.03 . 1 . . . . . . . . 5807 1 548 . 1 1 76 76 LYS HE2 H 1 2.86 0.03 . 1 . . . . . . . . 5807 1 549 . 1 1 76 76 LYS HE3 H 1 2.86 0.03 . 1 . . . . . . . . 5807 1 550 . 1 1 77 77 SER N N 15 113.4 0.2 . 1 . . . . . . . . 5807 1 551 . 1 1 77 77 SER H H 1 7.96 0.03 . 1 . . . . . . . . 5807 1 552 . 1 1 77 77 SER HA H 1 4.28 0.03 . 1 . . . . . . . . 5807 1 553 . 1 1 77 77 SER HB2 H 1 3.77 0.03 . 2 . . . . . . . . 5807 1 554 . 1 1 77 77 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 5807 1 555 . 1 1 78 78 GLY N N 15 105.9 0.2 . 1 . . . . . . . . 5807 1 556 . 1 1 78 78 GLY H H 1 7.61 0.03 . 1 . . . . . . . . 5807 1 557 . 1 1 78 78 GLY HA2 H 1 3.45 0.03 . 2 . . . . . . . . 5807 1 558 . 1 1 78 78 GLY HA3 H 1 4.25 0.03 . 2 . . . . . . . . 5807 1 559 . 1 1 79 79 THR N N 15 114.9 0.2 . 1 . . . . . . . . 5807 1 560 . 1 1 79 79 THR H H 1 7.67 0.03 . 1 . . . . . . . . 5807 1 561 . 1 1 79 79 THR HA H 1 4.91 0.03 . 1 . . . . . . . . 5807 1 562 . 1 1 79 79 THR HB H 1 3.58 0.03 . 1 . . . . . . . . 5807 1 563 . 1 1 79 79 THR HG21 H 1 0.90 0.03 . 1 . . . . . . . . 5807 1 564 . 1 1 79 79 THR HG22 H 1 0.90 0.03 . 1 . . . . . . . . 5807 1 565 . 1 1 79 79 THR HG23 H 1 0.90 0.03 . 1 . . . . . . . . 5807 1 566 . 1 1 80 80 PHE N N 15 124.7 0.2 . 1 . . . . . . . . 5807 1 567 . 1 1 80 80 PHE H H 1 8.86 0.03 . 1 . . . . . . . . 5807 1 568 . 1 1 80 80 PHE HA H 1 4.48 0.03 . 1 . . . . . . . . 5807 1 569 . 1 1 80 80 PHE HB2 H 1 2.15 0.03 . 2 . . . . . . . . 5807 1 570 . 1 1 80 80 PHE HB3 H 1 2.49 0.03 . 2 . . . . . . . . 5807 1 571 . 1 1 80 80 PHE HD1 H 1 6.62 0.03 . 1 . . . . . . . . 5807 1 572 . 1 1 80 80 PHE HD2 H 1 6.62 0.03 . 1 . . . . . . . . 5807 1 573 . 1 1 80 80 PHE HE1 H 1 6.35 0.03 . 1 . . . . . . . . 5807 1 574 . 1 1 80 80 PHE HE2 H 1 6.35 0.03 . 1 . . . . . . . . 5807 1 575 . 1 1 80 80 PHE HZ H 1 6.13 0.03 . 1 . . . . . . . . 5807 1 576 . 1 1 81 81 ARG N N 15 121.0 0.2 . 1 . . . . . . . . 5807 1 577 . 1 1 81 81 ARG H H 1 9.02 0.03 . 1 . . . . . . . . 5807 1 578 . 1 1 81 81 ARG HA H 1 4.70 0.03 . 1 . . . . . . . . 5807 1 579 . 1 1 81 81 ARG HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5807 1 580 . 1 1 81 81 ARG HB3 H 1 2.05 0.03 . 2 . . . . . . . . 5807 1 581 . 1 1 81 81 ARG HG2 H 1 1.51 0.03 . 2 . . . . . . . . 5807 1 582 . 1 1 81 81 ARG HG3 H 1 1.70 0.03 . 2 . . . . . . . . 5807 1 583 . 1 1 81 81 ARG HD2 H 1 3.14 0.03 . 1 . . . . . . . . 5807 1 584 . 1 1 81 81 ARG HD3 H 1 3.14 0.03 . 1 . . . . . . . . 5807 1 585 . 1 1 81 81 ARG NE N 15 83.8 0.2 . 1 . . . . . . . . 5807 1 586 . 1 1 81 81 ARG HE H 1 7.35 0.03 . 1 . . . . . . . . 5807 1 587 . 1 1 82 82 TYR N N 15 125.5 0.2 . 1 . . . . . . . . 5807 1 588 . 1 1 82 82 TYR H H 1 9.52 0.03 . 1 . . . . . . . . 5807 1 589 . 1 1 82 82 TYR HA H 1 4.11 0.03 . 1 . . . . . . . . 5807 1 590 . 1 1 82 82 TYR HB2 H 1 3.10 0.03 . 2 . . . . . . . . 5807 1 591 . 1 1 82 82 TYR HB3 H 1 3.04 0.03 . 2 . . . . . . . . 5807 1 592 . 1 1 82 82 TYR HD1 H 1 6.95 0.03 . 1 . . . . . . . . 5807 1 593 . 1 1 82 82 TYR HD2 H 1 6.95 0.03 . 1 . . . . . . . . 5807 1 594 . 1 1 82 82 TYR HE1 H 1 6.44 0.03 . 1 . . . . . . . . 5807 1 595 . 1 1 82 82 TYR HE2 H 1 6.44 0.03 . 1 . . . . . . . . 5807 1 596 . 1 1 83 83 GLU N N 15 114.8 0.2 . 1 . . . . . . . . 5807 1 597 . 1 1 83 83 GLU H H 1 9.88 0.03 . 1 . . . . . . . . 5807 1 598 . 1 1 83 83 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 5807 1 599 . 1 1 83 83 GLU HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5807 1 600 . 1 1 83 83 GLU HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5807 1 601 . 1 1 83 83 GLU HG2 H 1 2.37 0.03 . 2 . . . . . . . . 5807 1 602 . 1 1 83 83 GLU HG3 H 1 2.42 0.03 . 2 . . . . . . . . 5807 1 603 . 1 1 84 84 ASP N N 15 117.8 0.2 . 1 . . . . . . . . 5807 1 604 . 1 1 84 84 ASP H H 1 7.87 0.03 . 1 . . . . . . . . 5807 1 605 . 1 1 84 84 ASP HA H 1 4.67 0.03 . 1 . . . . . . . . 5807 1 606 . 1 1 84 84 ASP HB2 H 1 2.73 0.03 . 2 . . . . . . . . 5807 1 607 . 1 1 84 84 ASP HB3 H 1 2.81 0.03 . 2 . . . . . . . . 5807 1 608 . 1 1 85 85 VAL N N 15 120.2 0.2 . 1 . . . . . . . . 5807 1 609 . 1 1 85 85 VAL H H 1 6.69 0.03 . 1 . . . . . . . . 5807 1 610 . 1 1 85 85 VAL HA H 1 3.34 0.03 . 1 . . . . . . . . 5807 1 611 . 1 1 85 85 VAL HB H 1 0.88 0.03 . 1 . . . . . . . . 5807 1 612 . 1 1 85 85 VAL HG11 H 1 -0.69 0.03 . 2 . . . . . . . . 5807 1 613 . 1 1 85 85 VAL HG12 H 1 -0.69 0.03 . 2 . . . . . . . . 5807 1 614 . 1 1 85 85 VAL HG13 H 1 -0.69 0.03 . 2 . . . . . . . . 5807 1 615 . 1 1 85 85 VAL HG21 H 1 0.41 0.03 . 2 . . . . . . . . 5807 1 616 . 1 1 85 85 VAL HG22 H 1 0.41 0.03 . 2 . . . . . . . . 5807 1 617 . 1 1 85 85 VAL HG23 H 1 0.41 0.03 . 2 . . . . . . . . 5807 1 618 . 1 1 86 86 LEU N N 15 128.6 0.2 . 1 . . . . . . . . 5807 1 619 . 1 1 86 86 LEU H H 1 7.54 0.03 . 1 . . . . . . . . 5807 1 620 . 1 1 86 86 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 5807 1 621 . 1 1 86 86 LEU HB2 H 1 1.29 0.03 . 2 . . . . . . . . 5807 1 622 . 1 1 86 86 LEU HB3 H 1 1.33 0.03 . 2 . . . . . . . . 5807 1 623 . 1 1 86 86 LEU HG H 1 1.19 0.03 . 1 . . . . . . . . 5807 1 624 . 1 1 86 86 LEU HD11 H 1 0.70 0.03 . 2 . . . . . . . . 5807 1 625 . 1 1 86 86 LEU HD12 H 1 0.70 0.03 . 2 . . . . . . . . 5807 1 626 . 1 1 86 86 LEU HD13 H 1 0.70 0.03 . 2 . . . . . . . . 5807 1 627 . 1 1 86 86 LEU HD21 H 1 0.84 0.03 . 2 . . . . . . . . 5807 1 628 . 1 1 86 86 LEU HD22 H 1 0.84 0.03 . 2 . . . . . . . . 5807 1 629 . 1 1 86 86 LEU HD23 H 1 0.84 0.03 . 2 . . . . . . . . 5807 1 630 . 1 1 87 87 TRP N N 15 124.3 0.2 . 1 . . . . . . . . 5807 1 631 . 1 1 87 87 TRP H H 1 7.31 0.03 . 1 . . . . . . . . 5807 1 632 . 1 1 87 87 TRP HA H 1 4.44 0.03 . 1 . . . . . . . . 5807 1 633 . 1 1 87 87 TRP HB2 H 1 2.99 0.03 . 2 . . . . . . . . 5807 1 634 . 1 1 87 87 TRP HB3 H 1 3.15 0.03 . 2 . . . . . . . . 5807 1 635 . 1 1 87 87 TRP NE1 N 15 130.8 0.2 . 1 . . . . . . . . 5807 1 636 . 1 1 87 87 TRP HD1 H 1 7.24 0.03 . 1 . . . . . . . . 5807 1 637 . 1 1 87 87 TRP HE3 H 1 7.62 0.03 . 1 . . . . . . . . 5807 1 638 . 1 1 87 87 TRP HE1 H 1 9.25 0.03 . 1 . . . . . . . . 5807 1 639 . 1 1 87 87 TRP HZ3 H 1 6.83 0.03 . 1 . . . . . . . . 5807 1 640 . 1 1 87 87 TRP HZ2 H 1 7.20 0.03 . 1 . . . . . . . . 5807 1 641 . 1 1 87 87 TRP HH2 H 1 7.33 0.03 . 1 . . . . . . . . 5807 1 642 . 1 1 88 88 PRO HA H 1 4.61 0.03 . 1 . . . . . . . . 5807 1 643 . 1 1 88 88 PRO HB2 H 1 1.81 0.03 . 2 . . . . . . . . 5807 1 644 . 1 1 88 88 PRO HB3 H 1 1.67 0.03 . 2 . . . . . . . . 5807 1 645 . 1 1 88 88 PRO HG2 H 1 1.91 0.03 . 2 . . . . . . . . 5807 1 646 . 1 1 88 88 PRO HG3 H 1 2.09 0.03 . 2 . . . . . . . . 5807 1 647 . 1 1 88 88 PRO HD2 H 1 2.56 0.03 . 2 . . . . . . . . 5807 1 648 . 1 1 88 88 PRO HD3 H 1 3.03 0.03 . 2 . . . . . . . . 5807 1 649 . 1 1 89 89 GLU N N 15 124.2 0.2 . 1 . . . . . . . . 5807 1 650 . 1 1 89 89 GLU H H 1 8.84 0.03 . 1 . . . . . . . . 5807 1 651 . 1 1 89 89 GLU HA H 1 3.84 0.03 . 1 . . . . . . . . 5807 1 652 . 1 1 89 89 GLU HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5807 1 653 . 1 1 89 89 GLU HB3 H 1 1.93 0.03 . 1 . . . . . . . . 5807 1 654 . 1 1 89 89 GLU HG2 H 1 2.28 0.03 . 1 . . . . . . . . 5807 1 655 . 1 1 89 89 GLU HG3 H 1 2.28 0.03 . 1 . . . . . . . . 5807 1 656 . 1 1 90 90 ALA N N 15 116.7 0.2 . 1 . . . . . . . . 5807 1 657 . 1 1 90 90 ALA H H 1 8.07 0.03 . 1 . . . . . . . . 5807 1 658 . 1 1 90 90 ALA HA H 1 3.97 0.03 . 1 . . . . . . . . 5807 1 659 . 1 1 90 90 ALA HB1 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 660 . 1 1 90 90 ALA HB2 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 661 . 1 1 90 90 ALA HB3 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 662 . 1 1 91 91 ALA N N 15 119.5 0.2 . 1 . . . . . . . . 5807 1 663 . 1 1 91 91 ALA H H 1 7.24 0.03 . 1 . . . . . . . . 5807 1 664 . 1 1 91 91 ALA HA H 1 4.47 0.03 . 1 . . . . . . . . 5807 1 665 . 1 1 91 91 ALA HB1 H 1 1.23 0.03 . 1 . . . . . . . . 5807 1 666 . 1 1 91 91 ALA HB2 H 1 1.23 0.03 . 1 . . . . . . . . 5807 1 667 . 1 1 91 91 ALA HB3 H 1 1.23 0.03 . 1 . . . . . . . . 5807 1 668 . 1 1 92 92 SER N N 15 116.2 0.2 . 1 . . . . . . . . 5807 1 669 . 1 1 92 92 SER H H 1 7.78 0.03 . 1 . . . . . . . . 5807 1 670 . 1 1 92 92 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 5807 1 671 . 1 1 92 92 SER HB2 H 1 3.68 0.03 . 2 . . . . . . . . 5807 1 672 . 1 1 92 92 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 5807 1 673 . 1 1 93 93 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 5807 1 674 . 1 1 93 93 ASP H H 1 8.10 0.03 . 1 . . . . . . . . 5807 1 675 . 1 1 93 93 ASP HA H 1 4.75 0.03 . 1 . . . . . . . . 5807 1 676 . 1 1 93 93 ASP HB2 H 1 2.55 0.03 . 2 . . . . . . . . 5807 1 677 . 1 1 93 93 ASP HB3 H 1 2.76 0.03 . 2 . . . . . . . . 5807 1 678 . 1 1 94 94 GLU N N 15 127.4 0.2 . 1 . . . . . . . . 5807 1 679 . 1 1 94 94 GLU H H 1 9.03 0.03 . 1 . . . . . . . . 5807 1 680 . 1 1 94 94 GLU HA H 1 3.76 0.03 . 1 . . . . . . . . 5807 1 681 . 1 1 94 94 GLU HB2 H 1 1.81 0.03 . 1 . . . . . . . . 5807 1 682 . 1 1 94 94 GLU HB3 H 1 1.81 0.03 . 1 . . . . . . . . 5807 1 683 . 1 1 94 94 GLU HG2 H 1 2.07 0.03 . 1 . . . . . . . . 5807 1 684 . 1 1 94 94 GLU HG3 H 1 2.07 0.03 . 1 . . . . . . . . 5807 1 685 . 1 1 95 95 THR N N 15 115.2 0.2 . 1 . . . . . . . . 5807 1 686 . 1 1 95 95 THR H H 1 8.18 0.03 . 1 . . . . . . . . 5807 1 687 . 1 1 95 95 THR HA H 1 3.79 0.03 . 1 . . . . . . . . 5807 1 688 . 1 1 95 95 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 5807 1 689 . 1 1 95 95 THR HG21 H 1 1.12 0.03 . 1 . . . . . . . . 5807 1 690 . 1 1 95 95 THR HG22 H 1 1.12 0.03 . 1 . . . . . . . . 5807 1 691 . 1 1 95 95 THR HG23 H 1 1.12 0.03 . 1 . . . . . . . . 5807 1 692 . 1 1 96 96 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 5807 1 693 . 1 1 96 96 LYS H H 1 7.96 0.03 . 1 . . . . . . . . 5807 1 694 . 1 1 96 96 LYS HA H 1 3.88 0.03 . 1 . . . . . . . . 5807 1 695 . 1 1 96 96 LYS HB2 H 1 1.56 0.03 . 2 . . . . . . . . 5807 1 696 . 1 1 96 96 LYS HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5807 1 697 . 1 1 96 96 LYS HG2 H 1 1.39 0.03 . 1 . . . . . . . . 5807 1 698 . 1 1 96 96 LYS HG3 H 1 1.39 0.03 . 1 . . . . . . . . 5807 1 699 . 1 1 96 96 LYS HD2 H 1 1.50 0.03 . 1 . . . . . . . . 5807 1 700 . 1 1 96 96 LYS HD3 H 1 1.50 0.03 . 1 . . . . . . . . 5807 1 701 . 1 1 96 96 LYS HE2 H 1 2.77 0.03 . 1 . . . . . . . . 5807 1 702 . 1 1 96 96 LYS HE3 H 1 2.77 0.03 . 1 . . . . . . . . 5807 1 703 . 1 1 97 97 LYS N N 15 117.5 0.2 . 1 . . . . . . . . 5807 1 704 . 1 1 97 97 LYS H H 1 7.33 0.03 . 1 . . . . . . . . 5807 1 705 . 1 1 97 97 LYS HA H 1 3.55 0.03 . 1 . . . . . . . . 5807 1 706 . 1 1 97 97 LYS HB2 H 1 1.44 0.03 . 2 . . . . . . . . 5807 1 707 . 1 1 97 97 LYS HB3 H 1 -0.24 0.03 . 2 . . . . . . . . 5807 1 708 . 1 1 97 97 LYS HG2 H 1 0.81 0.03 . 1 . . . . . . . . 5807 1 709 . 1 1 97 97 LYS HG3 H 1 0.81 0.03 . 1 . . . . . . . . 5807 1 710 . 1 1 97 97 LYS HD2 H 1 1.17 0.03 . 2 . . . . . . . . 5807 1 711 . 1 1 97 97 LYS HD3 H 1 0.61 0.03 . 2 . . . . . . . . 5807 1 712 . 1 1 97 97 LYS HE2 H 1 2.64 0.03 . 2 . . . . . . . . 5807 1 713 . 1 1 97 97 LYS HE3 H 1 2.19 0.03 . 2 . . . . . . . . 5807 1 714 . 1 1 98 98 ARG N N 15 113.8 0.2 . 1 . . . . . . . . 5807 1 715 . 1 1 98 98 ARG H H 1 8.24 0.03 . 1 . . . . . . . . 5807 1 716 . 1 1 98 98 ARG HA H 1 3.88 0.03 . 1 . . . . . . . . 5807 1 717 . 1 1 98 98 ARG HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5807 1 718 . 1 1 98 98 ARG HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5807 1 719 . 1 1 98 98 ARG HG2 H 1 1.41 0.03 . 2 . . . . . . . . 5807 1 720 . 1 1 98 98 ARG HG3 H 1 1.69 0.03 . 2 . . . . . . . . 5807 1 721 . 1 1 98 98 ARG HD2 H 1 2.85 0.03 . 2 . . . . . . . . 5807 1 722 . 1 1 98 98 ARG HD3 H 1 3.01 0.03 . 2 . . . . . . . . 5807 1 723 . 1 1 98 98 ARG NE N 15 84.8 0.2 . 1 . . . . . . . . 5807 1 724 . 1 1 98 98 ARG HE H 1 7.90 0.03 . 1 . . . . . . . . 5807 1 725 . 1 1 98 98 ARG HH22 H 1 6.11 0.03 . 2 . . . . . . . . 5807 1 726 . 1 1 99 99 THR N N 15 106.8 0.2 . 1 . . . . . . . . 5807 1 727 . 1 1 99 99 THR H H 1 7.50 0.03 . 1 . . . . . . . . 5807 1 728 . 1 1 99 99 THR HA H 1 4.70 0.03 . 1 . . . . . . . . 5807 1 729 . 1 1 99 99 THR HB H 1 4.57 0.03 . 1 . . . . . . . . 5807 1 730 . 1 1 99 99 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 5807 1 731 . 1 1 99 99 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 5807 1 732 . 1 1 99 99 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 5807 1 733 . 1 1 100 100 ALA N N 15 126.3 0.2 . 1 . . . . . . . . 5807 1 734 . 1 1 100 100 ALA H H 1 7.44 0.03 . 1 . . . . . . . . 5807 1 735 . 1 1 100 100 ALA HA H 1 3.72 0.03 . 1 . . . . . . . . 5807 1 736 . 1 1 100 100 ALA HB1 H 1 0.56 0.03 . 1 . . . . . . . . 5807 1 737 . 1 1 100 100 ALA HB2 H 1 0.56 0.03 . 1 . . . . . . . . 5807 1 738 . 1 1 100 100 ALA HB3 H 1 0.56 0.03 . 1 . . . . . . . . 5807 1 739 . 1 1 101 101 PHE N N 15 111.4 0.2 . 1 . . . . . . . . 5807 1 740 . 1 1 101 101 PHE H H 1 8.27 0.03 . 1 . . . . . . . . 5807 1 741 . 1 1 101 101 PHE HA H 1 4.63 0.03 . 1 . . . . . . . . 5807 1 742 . 1 1 101 101 PHE HB2 H 1 2.60 0.03 . 2 . . . . . . . . 5807 1 743 . 1 1 101 101 PHE HB3 H 1 3.27 0.03 . 2 . . . . . . . . 5807 1 744 . 1 1 101 101 PHE HD1 H 1 7.04 0.03 . 1 . . . . . . . . 5807 1 745 . 1 1 101 101 PHE HD2 H 1 7.04 0.03 . 1 . . . . . . . . 5807 1 746 . 1 1 101 101 PHE HE1 H 1 6.90 0.03 . 1 . . . . . . . . 5807 1 747 . 1 1 101 101 PHE HE2 H 1 6.90 0.03 . 1 . . . . . . . . 5807 1 748 . 1 1 101 101 PHE HZ H 1 6.47 0.03 . 1 . . . . . . . . 5807 1 749 . 1 1 102 102 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 5807 1 750 . 1 1 102 102 ALA H H 1 7.29 0.03 . 1 . . . . . . . . 5807 1 751 . 1 1 102 102 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 5807 1 752 . 1 1 102 102 ALA HB1 H 1 1.46 0.03 . 1 . . . . . . . . 5807 1 753 . 1 1 102 102 ALA HB2 H 1 1.46 0.03 . 1 . . . . . . . . 5807 1 754 . 1 1 102 102 ALA HB3 H 1 1.46 0.03 . 1 . . . . . . . . 5807 1 755 . 1 1 103 103 GLY N N 15 109.3 0.2 . 1 . . . . . . . . 5807 1 756 . 1 1 103 103 GLY H H 1 8.80 0.03 . 1 . . . . . . . . 5807 1 757 . 1 1 103 103 GLY HA2 H 1 4.14 0.03 . 2 . . . . . . . . 5807 1 758 . 1 1 103 103 GLY HA3 H 1 3.94 0.03 . 2 . . . . . . . . 5807 1 759 . 1 1 104 104 THR N N 15 110.8 0.2 . 1 . . . . . . . . 5807 1 760 . 1 1 104 104 THR H H 1 8.00 0.03 . 1 . . . . . . . . 5807 1 761 . 1 1 104 104 THR HA H 1 4.87 0.03 . 1 . . . . . . . . 5807 1 762 . 1 1 104 104 THR HB H 1 4.57 0.03 . 1 . . . . . . . . 5807 1 763 . 1 1 104 104 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 5807 1 764 . 1 1 104 104 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 5807 1 765 . 1 1 104 104 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 5807 1 766 . 1 1 104 104 THR HG1 H 1 6.01 0.03 . 1 . . . . . . . . 5807 1 767 . 1 1 105 105 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 5807 1 768 . 1 1 105 105 ALA H H 1 8.50 0.03 . 1 . . . . . . . . 5807 1 769 . 1 1 105 105 ALA HA H 1 4.56 0.03 . 1 . . . . . . . . 5807 1 770 . 1 1 105 105 ALA HB1 H 1 1.53 0.03 . 1 . . . . . . . . 5807 1 771 . 1 1 105 105 ALA HB2 H 1 1.53 0.03 . 1 . . . . . . . . 5807 1 772 . 1 1 105 105 ALA HB3 H 1 1.53 0.03 . 1 . . . . . . . . 5807 1 773 . 1 1 106 106 ILE N N 15 123.7 0.2 . 1 . . . . . . . . 5807 1 774 . 1 1 106 106 ILE H H 1 8.44 0.03 . 1 . . . . . . . . 5807 1 775 . 1 1 106 106 ILE HA H 1 4.51 0.03 . 1 . . . . . . . . 5807 1 776 . 1 1 106 106 ILE HB H 1 1.53 0.03 . 1 . . . . . . . . 5807 1 777 . 1 1 106 106 ILE HG21 H 1 -0.14 0.03 . 1 . . . . . . . . 5807 1 778 . 1 1 106 106 ILE HG22 H 1 -0.14 0.03 . 1 . . . . . . . . 5807 1 779 . 1 1 106 106 ILE HG23 H 1 -0.14 0.03 . 1 . . . . . . . . 5807 1 780 . 1 1 106 106 ILE HG12 H 1 0.54 0.03 . 2 . . . . . . . . 5807 1 781 . 1 1 106 106 ILE HG13 H 1 1.25 0.03 . 2 . . . . . . . . 5807 1 782 . 1 1 106 106 ILE HD11 H 1 0.39 0.03 . 1 . . . . . . . . 5807 1 783 . 1 1 106 106 ILE HD12 H 1 0.39 0.03 . 1 . . . . . . . . 5807 1 784 . 1 1 106 106 ILE HD13 H 1 0.39 0.03 . 1 . . . . . . . . 5807 1 785 . 1 1 107 107 SER N N 15 122.9 0.2 . 1 . . . . . . . . 5807 1 786 . 1 1 107 107 SER H H 1 8.77 0.03 . 1 . . . . . . . . 5807 1 787 . 1 1 107 107 SER HA H 1 4.68 0.03 . 1 . . . . . . . . 5807 1 788 . 1 1 107 107 SER HB2 H 1 3.66 0.03 . 2 . . . . . . . . 5807 1 789 . 1 1 107 107 SER HB3 H 1 3.68 0.03 . 2 . . . . . . . . 5807 1 790 . 1 1 108 108 ILE N N 15 125.4 0.2 . 1 . . . . . . . . 5807 1 791 . 1 1 108 108 ILE H H 1 8.44 0.03 . 1 . . . . . . . . 5807 1 792 . 1 1 108 108 ILE HA H 1 5.32 0.03 . 1 . . . . . . . . 5807 1 793 . 1 1 108 108 ILE HB H 1 2.38 0.03 . 1 . . . . . . . . 5807 1 794 . 1 1 108 108 ILE HG21 H 1 1.71 0.03 . 1 . . . . . . . . 5807 1 795 . 1 1 108 108 ILE HG22 H 1 1.71 0.03 . 1 . . . . . . . . 5807 1 796 . 1 1 108 108 ILE HG23 H 1 1.71 0.03 . 1 . . . . . . . . 5807 1 797 . 1 1 108 108 ILE HG12 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 798 . 1 1 108 108 ILE HG13 H 1 1.22 0.03 . 1 . . . . . . . . 5807 1 799 . 1 1 108 108 ILE HD11 H 1 0.54 0.03 . 1 . . . . . . . . 5807 1 800 . 1 1 108 108 ILE HD12 H 1 0.54 0.03 . 1 . . . . . . . . 5807 1 801 . 1 1 108 108 ILE HD13 H 1 0.54 0.03 . 1 . . . . . . . . 5807 1 802 . 1 1 109 109 VAL N N 15 129.8 0.2 . 1 . . . . . . . . 5807 1 803 . 1 1 109 109 VAL H H 1 8.73 0.03 . 1 . . . . . . . . 5807 1 804 . 1 1 109 109 VAL HA H 1 4.35 0.03 . 1 . . . . . . . . 5807 1 805 . 1 1 109 109 VAL HB H 1 2.05 0.03 . 1 . . . . . . . . 5807 1 806 . 1 1 109 109 VAL HG11 H 1 0.67 0.03 . 2 . . . . . . . . 5807 1 807 . 1 1 109 109 VAL HG12 H 1 0.67 0.03 . 2 . . . . . . . . 5807 1 808 . 1 1 109 109 VAL HG13 H 1 0.67 0.03 . 2 . . . . . . . . 5807 1 809 . 1 1 109 109 VAL HG21 H 1 0.78 0.03 . 2 . . . . . . . . 5807 1 810 . 1 1 109 109 VAL HG22 H 1 0.78 0.03 . 2 . . . . . . . . 5807 1 811 . 1 1 109 109 VAL HG23 H 1 0.78 0.03 . 2 . . . . . . . . 5807 1 stop_ save_