data_4183 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4183 _Entry.Title ; Expression and Assignment of 1H, 15N,and 13C Resonances of the C-terminal Domain of the Diphtheria Toxin Repressor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-13 _Entry.Accession_date 1998-08-13 _Entry.Last_release_date 1999-03-01 _Entry.Original_release_date 1999-03-01 _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 Pamela Twigg . D. . 4183 2 Gregory Wylie . P. . 4183 3 Guangshun Wang . . . 4183 4 Donald Caspar . L.D. . 4183 5 John Murphy . R. . 4183 6 Timothy Logan . M. . 4183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 4183 '15N chemical shifts' 106 4183 '1H chemical shifts' 619 4183 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 . . 1999-03-01 1998-08-13 original author . 4183 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4183 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Twigg, P. D., Wylie, G. P., Wang, G., Caspar, D. L.D., Murphy, J. R., and Logan, T. M.,"Expression and Assignment of 1H, 15N,and 13C Resonances of the C-terminal Domain of the Diphtheria Toxin Repressor," J. Biomol. NMR 13, 197-198 (1999). ; _Citation.Title ; Expression and Assignment of 1H, 15N,and 13C Resonances of the C-terminal Domain of the Diphtheria Toxin Repressor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 197 _Citation.Page_last 198 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pamela Twigg . D. . 4183 1 2 Gregory Wylie . P. . 4183 1 3 Guangshun Wang . . . 4183 1 4 Donald Caspar . L.D. . 4183 1 5 John Murphy . R. . 4183 1 6 Timothy Logan . M. . 4183 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4183 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4183 2 2 'C G' Bigam C. G. . 4183 2 3 J Yao J. . . 4183 2 4 F Abildgaard F. . . 4183 2 5 'H J' Dyson H. J. . 4183 2 6 E Oldfield E. . . 4183 2 7 'J L' Markley J. L. . 4183 2 8 'B D' Sykes B. D. . 4183 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DtxR(130-226) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DtxR(130-226) _Assembly.Entry_ID 4183 _Assembly.ID 1 _Assembly.Name 'DtxR subunit 3, C-terminal domain' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'N-TERMINAL HIS tag not cleaved; not observed in NMR spectra' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4183 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 DtxR(130-226) 1 $DtxR(130-226) . . . native . . . . . 4183 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DtxR(130-226) abbreviation 4183 1 'DtxR subunit 3, C-terminal domain' system 4183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DtxR(130-226) _Entity.Sf_category entity _Entity.Sf_framecode DtxR(130-226) _Entity.Entry_ID 4183 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DtxR subunit 3, C-terminal domain' _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 ; MRGSHHHHHHGSNPIPGLDE LGVGNSDAAAPGTRVIDAAT SMPRKVRIVQINEIFQVETD QFTQLLDADIRVGSEVEIVD RDGHITLSHNGKDVELLDDL AHTIRIEEL ; _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 . _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 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15254 . PrSH3 . . . . . 88.99 121 100.00 100.00 2.47e-60 . . . . 4183 1 2 no BMRB 15255 . SH3 . . . . . 76.15 87 100.00 100.00 2.08e-49 . . . . 4183 1 3 no PDB 1BI0 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 88.99 226 100.00 100.00 7.38e-60 . . . . 4183 1 4 no PDB 1BI1 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 88.99 226 100.00 100.00 7.38e-60 . . . . 4183 1 5 no PDB 1BI2 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 6 no PDB 1BI3 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 88.99 226 100.00 100.00 7.38e-60 . . . . 4183 1 7 no PDB 1BYM . "Solution Structures Of The C-Terminal Domain Of Diphtheria Toxin Repressor" . . . . . 88.99 97 100.00 100.00 1.42e-60 . . . . 4183 1 8 no PDB 1C0W . "Crystal Structure Of The Cobalt-Activated Diphtheria Toxin Repressor-Dna Complex Reveals A Metal Binding Sh-Like Domain" . . . . . 88.99 225 100.00 100.00 7.98e-60 . . . . 4183 1 9 no PDB 1DDN . "Diphtheria Tox Repressor (C102d Mutant)TOX DNA OPERATOR Complex" . . . . . 88.99 226 100.00 100.00 7.79e-60 . . . . 4183 1 10 no PDB 1DPR . "Structures Of The Apo-And Metal Ion Activated Forms Of The Diphtheria Tox Repressor From Corynebacterium Diphtheriae" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 11 no PDB 1FWZ . "Glu20ala Dtxr" . . . . . 88.99 226 100.00 100.00 6.99e-60 . . . . 4183 1 12 no PDB 1G3S . "Cys102ser Dtxr" . . . . . 88.99 226 100.00 100.00 6.55e-60 . . . . 4183 1 13 no PDB 1G3T . "Cys102ser Dtxr" . . . . . 88.99 226 100.00 100.00 6.55e-60 . . . . 4183 1 14 no PDB 1G3W . "Cd-Cys102ser Dtxr" . . . . . 88.99 226 100.00 100.00 6.55e-60 . . . . 4183 1 15 no PDB 1G3Y . "Arg80ala Dtxr" . . . . . 88.99 226 100.00 100.00 7.14e-60 . . . . 4183 1 16 no PDB 1P92 . "Crystal Structure Of (H79a)dtxr" . . . . . 88.99 226 100.00 100.00 5.10e-60 . . . . 4183 1 17 no PDB 1QVP . "C Terminal Sh3-Like Domain From Diphtheria Toxin Repressor Residues 144-226" . . . . . 76.15 87 100.00 100.00 2.08e-49 . . . . 4183 1 18 no PDB 1QW1 . "Solution Structure Of The C-Terminal Domain Of Dtxr Residues 110-226" . . . . . 88.99 121 100.00 100.00 2.47e-60 . . . . 4183 1 19 no PDB 2DTR . "Structure Of Diphtheria Toxin Repressor" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 20 no PDB 2QQ9 . "Crystal Structure Of Dtxr(D6a C102d) Complexed With Nickel(Ii)" . . . . . 88.99 226 100.00 100.00 6.84e-60 . . . . 4183 1 21 no PDB 2QQA . "Crystal Structure Of Dtxr(E9a C102d) Complexed With Nickel(Ii)" . . . . . 88.99 226 100.00 100.00 7.38e-60 . . . . 4183 1 22 no PDB 2QQB . "Crystal Structure Of Dtxr(m10a C102d) Complexed With Nickel(ii)" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 23 no PDB 2TDX . "Diphtheria Tox Repressor (C102d Mutant) Complexed With Nickel" . . . . . 88.99 226 100.00 100.00 7.79e-60 . . . . 4183 1 24 no PDB 3GLX . "Crystal Structure Analysis Of The Dtxr(E175k) Complexed With Ni(Ii)" . . . . . 88.99 226 97.94 98.97 1.13e-58 . . . . 4183 1 25 no EMBL CAE49945 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 97.94 98.97 8.54e-59 . . . . 4183 1 26 no EMBL CCG27916 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.07 235 98.96 100.00 1.97e-58 . . . . 4183 1 27 no EMBL CCG27917 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 28 no EMBL CCG27918 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 29 no EMBL CCG27919 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 30 no GB AAA23296 . "toxin repressor protein (dtxR) [Corynebacterium diphtheriae]" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 31 no GB AAA23299 . "diphtheria toxin repressor [Corynebacterium diphtheriae PW8]" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 32 no GB AAA23301 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 100.00 100.00 9.06e-60 . . . . 4183 1 33 no GB AAU93781 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 97.94 97.94 6.98e-58 . . . . 4183 1 34 no GB AAU93782 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 97.94 98.97 1.97e-58 . . . . 4183 1 35 no REF WP_003851803 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 36 no REF WP_010935052 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 97.94 98.97 8.54e-59 . . . . 4183 1 37 no REF WP_014316797 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 88.99 226 98.97 100.00 3.02e-59 . . . . 4183 1 38 no REF WP_014320173 . "dihydrofolate reductase [Corynebacterium diphtheriae]" . . . . . 88.99 226 98.97 98.97 7.42e-59 . . . . 4183 1 39 no SP H2I233 . "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" . . . . . 88.99 226 100.00 100.00 7.70e-60 . . . . 4183 1 40 no SP P0DJL7 . "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" . . . . . 88.99 226 97.94 98.97 8.54e-59 . . . . 4183 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DtxR(130-226) abbreviation 4183 1 'DtxR subunit 3, C-terminal domain' common 4183 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 . 4183 1 2 . ARG . 4183 1 3 . GLY . 4183 1 4 . SER . 4183 1 5 . HIS . 4183 1 6 . HIS . 4183 1 7 . HIS . 4183 1 8 . HIS . 4183 1 9 . HIS . 4183 1 10 . HIS . 4183 1 11 . GLY . 4183 1 12 . SER . 4183 1 13 . ASN . 4183 1 14 . PRO . 4183 1 15 . ILE . 4183 1 16 . PRO . 4183 1 17 . GLY . 4183 1 18 . LEU . 4183 1 19 . ASP . 4183 1 20 . GLU . 4183 1 21 . LEU . 4183 1 22 . GLY . 4183 1 23 . VAL . 4183 1 24 . GLY . 4183 1 25 . ASN . 4183 1 26 . SER . 4183 1 27 . ASP . 4183 1 28 . ALA . 4183 1 29 . ALA . 4183 1 30 . ALA . 4183 1 31 . PRO . 4183 1 32 . GLY . 4183 1 33 . THR . 4183 1 34 . ARG . 4183 1 35 . VAL . 4183 1 36 . ILE . 4183 1 37 . ASP . 4183 1 38 . ALA . 4183 1 39 . ALA . 4183 1 40 . THR . 4183 1 41 . SER . 4183 1 42 . MET . 4183 1 43 . PRO . 4183 1 44 . ARG . 4183 1 45 . LYS . 4183 1 46 . VAL . 4183 1 47 . ARG . 4183 1 48 . ILE . 4183 1 49 . VAL . 4183 1 50 . GLN . 4183 1 51 . ILE . 4183 1 52 . ASN . 4183 1 53 . GLU . 4183 1 54 . ILE . 4183 1 55 . PHE . 4183 1 56 . GLN . 4183 1 57 . VAL . 4183 1 58 . GLU . 4183 1 59 . THR . 4183 1 60 . ASP . 4183 1 61 . GLN . 4183 1 62 . PHE . 4183 1 63 . THR . 4183 1 64 . GLN . 4183 1 65 . LEU . 4183 1 66 . LEU . 4183 1 67 . ASP . 4183 1 68 . ALA . 4183 1 69 . ASP . 4183 1 70 . ILE . 4183 1 71 . ARG . 4183 1 72 . VAL . 4183 1 73 . GLY . 4183 1 74 . SER . 4183 1 75 . GLU . 4183 1 76 . VAL . 4183 1 77 . GLU . 4183 1 78 . ILE . 4183 1 79 . VAL . 4183 1 80 . ASP . 4183 1 81 . ARG . 4183 1 82 . ASP . 4183 1 83 . GLY . 4183 1 84 . HIS . 4183 1 85 . ILE . 4183 1 86 . THR . 4183 1 87 . LEU . 4183 1 88 . SER . 4183 1 89 . HIS . 4183 1 90 . ASN . 4183 1 91 . GLY . 4183 1 92 . LYS . 4183 1 93 . ASP . 4183 1 94 . VAL . 4183 1 95 . GLU . 4183 1 96 . LEU . 4183 1 97 . LEU . 4183 1 98 . ASP . 4183 1 99 . ASP . 4183 1 100 . LEU . 4183 1 101 . ALA . 4183 1 102 . HIS . 4183 1 103 . THR . 4183 1 104 . ILE . 4183 1 105 . ARG . 4183 1 106 . ILE . 4183 1 107 . GLU . 4183 1 108 . GLU . 4183 1 109 . LEU . 4183 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 4183 1 . ARG 2 2 4183 1 . GLY 3 3 4183 1 . SER 4 4 4183 1 . HIS 5 5 4183 1 . HIS 6 6 4183 1 . HIS 7 7 4183 1 . HIS 8 8 4183 1 . HIS 9 9 4183 1 . HIS 10 10 4183 1 . GLY 11 11 4183 1 . SER 12 12 4183 1 . ASN 13 13 4183 1 . PRO 14 14 4183 1 . ILE 15 15 4183 1 . PRO 16 16 4183 1 . GLY 17 17 4183 1 . LEU 18 18 4183 1 . ASP 19 19 4183 1 . GLU 20 20 4183 1 . LEU 21 21 4183 1 . GLY 22 22 4183 1 . VAL 23 23 4183 1 . GLY 24 24 4183 1 . ASN 25 25 4183 1 . SER 26 26 4183 1 . ASP 27 27 4183 1 . ALA 28 28 4183 1 . ALA 29 29 4183 1 . ALA 30 30 4183 1 . PRO 31 31 4183 1 . GLY 32 32 4183 1 . THR 33 33 4183 1 . ARG 34 34 4183 1 . VAL 35 35 4183 1 . ILE 36 36 4183 1 . ASP 37 37 4183 1 . ALA 38 38 4183 1 . ALA 39 39 4183 1 . THR 40 40 4183 1 . SER 41 41 4183 1 . MET 42 42 4183 1 . PRO 43 43 4183 1 . ARG 44 44 4183 1 . LYS 45 45 4183 1 . VAL 46 46 4183 1 . ARG 47 47 4183 1 . ILE 48 48 4183 1 . VAL 49 49 4183 1 . GLN 50 50 4183 1 . ILE 51 51 4183 1 . ASN 52 52 4183 1 . GLU 53 53 4183 1 . ILE 54 54 4183 1 . PHE 55 55 4183 1 . GLN 56 56 4183 1 . VAL 57 57 4183 1 . GLU 58 58 4183 1 . THR 59 59 4183 1 . ASP 60 60 4183 1 . GLN 61 61 4183 1 . PHE 62 62 4183 1 . THR 63 63 4183 1 . GLN 64 64 4183 1 . LEU 65 65 4183 1 . LEU 66 66 4183 1 . ASP 67 67 4183 1 . ALA 68 68 4183 1 . ASP 69 69 4183 1 . ILE 70 70 4183 1 . ARG 71 71 4183 1 . VAL 72 72 4183 1 . GLY 73 73 4183 1 . SER 74 74 4183 1 . GLU 75 75 4183 1 . VAL 76 76 4183 1 . GLU 77 77 4183 1 . ILE 78 78 4183 1 . VAL 79 79 4183 1 . ASP 80 80 4183 1 . ARG 81 81 4183 1 . ASP 82 82 4183 1 . GLY 83 83 4183 1 . HIS 84 84 4183 1 . ILE 85 85 4183 1 . THR 86 86 4183 1 . LEU 87 87 4183 1 . SER 88 88 4183 1 . HIS 89 89 4183 1 . ASN 90 90 4183 1 . GLY 91 91 4183 1 . LYS 92 92 4183 1 . ASP 93 93 4183 1 . VAL 94 94 4183 1 . GLU 95 95 4183 1 . LEU 96 96 4183 1 . LEU 97 97 4183 1 . ASP 98 98 4183 1 . ASP 99 99 4183 1 . LEU 100 100 4183 1 . ALA 101 101 4183 1 . HIS 102 102 4183 1 . THR 103 103 4183 1 . ILE 104 104 4183 1 . ARG 105 105 4183 1 . ILE 106 106 4183 1 . GLU 107 107 4183 1 . GLU 108 108 4183 1 . LEU 109 109 4183 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 4183 _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 $DtxR(130-226) . 1717 . . 'Corynebacterium diphtheriae' 'Corynebacterium diphtheriae' . . Bacteria . Corynebacterium diphtheriae . . . . . . . . . . . . . . . . . . . . . 4183 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 4183 _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 $DtxR(130-226) . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli . . . . . . . . . . . . . plasmid . . pQE31 . . . 'n-terminal his-tag' . . 4183 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4183 _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 'DtxR subunit 3, C-terminal domain' '[U-95% 15N]' . . 1 $DtxR(130-226) . . . 1 2 mM . . . . 4183 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4183 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DtxR subunit 3, C-terminal domain' '[U-95% 15N; U-95% 13C]' . . 1 $DtxR(130-226) . . . 1 2 mM . . . . 4183 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4183 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.01 na 4183 1 pH 6.5 0.2 na 4183 1 temperature 303 0.5 K 4183 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4183 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4183 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 4183 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4183 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4183 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 2 $citation_one . . . . 4183 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4183 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; Residues 13-109 in the current chemical shift list correspond to DtxR(130-226) ; _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_one . 4183 1 . . 2 $sample_two . 4183 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 11 11 GLY CA C 13 44.92 . . . . . . . . . . . 4183 1 2 . 1 1 12 12 SER H H 1 8.26 . . . . . . . . . . . 4183 1 3 . 1 1 12 12 SER HA H 1 4.46 . . . . . . . . . . . 4183 1 4 . 1 1 12 12 SER HB2 H 1 3.91 . . . . . . . . . . . 4183 1 5 . 1 1 12 12 SER HB3 H 1 3.85 . . . . . . . . . . . 4183 1 6 . 1 1 12 12 SER CA C 13 57.92 . . . . . . . . . . . 4183 1 7 . 1 1 12 12 SER CB C 13 63.62 . . . . . . . . . . . 4183 1 8 . 1 1 12 12 SER N N 15 113.69 . . . . . . . . . . . 4183 1 9 . 1 1 13 13 ASN H H 1 8.44 . . . . . . . . . . . 4183 1 10 . 1 1 13 13 ASN HA H 1 4.97 . . . . . . . . . . . 4183 1 11 . 1 1 13 13 ASN HB2 H 1 2.79 . . . . . . . . . . . 4183 1 12 . 1 1 13 13 ASN HB3 H 1 2.66 . . . . . . . . . . . 4183 1 13 . 1 1 13 13 ASN HD21 H 1 6.89 . . . . . . . . . . . 4183 1 14 . 1 1 13 13 ASN HD22 H 1 7.59 . . . . . . . . . . . 4183 1 15 . 1 1 13 13 ASN CA C 13 51.20 . . . . . . . . . . . 4183 1 16 . 1 1 13 13 ASN CB C 13 38.68 . . . . . . . . . . . 4183 1 17 . 1 1 13 13 ASN N N 15 119.54 . . . . . . . . . . . 4183 1 18 . 1 1 13 13 ASN ND2 N 15 110.89 . . . . . . . . . . . 4183 1 19 . 1 1 14 14 PRO HA H 1 4.39 . . . . . . . . . . . 4183 1 20 . 1 1 14 14 PRO HB2 H 1 2.17 . . . . . . . . . . . 4183 1 21 . 1 1 14 14 PRO HB3 H 1 1.86 . . . . . . . . . . . 4183 1 22 . 1 1 14 14 PRO HG2 H 1 1.96 . . . . . . . . . . . 4183 1 23 . 1 1 14 14 PRO HD2 H 1 3.73 . . . . . . . . . . . 4183 1 24 . 1 1 14 14 PRO HD3 H 1 3.66 . . . . . . . . . . . 4183 1 25 . 1 1 14 14 PRO C C 13 176.55 . . . . . . . . . . . 4183 1 26 . 1 1 14 14 PRO CA C 13 62.83 . . . . . . . . . . . 4183 1 27 . 1 1 14 14 PRO CB C 13 32.00 . . . . . . . . . . . 4183 1 28 . 1 1 14 14 PRO CG C 13 27.14 . . . . . . . . . . . 4183 1 29 . 1 1 14 14 PRO CD C 13 50.11 . . . . . . . . . . . 4183 1 30 . 1 1 15 15 ILE H H 1 8.23 . . . . . . . . . . . 4183 1 31 . 1 1 15 15 ILE HA H 1 4.40 . . . . . . . . . . . 4183 1 32 . 1 1 15 15 ILE HB H 1 1.83 . . . . . . . . . . . 4183 1 33 . 1 1 15 15 ILE HG12 H 1 1.49 . . . . . . . . . . . 4183 1 34 . 1 1 15 15 ILE HG13 H 1 1.11 . . . . . . . . . . . 4183 1 35 . 1 1 15 15 ILE HG21 H 1 0.89 . . . . . . . . . . . 4183 1 36 . 1 1 15 15 ILE HG22 H 1 0.89 . . . . . . . . . . . 4183 1 37 . 1 1 15 15 ILE HG23 H 1 0.89 . . . . . . . . . . . 4183 1 38 . 1 1 15 15 ILE HD11 H 1 0.82 . . . . . . . . . . . 4183 1 39 . 1 1 15 15 ILE HD12 H 1 0.82 . . . . . . . . . . . 4183 1 40 . 1 1 15 15 ILE HD13 H 1 0.82 . . . . . . . . . . . 4183 1 41 . 1 1 15 15 ILE CA C 13 58.22 . . . . . . . . . . . 4183 1 42 . 1 1 15 15 ILE CB C 13 38.40 . . . . . . . . . . . 4183 1 43 . 1 1 15 15 ILE CG1 C 13 26.60 . . . . . . . . . . . 4183 1 44 . 1 1 15 15 ILE CG2 C 13 16.70 . . . . . . . . . . . 4183 1 45 . 1 1 15 15 ILE CD1 C 13 12.40 . . . . . . . . . . . 4183 1 46 . 1 1 15 15 ILE N N 15 120.59 . . . . . . . . . . . 4183 1 47 . 1 1 16 16 PRO HA H 1 4.37 . . . . . . . . . . . 4183 1 48 . 1 1 16 16 PRO HB2 H 1 2.26 . . . . . . . . . . . 4183 1 49 . 1 1 16 16 PRO HB3 H 1 1.89 . . . . . . . . . . . 4183 1 50 . 1 1 16 16 PRO HG2 H 1 2.04 . . . . . . . . . . . 4183 1 51 . 1 1 16 16 PRO HG3 H 1 1.91 . . . . . . . . . . . 4183 1 52 . 1 1 16 16 PRO HD2 H 1 3.86 . . . . . . . . . . . 4183 1 53 . 1 1 16 16 PRO HD3 H 1 3.67 . . . . . . . . . . . 4183 1 54 . 1 1 16 16 PRO C C 13 176.09 . . . . . . . . . . . 4183 1 55 . 1 1 16 16 PRO CA C 13 63.41 . . . . . . . . . . . 4183 1 56 . 1 1 16 16 PRO CB C 13 31.70 . . . . . . . . . . . 4183 1 57 . 1 1 16 16 PRO CG C 13 27.10 . . . . . . . . . . . 4183 1 58 . 1 1 16 16 PRO CD C 13 50.67 . . . . . . . . . . . 4183 1 59 . 1 1 17 17 GLY H H 1 8.52 . . . . . . . . . . . 4183 1 60 . 1 1 17 17 GLY HA2 H 1 3.97 . . . . . . . . . . . 4183 1 61 . 1 1 17 17 GLY C C 13 176.15 . . . . . . . . . . . 4183 1 62 . 1 1 17 17 GLY CA C 13 45.19 . . . . . . . . . . . 4183 1 63 . 1 1 17 17 GLY N N 15 108.2 . . . . . . . . . . . 4183 1 64 . 1 1 18 18 LEU H H 1 7.95 . . . . . . . . . . . 4183 1 65 . 1 1 18 18 LEU HA H 1 4.33 . . . . . . . . . . . 4183 1 66 . 1 1 18 18 LEU HB2 H 1 1.58 . . . . . . . . . . . 4183 1 67 . 1 1 18 18 LEU HG H 1 1.71 . . . . . . . . . . . 4183 1 68 . 1 1 18 18 LEU HD11 H 1 0.91 . . . . . . . . . . . 4183 1 69 . 1 1 18 18 LEU HD12 H 1 0.91 . . . . . . . . . . . 4183 1 70 . 1 1 18 18 LEU HD13 H 1 0.91 . . . . . . . . . . . 4183 1 71 . 1 1 18 18 LEU HD21 H 1 0.84 . . . . . . . . . . . 4183 1 72 . 1 1 18 18 LEU HD22 H 1 0.84 . . . . . . . . . . . 4183 1 73 . 1 1 18 18 LEU HD23 H 1 0.84 . . . . . . . . . . . 4183 1 74 . 1 1 18 18 LEU C C 13 176.41 . . . . . . . . . . . 4183 1 75 . 1 1 18 18 LEU CA C 13 55.12 . . . . . . . . . . . 4183 1 76 . 1 1 18 18 LEU CB C 13 42.02 . . . . . . . . . . . 4183 1 77 . 1 1 18 18 LEU CG C 13 26.00 . . . . . . . . . . . 4183 1 78 . 1 1 18 18 LEU CD1 C 13 24.44 . . . . . . . . . . . 4183 1 79 . 1 1 18 18 LEU CD2 C 13 23.24 . . . . . . . . . . . 4183 1 80 . 1 1 18 18 LEU N N 15 119.99 . . . . . . . . . . . 4183 1 81 . 1 1 19 19 ASP H H 1 8.46 . . . . . . . . . . . 4183 1 82 . 1 1 19 19 ASP HA H 1 4.59 . . . . . . . . . . . 4183 1 83 . 1 1 19 19 ASP HB2 H 1 2.69 . . . . . . . . . . . 4183 1 84 . 1 1 19 19 ASP HB3 H 1 2.64 . . . . . . . . . . . 4183 1 85 . 1 1 19 19 ASP C C 13 177.12 . . . . . . . . . . . 4183 1 86 . 1 1 19 19 ASP CA C 13 54.08 . . . . . . . . . . . 4183 1 87 . 1 1 19 19 ASP CB C 13 40.78 . . . . . . . . . . . 4183 1 88 . 1 1 19 19 ASP N N 15 118.78 . . . . . . . . . . . 4183 1 89 . 1 1 20 20 GLU H H 1 8.28 . . . . . . . . . . . 4183 1 90 . 1 1 20 20 GLU HA H 1 4.24 . . . . . . . . . . . 4183 1 91 . 1 1 20 20 GLU HB2 H 1 2.08 . . . . . . . . . . . 4183 1 92 . 1 1 20 20 GLU HB3 H 1 1.96 . . . . . . . . . . . 4183 1 93 . 1 1 20 20 GLU HG2 H 1 2.24 . . . . . . . . . . . 4183 1 94 . 1 1 20 20 GLU C C 13 177.31 . . . . . . . . . . . 4183 1 95 . 1 1 20 20 GLU CA C 13 56.56 . . . . . . . . . . . 4183 1 96 . 1 1 20 20 GLU CB C 13 29.78 . . . . . . . . . . . 4183 1 97 . 1 1 20 20 GLU CG C 13 36.03 . . . . . . . . . . . 4183 1 98 . 1 1 20 20 GLU N N 15 119.28 . . . . . . . . . . . 4183 1 99 . 1 1 21 21 LEU H H 1 8.16 . . . . . . . . . . . 4183 1 100 . 1 1 21 21 LEU HA H 1 4.42 . . . . . . . . . . . 4183 1 101 . 1 1 21 21 LEU HB2 H 1 1.72 . . . . . . . . . . . 4183 1 102 . 1 1 21 21 LEU HB3 H 1 1.63 . . . . . . . . . . . 4183 1 103 . 1 1 21 21 LEU HD11 H 1 0.89 . . . . . . . . . . . 4183 1 104 . 1 1 21 21 LEU HD12 H 1 0.89 . . . . . . . . . . . 4183 1 105 . 1 1 21 21 LEU HD13 H 1 0.89 . . . . . . . . . . . 4183 1 106 . 1 1 21 21 LEU HD21 H 1 0.84 . . . . . . . . . . . 4183 1 107 . 1 1 21 21 LEU HD22 H 1 0.84 . . . . . . . . . . . 4183 1 108 . 1 1 21 21 LEU HD23 H 1 0.84 . . . . . . . . . . . 4183 1 109 . 1 1 21 21 LEU C C 13 178.62 . . . . . . . . . . . 4183 1 110 . 1 1 21 21 LEU CA C 13 55.14 . . . . . . . . . . . 4183 1 111 . 1 1 21 21 LEU CB C 13 42.08 . . . . . . . . . . . 4183 1 112 . 1 1 21 21 LEU N N 15 120.14 . . . . . . . . . . . 4183 1 113 . 1 1 22 22 GLY H H 1 8.28 . . . . . . . . . . . 4183 1 114 . 1 1 22 22 GLY HA2 H 1 3.93 . . . . . . . . . . . 4183 1 115 . 1 1 22 22 GLY C C 13 174.96 . . . . . . . . . . . 4183 1 116 . 1 1 22 22 GLY CA C 13 45.08 . . . . . . . . . . . 4183 1 117 . 1 1 22 22 GLY N N 15 107.58 . . . . . . . . . . . 4183 1 118 . 1 1 23 23 VAL H H 1 7.95 . . . . . . . . . . . 4183 1 119 . 1 1 23 23 VAL HA H 1 4.13 . . . . . . . . . . . 4183 1 120 . 1 1 23 23 VAL HB H 1 2.12 . . . . . . . . . . . 4183 1 121 . 1 1 23 23 VAL HG11 H 1 0.92 . . . . . . . . . . . 4183 1 122 . 1 1 23 23 VAL HG12 H 1 0.92 . . . . . . . . . . . 4183 1 123 . 1 1 23 23 VAL HG13 H 1 0.92 . . . . . . . . . . . 4183 1 124 . 1 1 23 23 VAL C C 13 177.42 . . . . . . . . . . . 4183 1 125 . 1 1 23 23 VAL CA C 13 62.10 . . . . . . . . . . . 4183 1 126 . 1 1 23 23 VAL CB C 13 32.22 . . . . . . . . . . . 4183 1 127 . 1 1 23 23 VAL CG1 C 13 20.37 . . . . . . . . . . . 4183 1 128 . 1 1 23 23 VAL N N 15 116.75 . . . . . . . . . . . 4183 1 129 . 1 1 24 24 GLY H H 1 8.52 . . . . . . . . . . . 4183 1 130 . 1 1 24 24 GLY HA2 H 1 3.96 . . . . . . . . . . . 4183 1 131 . 1 1 24 24 GLY C C 13 174.52 . . . . . . . . . . . 4183 1 132 . 1 1 24 24 GLY CA C 13 45.19 . . . . . . . . . . . 4183 1 133 . 1 1 24 24 GLY N N 15 110.49 . . . . . . . . . . . 4183 1 134 . 1 1 25 25 ASN H H 1 8.26 . . . . . . . . . . . 4183 1 135 . 1 1 25 25 ASN HA H 1 4.76 . . . . . . . . . . . 4183 1 136 . 1 1 25 25 ASN HB2 H 1 2.83 . . . . . . . . . . . 4183 1 137 . 1 1 25 25 ASN HD21 H 1 7.58 . . . . . . . . . . . 4183 1 138 . 1 1 25 25 ASN HD22 H 1 6.91 . . . . . . . . . . . 4183 1 139 . 1 1 25 25 ASN C C 13 176.12 . . . . . . . . . . . 4183 1 140 . 1 1 25 25 ASN CA C 13 52.89 . . . . . . . . . . . 4183 1 141 . 1 1 25 25 ASN CB C 13 38.68 . . . . . . . . . . . 4183 1 142 . 1 1 25 25 ASN N N 15 117.43 . . . . . . . . . . . 4183 1 143 . 1 1 25 25 ASN ND2 N 15 110.38 . . . . . . . . . . . 4183 1 144 . 1 1 26 26 SER H H 1 8.38 . . . . . . . . . . . 4183 1 145 . 1 1 26 26 SER HA H 1 4.45 . . . . . . . . . . . 4183 1 146 . 1 1 26 26 SER HB2 H 1 3.91 . . . . . . . . . . . 4183 1 147 . 1 1 26 26 SER C C 13 175.00 . . . . . . . . . . . 4183 1 148 . 1 1 26 26 SER CA C 13 58.36 . . . . . . . . . . . 4183 1 149 . 1 1 26 26 SER CB C 13 63.43 . . . . . . . . . . . 4183 1 150 . 1 1 26 26 SER N N 15 114.99 . . . . . . . . . . . 4183 1 151 . 1 1 27 27 ASP H H 1 8.37 . . . . . . . . . . . 4183 1 152 . 1 1 27 27 ASP HA H 1 4.62 . . . . . . . . . . . 4183 1 153 . 1 1 27 27 ASP HB2 H 1 2.71 . . . . . . . . . . . 4183 1 154 . 1 1 27 27 ASP HB3 H 1 2.64 . . . . . . . . . . . 4183 1 155 . 1 1 27 27 ASP C C 13 176.72 . . . . . . . . . . . 4183 1 156 . 1 1 27 27 ASP CA C 13 54.30 . . . . . . . . . . . 4183 1 157 . 1 1 27 27 ASP CB C 13 40.98 . . . . . . . . . . . 4183 1 158 . 1 1 27 27 ASP N N 15 120.94 . . . . . . . . . . . 4183 1 159 . 1 1 28 28 ALA H H 1 8.06 . . . . . . . . . . . 4183 1 160 . 1 1 28 28 ALA HA H 1 4.26 . . . . . . . . . . . 4183 1 161 . 1 1 28 28 ALA HB1 H 1 1.38 . . . . . . . . . . . 4183 1 162 . 1 1 28 28 ALA HB2 H 1 1.38 . . . . . . . . . . . 4183 1 163 . 1 1 28 28 ALA HB3 H 1 1.38 . . . . . . . . . . . 4183 1 164 . 1 1 28 28 ALA C C 13 177.99 . . . . . . . . . . . 4183 1 165 . 1 1 28 28 ALA CA C 13 52.33 . . . . . . . . . . . 4183 1 166 . 1 1 28 28 ALA CB C 13 18.84 . . . . . . . . . . . 4183 1 167 . 1 1 28 28 ALA N N 15 122.35 . . . . . . . . . . . 4183 1 168 . 1 1 29 29 ALA H H 1 8.12 . . . . . . . . . . . 4183 1 169 . 1 1 29 29 ALA HA H 1 4.30 . . . . . . . . . . . 4183 1 170 . 1 1 29 29 ALA HB1 H 1 1.37 . . . . . . . . . . . 4183 1 171 . 1 1 29 29 ALA HB2 H 1 1.37 . . . . . . . . . . . 4183 1 172 . 1 1 29 29 ALA HB3 H 1 1.37 . . . . . . . . . . . 4183 1 173 . 1 1 29 29 ALA C C 13 177.58 . . . . . . . . . . . 4183 1 174 . 1 1 29 29 ALA CA C 13 51.70 . . . . . . . . . . . 4183 1 175 . 1 1 29 29 ALA CB C 13 18.93 . . . . . . . . . . . 4183 1 176 . 1 1 29 29 ALA N N 15 121.07 . . . . . . . . . . . 4183 1 177 . 1 1 30 30 ALA H H 1 7.97 . . . . . . . . . . . 4183 1 178 . 1 1 30 30 ALA HA H 1 4.54 . . . . . . . . . . . 4183 1 179 . 1 1 30 30 ALA HB1 H 1 1.25 . . . . . . . . . . . 4183 1 180 . 1 1 30 30 ALA HB2 H 1 1.25 . . . . . . . . . . . 4183 1 181 . 1 1 30 30 ALA HB3 H 1 1.25 . . . . . . . . . . . 4183 1 182 . 1 1 30 30 ALA CA C 13 49.80 . . . . . . . . . . . 4183 1 183 . 1 1 30 30 ALA CB C 13 17.77 . . . . . . . . . . . 4183 1 184 . 1 1 30 30 ALA N N 15 123.18 . . . . . . . . . . . 4183 1 185 . 1 1 31 31 PRO HA H 1 4.49 . . . . . . . . . . . 4183 1 186 . 1 1 31 31 PRO HB2 H 1 2.21 . . . . . . . . . . . 4183 1 187 . 1 1 31 31 PRO HB3 H 1 1.80 . . . . . . . . . . . 4183 1 188 . 1 1 31 31 PRO HG2 H 1 2.01 . . . . . . . . . . . 4183 1 189 . 1 1 31 31 PRO HG3 H 1 1.81 . . . . . . . . . . . 4183 1 190 . 1 1 31 31 PRO HD2 H 1 3.69 . . . . . . . . . . . 4183 1 191 . 1 1 31 31 PRO HD3 H 1 3.56 . . . . . . . . . . . 4183 1 192 . 1 1 31 31 PRO C C 13 177.99 . . . . . . . . . . . 4183 1 193 . 1 1 31 31 PRO CA C 13 62.14 . . . . . . . . . . . 4183 1 194 . 1 1 31 31 PRO CB C 13 32.06 . . . . . . . . . . . 4183 1 195 . 1 1 31 31 PRO CG C 13 26.65 . . . . . . . . . . . 4183 1 196 . 1 1 31 31 PRO CD C 13 49.56 . . . . . . . . . . . 4183 1 197 . 1 1 32 32 GLY H H 1 8.39 . . . . . . . . . . . 4183 1 198 . 1 1 32 32 GLY HA2 H 1 3.96 . . . . . . . . . . . 4183 1 199 . 1 1 32 32 GLY HA3 H 1 3.88 . . . . . . . . . . . 4183 1 200 . 1 1 32 32 GLY C C 13 176.37 . . . . . . . . . . . 4183 1 201 . 1 1 32 32 GLY CA C 13 45.19 . . . . . . . . . . . 4183 1 202 . 1 1 32 32 GLY N N 15 105.21 . . . . . . . . . . . 4183 1 203 . 1 1 33 33 THR H H 1 9.23 . . . . . . . . . . . 4183 1 204 . 1 1 33 33 THR HA H 1 4.55 . . . . . . . . . . . 4183 1 205 . 1 1 33 33 THR HB H 1 3.72 . . . . . . . . . . . 4183 1 206 . 1 1 33 33 THR HG21 H 1 1.34 . . . . . . . . . . . 4183 1 207 . 1 1 33 33 THR HG22 H 1 1.34 . . . . . . . . . . . 4183 1 208 . 1 1 33 33 THR HG23 H 1 1.34 . . . . . . . . . . . 4183 1 209 . 1 1 33 33 THR C C 13 175.32 . . . . . . . . . . . 4183 1 210 . 1 1 33 33 THR CA C 13 61.10 . . . . . . . . . . . 4183 1 211 . 1 1 33 33 THR CB C 13 71.22 . . . . . . . . . . . 4183 1 212 . 1 1 33 33 THR CG2 C 13 21.52 . . . . . . . . . . . 4183 1 213 . 1 1 33 33 THR N N 15 116.41 . . . . . . . . . . . 4183 1 214 . 1 1 34 34 ARG H H 1 9.37 . . . . . . . . . . . 4183 1 215 . 1 1 34 34 ARG HA H 1 4.48 . . . . . . . . . . . 4183 1 216 . 1 1 34 34 ARG HB2 H 1 1.88 . . . . . . . . . . . 4183 1 217 . 1 1 34 34 ARG HG2 H 1 1.69 . . . . . . . . . . . 4183 1 218 . 1 1 34 34 ARG HD2 H 1 3.38 . . . . . . . . . . . 4183 1 219 . 1 1 34 34 ARG HD3 H 1 3.25 . . . . . . . . . . . 4183 1 220 . 1 1 34 34 ARG HE H 1 7.35 . . . . . . . . . . . 4183 1 221 . 1 1 34 34 ARG C C 13 179.72 . . . . . . . . . . . 4183 1 222 . 1 1 34 34 ARG CA C 13 57.17 . . . . . . . . . . . 4183 1 223 . 1 1 34 34 ARG CB C 13 30.97 . . . . . . . . . . . 4183 1 224 . 1 1 34 34 ARG CG C 13 26.94 . . . . . . . . . . . 4183 1 225 . 1 1 34 34 ARG CD C 13 43.54 . . . . . . . . . . . 4183 1 226 . 1 1 34 34 ARG N N 15 124.56 . . . . . . . . . . . 4183 1 227 . 1 1 34 34 ARG NE N 15 82.40 . . . . . . . . . . . 4183 1 228 . 1 1 35 35 VAL H H 1 8.75 . . . . . . . . . . . 4183 1 229 . 1 1 35 35 VAL HA H 1 3.50 . . . . . . . . . . . 4183 1 230 . 1 1 35 35 VAL HB H 1 2.14 . . . . . . . . . . . 4183 1 231 . 1 1 35 35 VAL HG11 H 1 0.91 . . . . . . . . . . . 4183 1 232 . 1 1 35 35 VAL HG12 H 1 0.91 . . . . . . . . . . . 4183 1 233 . 1 1 35 35 VAL HG13 H 1 0.91 . . . . . . . . . . . 4183 1 234 . 1 1 35 35 VAL C C 13 177.52 . . . . . . . . . . . 4183 1 235 . 1 1 35 35 VAL CA C 13 67.10 . . . . . . . . . . . 4183 1 236 . 1 1 35 35 VAL CB C 13 31.04 . . . . . . . . . . . 4183 1 237 . 1 1 35 35 VAL CG1 C 13 23.85 . . . . . . . . . . . 4183 1 238 . 1 1 35 35 VAL N N 15 121.83 . . . . . . . . . . . 4183 1 239 . 1 1 36 36 ILE H H 1 7.63 . . . . . . . . . . . 4183 1 240 . 1 1 36 36 ILE HA H 1 3.90 . . . . . . . . . . . 4183 1 241 . 1 1 36 36 ILE HB H 1 1.30 . . . . . . . . . . . 4183 1 242 . 1 1 36 36 ILE HG12 H 1 1.34 . . . . . . . . . . . 4183 1 243 . 1 1 36 36 ILE HG13 H 1 1.05 . . . . . . . . . . . 4183 1 244 . 1 1 36 36 ILE HG21 H 1 0.72 . . . . . . . . . . . 4183 1 245 . 1 1 36 36 ILE HG22 H 1 0.72 . . . . . . . . . . . 4183 1 246 . 1 1 36 36 ILE HG23 H 1 0.72 . . . . . . . . . . . 4183 1 247 . 1 1 36 36 ILE HD11 H 1 0.46 . . . . . . . . . . . 4183 1 248 . 1 1 36 36 ILE HD12 H 1 0.46 . . . . . . . . . . . 4183 1 249 . 1 1 36 36 ILE HD13 H 1 0.46 . . . . . . . . . . . 4183 1 250 . 1 1 36 36 ILE C C 13 175.05 . . . . . . . . . . . 4183 1 251 . 1 1 36 36 ILE CA C 13 61.97 . . . . . . . . . . . 4183 1 252 . 1 1 36 36 ILE CB C 13 38.04 . . . . . . . . . . . 4183 1 253 . 1 1 36 36 ILE CG1 C 13 28.20 . . . . . . . . . . . 4183 1 254 . 1 1 36 36 ILE CG2 C 13 14.00 . . . . . . . . . . . 4183 1 255 . 1 1 36 36 ILE CD1 C 13 16.20 . . . . . . . . . . . 4183 1 256 . 1 1 36 36 ILE N N 15 114.26 . . . . . . . . . . . 4183 1 257 . 1 1 37 37 ASP H H 1 6.99 . . . . . . . . . . . 4183 1 258 . 1 1 37 37 ASP HA H 1 4.68 . . . . . . . . . . . 4183 1 259 . 1 1 37 37 ASP HB2 H 1 2.78 . . . . . . . . . . . 4183 1 260 . 1 1 37 37 ASP HB3 H 1 2.64 . . . . . . . . . . . 4183 1 261 . 1 1 37 37 ASP C C 13 176.72 . . . . . . . . . . . 4183 1 262 . 1 1 37 37 ASP CA C 13 55.03 . . . . . . . . . . . 4183 1 263 . 1 1 37 37 ASP CB C 13 41.58 . . . . . . . . . . . 4183 1 264 . 1 1 37 37 ASP N N 15 117.61 . . . . . . . . . . . 4183 1 265 . 1 1 38 38 ALA H H 1 7.61 . . . . . . . . . . . 4183 1 266 . 1 1 38 38 ALA HA H 1 4.46 . . . . . . . . . . . 4183 1 267 . 1 1 38 38 ALA HB1 H 1 1.20 . . . . . . . . . . . 4183 1 268 . 1 1 38 38 ALA HB2 H 1 1.20 . . . . . . . . . . . 4183 1 269 . 1 1 38 38 ALA HB3 H 1 1.20 . . . . . . . . . . . 4183 1 270 . 1 1 38 38 ALA C C 13 178.32 . . . . . . . . . . . 4183 1 271 . 1 1 38 38 ALA CA C 13 51.88 . . . . . . . . . . . 4183 1 272 . 1 1 38 38 ALA CB C 13 21.43 . . . . . . . . . . . 4183 1 273 . 1 1 38 38 ALA N N 15 119.33 . . . . . . . . . . . 4183 1 274 . 1 1 39 39 ALA H H 1 7.64 . . . . . . . . . . . 4183 1 275 . 1 1 39 39 ALA HA H 1 4.12 . . . . . . . . . . . 4183 1 276 . 1 1 39 39 ALA HB1 H 1 1.25 . . . . . . . . . . . 4183 1 277 . 1 1 39 39 ALA HB2 H 1 1.25 . . . . . . . . . . . 4183 1 278 . 1 1 39 39 ALA HB3 H 1 1.25 . . . . . . . . . . . 4183 1 279 . 1 1 39 39 ALA C C 13 176.86 . . . . . . . . . . . 4183 1 280 . 1 1 39 39 ALA CA C 13 52.67 . . . . . . . . . . . 4183 1 281 . 1 1 39 39 ALA CB C 13 19.29 . . . . . . . . . . . 4183 1 282 . 1 1 39 39 ALA N N 15 119.34 . . . . . . . . . . . 4183 1 283 . 1 1 40 40 THR H H 1 9.21 . . . . . . . . . . . 4183 1 284 . 1 1 40 40 THR HA H 1 4.90 . . . . . . . . . . . 4183 1 285 . 1 1 40 40 THR HB H 1 4.65 . . . . . . . . . . . 4183 1 286 . 1 1 40 40 THR HG21 H 1 1.22 . . . . . . . . . . . 4183 1 287 . 1 1 40 40 THR HG22 H 1 1.22 . . . . . . . . . . . 4183 1 288 . 1 1 40 40 THR HG23 H 1 1.22 . . . . . . . . . . . 4183 1 289 . 1 1 40 40 THR C C 13 174.87 . . . . . . . . . . . 4183 1 290 . 1 1 40 40 THR CA C 13 59.53 . . . . . . . . . . . 4183 1 291 . 1 1 40 40 THR CB C 13 70.78 . . . . . . . . . . . 4183 1 292 . 1 1 40 40 THR CG2 C 13 21.13 . . . . . . . . . . . 4183 1 293 . 1 1 40 40 THR N N 15 113.68 . . . . . . . . . . . 4183 1 294 . 1 1 41 41 SER H H 1 8.48 . . . . . . . . . . . 4183 1 295 . 1 1 41 41 SER HA H 1 4.72 . . . . . . . . . . . 4183 1 296 . 1 1 41 41 SER HB2 H 1 4.13 . . . . . . . . . . . 4183 1 297 . 1 1 41 41 SER HB3 H 1 4.03 . . . . . . . . . . . 4183 1 298 . 1 1 41 41 SER C C 13 174.55 . . . . . . . . . . . 4183 1 299 . 1 1 41 41 SER CA C 13 59.41 . . . . . . . . . . . 4183 1 300 . 1 1 41 41 SER CB C 13 63.33 . . . . . . . . . . . 4183 1 301 . 1 1 41 41 SER N N 15 111.71 . . . . . . . . . . . 4183 1 302 . 1 1 42 42 MET H H 1 7.99 . . . . . . . . . . . 4183 1 303 . 1 1 42 42 MET HA H 1 5.11 . . . . . . . . . . . 4183 1 304 . 1 1 42 42 MET HB2 H 1 2.03 . . . . . . . . . . . 4183 1 305 . 1 1 42 42 MET HB3 H 1 1.09 . . . . . . . . . . . 4183 1 306 . 1 1 42 42 MET HG2 H 1 2.56 . . . . . . . . . . . 4183 1 307 . 1 1 42 42 MET CA C 13 51.17 . . . . . . . . . . . 4183 1 308 . 1 1 42 42 MET CB C 13 33.18 . . . . . . . . . . . 4183 1 309 . 1 1 42 42 MET CG C 13 31.40 . . . . . . . . . . . 4183 1 310 . 1 1 42 42 MET N N 15 120.92 . . . . . . . . . . . 4183 1 311 . 1 1 43 43 PRO HA H 1 4.74 . . . . . . . . . . . 4183 1 312 . 1 1 43 43 PRO HB2 H 1 2.11 . . . . . . . . . . . 4183 1 313 . 1 1 43 43 PRO HB3 H 1 1.88 . . . . . . . . . . . 4183 1 314 . 1 1 43 43 PRO HG2 H 1 1.97 . . . . . . . . . . . 4183 1 315 . 1 1 43 43 PRO HD2 H 1 3.85 . . . . . . . . . . . 4183 1 316 . 1 1 43 43 PRO HD3 H 1 3.93 . . . . . . . . . . . 4183 1 317 . 1 1 43 43 PRO C C 13 177.17 . . . . . . . . . . . 4183 1 318 . 1 1 43 43 PRO CA C 13 62.7 . . . . . . . . . . . 4183 1 319 . 1 1 43 43 PRO CB C 13 31.65 . . . . . . . . . . . 4183 1 320 . 1 1 43 43 PRO CG C 13 27.08 . . . . . . . . . . . 4183 1 321 . 1 1 43 43 PRO CD C 13 50.60 . . . . . . . . . . . 4183 1 322 . 1 1 44 44 ARG H H 1 8.05 . . . . . . . . . . . 4183 1 323 . 1 1 44 44 ARG HA H 1 4.73 . . . . . . . . . . . 4183 1 324 . 1 1 44 44 ARG HB2 H 1 1.85 . . . . . . . . . . . 4183 1 325 . 1 1 44 44 ARG HG2 H 1 1.70 . . . . . . . . . . . 4183 1 326 . 1 1 44 44 ARG HG3 H 1 1.48 . . . . . . . . . . . 4183 1 327 . 1 1 44 44 ARG HD2 H 1 3.23 . . . . . . . . . . . 4183 1 328 . 1 1 44 44 ARG HE H 1 8.73 . . . . . . . . . . . 4183 1 329 . 1 1 44 44 ARG C C 13 174.40 . . . . . . . . . . . 4183 1 330 . 1 1 44 44 ARG CA C 13 54.63 . . . . . . . . . . . 4183 1 331 . 1 1 44 44 ARG CB C 13 33.45 . . . . . . . . . . . 4183 1 332 . 1 1 44 44 ARG CG C 13 27.00 . . . . . . . . . . . 4183 1 333 . 1 1 44 44 ARG CD C 13 42.95 . . . . . . . . . . . 4183 1 334 . 1 1 44 44 ARG N N 15 118.27 . . . . . . . . . . . 4183 1 335 . 1 1 44 44 ARG NE N 15 85.20 . . . . . . . . . . . 4183 1 336 . 1 1 45 45 LYS H H 1 8.60 . . . . . . . . . . . 4183 1 337 . 1 1 45 45 LYS HA H 1 5.22 . . . . . . . . . . . 4183 1 338 . 1 1 45 45 LYS HB2 H 1 1.78 . . . . . . . . . . . 4183 1 339 . 1 1 45 45 LYS HB3 H 1 1.47 . . . . . . . . . . . 4183 1 340 . 1 1 45 45 LYS HG2 H 1 1.49 . . . . . . . . . . . 4183 1 341 . 1 1 45 45 LYS HG3 H 1 1.37 . . . . . . . . . . . 4183 1 342 . 1 1 45 45 LYS HD2 H 1 1.69 . . . . . . . . . . . 4183 1 343 . 1 1 45 45 LYS HE2 H 1 2.97 . . . . . . . . . . . 4183 1 344 . 1 1 45 45 LYS C C 13 176.22 . . . . . . . . . . . 4183 1 345 . 1 1 45 45 LYS CA C 13 55.51 . . . . . . . . . . . 4183 1 346 . 1 1 45 45 LYS CB C 13 33.45 . . . . . . . . . . . 4183 1 347 . 1 1 45 45 LYS CG C 13 24.90 . . . . . . . . . . . 4183 1 348 . 1 1 45 45 LYS CD C 13 28.8 . . . . . . . . . . . 4183 1 349 . 1 1 45 45 LYS CE C 13 41.75 . . . . . . . . . . . 4183 1 350 . 1 1 45 45 LYS N N 15 122.88 . . . . . . . . . . . 4183 1 351 . 1 1 46 46 VAL H H 1 9.23 . . . . . . . . . . . 4183 1 352 . 1 1 46 46 VAL HA H 1 4.70 . . . . . . . . . . . 4183 1 353 . 1 1 46 46 VAL HB H 1 2.32 . . . . . . . . . . . 4183 1 354 . 1 1 46 46 VAL HG11 H 1 0.84 . . . . . . . . . . . 4183 1 355 . 1 1 46 46 VAL HG12 H 1 0.84 . . . . . . . . . . . 4183 1 356 . 1 1 46 46 VAL HG13 H 1 0.84 . . . . . . . . . . . 4183 1 357 . 1 1 46 46 VAL HG21 H 1 0.64 . . . . . . . . . . . 4183 1 358 . 1 1 46 46 VAL HG22 H 1 0.64 . . . . . . . . . . . 4183 1 359 . 1 1 46 46 VAL HG23 H 1 0.64 . . . . . . . . . . . 4183 1 360 . 1 1 46 46 VAL C C 13 173.36 . . . . . . . . . . . 4183 1 361 . 1 1 46 46 VAL CA C 13 59.29 . . . . . . . . . . . 4183 1 362 . 1 1 46 46 VAL CB C 13 36.44 . . . . . . . . . . . 4183 1 363 . 1 1 46 46 VAL CG1 C 13 21.80 . . . . . . . . . . . 4183 1 364 . 1 1 46 46 VAL CG2 C 13 18.86 . . . . . . . . . . . 4183 1 365 . 1 1 46 46 VAL N N 15 115.72 . . . . . . . . . . . 4183 1 366 . 1 1 47 47 ARG H H 1 8.95 . . . . . . . . . . . 4183 1 367 . 1 1 47 47 ARG HA H 1 5.33 . . . . . . . . . . . 4183 1 368 . 1 1 47 47 ARG HB2 H 1 1.71 . . . . . . . . . . . 4183 1 369 . 1 1 47 47 ARG HB3 H 1 1.56 . . . . . . . . . . . 4183 1 370 . 1 1 47 47 ARG HG2 H 1 1.33 . . . . . . . . . . . 4183 1 371 . 1 1 47 47 ARG HD2 H 1 3.27 . . . . . . . . . . . 4183 1 372 . 1 1 47 47 ARG HE H 1 7.36 . . . . . . . . . . . 4183 1 373 . 1 1 47 47 ARG C C 13 177.22 . . . . . . . . . . . 4183 1 374 . 1 1 47 47 ARG CA C 13 53.55 . . . . . . . . . . . 4183 1 375 . 1 1 47 47 ARG CB C 13 33.45 . . . . . . . . . . . 4183 1 376 . 1 1 47 47 ARG CG C 13 27.70 . . . . . . . . . . . 4183 1 377 . 1 1 47 47 ARG CD C 13 42.65 . . . . . . . . . . . 4183 1 378 . 1 1 47 47 ARG N N 15 118.28 . . . . . . . . . . . 4183 1 379 . 1 1 47 47 ARG NE N 15 81.90 . . . . . . . . . . . 4183 1 380 . 1 1 48 48 ILE H H 1 8.66 . . . . . . . . . . . 4183 1 381 . 1 1 48 48 ILE HA H 1 4.05 . . . . . . . . . . . 4183 1 382 . 1 1 48 48 ILE HB H 1 2.24 . . . . . . . . . . . 4183 1 383 . 1 1 48 48 ILE HG12 H 1 1.42 . . . . . . . . . . . 4183 1 384 . 1 1 48 48 ILE HG13 H 1 1.13 . . . . . . . . . . . 4183 1 385 . 1 1 48 48 ILE HG21 H 1 0.72 . . . . . . . . . . . 4183 1 386 . 1 1 48 48 ILE HG22 H 1 0.72 . . . . . . . . . . . 4183 1 387 . 1 1 48 48 ILE HG23 H 1 0.72 . . . . . . . . . . . 4183 1 388 . 1 1 48 48 ILE HD11 H 1 0.57 . . . . . . . . . . . 4183 1 389 . 1 1 48 48 ILE HD12 H 1 0.57 . . . . . . . . . . . 4183 1 390 . 1 1 48 48 ILE HD13 H 1 0.57 . . . . . . . . . . . 4183 1 391 . 1 1 48 48 ILE C C 13 177.58 . . . . . . . . . . . 4183 1 392 . 1 1 48 48 ILE CA C 13 61.44 . . . . . . . . . . . 4183 1 393 . 1 1 48 48 ILE CB C 13 36.22 . . . . . . . . . . . 4183 1 394 . 1 1 48 48 ILE CG1 C 13 26.60 . . . . . . . . . . . 4183 1 395 . 1 1 48 48 ILE CG2 C 13 17.97 . . . . . . . . . . . 4183 1 396 . 1 1 48 48 ILE CD1 C 13 11.86 . . . . . . . . . . . 4183 1 397 . 1 1 48 48 ILE N N 15 123.03 . . . . . . . . . . . 4183 1 398 . 1 1 49 49 VAL H H 1 9.16 . . . . . . . . . . . 4183 1 399 . 1 1 49 49 VAL HA H 1 4.66 . . . . . . . . . . . 4183 1 400 . 1 1 49 49 VAL HB H 1 2.11 . . . . . . . . . . . 4183 1 401 . 1 1 49 49 VAL HG11 H 1 0.80 . . . . . . . . . . . 4183 1 402 . 1 1 49 49 VAL HG12 H 1 0.80 . . . . . . . . . . . 4183 1 403 . 1 1 49 49 VAL HG13 H 1 0.80 . . . . . . . . . . . 4183 1 404 . 1 1 49 49 VAL HG21 H 1 0.57 . . . . . . . . . . . 4183 1 405 . 1 1 49 49 VAL HG22 H 1 0.57 . . . . . . . . . . . 4183 1 406 . 1 1 49 49 VAL HG23 H 1 0.57 . . . . . . . . . . . 4183 1 407 . 1 1 49 49 VAL C C 13 175.62 . . . . . . . . . . . 4183 1 408 . 1 1 49 49 VAL CA C 13 61.08 . . . . . . . . . . . 4183 1 409 . 1 1 49 49 VAL CB C 13 33.20 . . . . . . . . . . . 4183 1 410 . 1 1 49 49 VAL CG1 C 13 21.31 . . . . . . . . . . . 4183 1 411 . 1 1 49 49 VAL CG2 C 13 18.96 . . . . . . . . . . . 4183 1 412 . 1 1 49 49 VAL N N 15 120.93 . . . . . . . . . . . 4183 1 413 . 1 1 50 50 GLN H H 1 7.64 . . . . . . . . . . . 4183 1 414 . 1 1 50 50 GLN HA H 1 4.37 . . . . . . . . . . . 4183 1 415 . 1 1 50 50 GLN HB2 H 1 2.05 . . . . . . . . . . . 4183 1 416 . 1 1 50 50 GLN HB3 H 1 1.72 . . . . . . . . . . . 4183 1 417 . 1 1 50 50 GLN HG2 H 1 2.35 . . . . . . . . . . . 4183 1 418 . 1 1 50 50 GLN HG3 H 1 2.17 . . . . . . . . . . . 4183 1 419 . 1 1 50 50 GLN HE21 H 1 7.73 . . . . . . . . . . . 4183 1 420 . 1 1 50 50 GLN HE22 H 1 6.82 . . . . . . . . . . . 4183 1 421 . 1 1 50 50 GLN C C 13 173.72 . . . . . . . . . . . 4183 1 422 . 1 1 50 50 GLN CA C 13 57.03 . . . . . . . . . . . 4183 1 423 . 1 1 50 50 GLN CB C 13 33.07 . . . . . . . . . . . 4183 1 424 . 1 1 50 50 GLN CG C 13 34.79 . . . . . . . . . . . 4183 1 425 . 1 1 50 50 GLN N N 15 119.33 . . . . . . . . . . . 4183 1 426 . 1 1 50 50 GLN NE2 N 15 109.87 . . . . . . . . . . . 4183 1 427 . 1 1 51 51 ILE H H 1 8.78 . . . . . . . . . . . 4183 1 428 . 1 1 51 51 ILE HA H 1 4.35 . . . . . . . . . . . 4183 1 429 . 1 1 51 51 ILE HB H 1 1.74 . . . . . . . . . . . 4183 1 430 . 1 1 51 51 ILE HG12 H 1 1.37 . . . . . . . . . . . 4183 1 431 . 1 1 51 51 ILE HG13 H 1 0.93 . . . . . . . . . . . 4183 1 432 . 1 1 51 51 ILE HG21 H 1 0.79 . . . . . . . . . . . 4183 1 433 . 1 1 51 51 ILE HG22 H 1 0.79 . . . . . . . . . . . 4183 1 434 . 1 1 51 51 ILE HG23 H 1 0.79 . . . . . . . . . . . 4183 1 435 . 1 1 51 51 ILE HD11 H 1 0.73 . . . . . . . . . . . 4183 1 436 . 1 1 51 51 ILE HD12 H 1 0.73 . . . . . . . . . . . 4183 1 437 . 1 1 51 51 ILE HD13 H 1 0.73 . . . . . . . . . . . 4183 1 438 . 1 1 51 51 ILE C C 13 174.32 . . . . . . . . . . . 4183 1 439 . 1 1 51 51 ILE CA C 13 61.45 . . . . . . . . . . . 4183 1 440 . 1 1 51 51 ILE CB C 13 39.83 . . . . . . . . . . . 4183 1 441 . 1 1 51 51 ILE CG1 C 13 28.00 . . . . . . . . . . . 4183 1 442 . 1 1 51 51 ILE CG2 C 13 17.30 . . . . . . . . . . . 4183 1 443 . 1 1 51 51 ILE CD1 C 13 13.46 . . . . . . . . . . . 4183 1 444 . 1 1 51 51 ILE N N 15 123.39 . . . . . . . . . . . 4183 1 445 . 1 1 52 52 ASN H H 1 8.22 . . . . . . . . . . . 4183 1 446 . 1 1 52 52 ASN HA H 1 4.77 . . . . . . . . . . . 4183 1 447 . 1 1 52 52 ASN HB2 H 1 2.77 . . . . . . . . . . . 4183 1 448 . 1 1 52 52 ASN HD21 H 1 6.80 . . . . . . . . . . . 4183 1 449 . 1 1 52 52 ASN HD22 H 1 7.44 . . . . . . . . . . . 4183 1 450 . 1 1 52 52 ASN C C 13 175.26 . . . . . . . . . . . 4183 1 451 . 1 1 52 52 ASN CA C 13 52.91 . . . . . . . . . . . 4183 1 452 . 1 1 52 52 ASN CB C 13 38.69 . . . . . . . . . . . 4183 1 453 . 1 1 52 52 ASN N N 15 119.97 . . . . . . . . . . . 4183 1 454 . 1 1 52 52 ASN ND2 N 15 109.62 . . . . . . . . . . . 4183 1 455 . 1 1 53 53 GLU H H 1 8.52 . . . . . . . . . . . 4183 1 456 . 1 1 53 53 GLU HA H 1 4.07 . . . . . . . . . . . 4183 1 457 . 1 1 53 53 GLU HB2 H 1 1.82 . . . . . . . . . . . 4183 1 458 . 1 1 53 53 GLU HG2 H 1 2.12 . . . . . . . . . . . 4183 1 459 . 1 1 53 53 GLU C C 13 176.92 . . . . . . . . . . . 4183 1 460 . 1 1 53 53 GLU CA C 13 56.65 . . . . . . . . . . . 4183 1 461 . 1 1 53 53 GLU CB C 13 29.86 . . . . . . . . . . . 4183 1 462 . 1 1 53 53 GLU CG C 13 35.99 . . . . . . . . . . . 4183 1 463 . 1 1 53 53 GLU N N 15 119.74 . . . . . . . . . . . 4183 1 464 . 1 1 54 54 ILE H H 1 7.90 . . . . . . . . . . . 4183 1 465 . 1 1 54 54 ILE HA H 1 3.96 . . . . . . . . . . . 4183 1 466 . 1 1 54 54 ILE HB H 1 1.76 . . . . . . . . . . . 4183 1 467 . 1 1 54 54 ILE HG12 H 1 1.24 . . . . . . . . . . . 4183 1 468 . 1 1 54 54 ILE HG13 H 1 1.03 . . . . . . . . . . . 4183 1 469 . 1 1 54 54 ILE HG21 H 1 0.73 . . . . . . . . . . . 4183 1 470 . 1 1 54 54 ILE HG22 H 1 0.73 . . . . . . . . . . . 4183 1 471 . 1 1 54 54 ILE HG23 H 1 0.73 . . . . . . . . . . . 4183 1 472 . 1 1 54 54 ILE HD11 H 1 0.74 . . . . . . . . . . . 4183 1 473 . 1 1 54 54 ILE HD12 H 1 0.74 . . . . . . . . . . . 4183 1 474 . 1 1 54 54 ILE HD13 H 1 0.74 . . . . . . . . . . . 4183 1 475 . 1 1 54 54 ILE C C 13 174.92 . . . . . . . . . . . 4183 1 476 . 1 1 54 54 ILE CA C 13 61.10 . . . . . . . . . . . 4183 1 477 . 1 1 54 54 ILE CB C 13 38.40 . . . . . . . . . . . 4183 1 478 . 1 1 54 54 ILE CG1 C 13 26.60 . . . . . . . . . . . 4183 1 479 . 1 1 54 54 ILE CG2 C 13 17.30 . . . . . . . . . . . 4183 1 480 . 1 1 54 54 ILE CD1 C 13 12.90 . . . . . . . . . . . 4183 1 481 . 1 1 54 54 ILE N N 15 118.04 . . . . . . . . . . . 4183 1 482 . 1 1 55 55 PHE H H 1 7.98 . . . . . . . . . . . 4183 1 483 . 1 1 55 55 PHE HA H 1 4.56 . . . . . . . . . . . 4183 1 484 . 1 1 55 55 PHE HB2 H 1 3.15 . . . . . . . . . . . 4183 1 485 . 1 1 55 55 PHE HB3 H 1 2.98 . . . . . . . . . . . 4183 1 486 . 1 1 55 55 PHE HD1 H 1 7.22 . . . . . . . . . . . 4183 1 487 . 1 1 55 55 PHE HE1 H 1 7.31 . . . . . . . . . . . 4183 1 488 . 1 1 55 55 PHE C C 13 176.06 . . . . . . . . . . . 4183 1 489 . 1 1 55 55 PHE CA C 13 57.38 . . . . . . . . . . . 4183 1 490 . 1 1 55 55 PHE CB C 13 38.88 . . . . . . . . . . . 4183 1 491 . 1 1 55 55 PHE N N 15 119.97 . . . . . . . . . . . 4183 1 492 . 1 1 56 56 GLN H H 1 8.10 . . . . . . . . . . . 4183 1 493 . 1 1 56 56 GLN HA H 1 4.25 . . . . . . . . . . . 4183 1 494 . 1 1 56 56 GLN HB2 H 1 2.08 . . . . . . . . . . . 4183 1 495 . 1 1 56 56 GLN HB3 H 1 1.94 . . . . . . . . . . . 4183 1 496 . 1 1 56 56 GLN HG2 H 1 2.24 . . . . . . . . . . . 4183 1 497 . 1 1 56 56 GLN HE21 H 1 7.48 . . . . . . . . . . . 4183 1 498 . 1 1 56 56 GLN HE22 H 1 6.74 . . . . . . . . . . . 4183 1 499 . 1 1 56 56 GLN C C 13 176.19 . . . . . . . . . . . 4183 1 500 . 1 1 56 56 GLN CA C 13 55.58 . . . . . . . . . . . 4183 1 501 . 1 1 56 56 GLN CB C 13 29.00 . . . . . . . . . . . 4183 1 502 . 1 1 56 56 GLN CG C 13 33.64 . . . . . . . . . . . 4183 1 503 . 1 1 56 56 GLN N N 15 119.03 . . . . . . . . . . . 4183 1 504 . 1 1 56 56 GLN NE2 N 15 109.62 . . . . . . . . . . . 4183 1 505 . 1 1 57 57 VAL H H 1 7.88 . . . . . . . . . . . 4183 1 506 . 1 1 57 57 VAL HA H 1 4.01 . . . . . . . . . . . 4183 1 507 . 1 1 57 57 VAL HB H 1 2.06 . . . . . . . . . . . 4183 1 508 . 1 1 57 57 VAL HG11 H 1 0.91 . . . . . . . . . . . 4183 1 509 . 1 1 57 57 VAL HG12 H 1 0.91 . . . . . . . . . . . 4183 1 510 . 1 1 57 57 VAL HG13 H 1 0.91 . . . . . . . . . . . 4183 1 511 . 1 1 57 57 VAL C C 13 176.52 . . . . . . . . . . . 4183 1 512 . 1 1 57 57 VAL CA C 13 61.96 . . . . . . . . . . . 4183 1 513 . 1 1 57 57 VAL CB C 13 32.60 . . . . . . . . . . . 4183 1 514 . 1 1 57 57 VAL CG1 C 13 20.63 . . . . . . . . . . . 4183 1 515 . 1 1 57 57 VAL N N 15 117.75 . . . . . . . . . . . 4183 1 516 . 1 1 58 58 GLU H H 1 8.50 . . . . . . . . . . . 4183 1 517 . 1 1 58 58 GLU HA H 1 4.30 . . . . . . . . . . . 4183 1 518 . 1 1 58 58 GLU HB2 H 1 2.11 . . . . . . . . . . . 4183 1 519 . 1 1 58 58 GLU HB3 H 1 2.04 . . . . . . . . . . . 4183 1 520 . 1 1 58 58 GLU HG2 H 1 2.23 . . . . . . . . . . . 4183 1 521 . 1 1 58 58 GLU C C 13 177.22 . . . . . . . . . . . 4183 1 522 . 1 1 58 58 GLU CA C 13 56.76 . . . . . . . . . . . 4183 1 523 . 1 1 58 58 GLU CB C 13 29.18 . . . . . . . . . . . 4183 1 524 . 1 1 58 58 GLU CG C 13 36.44 . . . . . . . . . . . 4183 1 525 . 1 1 58 58 GLU N N 15 120.84 . . . . . . . . . . . 4183 1 526 . 1 1 59 59 THR H H 1 7.93 . . . . . . . . . . . 4183 1 527 . 1 1 59 59 THR HA H 1 4.43 . . . . . . . . . . . 4183 1 528 . 1 1 59 59 THR HB H 1 4.35 . . . . . . . . . . . 4183 1 529 . 1 1 59 59 THR HG21 H 1 1.23 . . . . . . . . . . . 4183 1 530 . 1 1 59 59 THR HG22 H 1 1.23 . . . . . . . . . . . 4183 1 531 . 1 1 59 59 THR HG23 H 1 1.23 . . . . . . . . . . . 4183 1 532 . 1 1 59 59 THR C C 13 175.56 . . . . . . . . . . . 4183 1 533 . 1 1 59 59 THR CA C 13 61.59 . . . . . . . . . . . 4183 1 534 . 1 1 59 59 THR CB C 13 69.79 . . . . . . . . . . . 4183 1 535 . 1 1 59 59 THR CG2 C 13 21.67 . . . . . . . . . . . 4183 1 536 . 1 1 59 59 THR N N 15 112.69 . . . . . . . . . . . 4183 1 537 . 1 1 60 60 ASP H H 1 8.68 . . . . . . . . . . . 4183 1 538 . 1 1 60 60 ASP HA H 1 4.58 . . . . . . . . . . . 4183 1 539 . 1 1 60 60 ASP HB2 H 1 2.73 . . . . . . . . . . . 4183 1 540 . 1 1 60 60 ASP C C 13 178.29 . . . . . . . . . . . 4183 1 541 . 1 1 60 60 ASP CA C 13 55.71 . . . . . . . . . . . 4183 1 542 . 1 1 60 60 ASP CB C 13 40.26 . . . . . . . . . . . 4183 1 543 . 1 1 60 60 ASP N N 15 121.18 . . . . . . . . . . . 4183 1 544 . 1 1 61 61 GLN H H 1 8.34 . . . . . . . . . . . 4183 1 545 . 1 1 61 61 GLN HA H 1 4.16 . . . . . . . . . . . 4183 1 546 . 1 1 61 61 GLN HB2 H 1 1.94 . . . . . . . . . . . 4183 1 547 . 1 1 61 61 GLN HB3 H 1 1.86 . . . . . . . . . . . 4183 1 548 . 1 1 61 61 GLN HG2 H 1 2.22 . . . . . . . . . . . 4183 1 549 . 1 1 61 61 GLN C C 13 177.52 . . . . . . . . . . . 4183 1 550 . 1 1 61 61 GLN CA C 13 57.82 . . . . . . . . . . . 4183 1 551 . 1 1 61 61 GLN CB C 13 28.97 . . . . . . . . . . . 4183 1 552 . 1 1 61 61 GLN CG C 13 34.39 . . . . . . . . . . . 4183 1 553 . 1 1 61 61 GLN N N 15 117.16 . . . . . . . . . . . 4183 1 554 . 1 1 62 62 PHE H H 1 8.13 . . . . . . . . . . . 4183 1 555 . 1 1 62 62 PHE HA H 1 4.33 . . . . . . . . . . . 4183 1 556 . 1 1 62 62 PHE HB2 H 1 3.23 . . . . . . . . . . . 4183 1 557 . 1 1 62 62 PHE HB3 H 1 3.14 . . . . . . . . . . . 4183 1 558 . 1 1 62 62 PHE HD1 H 1 7.24 . . . . . . . . . . . 4183 1 559 . 1 1 62 62 PHE HE1 H 1 7.31 . . . . . . . . . . . 4183 1 560 . 1 1 62 62 PHE C C 13 178.22 . . . . . . . . . . . 4183 1 561 . 1 1 62 62 PHE CA C 13 60.27 . . . . . . . . . . . 4183 1 562 . 1 1 62 62 PHE CB C 13 38.59 . . . . . . . . . . . 4183 1 563 . 1 1 62 62 PHE N N 15 117.79 . . . . . . . . . . . 4183 1 564 . 1 1 63 63 THR H H 1 8.19 . . . . . . . . . . . 4183 1 565 . 1 1 63 63 THR HA H 1 3.93 . . . . . . . . . . . 4183 1 566 . 1 1 63 63 THR HB H 1 4.28 . . . . . . . . . . . 4183 1 567 . 1 1 63 63 THR HG21 H 1 1.29 . . . . . . . . . . . 4183 1 568 . 1 1 63 63 THR HG22 H 1 1.29 . . . . . . . . . . . 4183 1 569 . 1 1 63 63 THR HG23 H 1 1.29 . . . . . . . . . . . 4183 1 570 . 1 1 63 63 THR C C 13 176.50 . . . . . . . . . . . 4183 1 571 . 1 1 63 63 THR CA C 13 65.34 . . . . . . . . . . . 4183 1 572 . 1 1 63 63 THR CB C 13 68.37 . . . . . . . . . . . 4183 1 573 . 1 1 63 63 THR CG2 C 13 21.70 . . . . . . . . . . . 4183 1 574 . 1 1 63 63 THR N N 15 114.02 . . . . . . . . . . . 4183 1 575 . 1 1 64 64 GLN H H 1 7.99 . . . . . . . . . . . 4183 1 576 . 1 1 64 64 GLN HA H 1 4.16 . . . . . . . . . . . 4183 1 577 . 1 1 64 64 GLN HB2 H 1 2.12 . . . . . . . . . . . 4183 1 578 . 1 1 64 64 GLN HG2 H 1 2.53 . . . . . . . . . . . 4183 1 579 . 1 1 64 64 GLN HG3 H 1 2.37 . . . . . . . . . . . 4183 1 580 . 1 1 64 64 GLN HE21 H 1 7.52 . . . . . . . . . . . 4183 1 581 . 1 1 64 64 GLN HE22 H 1 6.93 . . . . . . . . . . . 4183 1 582 . 1 1 64 64 GLN C C 13 179.07 . . . . . . . . . . . 4183 1 583 . 1 1 64 64 GLN CA C 13 58.53 . . . . . . . . . . . 4183 1 584 . 1 1 64 64 GLN CB C 13 28.72 . . . . . . . . . . . 4183 1 585 . 1 1 64 64 GLN CG C 13 34.31 . . . . . . . . . . . 4183 1 586 . 1 1 64 64 GLN N N 15 119.14 . . . . . . . . . . . 4183 1 587 . 1 1 65 65 LEU H H 1 7.74 . . . . . . . . . . . 4183 1 588 . 1 1 65 65 LEU HA H 1 3.97 . . . . . . . . . . . 4183 1 589 . 1 1 65 65 LEU HB2 H 1 1.85 . . . . . . . . . . . 4183 1 590 . 1 1 65 65 LEU HB3 H 1 1.55 . . . . . . . . . . . 4183 1 591 . 1 1 65 65 LEU HG H 1 1.75 . . . . . . . . . . . 4183 1 592 . 1 1 65 65 LEU HD11 H 1 0.81 . . . . . . . . . . . 4183 1 593 . 1 1 65 65 LEU HD12 H 1 0.81 . . . . . . . . . . . 4183 1 594 . 1 1 65 65 LEU HD13 H 1 0.81 . . . . . . . . . . . 4183 1 595 . 1 1 65 65 LEU HD21 H 1 0.71 . . . . . . . . . . . 4183 1 596 . 1 1 65 65 LEU HD22 H 1 0.71 . . . . . . . . . . . 4183 1 597 . 1 1 65 65 LEU HD23 H 1 0.71 . . . . . . . . . . . 4183 1 598 . 1 1 65 65 LEU C C 13 179.22 . . . . . . . . . . . 4183 1 599 . 1 1 65 65 LEU CA C 13 57.76 . . . . . . . . . . . 4183 1 600 . 1 1 65 65 LEU CB C 13 40.66 . . . . . . . . . . . 4183 1 601 . 1 1 65 65 LEU CG C 13 26.71 . . . . . . . . . . . 4183 1 602 . 1 1 65 65 LEU CD1 C 13 25.45 . . . . . . . . . . . 4183 1 603 . 1 1 65 65 LEU CD2 C 13 23.31 . . . . . . . . . . . 4183 1 604 . 1 1 65 65 LEU N N 15 117.56 . . . . . . . . . . . 4183 1 605 . 1 1 66 66 LEU H H 1 7.80 . . . . . . . . . . . 4183 1 606 . 1 1 66 66 LEU HA H 1 4.08 . . . . . . . . . . . 4183 1 607 . 1 1 66 66 LEU HB2 H 1 1.59 . . . . . . . . . . . 4183 1 608 . 1 1 66 66 LEU HB3 H 1 1.74 . . . . . . . . . . . 4183 1 609 . 1 1 66 66 LEU HG H 1 1.57 . . . . . . . . . . . 4183 1 610 . 1 1 66 66 LEU HD11 H 1 0.85 . . . . . . . . . . . 4183 1 611 . 1 1 66 66 LEU HD12 H 1 0.85 . . . . . . . . . . . 4183 1 612 . 1 1 66 66 LEU HD13 H 1 0.85 . . . . . . . . . . . 4183 1 613 . 1 1 66 66 LEU C C 13 181.46 . . . . . . . . . . . 4183 1 614 . 1 1 66 66 LEU CA C 13 57.24 . . . . . . . . . . . 4183 1 615 . 1 1 66 66 LEU CB C 13 41.48 . . . . . . . . . . . 4183 1 616 . 1 1 66 66 LEU CG C 13 26.00 . . . . . . . . . . . 4183 1 617 . 1 1 66 66 LEU CD1 C 13 24.4 . . . . . . . . . . . 4183 1 618 . 1 1 66 66 LEU CD2 C 13 23.20 . . . . . . . . . . . 4183 1 619 . 1 1 66 66 LEU N N 15 118.76 . . . . . . . . . . . 4183 1 620 . 1 1 67 67 ASP H H 1 8.46 . . . . . . . . . . . 4183 1 621 . 1 1 67 67 ASP HA H 1 4.42 . . . . . . . . . . . 4183 1 622 . 1 1 67 67 ASP HB2 H 1 2.71 . . . . . . . . . . . 4183 1 623 . 1 1 67 67 ASP HB3 H 1 2.67 . . . . . . . . . . . 4183 1 624 . 1 1 67 67 ASP C C 13 177.58 . . . . . . . . . . . 4183 1 625 . 1 1 67 67 ASP CA C 13 56.13 . . . . . . . . . . . 4183 1 626 . 1 1 67 67 ASP CB C 13 40.56 . . . . . . . . . . . 4183 1 627 . 1 1 67 67 ASP N N 15 119.78 . . . . . . . . . . . 4183 1 628 . 1 1 68 68 ALA H H 1 7.48 . . . . . . . . . . . 4183 1 629 . 1 1 68 68 ALA HA H 1 4.35 . . . . . . . . . . . 4183 1 630 . 1 1 68 68 ALA HB1 H 1 1.42 . . . . . . . . . . . 4183 1 631 . 1 1 68 68 ALA HB2 H 1 1.42 . . . . . . . . . . . 4183 1 632 . 1 1 68 68 ALA HB3 H 1 1.42 . . . . . . . . . . . 4183 1 633 . 1 1 68 68 ALA C C 13 176.42 . . . . . . . . . . . 4183 1 634 . 1 1 68 68 ALA CA C 13 51.62 . . . . . . . . . . . 4183 1 635 . 1 1 68 68 ALA CB C 13 18.56 . . . . . . . . . . . 4183 1 636 . 1 1 68 68 ALA N N 15 118.27 . . . . . . . . . . . 4183 1 637 . 1 1 69 69 ASP H H 1 8.25 . . . . . . . . . . . 4183 1 638 . 1 1 69 69 ASP HA H 1 4.31 . . . . . . . . . . . 4183 1 639 . 1 1 69 69 ASP HB2 H 1 3.09 . . . . . . . . . . . 4183 1 640 . 1 1 69 69 ASP HB3 H 1 2.51 . . . . . . . . . . . 4183 1 641 . 1 1 69 69 ASP C C 13 174.59 . . . . . . . . . . . 4183 1 642 . 1 1 69 69 ASP CA C 13 54.62 . . . . . . . . . . . 4183 1 643 . 1 1 69 69 ASP CB C 13 39.69 . . . . . . . . . . . 4183 1 644 . 1 1 69 69 ASP N N 15 117.51 . . . . . . . . . . . 4183 1 645 . 1 1 70 70 ILE H H 1 7.87 . . . . . . . . . . . 4183 1 646 . 1 1 70 70 ILE HA H 1 3.58 . . . . . . . . . . . 4183 1 647 . 1 1 70 70 ILE HB H 1 1.59 . . . . . . . . . . . 4183 1 648 . 1 1 70 70 ILE HG12 H 1 1.54 . . . . . . . . . . . 4183 1 649 . 1 1 70 70 ILE HG13 H 1 0.46 . . . . . . . . . . . 4183 1 650 . 1 1 70 70 ILE HG21 H 1 0.51 . . . . . . . . . . . 4183 1 651 . 1 1 70 70 ILE HG22 H 1 0.51 . . . . . . . . . . . 4183 1 652 . 1 1 70 70 ILE HG23 H 1 0.51 . . . . . . . . . . . 4183 1 653 . 1 1 70 70 ILE HD11 H 1 0.68 . . . . . . . . . . . 4183 1 654 . 1 1 70 70 ILE HD12 H 1 0.68 . . . . . . . . . . . 4183 1 655 . 1 1 70 70 ILE HD13 H 1 0.68 . . . . . . . . . . . 4183 1 656 . 1 1 70 70 ILE C C 13 173.75 . . . . . . . . . . . 4183 1 657 . 1 1 70 70 ILE CA C 13 61.44 . . . . . . . . . . . 4183 1 658 . 1 1 70 70 ILE CB C 13 36.81 . . . . . . . . . . . 4183 1 659 . 1 1 70 70 ILE CG1 C 13 27.14 . . . . . . . . . . . 4183 1 660 . 1 1 70 70 ILE CG2 C 13 17.71 . . . . . . . . . . . 4183 1 661 . 1 1 70 70 ILE CD1 C 13 13.31 . . . . . . . . . . . 4183 1 662 . 1 1 70 70 ILE N N 15 115.98 . . . . . . . . . . . 4183 1 663 . 1 1 71 71 ARG H H 1 8.09 . . . . . . . . . . . 4183 1 664 . 1 1 71 71 ARG HA H 1 4.49 . . . . . . . . . . . 4183 1 665 . 1 1 71 71 ARG HB2 H 1 1.89 . . . . . . . . . . . 4183 1 666 . 1 1 71 71 ARG HB3 H 1 1.60 . . . . . . . . . . . 4183 1 667 . 1 1 71 71 ARG HG2 H 1 1.40 . . . . . . . . . . . 4183 1 668 . 1 1 71 71 ARG HG3 H 1 1.29 . . . . . . . . . . . 4183 1 669 . 1 1 71 71 ARG HD2 H 1 3.10 . . . . . . . . . . . 4183 1 670 . 1 1 71 71 ARG HE H 1 7.32 . . . . . . . . . . . 4183 1 671 . 1 1 71 71 ARG C C 13 176.42 . . . . . . . . . . . 4183 1 672 . 1 1 71 71 ARG CA C 13 53.00 . . . . . . . . . . . 4183 1 673 . 1 1 71 71 ARG CB C 13 33.10 . . . . . . . . . . . 4183 1 674 . 1 1 71 71 ARG CG C 13 25.50 . . . . . . . . . . . 4183 1 675 . 1 1 71 71 ARG CD C 13 43.00 . . . . . . . . . . . 4183 1 676 . 1 1 71 71 ARG N N 15 120.81 . . . . . . . . . . . 4183 1 677 . 1 1 71 71 ARG NE N 15 83.90 . . . . . . . . . . . 4183 1 678 . 1 1 72 72 VAL H H 1 8.48 . . . . . . . . . . . 4183 1 679 . 1 1 72 72 VAL HA H 1 3.26 . . . . . . . . . . . 4183 1 680 . 1 1 72 72 VAL HB H 1 1.92 . . . . . . . . . . . 4183 1 681 . 1 1 72 72 VAL HG11 H 1 0.93 . . . . . . . . . . . 4183 1 682 . 1 1 72 72 VAL HG12 H 1 0.93 . . . . . . . . . . . 4183 1 683 . 1 1 72 72 VAL HG13 H 1 0.93 . . . . . . . . . . . 4183 1 684 . 1 1 72 72 VAL HG21 H 1 0.88 . . . . . . . . . . . 4183 1 685 . 1 1 72 72 VAL HG22 H 1 0.88 . . . . . . . . . . . 4183 1 686 . 1 1 72 72 VAL HG23 H 1 0.88 . . . . . . . . . . . 4183 1 687 . 1 1 72 72 VAL C C 13 177.72 . . . . . . . . . . . 4183 1 688 . 1 1 72 72 VAL CA C 13 66.44 . . . . . . . . . . . 4183 1 689 . 1 1 72 72 VAL CB C 13 30.49 . . . . . . . . . . . 4183 1 690 . 1 1 72 72 VAL CG1 C 13 22.68 . . . . . . . . . . . 4183 1 691 . 1 1 72 72 VAL CG2 C 13 21.09 . . . . . . . . . . . 4183 1 692 . 1 1 72 72 VAL N N 15 119.06 . . . . . . . . . . . 4183 1 693 . 1 1 73 73 GLY H H 1 8.88 . . . . . . . . . . . 4183 1 694 . 1 1 73 73 GLY HA2 H 1 4.52 . . . . . . . . . . . 4183 1 695 . 1 1 73 73 GLY HA3 H 1 3.55 . . . . . . . . . . . 4183 1 696 . 1 1 73 73 GLY C C 13 175.42 . . . . . . . . . . . 4183 1 697 . 1 1 73 73 GLY CA C 13 44.4 . . . . . . . . . . . 4183 1 698 . 1 1 73 73 GLY N N 15 115.71 . . . . . . . . . . . 4183 1 699 . 1 1 74 74 SER H H 1 8.37 . . . . . . . . . . . 4183 1 700 . 1 1 74 74 SER HA H 1 4.37 . . . . . . . . . . . 4183 1 701 . 1 1 74 74 SER HB2 H 1 3.65 . . . . . . . . . . . 4183 1 702 . 1 1 74 74 SER HB3 H 1 3.43 . . . . . . . . . . . 4183 1 703 . 1 1 74 74 SER C C 13 173.22 . . . . . . . . . . . 4183 1 704 . 1 1 74 74 SER CA C 13 60.47 . . . . . . . . . . . 4183 1 705 . 1 1 74 74 SER CB C 13 62.80 . . . . . . . . . . . 4183 1 706 . 1 1 74 74 SER N N 15 116.70 . . . . . . . . . . . 4183 1 707 . 1 1 75 75 GLU H H 1 8.82 . . . . . . . . . . . 4183 1 708 . 1 1 75 75 GLU HA H 1 5.22 . . . . . . . . . . . 4183 1 709 . 1 1 75 75 GLU HB2 H 1 2.11 . . . . . . . . . . . 4183 1 710 . 1 1 75 75 GLU HB3 H 1 1.81 . . . . . . . . . . . 4183 1 711 . 1 1 75 75 GLU HG2 H 1 2.45 . . . . . . . . . . . 4183 1 712 . 1 1 75 75 GLU HG3 H 1 1.98 . . . . . . . . . . . 4183 1 713 . 1 1 75 75 GLU C C 13 176.72 . . . . . . . . . . . 4183 1 714 . 1 1 75 75 GLU CA C 13 54.95 . . . . . . . . . . . 4183 1 715 . 1 1 75 75 GLU CB C 13 29.5 . . . . . . . . . . . 4183 1 716 . 1 1 75 75 GLU CG C 13 36.44 . . . . . . . . . . . 4183 1 717 . 1 1 75 75 GLU N N 15 123.57 . . . . . . . . . . . 4183 1 718 . 1 1 76 76 VAL H H 1 8.86 . . . . . . . . . . . 4183 1 719 . 1 1 76 76 VAL HA H 1 5.10 . . . . . . . . . . . 4183 1 720 . 1 1 76 76 VAL HB H 1 2.21 . . . . . . . . . . . 4183 1 721 . 1 1 76 76 VAL HG11 H 1 0.63 . . . . . . . . . . . 4183 1 722 . 1 1 76 76 VAL HG12 H 1 0.63 . . . . . . . . . . . 4183 1 723 . 1 1 76 76 VAL HG13 H 1 0.63 . . . . . . . . . . . 4183 1 724 . 1 1 76 76 VAL HG21 H 1 0.58 . . . . . . . . . . . 4183 1 725 . 1 1 76 76 VAL HG22 H 1 0.58 . . . . . . . . . . . 4183 1 726 . 1 1 76 76 VAL HG23 H 1 0.58 . . . . . . . . . . . 4183 1 727 . 1 1 76 76 VAL C C 13 178.52 . . . . . . . . . . . 4183 1 728 . 1 1 76 76 VAL CA C 13 57.85 . . . . . . . . . . . 4183 1 729 . 1 1 76 76 VAL CB C 13 34.84 . . . . . . . . . . . 4183 1 730 . 1 1 76 76 VAL CG1 C 13 22.54 . . . . . . . . . . . 4183 1 731 . 1 1 76 76 VAL CG2 C 13 18.51 . . . . . . . . . . . 4183 1 732 . 1 1 76 76 VAL N N 15 114.91 . . . . . . . . . . . 4183 1 733 . 1 1 77 77 GLU H H 1 8.62 . . . . . . . . . . . 4183 1 734 . 1 1 77 77 GLU HA H 1 5.33 . . . . . . . . . . . 4183 1 735 . 1 1 77 77 GLU HB2 H 1 1.91 . . . . . . . . . . . 4183 1 736 . 1 1 77 77 GLU HG2 H 1 2.11 . . . . . . . . . . . 4183 1 737 . 1 1 77 77 GLU HG3 H 1 2.00 . . . . . . . . . . . 4183 1 738 . 1 1 77 77 GLU C C 13 177.12 . . . . . . . . . . . 4183 1 739 . 1 1 77 77 GLU CA C 13 54.91 . . . . . . . . . . . 4183 1 740 . 1 1 77 77 GLU CB C 13 32.10 . . . . . . . . . . . 4183 1 741 . 1 1 77 77 GLU CG C 13 37.52 . . . . . . . . . . . 4183 1 742 . 1 1 77 77 GLU N N 15 118.93 . . . . . . . . . . . 4183 1 743 . 1 1 78 78 ILE H H 1 8.69 . . . . . . . . . . . 4183 1 744 . 1 1 78 78 ILE HA H 1 5.54 . . . . . . . . . . . 4183 1 745 . 1 1 78 78 ILE HB H 1 1.51 . . . . . . . . . . . 4183 1 746 . 1 1 78 78 ILE HG12 H 1 1.51 . . . . . . . . . . . 4183 1 747 . 1 1 78 78 ILE HG13 H 1 1.18 . . . . . . . . . . . 4183 1 748 . 1 1 78 78 ILE HG21 H 1 0.84 . . . . . . . . . . . 4183 1 749 . 1 1 78 78 ILE HG22 H 1 0.84 . . . . . . . . . . . 4183 1 750 . 1 1 78 78 ILE HG23 H 1 0.84 . . . . . . . . . . . 4183 1 751 . 1 1 78 78 ILE HD11 H 1 0.72 . . . . . . . . . . . 4183 1 752 . 1 1 78 78 ILE HD12 H 1 0.72 . . . . . . . . . . . 4183 1 753 . 1 1 78 78 ILE HD13 H 1 0.72 . . . . . . . . . . . 4183 1 754 . 1 1 78 78 ILE C C 13 175.72 . . . . . . . . . . . 4183 1 755 . 1 1 78 78 ILE CA C 13 58.50 . . . . . . . . . . . 4183 1 756 . 1 1 78 78 ILE CB C 13 42.30 . . . . . . . . . . . 4183 1 757 . 1 1 78 78 ILE CG1 C 13 25.50 . . . . . . . . . . . 4183 1 758 . 1 1 78 78 ILE CG2 C 13 18.00 . . . . . . . . . . . 4183 1 759 . 1 1 78 78 ILE CD1 C 13 15.20 . . . . . . . . . . . 4183 1 760 . 1 1 78 78 ILE N N 15 114.20 . . . . . . . . . . . 4183 1 761 . 1 1 79 79 VAL H H 1 8.32 . . . . . . . . . . . 4183 1 762 . 1 1 79 79 VAL HA H 1 4.60 . . . . . . . . . . . 4183 1 763 . 1 1 79 79 VAL HB H 1 1.93 . . . . . . . . . . . 4183 1 764 . 1 1 79 79 VAL HG11 H 1 0.82 . . . . . . . . . . . 4183 1 765 . 1 1 79 79 VAL HG12 H 1 0.82 . . . . . . . . . . . 4183 1 766 . 1 1 79 79 VAL HG13 H 1 0.82 . . . . . . . . . . . 4183 1 767 . 1 1 79 79 VAL CA C 13 60.57 . . . . . . . . . . . 4183 1 768 . 1 1 79 79 VAL CB C 13 35.32 . . . . . . . . . . . 4183 1 769 . 1 1 79 79 VAL CG1 C 13 18.55 . . . . . . . . . . . 4183 1 770 . 1 1 79 79 VAL N N 15 121.02 . . . . . . . . . . . 4183 1 771 . 1 1 80 80 ASP H H 1 8.15 . . . . . . . . . . . 4183 1 772 . 1 1 80 80 ASP HA H 1 4.80 . . . . . . . . . . . 4183 1 773 . 1 1 80 80 ASP HB2 H 1 2.27 . . . . . . . . . . . 4183 1 774 . 1 1 80 80 ASP HB3 H 1 1.93 . . . . . . . . . . . 4183 1 775 . 1 1 80 80 ASP C C 13 176.38 . . . . . . . . . . . 4183 1 776 . 1 1 80 80 ASP CA C 13 52.39 . . . . . . . . . . . 4183 1 777 . 1 1 80 80 ASP CB C 13 41.50 . . . . . . . . . . . 4183 1 778 . 1 1 80 80 ASP N N 15 124.46 . . . . . . . . . . . 4183 1 779 . 1 1 81 81 ARG H H 1 8.45 . . . . . . . . . . . 4183 1 780 . 1 1 81 81 ARG HA H 1 4.50 . . . . . . . . . . . 4183 1 781 . 1 1 81 81 ARG HB2 H 1 1.76 . . . . . . . . . . . 4183 1 782 . 1 1 81 81 ARG HG2 H 1 1.56 . . . . . . . . . . . 4183 1 783 . 1 1 81 81 ARG HD2 H 1 3.16 . . . . . . . . . . . 4183 1 784 . 1 1 81 81 ARG HE H 1 7.16 . . . . . . . . . . . 4183 1 785 . 1 1 81 81 ARG C C 13 176.08 . . . . . . . . . . . 4183 1 786 . 1 1 81 81 ARG CA C 13 54.40 . . . . . . . . . . . 4183 1 787 . 1 1 81 81 ARG CB C 13 30.69 . . . . . . . . . . . 4183 1 788 . 1 1 81 81 ARG CG C 13 26.84 . . . . . . . . . . . 4183 1 789 . 1 1 81 81 ARG CD C 13 43.55 . . . . . . . . . . . 4183 1 790 . 1 1 81 81 ARG N N 15 124.18 . . . . . . . . . . . 4183 1 791 . 1 1 81 81 ARG NE N 15 83.00 . . . . . . . . . . . 4183 1 792 . 1 1 82 82 ASP H H 1 8.91 . . . . . . . . . . . 4183 1 793 . 1 1 82 82 ASP HA H 1 4.24 . . . . . . . . . . . 4183 1 794 . 1 1 82 82 ASP HB2 H 1 2.96 . . . . . . . . . . . 4183 1 795 . 1 1 82 82 ASP HB3 H 1 2.59 . . . . . . . . . . . 4183 1 796 . 1 1 82 82 ASP C C 13 175.62 . . . . . . . . . . . 4183 1 797 . 1 1 82 82 ASP CA C 13 55.07 . . . . . . . . . . . 4183 1 798 . 1 1 82 82 ASP CB C 13 39.75 . . . . . . . . . . . 4183 1 799 . 1 1 82 82 ASP N N 15 122.92 . . . . . . . . . . . 4183 1 800 . 1 1 83 83 GLY H H 1 8.88 . . . . . . . . . . . 4183 1 801 . 1 1 83 83 GLY HA2 H 1 4.03 . . . . . . . . . . . 4183 1 802 . 1 1 83 83 GLY HA3 H 1 3.63 . . . . . . . . . . . 4183 1 803 . 1 1 83 83 GLY C C 13 174.92 . . . . . . . . . . . 4183 1 804 . 1 1 83 83 GLY CA C 13 45.19 . . . . . . . . . . . 4183 1 805 . 1 1 83 83 GLY N N 15 104.73 . . . . . . . . . . . 4183 1 806 . 1 1 84 84 HIS H H 1 7.67 . . . . . . . . . . . 4183 1 807 . 1 1 84 84 HIS HA H 1 4.82 . . . . . . . . . . . 4183 1 808 . 1 1 84 84 HIS HB2 H 1 3.26 . . . . . . . . . . . 4183 1 809 . 1 1 84 84 HIS HB3 H 1 2.97 . . . . . . . . . . . 4183 1 810 . 1 1 84 84 HIS HD1 H 1 7.24 . . . . . . . . . . . 4183 1 811 . 1 1 84 84 HIS C C 13 174.59 . . . . . . . . . . . 4183 1 812 . 1 1 84 84 HIS CA C 13 53.39 . . . . . . . . . . . 4183 1 813 . 1 1 84 84 HIS CB C 13 29.33 . . . . . . . . . . . 4183 1 814 . 1 1 84 84 HIS N N 15 116.64 . . . . . . . . . . . 4183 1 815 . 1 1 85 85 ILE H H 1 9.69 . . . . . . . . . . . 4183 1 816 . 1 1 85 85 ILE HA H 1 4.75 . . . . . . . . . . . 4183 1 817 . 1 1 85 85 ILE HB H 1 1.90 . . . . . . . . . . . 4183 1 818 . 1 1 85 85 ILE HG12 H 1 1.32 . . . . . . . . . . . 4183 1 819 . 1 1 85 85 ILE HG13 H 1 1.14 . . . . . . . . . . . 4183 1 820 . 1 1 85 85 ILE HG21 H 1 0.67 . . . . . . . . . . . 4183 1 821 . 1 1 85 85 ILE HG22 H 1 0.67 . . . . . . . . . . . 4183 1 822 . 1 1 85 85 ILE HG23 H 1 0.67 . . . . . . . . . . . 4183 1 823 . 1 1 85 85 ILE HD11 H 1 0.69 . . . . . . . . . . . 4183 1 824 . 1 1 85 85 ILE HD12 H 1 0.69 . . . . . . . . . . . 4183 1 825 . 1 1 85 85 ILE HD13 H 1 0.69 . . . . . . . . . . . 4183 1 826 . 1 1 85 85 ILE C C 13 175.99 . . . . . . . . . . . 4183 1 827 . 1 1 85 85 ILE CA C 13 59.95 . . . . . . . . . . . 4183 1 828 . 1 1 85 85 ILE CB C 13 36.77 . . . . . . . . . . . 4183 1 829 . 1 1 85 85 ILE CG1 C 13 27.70 . . . . . . . . . . . 4183 1 830 . 1 1 85 85 ILE CG2 C 13 17.30 . . . . . . . . . . . 4183 1 831 . 1 1 85 85 ILE CD1 C 13 11.85 . . . . . . . . . . . 4183 1 832 . 1 1 85 85 ILE N N 15 126.93 . . . . . . . . . . . 4183 1 833 . 1 1 86 86 THR H H 1 8.80 . . . . . . . . . . . 4183 1 834 . 1 1 86 86 THR HA H 1 5.05 . . . . . . . . . . . 4183 1 835 . 1 1 86 86 THR HB H 1 3.76 . . . . . . . . . . . 4183 1 836 . 1 1 86 86 THR HG21 H 1 0.95 . . . . . . . . . . . 4183 1 837 . 1 1 86 86 THR HG22 H 1 0.95 . . . . . . . . . . . 4183 1 838 . 1 1 86 86 THR HG23 H 1 0.95 . . . . . . . . . . . 4183 1 839 . 1 1 86 86 THR C C 13 173.75 . . . . . . . . . . . 4183 1 840 . 1 1 86 86 THR CA C 13 61.59 . . . . . . . . . . . 4183 1 841 . 1 1 86 86 THR CB C 13 70.44 . . . . . . . . . . . 4183 1 842 . 1 1 86 86 THR CG2 C 13 20.77 . . . . . . . . . . . 4183 1 843 . 1 1 86 86 THR N N 15 122.24 . . . . . . . . . . . 4183 1 844 . 1 1 87 87 LEU H H 1 8.94 . . . . . . . . . . . 4183 1 845 . 1 1 87 87 LEU HA H 1 5.39 . . . . . . . . . . . 4183 1 846 . 1 1 87 87 LEU HB2 H 1 1.54 . . . . . . . . . . . 4183 1 847 . 1 1 87 87 LEU HB3 H 1 1.39 . . . . . . . . . . . 4183 1 848 . 1 1 87 87 LEU HG H 1 1.63 . . . . . . . . . . . 4183 1 849 . 1 1 87 87 LEU HD11 H 1 0.78 . . . . . . . . . . . 4183 1 850 . 1 1 87 87 LEU HD12 H 1 0.78 . . . . . . . . . . . 4183 1 851 . 1 1 87 87 LEU HD13 H 1 0.78 . . . . . . . . . . . 4183 1 852 . 1 1 87 87 LEU HD21 H 1 0.78 . . . . . . . . . . . 4183 1 853 . 1 1 87 87 LEU HD22 H 1 0.78 . . . . . . . . . . . 4183 1 854 . 1 1 87 87 LEU HD23 H 1 0.78 . . . . . . . . . . . 4183 1 855 . 1 1 87 87 LEU C C 13 176.35 . . . . . . . . . . . 4183 1 856 . 1 1 87 87 LEU CA C 13 52.67 . . . . . . . . . . . 4183 1 857 . 1 1 87 87 LEU CB C 13 44.97 . . . . . . . . . . . 4183 1 858 . 1 1 87 87 LEU CG C 13 27.30 . . . . . . . . . . . 4183 1 859 . 1 1 87 87 LEU CD1 C 13 26.27 . . . . . . . . . . . 4183 1 860 . 1 1 87 87 LEU CD2 C 13 24.40 . . . . . . . . . . . 4183 1 861 . 1 1 87 87 LEU N N 15 125.78 . . . . . . . . . . . 4183 1 862 . 1 1 88 88 SER H H 1 9.23 . . . . . . . . . . . 4183 1 863 . 1 1 88 88 SER HA H 1 5.85 . . . . . . . . . . . 4183 1 864 . 1 1 88 88 SER HB2 H 1 3.83 . . . . . . . . . . . 4183 1 865 . 1 1 88 88 SER HB3 H 1 3.55 . . . . . . . . . . . 4183 1 866 . 1 1 88 88 SER C C 13 175.22 . . . . . . . . . . . 4183 1 867 . 1 1 88 88 SER CA C 13 56.66 . . . . . . . . . . . 4183 1 868 . 1 1 88 88 SER CB C 13 64.88 . . . . . . . . . . . 4183 1 869 . 1 1 88 88 SER N N 15 116.88 . . . . . . . . . . . 4183 1 870 . 1 1 89 89 HIS H H 1 9.16 . . . . . . . . . . . 4183 1 871 . 1 1 89 89 HIS HA H 1 4.97 . . . . . . . . . . . 4183 1 872 . 1 1 89 89 HIS HB2 H 1 3.10 . . . . . . . . . . . 4183 1 873 . 1 1 89 89 HIS HB3 H 1 2.97 . . . . . . . . . . . 4183 1 874 . 1 1 89 89 HIS HD1 H 1 7.50 . . . . . . . . . . . 4183 1 875 . 1 1 89 89 HIS HE1 H 1 8.19 . . . . . . . . . . . 4183 1 876 . 1 1 89 89 HIS C C 13 174.66 . . . . . . . . . . . 4183 1 877 . 1 1 89 89 HIS CA C 13 55.50 . . . . . . . . . . . 4183 1 878 . 1 1 89 89 HIS CB C 13 32.27 . . . . . . . . . . . 4183 1 879 . 1 1 89 89 HIS N N 15 122.60 . . . . . . . . . . . 4183 1 880 . 1 1 90 90 ASN H H 1 9.28 . . . . . . . . . . . 4183 1 881 . 1 1 90 90 ASN HA H 1 4.23 . . . . . . . . . . . 4183 1 882 . 1 1 90 90 ASN HB2 H 1 3.00 . . . . . . . . . . . 4183 1 883 . 1 1 90 90 ASN HB3 H 1 2.43 . . . . . . . . . . . 4183 1 884 . 1 1 90 90 ASN HD21 H 1 7.34 . . . . . . . . . . . 4183 1 885 . 1 1 90 90 ASN HD22 H 1 6.80 . . . . . . . . . . . 4183 1 886 . 1 1 90 90 ASN C C 13 175.42 . . . . . . . . . . . 4183 1 887 . 1 1 90 90 ASN CA C 13 53.77 . . . . . . . . . . . 4183 1 888 . 1 1 90 90 ASN CB C 13 36.50 . . . . . . . . . . . 4183 1 889 . 1 1 90 90 ASN N N 15 124.12 . . . . . . . . . . . 4183 1 890 . 1 1 90 90 ASN ND2 N 15 109.11 . . . . . . . . . . . 4183 1 891 . 1 1 91 91 GLY H H 1 8.79 . . . . . . . . . . . 4183 1 892 . 1 1 91 91 GLY HA2 H 1 4.08 . . . . . . . . . . . 4183 1 893 . 1 1 91 91 GLY HA3 H 1 3.59 . . . . . . . . . . . 4183 1 894 . 1 1 91 91 GLY C C 13 174.32 . . . . . . . . . . . 4183 1 895 . 1 1 91 91 GLY CA C 13 45.15 . . . . . . . . . . . 4183 1 896 . 1 1 91 91 GLY N N 15 102.75 . . . . . . . . . . . 4183 1 897 . 1 1 92 92 LYS H H 1 7.80 . . . . . . . . . . . 4183 1 898 . 1 1 92 92 LYS HA H 1 4.56 . . . . . . . . . . . 4183 1 899 . 1 1 92 92 LYS HB2 H 1 1.88 . . . . . . . . . . . 4183 1 900 . 1 1 92 92 LYS HG2 H 1 1.39 . . . . . . . . . . . 4183 1 901 . 1 1 92 92 LYS HD2 H 1 1.67 . . . . . . . . . . . 4183 1 902 . 1 1 92 92 LYS HE2 H 1 3.00 . . . . . . . . . . . 4183 1 903 . 1 1 92 92 LYS C C 13 175.74 . . . . . . . . . . . 4183 1 904 . 1 1 92 92 LYS CA C 13 54.40 . . . . . . . . . . . 4183 1 905 . 1 1 92 92 LYS CB C 13 33.71 . . . . . . . . . . . 4183 1 906 . 1 1 92 92 LYS CG C 13 24.54 . . . . . . . . . . . 4183 1 907 . 1 1 92 92 LYS CD C 13 28.85 . . . . . . . . . . . 4183 1 908 . 1 1 92 92 LYS CE C 13 42.03 . . . . . . . . . . . 4183 1 909 . 1 1 92 92 LYS N N 15 119.79 . . . . . . . . . . . 4183 1 910 . 1 1 93 93 ASP H H 1 8.35 . . . . . . . . . . . 4183 1 911 . 1 1 93 93 ASP HA H 1 5.29 . . . . . . . . . . . 4183 1 912 . 1 1 93 93 ASP HB2 H 1 2.53 . . . . . . . . . . . 4183 1 913 . 1 1 93 93 ASP HB3 H 1 2.29 . . . . . . . . . . . 4183 1 914 . 1 1 93 93 ASP C C 13 176.62 . . . . . . . . . . . 4183 1 915 . 1 1 93 93 ASP CA C 13 52.82 . . . . . . . . . . . 4183 1 916 . 1 1 93 93 ASP CB C 13 42.43 . . . . . . . . . . . 4183 1 917 . 1 1 93 93 ASP N N 15 120.31 . . . . . . . . . . . 4183 1 918 . 1 1 94 94 VAL H H 1 9.25 . . . . . . . . . . . 4183 1 919 . 1 1 94 94 VAL HA H 1 4.20 . . . . . . . . . . . 4183 1 920 . 1 1 94 94 VAL HB H 1 1.93 . . . . . . . . . . . 4183 1 921 . 1 1 94 94 VAL HG11 H 1 0.78 . . . . . . . . . . . 4183 1 922 . 1 1 94 94 VAL HG12 H 1 0.78 . . . . . . . . . . . 4183 1 923 . 1 1 94 94 VAL HG13 H 1 0.78 . . . . . . . . . . . 4183 1 924 . 1 1 94 94 VAL C C 13 174.82 . . . . . . . . . . . 4183 1 925 . 1 1 94 94 VAL CA C 13 60.99 . . . . . . . . . . . 4183 1 926 . 1 1 94 94 VAL CB C 13 34.14 . . . . . . . . . . . 4183 1 927 . 1 1 94 94 VAL CG1 C 13 20.63 . . . . . . . . . . . 4183 1 928 . 1 1 94 94 VAL N N 15 121.32 . . . . . . . . . . . 4183 1 929 . 1 1 95 95 GLU H H 1 8.68 . . . . . . . . . . . 4183 1 930 . 1 1 95 95 GLU HA H 1 4.69 . . . . . . . . . . . 4183 1 931 . 1 1 95 95 GLU HB2 H 1 1.87 . . . . . . . . . . . 4183 1 932 . 1 1 95 95 GLU HG2 H 1 2.14 . . . . . . . . . . . 4183 1 933 . 1 1 95 95 GLU HG3 H 1 2.05 . . . . . . . . . . . 4183 1 934 . 1 1 95 95 GLU C C 13 176.75 . . . . . . . . . . . 4183 1 935 . 1 1 95 95 GLU CA C 13 55.58 . . . . . . . . . . . 4183 1 936 . 1 1 95 95 GLU CB C 13 29.29 . . . . . . . . . . . 4183 1 937 . 1 1 95 95 GLU CG C 13 36.11 . . . . . . . . . . . 4183 1 938 . 1 1 95 95 GLU N N 15 126.67 . . . . . . . . . . . 4183 1 939 . 1 1 96 96 LEU H H 1 8.82 . . . . . . . . . . . 4183 1 940 . 1 1 96 96 LEU HA H 1 4.50 . . . . . . . . . . . 4183 1 941 . 1 1 96 96 LEU HB2 H 1 1.75 . . . . . . . . . . . 4183 1 942 . 1 1 96 96 LEU HB3 H 1 1.40 . . . . . . . . . . . 4183 1 943 . 1 1 96 96 LEU HG H 1 1.55 . . . . . . . . . . . 4183 1 944 . 1 1 96 96 LEU HD11 H 1 0.96 . . . . . . . . . . . 4183 1 945 . 1 1 96 96 LEU HD12 H 1 0.96 . . . . . . . . . . . 4183 1 946 . 1 1 96 96 LEU HD13 H 1 0.96 . . . . . . . . . . . 4183 1 947 . 1 1 96 96 LEU HD21 H 1 0.74 . . . . . . . . . . . 4183 1 948 . 1 1 96 96 LEU HD22 H 1 0.74 . . . . . . . . . . . 4183 1 949 . 1 1 96 96 LEU HD23 H 1 0.74 . . . . . . . . . . . 4183 1 950 . 1 1 96 96 LEU C C 13 178.25 . . . . . . . . . . . 4183 1 951 . 1 1 96 96 LEU CA C 13 54.27 . . . . . . . . . . . 4183 1 952 . 1 1 96 96 LEU CB C 13 41.90 . . . . . . . . . . . 4183 1 953 . 1 1 96 96 LEU CG C 13 26.90 . . . . . . . . . . . 4183 1 954 . 1 1 96 96 LEU CD1 C 13 22.40 . . . . . . . . . . . 4183 1 955 . 1 1 96 96 LEU CD2 C 13 25.20 . . . . . . . . . . . 4183 1 956 . 1 1 96 96 LEU N N 15 124.63 . . . . . . . . . . . 4183 1 957 . 1 1 97 97 LEU H H 1 8.52 . . . . . . . . . . . 4183 1 958 . 1 1 97 97 LEU HA H 1 4.51 . . . . . . . . . . . 4183 1 959 . 1 1 97 97 LEU HB2 H 1 1.75 . . . . . . . . . . . 4183 1 960 . 1 1 97 97 LEU HG H 1 1.47 . . . . . . . . . . . 4183 1 961 . 1 1 97 97 LEU HD11 H 1 0.96 . . . . . . . . . . . 4183 1 962 . 1 1 97 97 LEU HD12 H 1 0.96 . . . . . . . . . . . 4183 1 963 . 1 1 97 97 LEU HD13 H 1 0.96 . . . . . . . . . . . 4183 1 964 . 1 1 97 97 LEU C C 13 178.52 . . . . . . . . . . . 4183 1 965 . 1 1 97 97 LEU CA C 13 54.48 . . . . . . . . . . . 4183 1 966 . 1 1 97 97 LEU CB C 13 41.94 . . . . . . . . . . . 4183 1 967 . 1 1 97 97 LEU CG C 13 26.90 . . . . . . . . . . . 4183 1 968 . 1 1 97 97 LEU CD1 C 13 22.70 . . . . . . . . . . . 4183 1 969 . 1 1 97 97 LEU CD2 C 13 25.20 . . . . . . . . . . . 4183 1 970 . 1 1 97 97 LEU N N 15 123.10 . . . . . . . . . . . 4183 1 971 . 1 1 98 98 ASP H H 1 8.63 . . . . . . . . . . . 4183 1 972 . 1 1 98 98 ASP HA H 1 4.31 . . . . . . . . . . . 4183 1 973 . 1 1 98 98 ASP HB2 H 1 2.75 . . . . . . . . . . . 4183 1 974 . 1 1 98 98 ASP HB3 H 1 2.66 . . . . . . . . . . . 4183 1 975 . 1 1 98 98 ASP C C 13 179.12 . . . . . . . . . . . 4183 1 976 . 1 1 98 98 ASP CA C 13 57.70 . . . . . . . . . . . 4183 1 977 . 1 1 98 98 ASP CB C 13 40.81 . . . . . . . . . . . 4183 1 978 . 1 1 98 98 ASP N N 15 118.78 . . . . . . . . . . . 4183 1 979 . 1 1 99 99 ASP H H 1 8.77 . . . . . . . . . . . 4183 1 980 . 1 1 99 99 ASP HA H 1 4.44 . . . . . . . . . . . 4183 1 981 . 1 1 99 99 ASP HB2 H 1 2.72 . . . . . . . . . . . 4183 1 982 . 1 1 99 99 ASP HB3 H 1 2.60 . . . . . . . . . . . 4183 1 983 . 1 1 99 99 ASP C C 13 179.52 . . . . . . . . . . . 4183 1 984 . 1 1 99 99 ASP CA C 13 56.67 . . . . . . . . . . . 4183 1 985 . 1 1 99 99 ASP CB C 13 39.72 . . . . . . . . . . . 4183 1 986 . 1 1 99 99 ASP N N 15 115.98 . . . . . . . . . . . 4183 1 987 . 1 1 100 100 LEU H H 1 7.80 . . . . . . . . . . . 4183 1 988 . 1 1 100 100 LEU HA H 1 4.40 . . . . . . . . . . . 4183 1 989 . 1 1 100 100 LEU HB2 H 1 1.83 . . . . . . . . . . . 4183 1 990 . 1 1 100 100 LEU HB3 H 1 1.56 . . . . . . . . . . . 4183 1 991 . 1 1 100 100 LEU HG H 1 1.72 . . . . . . . . . . . 4183 1 992 . 1 1 100 100 LEU HD11 H 1 0.92 . . . . . . . . . . . 4183 1 993 . 1 1 100 100 LEU HD12 H 1 0.92 . . . . . . . . . . . 4183 1 994 . 1 1 100 100 LEU HD13 H 1 0.92 . . . . . . . . . . . 4183 1 995 . 1 1 100 100 LEU HD21 H 1 0.82 . . . . . . . . . . . 4183 1 996 . 1 1 100 100 LEU HD22 H 1 0.82 . . . . . . . . . . . 4183 1 997 . 1 1 100 100 LEU HD23 H 1 0.82 . . . . . . . . . . . 4183 1 998 . 1 1 100 100 LEU C C 13 179.42 . . . . . . . . . . . 4183 1 999 . 1 1 100 100 LEU CA C 13 56.66 . . . . . . . . . . . 4183 1 1000 . 1 1 100 100 LEU CB C 13 41.92 . . . . . . . . . . . 4183 1 1001 . 1 1 100 100 LEU CG C 13 28.20 . . . . . . . . . . . 4183 1 1002 . 1 1 100 100 LEU CD1 C 13 25.50 . . . . . . . . . . . 4183 1 1003 . 1 1 100 100 LEU CD2 C 13 23.30 . . . . . . . . . . . 4183 1 1004 . 1 1 100 100 LEU N N 15 119.03 . . . . . . . . . . . 4183 1 1005 . 1 1 101 101 ALA H H 1 8.25 . . . . . . . . . . . 4183 1 1006 . 1 1 101 101 ALA HA H 1 3.92 . . . . . . . . . . . 4183 1 1007 . 1 1 101 101 ALA HB1 H 1 1.38 . . . . . . . . . . . 4183 1 1008 . 1 1 101 101 ALA HB2 H 1 1.38 . . . . . . . . . . . 4183 1 1009 . 1 1 101 101 ALA HB3 H 1 1.38 . . . . . . . . . . . 4183 1 1010 . 1 1 101 101 ALA C C 13 177.68 . . . . . . . . . . . 4183 1 1011 . 1 1 101 101 ALA CA C 13 53.93 . . . . . . . . . . . 4183 1 1012 . 1 1 101 101 ALA CB C 13 17.71 . . . . . . . . . . . 4183 1 1013 . 1 1 101 101 ALA N N 15 118.68 . . . . . . . . . . . 4183 1 1014 . 1 1 102 102 HIS H H 1 7.76 . . . . . . . . . . . 4183 1 1015 . 1 1 102 102 HIS HA H 1 4.37 . . . . . . . . . . . 4183 1 1016 . 1 1 102 102 HIS HB2 H 1 3.33 . . . . . . . . . . . 4183 1 1017 . 1 1 102 102 HIS C C 13 176.09 . . . . . . . . . . . 4183 1 1018 . 1 1 102 102 HIS CA C 13 57.85 . . . . . . . . . . . 4183 1 1019 . 1 1 102 102 HIS CB C 13 30.05 . . . . . . . . . . . 4183 1 1020 . 1 1 102 102 HIS N N 15 109.79 . . . . . . . . . . . 4183 1 1021 . 1 1 103 103 THR H H 1 7.75 . . . . . . . . . . . 4183 1 1022 . 1 1 103 103 THR HA H 1 4.35 . . . . . . . . . . . 4183 1 1023 . 1 1 103 103 THR HB H 1 4.34 . . . . . . . . . . . 4183 1 1024 . 1 1 103 103 THR HG21 H 1 1.28 . . . . . . . . . . . 4183 1 1025 . 1 1 103 103 THR HG22 H 1 1.28 . . . . . . . . . . . 4183 1 1026 . 1 1 103 103 THR HG23 H 1 1.28 . . . . . . . . . . . 4183 1 1027 . 1 1 103 103 THR C C 13 174.92 . . . . . . . . . . . 4183 1 1028 . 1 1 103 103 THR CA C 13 63.17 . . . . . . . . . . . 4183 1 1029 . 1 1 103 103 THR CB C 13 69.79 . . . . . . . . . . . 4183 1 1030 . 1 1 103 103 THR CG2 C 13 21.67 . . . . . . . . . . . 4183 1 1031 . 1 1 103 103 THR N N 15 108.86 . . . . . . . . . . . 4183 1 1032 . 1 1 104 104 ILE H H 1 7.61 . . . . . . . . . . . 4183 1 1033 . 1 1 104 104 ILE HA H 1 4.44 . . . . . . . . . . . 4183 1 1034 . 1 1 104 104 ILE HB H 1 1.65 . . . . . . . . . . . 4183 1 1035 . 1 1 104 104 ILE HG12 H 1 2.08 . . . . . . . . . . . 4183 1 1036 . 1 1 104 104 ILE HG13 H 1 1.02 . . . . . . . . . . . 4183 1 1037 . 1 1 104 104 ILE HG21 H 1 0.75 . . . . . . . . . . . 4183 1 1038 . 1 1 104 104 ILE HG22 H 1 0.75 . . . . . . . . . . . 4183 1 1039 . 1 1 104 104 ILE HG23 H 1 0.75 . . . . . . . . . . . 4183 1 1040 . 1 1 104 104 ILE HD11 H 1 0.75 . . . . . . . . . . . 4183 1 1041 . 1 1 104 104 ILE HD12 H 1 0.75 . . . . . . . . . . . 4183 1 1042 . 1 1 104 104 ILE HD13 H 1 0.75 . . . . . . . . . . . 4183 1 1043 . 1 1 104 104 ILE C C 13 175.65 . . . . . . . . . . . 4183 1 1044 . 1 1 104 104 ILE CA C 13 61.64 . . . . . . . . . . . 4183 1 1045 . 1 1 104 104 ILE CB C 13 38.08 . . . . . . . . . . . 4183 1 1046 . 1 1 104 104 ILE CG1 C 13 28.23 . . . . . . . . . . . 4183 1 1047 . 1 1 104 104 ILE CG2 C 13 17.30 . . . . . . . . . . . 4183 1 1048 . 1 1 104 104 ILE CD1 C 13 14.34 . . . . . . . . . . . 4183 1 1049 . 1 1 104 104 ILE N N 15 121.87 . . . . . . . . . . . 4183 1 1050 . 1 1 105 105 ARG H H 1 8.68 . . . . . . . . . . . 4183 1 1051 . 1 1 105 105 ARG HA H 1 5.20 . . . . . . . . . . . 4183 1 1052 . 1 1 105 105 ARG HB2 H 1 1.74 . . . . . . . . . . . 4183 1 1053 . 1 1 105 105 ARG HB3 H 1 1.44 . . . . . . . . . . . 4183 1 1054 . 1 1 105 105 ARG HG2 H 1 1.67 . . . . . . . . . . . 4183 1 1055 . 1 1 105 105 ARG HG3 H 1 1.05 . . . . . . . . . . . 4183 1 1056 . 1 1 105 105 ARG HD2 H 1 3.23 . . . . . . . . . . . 4183 1 1057 . 1 1 105 105 ARG HD3 H 1 2.90 . . . . . . . . . . . 4183 1 1058 . 1 1 105 105 ARG HE H 1 7.19 . . . . . . . . . . . 4183 1 1059 . 1 1 105 105 ARG C C 13 177.48 . . . . . . . . . . . 4183 1 1060 . 1 1 105 105 ARG CA C 13 53.54 . . . . . . . . . . . 4183 1 1061 . 1 1 105 105 ARG CB C 13 33.16 . . . . . . . . . . . 4183 1 1062 . 1 1 105 105 ARG CG C 13 28.60 . . . . . . . . . . . 4183 1 1063 . 1 1 105 105 ARG CD C 13 42.45 . . . . . . . . . . . 4183 1 1064 . 1 1 105 105 ARG N N 15 122.59 . . . . . . . . . . . 4183 1 1065 . 1 1 105 105 ARG NE N 15 82.40 . . . . . . . . . . . 4183 1 1066 . 1 1 106 106 ILE H H 1 9.36 . . . . . . . . . . . 4183 1 1067 . 1 1 106 106 ILE HA H 1 5.47 . . . . . . . . . . . 4183 1 1068 . 1 1 106 106 ILE HB H 1 1.92 . . . . . . . . . . . 4183 1 1069 . 1 1 106 106 ILE HG12 H 1 1.44 . . . . . . . . . . . 4183 1 1070 . 1 1 106 106 ILE HG13 H 1 0.74 . . . . . . . . . . . 4183 1 1071 . 1 1 106 106 ILE HG21 H 1 0.63 . . . . . . . . . . . 4183 1 1072 . 1 1 106 106 ILE HG22 H 1 0.63 . . . . . . . . . . . 4183 1 1073 . 1 1 106 106 ILE HG23 H 1 0.63 . . . . . . . . . . . 4183 1 1074 . 1 1 106 106 ILE HD11 H 1 0.63 . . . . . . . . . . . 4183 1 1075 . 1 1 106 106 ILE HD12 H 1 0.63 . . . . . . . . . . . 4183 1 1076 . 1 1 106 106 ILE HD13 H 1 0.63 . . . . . . . . . . . 4183 1 1077 . 1 1 106 106 ILE C C 13 175.32 . . . . . . . . . . . 4183 1 1078 . 1 1 106 106 ILE CA C 13 56.70 . . . . . . . . . . . 4183 1 1079 . 1 1 106 106 ILE CB C 13 43.39 . . . . . . . . . . . 4183 1 1080 . 1 1 106 106 ILE CG1 C 13 26.60 . . . . . . . . . . . 4183 1 1081 . 1 1 106 106 ILE CG2 C 13 22.70 . . . . . . . . . . . 4183 1 1082 . 1 1 106 106 ILE CD1 C 13 14.01 . . . . . . . . . . . 4183 1 1083 . 1 1 106 106 ILE N N 15 113.84 . . . . . . . . . . . 4183 1 1084 . 1 1 107 107 GLU H H 1 9.29 . . . . . . . . . . . 4183 1 1085 . 1 1 107 107 GLU HA H 1 4.81 . . . . . . . . . . . 4183 1 1086 . 1 1 107 107 GLU HB2 H 1 2.05 . . . . . . . . . . . 4183 1 1087 . 1 1 107 107 GLU HB3 H 1 1.94 . . . . . . . . . . . 4183 1 1088 . 1 1 107 107 GLU HG2 H 1 2.24 . . . . . . . . . . . 4183 1 1089 . 1 1 107 107 GLU C C 13 174.65 . . . . . . . . . . . 4183 1 1090 . 1 1 107 107 GLU CA C 13 53.71 . . . . . . . . . . . 4183 1 1091 . 1 1 107 107 GLU CB C 13 33.12 . . . . . . . . . . . 4183 1 1092 . 1 1 107 107 GLU CG C 13 35.89 . . . . . . . . . . . 4183 1 1093 . 1 1 107 107 GLU N N 15 117.94 . . . . . . . . . . . 4183 1 1094 . 1 1 108 108 GLU H H 1 8.55 . . . . . . . . . . . 4183 1 1095 . 1 1 108 108 GLU HA H 1 4.39 . . . . . . . . . . . 4183 1 1096 . 1 1 108 108 GLU HB2 H 1 2.26 . . . . . . . . . . . 4183 1 1097 . 1 1 108 108 GLU HB3 H 1 1.81 . . . . . . . . . . . 4183 1 1098 . 1 1 108 108 GLU HG2 H 1 2.43 . . . . . . . . . . . 4183 1 1099 . 1 1 108 108 GLU HG3 H 1 2.32 . . . . . . . . . . . 4183 1 1100 . 1 1 108 108 GLU C C 13 176.92 . . . . . . . . . . . 4183 1 1101 . 1 1 108 108 GLU CA C 13 55.25 . . . . . . . . . . . 4183 1 1102 . 1 1 108 108 GLU CB C 13 28.89 . . . . . . . . . . . 4183 1 1103 . 1 1 108 108 GLU CG C 13 35.22 . . . . . . . . . . . 4183 1 1104 . 1 1 108 108 GLU N N 15 118.66 . . . . . . . . . . . 4183 1 1105 . 1 1 109 109 LEU H H 1 8.67 . . . . . . . . . . . 4183 1 1106 . 1 1 109 109 LEU HA H 1 4.08 . . . . . . . . . . . 4183 1 1107 . 1 1 109 109 LEU HB2 H 1 1.62 . . . . . . . . . . . 4183 1 1108 . 1 1 109 109 LEU HB3 H 1 1.56 . . . . . . . . . . . 4183 1 1109 . 1 1 109 109 LEU HG H 1 1.65 . . . . . . . . . . . 4183 1 1110 . 1 1 109 109 LEU HD11 H 1 0.77 . . . . . . . . . . . 4183 1 1111 . 1 1 109 109 LEU HD12 H 1 0.77 . . . . . . . . . . . 4183 1 1112 . 1 1 109 109 LEU HD13 H 1 0.77 . . . . . . . . . . . 4183 1 1113 . 1 1 109 109 LEU CA C 13 56.65 . . . . . . . . . . . 4183 1 1114 . 1 1 109 109 LEU CB C 13 42.13 . . . . . . . . . . . 4183 1 1115 . 1 1 109 109 LEU CG C 13 27.69 . . . . . . . . . . . 4183 1 1116 . 1 1 109 109 LEU CD1 C 13 25.5 . . . . . . . . . . . 4183 1 1117 . 1 1 109 109 LEU N N 15 124.82 . . . . . . . . . . . 4183 1 stop_ save_