data_4297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4297 _Entry.Title ; Chemical Shifts (1H, 13C, 15N) and J-couplings (3JHNHA, 3JNHB, 3JHAHB) for the N-terminal Domain of E. coli DnaB Helicase, DnaB(24-136) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-01-20 _Entry.Accession_date 1999-01-20 _Entry.Last_release_date 1999-02-22 _Entry.Original_release_date 1999-02-22 _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 Johan Weigelt . . . 4297 2 Susan Brown . E. . 4297 3 Caroline Miles . S. . 4297 4 Nicholas Dixon . E. . 4297 5 Gottfried Otting . . . 4297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4297 coupling_constants 1 4297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 4297 '15N chemical shifts' 112 4297 '1H chemical shifts' 771 4297 'coupling constants' 190 4297 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 . . 1999-02-22 1999-01-20 original author . 4297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4075 . 4297 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4297 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99332676 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Weigelt, J., Brown, S. E., Miles, C. S., Dixon, N. E., and Otting, G., "NMR Structure of the N-terminal Domain of E. coli DnaB Helicase: Implications for Structure Rearrangements in the Helicase Hexamer and its Biological Function," Structure Fold Des. 7(6) 681-690 (1999). ; _Citation.Title ; NMR Structure of the N-terminal Domain of E. coli DnaB Helicase: Implications for Structure Rearrangements in the Helicase Hexamer and its Biological Function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure Fold Des.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 6 _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 681 _Citation.Page_last 690 _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 Johan Weigelt . . . 4297 1 2 Susan Brown . E. . 4297 1 3 Caroline Miles . S. . 4297 1 4 Nicholas Dixon . E. . 4297 1 5 Gottfried Otting . . . 4297 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4297 _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., Sykes B.D., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," J. Biomol. NMR, 6, 135-40 (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. . 4297 2 2 'C G' Bigam C. G. . 4297 2 3 J Yao J. . . 4297 2 4 F Abildgaard F. . . 4297 2 5 'H J' Dyson H. J. . 4297 2 6 E Oldfield E. . . 4297 2 7 'J L' Markley J. L. . 4297 2 8 'B D' Sykes B. D. . 4297 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DnaB(24-136) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DnaB(24-136) _Assembly.Entry_ID 4297 _Assembly.ID 1 _Assembly.Name 'DnaB helicase N-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 . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4297 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 DnaB(24-136) 1 $DnaB(24-136) . . . native . . . . . 4297 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JWE . 'A Chain A, Nmr Structure Of The N-Terminal Domain Of E. Coli Dnab Helicase' . . . . 4297 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DnaB(24-136) abbreviation 4297 1 'DnaB helicase N-terminal domain' system 4297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaB(24-136) _Entity.Sf_category entity _Entity.Sf_framecode DnaB(24-136) _Entity.Entry_ID 4297 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaB helicase' _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 ; MKVPPHSIEAEQSVLGGLML DNERWDDVAERVVADDFYTR PHRHIFTEMARLQESGSPID LITLAESLERQGQLDSVGGF AYLAELSKNTPSAANISAYA DIVRERAVVREMIS ; _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 114 _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 ; N-terminal Met (residue 23) not cleaved off ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4075 . "DnaB helicase" . . . . . 100.00 142 99.12 100.00 1.01e-75 . . . . 4297 1 2 no PDB 1B79 . "N-Terminal Domain Of Dna Replication Protein Dnab" . . . . . 92.98 119 99.06 100.00 4.17e-70 . . . . 4297 1 3 no PDB 1JWE . "Nmr Structure Of The N-Terminal Domain Of E. Coli Dnab Helicase" . . . . . 100.00 114 100.00 100.00 2.12e-76 . . . . 4297 1 4 no DBJ BAB38457 . "replicative DNA helicase DnaB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 471 98.25 100.00 2.12e-71 . . . . 4297 1 5 no DBJ BAE78054 . "replicative DNA helicase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 6 no DBJ BAG66812 . "replicative DNA helicase [Escherichia coli O111:H-]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 7 no DBJ BAG79869 . "replicative DNA helicase [Escherichia coli SE11]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 8 no DBJ BAH61192 . "replicative DNA helicase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 471 99.12 100.00 9.29e-72 . . . . 4297 1 9 no EMBL CAP78509 . "Replicative DNA helicase [Escherichia coli LF82]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 10 no EMBL CAQ34401 . "dnaB, subunit of replicative DNA helicase and primosome [Escherichia coli BL21(DE3)]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 11 no EMBL CAQ91563 . "replicative DNA helicase [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 471 98.25 99.12 3.25e-71 . . . . 4297 1 12 no EMBL CAR01031 . "replicative DNA helicase [Escherichia coli IAI1]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 13 no EMBL CAR05689 . "replicative DNA helicase [Escherichia coli S88]" . . . . . 100.00 471 99.12 100.00 7.83e-72 . . . . 4297 1 14 no GB AAA23689 . "DnaB replication protein (dnaB) [Escherichia coli]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 15 no GB AAA23690 . "helicase, partial [Escherichia coli]" . . . . . 100.00 157 99.12 100.00 1.91e-75 . . . . 4297 1 16 no GB AAC43146 . "ORF_o471 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 17 no GB AAC77022 . "replicative DNA helicase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 18 no GB AAG59250 . "replicative DNA helicase; part of primosome [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 471 98.25 100.00 2.12e-71 . . . . 4297 1 19 no REF NP_313061 . "replicative DNA helicase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 471 98.25 100.00 2.12e-71 . . . . 4297 1 20 no REF NP_418476 . "replicative DNA helicase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 21 no REF NP_709868 . "replicative DNA helicase [Shigella flexneri 2a str. 301]" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 22 no REF WP_000918354 . "replicative DNA helicase [Shigella dysenteriae]" . . . . . 100.00 471 99.12 100.00 7.83e-72 . . . . 4297 1 23 no REF WP_000918355 . "MULTISPECIES: replicative DNA helicase [Escherichia]" . . . . . 100.00 471 99.12 100.00 8.17e-72 . . . . 4297 1 24 no SP P0ACB0 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 25 no SP P0ACB1 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 99.12 100.00 7.58e-72 . . . . 4297 1 26 no SP Q8FB22 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 99.12 100.00 7.83e-72 . . . . 4297 1 27 no SP Q8X5V3 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 98.25 100.00 2.12e-71 . . . . 4297 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DnaB(24-136) abbreviation 4297 1 DnaB(24-136) variant 4297 1 'DnaB helicase' common 4297 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 23 MET . 4297 1 2 24 LYS . 4297 1 3 25 VAL . 4297 1 4 26 PRO . 4297 1 5 27 PRO . 4297 1 6 28 HIS . 4297 1 7 29 SER . 4297 1 8 30 ILE . 4297 1 9 31 GLU . 4297 1 10 32 ALA . 4297 1 11 33 GLU . 4297 1 12 34 GLN . 4297 1 13 35 SER . 4297 1 14 36 VAL . 4297 1 15 37 LEU . 4297 1 16 38 GLY . 4297 1 17 39 GLY . 4297 1 18 40 LEU . 4297 1 19 41 MET . 4297 1 20 42 LEU . 4297 1 21 43 ASP . 4297 1 22 44 ASN . 4297 1 23 45 GLU . 4297 1 24 46 ARG . 4297 1 25 47 TRP . 4297 1 26 48 ASP . 4297 1 27 49 ASP . 4297 1 28 50 VAL . 4297 1 29 51 ALA . 4297 1 30 52 GLU . 4297 1 31 53 ARG . 4297 1 32 54 VAL . 4297 1 33 55 VAL . 4297 1 34 56 ALA . 4297 1 35 57 ASP . 4297 1 36 58 ASP . 4297 1 37 59 PHE . 4297 1 38 60 TYR . 4297 1 39 61 THR . 4297 1 40 62 ARG . 4297 1 41 63 PRO . 4297 1 42 64 HIS . 4297 1 43 65 ARG . 4297 1 44 66 HIS . 4297 1 45 67 ILE . 4297 1 46 68 PHE . 4297 1 47 69 THR . 4297 1 48 70 GLU . 4297 1 49 71 MET . 4297 1 50 72 ALA . 4297 1 51 73 ARG . 4297 1 52 74 LEU . 4297 1 53 75 GLN . 4297 1 54 76 GLU . 4297 1 55 77 SER . 4297 1 56 78 GLY . 4297 1 57 79 SER . 4297 1 58 80 PRO . 4297 1 59 81 ILE . 4297 1 60 82 ASP . 4297 1 61 83 LEU . 4297 1 62 84 ILE . 4297 1 63 85 THR . 4297 1 64 86 LEU . 4297 1 65 87 ALA . 4297 1 66 88 GLU . 4297 1 67 89 SER . 4297 1 68 90 LEU . 4297 1 69 91 GLU . 4297 1 70 92 ARG . 4297 1 71 93 GLN . 4297 1 72 94 GLY . 4297 1 73 95 GLN . 4297 1 74 96 LEU . 4297 1 75 97 ASP . 4297 1 76 98 SER . 4297 1 77 99 VAL . 4297 1 78 100 GLY . 4297 1 79 101 GLY . 4297 1 80 102 PHE . 4297 1 81 103 ALA . 4297 1 82 104 TYR . 4297 1 83 105 LEU . 4297 1 84 106 ALA . 4297 1 85 107 GLU . 4297 1 86 108 LEU . 4297 1 87 109 SER . 4297 1 88 110 LYS . 4297 1 89 111 ASN . 4297 1 90 112 THR . 4297 1 91 113 PRO . 4297 1 92 114 SER . 4297 1 93 115 ALA . 4297 1 94 116 ALA . 4297 1 95 117 ASN . 4297 1 96 118 ILE . 4297 1 97 119 SER . 4297 1 98 120 ALA . 4297 1 99 121 TYR . 4297 1 100 122 ALA . 4297 1 101 123 ASP . 4297 1 102 124 ILE . 4297 1 103 125 VAL . 4297 1 104 126 ARG . 4297 1 105 127 GLU . 4297 1 106 128 ARG . 4297 1 107 129 ALA . 4297 1 108 130 VAL . 4297 1 109 131 VAL . 4297 1 110 132 ARG . 4297 1 111 133 GLU . 4297 1 112 134 MET . 4297 1 113 135 ILE . 4297 1 114 136 SER . 4297 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 4297 1 . LYS 2 2 4297 1 . VAL 3 3 4297 1 . PRO 4 4 4297 1 . PRO 5 5 4297 1 . HIS 6 6 4297 1 . SER 7 7 4297 1 . ILE 8 8 4297 1 . GLU 9 9 4297 1 . ALA 10 10 4297 1 . GLU 11 11 4297 1 . GLN 12 12 4297 1 . SER 13 13 4297 1 . VAL 14 14 4297 1 . LEU 15 15 4297 1 . GLY 16 16 4297 1 . GLY 17 17 4297 1 . LEU 18 18 4297 1 . MET 19 19 4297 1 . LEU 20 20 4297 1 . ASP 21 21 4297 1 . ASN 22 22 4297 1 . GLU 23 23 4297 1 . ARG 24 24 4297 1 . TRP 25 25 4297 1 . ASP 26 26 4297 1 . ASP 27 27 4297 1 . VAL 28 28 4297 1 . ALA 29 29 4297 1 . GLU 30 30 4297 1 . ARG 31 31 4297 1 . VAL 32 32 4297 1 . VAL 33 33 4297 1 . ALA 34 34 4297 1 . ASP 35 35 4297 1 . ASP 36 36 4297 1 . PHE 37 37 4297 1 . TYR 38 38 4297 1 . THR 39 39 4297 1 . ARG 40 40 4297 1 . PRO 41 41 4297 1 . HIS 42 42 4297 1 . ARG 43 43 4297 1 . HIS 44 44 4297 1 . ILE 45 45 4297 1 . PHE 46 46 4297 1 . THR 47 47 4297 1 . GLU 48 48 4297 1 . MET 49 49 4297 1 . ALA 50 50 4297 1 . ARG 51 51 4297 1 . LEU 52 52 4297 1 . GLN 53 53 4297 1 . GLU 54 54 4297 1 . SER 55 55 4297 1 . GLY 56 56 4297 1 . SER 57 57 4297 1 . PRO 58 58 4297 1 . ILE 59 59 4297 1 . ASP 60 60 4297 1 . LEU 61 61 4297 1 . ILE 62 62 4297 1 . THR 63 63 4297 1 . LEU 64 64 4297 1 . ALA 65 65 4297 1 . GLU 66 66 4297 1 . SER 67 67 4297 1 . LEU 68 68 4297 1 . GLU 69 69 4297 1 . ARG 70 70 4297 1 . GLN 71 71 4297 1 . GLY 72 72 4297 1 . GLN 73 73 4297 1 . LEU 74 74 4297 1 . ASP 75 75 4297 1 . SER 76 76 4297 1 . VAL 77 77 4297 1 . GLY 78 78 4297 1 . GLY 79 79 4297 1 . PHE 80 80 4297 1 . ALA 81 81 4297 1 . TYR 82 82 4297 1 . LEU 83 83 4297 1 . ALA 84 84 4297 1 . GLU 85 85 4297 1 . LEU 86 86 4297 1 . SER 87 87 4297 1 . LYS 88 88 4297 1 . ASN 89 89 4297 1 . THR 90 90 4297 1 . PRO 91 91 4297 1 . SER 92 92 4297 1 . ALA 93 93 4297 1 . ALA 94 94 4297 1 . ASN 95 95 4297 1 . ILE 96 96 4297 1 . SER 97 97 4297 1 . ALA 98 98 4297 1 . TYR 99 99 4297 1 . ALA 100 100 4297 1 . ASP 101 101 4297 1 . ILE 102 102 4297 1 . VAL 103 103 4297 1 . ARG 104 104 4297 1 . GLU 105 105 4297 1 . ARG 106 106 4297 1 . ALA 107 107 4297 1 . VAL 108 108 4297 1 . VAL 109 109 4297 1 . ARG 110 110 4297 1 . GLU 111 111 4297 1 . MET 112 112 4297 1 . ILE 113 113 4297 1 . SER 114 114 4297 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 4297 _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 $DnaB(24-136) . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4297 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 4297 _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 $DnaB(24-136) . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4297 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4297 _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 'DnaB helicase' '{U-98% 15N}' . . 1 $DnaB(24-136) . . 2.2 . . mM . . . . 4297 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4297 1 3 EDTA . . . . . . . 1 . . mM . . . . 4297 1 4 'sodiumn azide' . . . . . . . 0.02 . . '% w/v' . . . . 4297 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4297 _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 'DnaB helicase' '{U-98% 13C, U-98% 15N}' . . 1 $DnaB(24-136) . . 2.2 . . mM . . . . 4297 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4297 2 3 EDTA . . . . . . . 1 . . mM . . . . 4297 2 4 'sodiumn azide' . . . . . . . 0.02 . . '% w/v' . . . . 4297 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4297 _Sample.ID 3 _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 'DnaB helicase' '{U-10% 13C, U-98% 15N}' . . 1 $DnaB(24-136) . . 2.2 . . mM . . . . 4297 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4297 3 3 EDTA . . . . . . . 1 . . mM . . . . 4297 3 4 'sodiumn azide' . . . . . . . 0.02 . . '% w/v' . . . . 4297 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4297 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 na 4297 1 temperature 305 1 K 4297 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 4297 _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 4297 _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' . . 4297 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 4297 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4297 _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 $ref_1 temperature -0.083 2 $ref_1 4297 1 H 1 H2O protons . . . . ppm 4.683 internal direct 100.0 internal spherical parallel_to_Bo 2 $ref_1 temperature -0.083 2 $ref_1 4297 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $ref_1 temperature -0.083 2 $ref_1 4297 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_shifts _Assigned_chem_shift_list.Entry_ID 4297 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4297 1 . . 2 $sample_2 . 4297 1 . . 3 $sample_3 . 4297 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 4297 1 2 . 1 1 2 2 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 4297 1 3 . 1 1 2 2 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4297 1 4 . 1 1 2 2 LYS HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4297 1 5 . 1 1 2 2 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4297 1 6 . 1 1 2 2 LYS CG C 13 24.7 0.2 . 1 . . . . . . . . 4297 1 7 . 1 1 2 2 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 4297 1 8 . 1 1 2 2 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 4297 1 9 . 1 1 2 2 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 4297 1 10 . 1 1 2 2 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 4297 1 11 . 1 1 2 2 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 4297 1 12 . 1 1 2 2 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4297 1 13 . 1 1 2 2 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4297 1 14 . 1 1 2 2 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4297 1 15 . 1 1 3 3 VAL N N 15 123.4 0.1 . 1 . . . . . . . . 4297 1 16 . 1 1 3 3 VAL H H 1 8.18 0.02 . 1 . . . . . . . . 4297 1 17 . 1 1 3 3 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 4297 1 18 . 1 1 3 3 VAL HA H 1 4.41 0.02 . 1 . . . . . . . . 4297 1 19 . 1 1 3 3 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 4297 1 20 . 1 1 3 3 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 4297 1 21 . 1 1 3 3 VAL HG11 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 22 . 1 1 3 3 VAL HG12 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 23 . 1 1 3 3 VAL HG13 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 24 . 1 1 3 3 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4297 1 25 . 1 1 3 3 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4297 1 26 . 1 1 3 3 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4297 1 27 . 1 1 3 3 VAL CG1 C 13 21.0 0.2 . 1 . . . . . . . . 4297 1 28 . 1 1 3 3 VAL CG2 C 13 20.4 0.2 . 1 . . . . . . . . 4297 1 29 . 1 1 4 4 PRO CD C 13 51.1 0.2 . 1 . . . . . . . . 4297 1 30 . 1 1 4 4 PRO CA C 13 61.2 0.2 . 1 . . . . . . . . 4297 1 31 . 1 1 4 4 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 4297 1 32 . 1 1 4 4 PRO CB C 13 31.5 0.2 . 1 . . . . . . . . 4297 1 33 . 1 1 4 4 PRO HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4297 1 34 . 1 1 4 4 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4297 1 35 . 1 1 4 4 PRO CG C 13 27.8 0.2 . 1 . . . . . . . . 4297 1 36 . 1 1 4 4 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 4297 1 37 . 1 1 4 4 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 4297 1 38 . 1 1 4 4 PRO HD2 H 1 3.62 0.02 . 2 . . . . . . . . 4297 1 39 . 1 1 4 4 PRO HD3 H 1 3.94 0.02 . 2 . . . . . . . . 4297 1 40 . 1 1 5 5 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 4297 1 41 . 1 1 5 5 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 4297 1 42 . 1 1 5 5 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 4297 1 43 . 1 1 5 5 PRO CB C 13 31.5 0.2 . 1 . . . . . . . . 4297 1 44 . 1 1 5 5 PRO HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4297 1 45 . 1 1 5 5 PRO HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4297 1 46 . 1 1 5 5 PRO CG C 13 27.6 0.2 . 1 . . . . . . . . 4297 1 47 . 1 1 5 5 PRO HG2 H 1 1.93 0.02 . 2 . . . . . . . . 4297 1 48 . 1 1 5 5 PRO HG3 H 1 2.01 0.02 . 2 . . . . . . . . 4297 1 49 . 1 1 5 5 PRO HD2 H 1 3.41 0.02 . 2 . . . . . . . . 4297 1 50 . 1 1 5 5 PRO HD3 H 1 3.89 0.02 . 2 . . . . . . . . 4297 1 51 . 1 1 6 6 HIS N N 15 116.4 0.1 . 1 . . . . . . . . 4297 1 52 . 1 1 6 6 HIS H H 1 7.83 0.02 . 1 . . . . . . . . 4297 1 53 . 1 1 6 6 HIS CA C 13 55.6 0.2 . 1 . . . . . . . . 4297 1 54 . 1 1 6 6 HIS HA H 1 4.21 0.02 . 1 . . . . . . . . 4297 1 55 . 1 1 6 6 HIS CB C 13 30.7 0.2 . 1 . . . . . . . . 4297 1 56 . 1 1 6 6 HIS HB2 H 1 2.86 0.02 . 2 . . . . . . . . 4297 1 57 . 1 1 6 6 HIS HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4297 1 58 . 1 1 6 6 HIS HD2 H 1 6.42 0.02 . 1 . . . . . . . . 4297 1 59 . 1 1 6 6 HIS HE1 H 1 7.45 0.02 . 1 . . . . . . . . 4297 1 60 . 1 1 7 7 SER CA C 13 56.2 0.2 . 1 . . . . . . . . 4297 1 61 . 1 1 7 7 SER HA H 1 4.71 0.02 . 1 . . . . . . . . 4297 1 62 . 1 1 7 7 SER CB C 13 62.7 0.2 . 1 . . . . . . . . 4297 1 63 . 1 1 7 7 SER HB2 H 1 3.59 0.02 . 2 . . . . . . . . 4297 1 64 . 1 1 7 7 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 4297 1 65 . 1 1 7 7 SER C C 13 174.6 0.2 . 1 . . . . . . . . 4297 1 66 . 1 1 8 8 ILE N N 15 129.9 0.1 . 1 . . . . . . . . 4297 1 67 . 1 1 8 8 ILE H H 1 9.12 0.02 . 1 . . . . . . . . 4297 1 68 . 1 1 8 8 ILE CA C 13 64.0 0.2 . 1 . . . . . . . . 4297 1 69 . 1 1 8 8 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 4297 1 70 . 1 1 8 8 ILE CB C 13 37.0 0.2 . 1 . . . . . . . . 4297 1 71 . 1 1 8 8 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4297 1 72 . 1 1 8 8 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 73 . 1 1 8 8 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 74 . 1 1 8 8 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 75 . 1 1 8 8 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 4297 1 76 . 1 1 8 8 ILE CG1 C 13 28.8 0.2 . 1 . . . . . . . . 4297 1 77 . 1 1 8 8 ILE HG12 H 1 1.60 0.02 . 2 . . . . . . . . 4297 1 78 . 1 1 8 8 ILE HG13 H 1 1.71 0.02 . 2 . . . . . . . . 4297 1 79 . 1 1 8 8 ILE HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4297 1 80 . 1 1 8 8 ILE HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4297 1 81 . 1 1 8 8 ILE HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4297 1 82 . 1 1 8 8 ILE CD1 C 13 12.0 0.2 . 1 . . . . . . . . 4297 1 83 . 1 1 8 8 ILE C C 13 178.0 0.2 . 1 . . . . . . . . 4297 1 84 . 1 1 9 9 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 4297 1 85 . 1 1 9 9 GLU H H 1 8.90 0.02 . 1 . . . . . . . . 4297 1 86 . 1 1 9 9 GLU CA C 13 59.9 0.2 . 1 . . . . . . . . 4297 1 87 . 1 1 9 9 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4297 1 88 . 1 1 9 9 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4297 1 89 . 1 1 9 9 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4297 1 90 . 1 1 9 9 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4297 1 91 . 1 1 9 9 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 4297 1 92 . 1 1 9 9 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 4297 1 93 . 1 1 9 9 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4297 1 94 . 1 1 9 9 GLU C C 13 179.4 0.2 . 1 . . . . . . . . 4297 1 95 . 1 1 10 10 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 4297 1 96 . 1 1 10 10 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 4297 1 97 . 1 1 10 10 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 4297 1 98 . 1 1 10 10 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 4297 1 99 . 1 1 10 10 ALA HB1 H 1 1.65 0.02 . 1 . . . . . . . . 4297 1 100 . 1 1 10 10 ALA HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4297 1 101 . 1 1 10 10 ALA HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4297 1 102 . 1 1 10 10 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 4297 1 103 . 1 1 10 10 ALA C C 13 179.1 0.2 . 1 . . . . . . . . 4297 1 104 . 1 1 11 11 GLU N N 15 116.0 0.1 . 1 . . . . . . . . 4297 1 105 . 1 1 11 11 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 4297 1 106 . 1 1 11 11 GLU CA C 13 60.9 0.2 . 1 . . . . . . . . 4297 1 107 . 1 1 11 11 GLU HA H 1 3.78 0.02 . 1 . . . . . . . . 4297 1 108 . 1 1 11 11 GLU CB C 13 30.8 0.2 . 1 . . . . . . . . 4297 1 109 . 1 1 11 11 GLU HB2 H 1 2.50 0.02 . 2 . . . . . . . . 4297 1 110 . 1 1 11 11 GLU HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4297 1 111 . 1 1 11 11 GLU CG C 13 38.1 0.2 . 1 . . . . . . . . 4297 1 112 . 1 1 11 11 GLU HG2 H 1 3.29 0.02 . 2 . . . . . . . . 4297 1 113 . 1 1 11 11 GLU HG3 H 1 2.29 0.02 . 2 . . . . . . . . 4297 1 114 . 1 1 11 11 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 4297 1 115 . 1 1 12 12 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4297 1 116 . 1 1 12 12 GLN H H 1 8.65 0.02 . 1 . . . . . . . . 4297 1 117 . 1 1 12 12 GLN CA C 13 59.5 0.2 . 1 . . . . . . . . 4297 1 118 . 1 1 12 12 GLN HA H 1 3.56 0.02 . 1 . . . . . . . . 4297 1 119 . 1 1 12 12 GLN CB C 13 28.2 0.2 . 1 . . . . . . . . 4297 1 120 . 1 1 12 12 GLN HB2 H 1 2.31 0.02 . 1 . . . . . . . . 4297 1 121 . 1 1 12 12 GLN HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4297 1 122 . 1 1 12 12 GLN CG C 13 34.9 0.2 . 1 . . . . . . . . 4297 1 123 . 1 1 12 12 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 4297 1 124 . 1 1 12 12 GLN HG3 H 1 3.01 0.02 . 1 . . . . . . . . 4297 1 125 . 1 1 12 12 GLN NE2 N 15 111.2 0.1 . 1 . . . . . . . . 4297 1 126 . 1 1 12 12 GLN HE21 H 1 7.17 0.02 . 2 . . . . . . . . 4297 1 127 . 1 1 12 12 GLN HE22 H 1 7.82 0.02 . 2 . . . . . . . . 4297 1 128 . 1 1 12 12 GLN C C 13 178.6 0.2 . 1 . . . . . . . . 4297 1 129 . 1 1 13 13 SER N N 15 115.0 0.1 . 1 . . . . . . . . 4297 1 130 . 1 1 13 13 SER H H 1 7.88 0.02 . 1 . . . . . . . . 4297 1 131 . 1 1 13 13 SER CA C 13 62.5 0.2 . 1 . . . . . . . . 4297 1 132 . 1 1 13 13 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 4297 1 133 . 1 1 13 13 SER CB C 13 62.9 0.2 . 1 . . . . . . . . 4297 1 134 . 1 1 13 13 SER HB2 H 1 3.27 0.02 . 1 . . . . . . . . 4297 1 135 . 1 1 13 13 SER HB3 H 1 3.13 0.02 . 1 . . . . . . . . 4297 1 136 . 1 1 13 13 SER C C 13 176.9 0.2 . 1 . . . . . . . . 4297 1 137 . 1 1 14 14 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 4297 1 138 . 1 1 14 14 VAL H H 1 8.00 0.02 . 1 . . . . . . . . 4297 1 139 . 1 1 14 14 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 4297 1 140 . 1 1 14 14 VAL HA H 1 3.67 0.02 . 1 . . . . . . . . 4297 1 141 . 1 1 14 14 VAL CB C 13 31.8 0.2 . 1 . . . . . . . . 4297 1 142 . 1 1 14 14 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4297 1 143 . 1 1 14 14 VAL HG11 H 1 1.06 0.02 . 1 . . . . . . . . 4297 1 144 . 1 1 14 14 VAL HG12 H 1 1.06 0.02 . 1 . . . . . . . . 4297 1 145 . 1 1 14 14 VAL HG13 H 1 1.06 0.02 . 1 . . . . . . . . 4297 1 146 . 1 1 14 14 VAL HG21 H 1 1.07 0.02 . 1 . . . . . . . . 4297 1 147 . 1 1 14 14 VAL HG22 H 1 1.07 0.02 . 1 . . . . . . . . 4297 1 148 . 1 1 14 14 VAL HG23 H 1 1.07 0.02 . 1 . . . . . . . . 4297 1 149 . 1 1 14 14 VAL CG1 C 13 23.1 0.2 . 1 . . . . . . . . 4297 1 150 . 1 1 14 14 VAL CG2 C 13 24.0 0.2 . 1 . . . . . . . . 4297 1 151 . 1 1 14 14 VAL C C 13 176.3 0.2 . 1 . . . . . . . . 4297 1 152 . 1 1 15 15 LEU N N 15 116.4 0.1 . 1 . . . . . . . . 4297 1 153 . 1 1 15 15 LEU H H 1 7.69 0.02 . 1 . . . . . . . . 4297 1 154 . 1 1 15 15 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 4297 1 155 . 1 1 15 15 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 4297 1 156 . 1 1 15 15 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4297 1 157 . 1 1 15 15 LEU HB2 H 1 1.74 0.02 . 1 . . . . . . . . 4297 1 158 . 1 1 15 15 LEU HB3 H 1 1.08 0.02 . 1 . . . . . . . . 4297 1 159 . 1 1 15 15 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 4297 1 160 . 1 1 15 15 LEU HG H 1 2.00 0.02 . 1 . . . . . . . . 4297 1 161 . 1 1 15 15 LEU HD11 H 1 0.45 0.02 . 1 . . . . . . . . 4297 1 162 . 1 1 15 15 LEU HD12 H 1 0.45 0.02 . 1 . . . . . . . . 4297 1 163 . 1 1 15 15 LEU HD13 H 1 0.45 0.02 . 1 . . . . . . . . 4297 1 164 . 1 1 15 15 LEU HD21 H 1 0.80 0.02 . 1 . . . . . . . . 4297 1 165 . 1 1 15 15 LEU HD22 H 1 0.80 0.02 . 1 . . . . . . . . 4297 1 166 . 1 1 15 15 LEU HD23 H 1 0.80 0.02 . 1 . . . . . . . . 4297 1 167 . 1 1 15 15 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 4297 1 168 . 1 1 15 15 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 4297 1 169 . 1 1 15 15 LEU C C 13 179.0 0.2 . 1 . . . . . . . . 4297 1 170 . 1 1 16 16 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 4297 1 171 . 1 1 16 16 GLY H H 1 8.82 0.02 . 1 . . . . . . . . 4297 1 172 . 1 1 16 16 GLY CA C 13 47.4 0.2 . 1 . . . . . . . . 4297 1 173 . 1 1 16 16 GLY HA2 H 1 3.50 0.02 . 1 . . . . . . . . 4297 1 174 . 1 1 16 16 GLY HA3 H 1 3.88 0.02 . 1 . . . . . . . . 4297 1 175 . 1 1 16 16 GLY C C 13 176.5 0.2 . 1 . . . . . . . . 4297 1 176 . 1 1 17 17 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 4297 1 177 . 1 1 17 17 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 4297 1 178 . 1 1 17 17 GLY CA C 13 47.5 0.2 . 1 . . . . . . . . 4297 1 179 . 1 1 17 17 GLY HA2 H 1 3.76 0.02 . 1 . . . . . . . . 4297 1 180 . 1 1 17 17 GLY HA3 H 1 3.76 0.02 . 1 . . . . . . . . 4297 1 181 . 1 1 17 17 GLY C C 13 175.8 0.2 . 1 . . . . . . . . 4297 1 182 . 1 1 18 18 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4297 1 183 . 1 1 18 18 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4297 1 184 . 1 1 18 18 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 4297 1 185 . 1 1 18 18 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4297 1 186 . 1 1 18 18 LEU CB C 13 43.2 0.2 . 1 . . . . . . . . 4297 1 187 . 1 1 18 18 LEU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4297 1 188 . 1 1 18 18 LEU HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4297 1 189 . 1 1 18 18 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4297 1 190 . 1 1 18 18 LEU HG H 1 2.07 0.02 . 1 . . . . . . . . 4297 1 191 . 1 1 18 18 LEU HD11 H 1 1.20 0.02 . 1 . . . . . . . . 4297 1 192 . 1 1 18 18 LEU HD12 H 1 1.20 0.02 . 1 . . . . . . . . 4297 1 193 . 1 1 18 18 LEU HD13 H 1 1.20 0.02 . 1 . . . . . . . . 4297 1 194 . 1 1 18 18 LEU HD21 H 1 0.99 0.02 . 1 . . . . . . . . 4297 1 195 . 1 1 18 18 LEU HD22 H 1 0.99 0.02 . 1 . . . . . . . . 4297 1 196 . 1 1 18 18 LEU HD23 H 1 0.99 0.02 . 1 . . . . . . . . 4297 1 197 . 1 1 18 18 LEU CD1 C 13 27.2 0.2 . 1 . . . . . . . . 4297 1 198 . 1 1 18 18 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4297 1 199 . 1 1 18 18 LEU C C 13 178.2 0.2 . 1 . . . . . . . . 4297 1 200 . 1 1 19 19 MET N N 15 115.6 0.1 . 1 . . . . . . . . 4297 1 201 . 1 1 19 19 MET H H 1 7.29 0.02 . 1 . . . . . . . . 4297 1 202 . 1 1 19 19 MET CA C 13 58.9 0.2 . 1 . . . . . . . . 4297 1 203 . 1 1 19 19 MET HA H 1 4.21 0.02 . 1 . . . . . . . . 4297 1 204 . 1 1 19 19 MET CB C 13 33.8 0.2 . 1 . . . . . . . . 4297 1 205 . 1 1 19 19 MET HB2 H 1 2.27 0.02 . 1 . . . . . . . . 4297 1 206 . 1 1 19 19 MET HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4297 1 207 . 1 1 19 19 MET CG C 13 32.6 0.2 . 1 . . . . . . . . 4297 1 208 . 1 1 19 19 MET HG2 H 1 2.66 0.02 . 1 . . . . . . . . 4297 1 209 . 1 1 19 19 MET HG3 H 1 2.66 0.02 . 1 . . . . . . . . 4297 1 210 . 1 1 19 19 MET HE1 H 1 1.88 0.02 . 1 . . . . . . . . 4297 1 211 . 1 1 19 19 MET HE2 H 1 1.88 0.02 . 1 . . . . . . . . 4297 1 212 . 1 1 19 19 MET HE3 H 1 1.88 0.02 . 1 . . . . . . . . 4297 1 213 . 1 1 19 19 MET CE C 13 18.0 0.2 . 1 . . . . . . . . 4297 1 214 . 1 1 19 19 MET C C 13 178.5 0.2 . 1 . . . . . . . . 4297 1 215 . 1 1 20 20 LEU N N 15 118.2 0.1 . 1 . . . . . . . . 4297 1 216 . 1 1 20 20 LEU H H 1 7.29 0.02 . 1 . . . . . . . . 4297 1 217 . 1 1 20 20 LEU CA C 13 56.4 0.2 . 1 . . . . . . . . 4297 1 218 . 1 1 20 20 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 4297 1 219 . 1 1 20 20 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 4297 1 220 . 1 1 20 20 LEU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4297 1 221 . 1 1 20 20 LEU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4297 1 222 . 1 1 20 20 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4297 1 223 . 1 1 20 20 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 4297 1 224 . 1 1 20 20 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 4297 1 225 . 1 1 20 20 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 4297 1 226 . 1 1 20 20 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 4297 1 227 . 1 1 20 20 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 4297 1 228 . 1 1 20 20 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 4297 1 229 . 1 1 20 20 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 4297 1 230 . 1 1 20 20 LEU CD1 C 13 24.5 0.2 . 1 . . . . . . . . 4297 1 231 . 1 1 20 20 LEU CD2 C 13 24.1 0.2 . 1 . . . . . . . . 4297 1 232 . 1 1 20 20 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 4297 1 233 . 1 1 21 21 ASP N N 15 119.5 0.1 . 1 . . . . . . . . 4297 1 234 . 1 1 21 21 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 4297 1 235 . 1 1 21 21 ASP CA C 13 52.5 0.2 . 1 . . . . . . . . 4297 1 236 . 1 1 21 21 ASP HA H 1 4.92 0.02 . 1 . . . . . . . . 4297 1 237 . 1 1 21 21 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 4297 1 238 . 1 1 21 21 ASP HB2 H 1 2.36 0.02 . 1 . . . . . . . . 4297 1 239 . 1 1 21 21 ASP HB3 H 1 2.87 0.02 . 1 . . . . . . . . 4297 1 240 . 1 1 21 21 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 4297 1 241 . 1 1 22 22 ASN N N 15 120.8 0.1 . 1 . . . . . . . . 4297 1 242 . 1 1 22 22 ASN H H 1 9.10 0.02 . 1 . . . . . . . . 4297 1 243 . 1 1 22 22 ASN CA C 13 55.1 0.2 . 1 . . . . . . . . 4297 1 244 . 1 1 22 22 ASN HA H 1 4.55 0.02 . 1 . . . . . . . . 4297 1 245 . 1 1 22 22 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 4297 1 246 . 1 1 22 22 ASN HB2 H 1 2.91 0.02 . 1 . . . . . . . . 4297 1 247 . 1 1 22 22 ASN HB3 H 1 2.91 0.02 . 1 . . . . . . . . 4297 1 248 . 1 1 22 22 ASN ND2 N 15 115.5 0.1 . 1 . . . . . . . . 4297 1 249 . 1 1 22 22 ASN HD21 H 1 6.08 0.02 . 2 . . . . . . . . 4297 1 250 . 1 1 22 22 ASN HD22 H 1 8.11 0.02 . 2 . . . . . . . . 4297 1 251 . 1 1 22 22 ASN C C 13 177.3 0.2 . 1 . . . . . . . . 4297 1 252 . 1 1 23 23 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 4297 1 253 . 1 1 23 23 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 4297 1 254 . 1 1 23 23 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 4297 1 255 . 1 1 23 23 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4297 1 256 . 1 1 23 23 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 4297 1 257 . 1 1 23 23 GLU HB2 H 1 2.24 0.02 . 1 . . . . . . . . 4297 1 258 . 1 1 23 23 GLU HB3 H 1 2.24 0.02 . 1 . . . . . . . . 4297 1 259 . 1 1 23 23 GLU CG C 13 37.1 0.2 . 1 . . . . . . . . 4297 1 260 . 1 1 23 23 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 4297 1 261 . 1 1 23 23 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 4297 1 262 . 1 1 23 23 GLU C C 13 177.5 0.2 . 1 . . . . . . . . 4297 1 263 . 1 1 24 24 ARG N N 15 116.9 0.1 . 1 . . . . . . . . 4297 1 264 . 1 1 24 24 ARG H H 1 7.59 0.02 . 1 . . . . . . . . 4297 1 265 . 1 1 24 24 ARG CA C 13 55.2 0.2 . 1 . . . . . . . . 4297 1 266 . 1 1 24 24 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . 4297 1 267 . 1 1 24 24 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4297 1 268 . 1 1 24 24 ARG HB3 H 1 2.22 0.02 . 1 . . . . . . . . 4297 1 269 . 1 1 24 24 ARG CG C 13 25.9 0.2 . 1 . . . . . . . . 4297 1 270 . 1 1 24 24 ARG HG2 H 1 1.75 0.02 . 2 . . . . . . . . 4297 1 271 . 1 1 24 24 ARG HG3 H 1 1.79 0.02 . 2 . . . . . . . . 4297 1 272 . 1 1 24 24 ARG CD C 13 42.7 0.2 . 1 . . . . . . . . 4297 1 273 . 1 1 24 24 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4297 1 274 . 1 1 24 24 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4297 1 275 . 1 1 24 24 ARG NE N 15 83.6 0.1 . 1 . . . . . . . . 4297 1 276 . 1 1 24 24 ARG HE H 1 7.61 0.02 . 1 . . . . . . . . 4297 1 277 . 1 1 24 24 ARG C C 13 175.3 0.2 . 1 . . . . . . . . 4297 1 278 . 1 1 25 25 TRP N N 15 119.5 0.1 . 1 . . . . . . . . 4297 1 279 . 1 1 25 25 TRP H H 1 7.71 0.02 . 1 . . . . . . . . 4297 1 280 . 1 1 25 25 TRP CA C 13 61.5 0.2 . 1 . . . . . . . . 4297 1 281 . 1 1 25 25 TRP HA H 1 3.99 0.02 . 1 . . . . . . . . 4297 1 282 . 1 1 25 25 TRP CB C 13 29.2 0.2 . 1 . . . . . . . . 4297 1 283 . 1 1 25 25 TRP HB2 H 1 3.35 0.02 . 1 . . . . . . . . 4297 1 284 . 1 1 25 25 TRP HB3 H 1 3.12 0.02 . 1 . . . . . . . . 4297 1 285 . 1 1 25 25 TRP CD1 C 13 126.9 0.2 . 1 . . . . . . . . 4297 1 286 . 1 1 25 25 TRP CE3 C 13 119.4 0.2 . 1 . . . . . . . . 4297 1 287 . 1 1 25 25 TRP NE1 N 15 128.8 0.1 . 1 . . . . . . . . 4297 1 288 . 1 1 25 25 TRP HD1 H 1 7.04 0.02 . 1 . . . . . . . . 4297 1 289 . 1 1 25 25 TRP HE3 H 1 7.23 0.02 . 1 . . . . . . . . 4297 1 290 . 1 1 25 25 TRP CZ3 C 13 122.3 0.2 . 1 . . . . . . . . 4297 1 291 . 1 1 25 25 TRP CZ2 C 13 113.2 0.2 . 1 . . . . . . . . 4297 1 292 . 1 1 25 25 TRP HE1 H 1 9.78 0.02 . 1 . . . . . . . . 4297 1 293 . 1 1 25 25 TRP HZ3 H 1 6.41 0.02 . 1 . . . . . . . . 4297 1 294 . 1 1 25 25 TRP CH2 C 13 124.4 0.2 . 1 . . . . . . . . 4297 1 295 . 1 1 25 25 TRP HZ2 H 1 7.15 0.02 . 1 . . . . . . . . 4297 1 296 . 1 1 25 25 TRP HH2 H 1 5.89 0.02 . 1 . . . . . . . . 4297 1 297 . 1 1 25 25 TRP C C 13 176.2 0.2 . 1 . . . . . . . . 4297 1 298 . 1 1 26 26 ASP N N 15 115.7 0.1 . 1 . . . . . . . . 4297 1 299 . 1 1 26 26 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4297 1 300 . 1 1 26 26 ASP CA C 13 58.0 0.2 . 1 . . . . . . . . 4297 1 301 . 1 1 26 26 ASP HA H 1 4.05 0.02 . 1 . . . . . . . . 4297 1 302 . 1 1 26 26 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 4297 1 303 . 1 1 26 26 ASP HB2 H 1 2.67 0.02 . 1 . . . . . . . . 4297 1 304 . 1 1 26 26 ASP HB3 H 1 2.62 0.02 . 1 . . . . . . . . 4297 1 305 . 1 1 26 26 ASP C C 13 178.3 0.2 . 1 . . . . . . . . 4297 1 306 . 1 1 27 27 ASP N N 15 117.9 0.1 . 1 . . . . . . . . 4297 1 307 . 1 1 27 27 ASP H H 1 7.77 0.02 . 1 . . . . . . . . 4297 1 308 . 1 1 27 27 ASP CA C 13 56.8 0.2 . 1 . . . . . . . . 4297 1 309 . 1 1 27 27 ASP HA H 1 4.25 0.02 . 1 . . . . . . . . 4297 1 310 . 1 1 27 27 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4297 1 311 . 1 1 27 27 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4297 1 312 . 1 1 27 27 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4297 1 313 . 1 1 27 27 ASP C C 13 178.2 0.2 . 1 . . . . . . . . 4297 1 314 . 1 1 28 28 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 4297 1 315 . 1 1 28 28 VAL H H 1 7.59 0.02 . 1 . . . . . . . . 4297 1 316 . 1 1 28 28 VAL CA C 13 66.6 0.2 . 1 . . . . . . . . 4297 1 317 . 1 1 28 28 VAL HA H 1 3.36 0.02 . 1 . . . . . . . . 4297 1 318 . 1 1 28 28 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4297 1 319 . 1 1 28 28 VAL HB H 1 1.87 0.02 . 1 . . . . . . . . 4297 1 320 . 1 1 28 28 VAL HG11 H 1 0.78 0.02 . 1 . . . . . . . . 4297 1 321 . 1 1 28 28 VAL HG12 H 1 0.78 0.02 . 1 . . . . . . . . 4297 1 322 . 1 1 28 28 VAL HG13 H 1 0.78 0.02 . 1 . . . . . . . . 4297 1 323 . 1 1 28 28 VAL HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4297 1 324 . 1 1 28 28 VAL HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4297 1 325 . 1 1 28 28 VAL HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4297 1 326 . 1 1 28 28 VAL CG1 C 13 22.6 0.2 . 1 . . . . . . . . 4297 1 327 . 1 1 28 28 VAL CG2 C 13 24.0 0.2 . 1 . . . . . . . . 4297 1 328 . 1 1 28 28 VAL C C 13 177.6 0.2 . 1 . . . . . . . . 4297 1 329 . 1 1 29 29 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 4297 1 330 . 1 1 29 29 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 4297 1 331 . 1 1 29 29 ALA CA C 13 53.9 0.2 . 1 . . . . . . . . 4297 1 332 . 1 1 29 29 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 4297 1 333 . 1 1 29 29 ALA HB1 H 1 0.81 0.02 . 1 . . . . . . . . 4297 1 334 . 1 1 29 29 ALA HB2 H 1 0.81 0.02 . 1 . . . . . . . . 4297 1 335 . 1 1 29 29 ALA HB3 H 1 0.81 0.02 . 1 . . . . . . . . 4297 1 336 . 1 1 29 29 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 4297 1 337 . 1 1 29 29 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 4297 1 338 . 1 1 30 30 GLU N N 15 114.0 0.1 . 1 . . . . . . . . 4297 1 339 . 1 1 30 30 GLU H H 1 7.18 0.02 . 1 . . . . . . . . 4297 1 340 . 1 1 30 30 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 4297 1 341 . 1 1 30 30 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4297 1 342 . 1 1 30 30 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4297 1 343 . 1 1 30 30 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4297 1 344 . 1 1 30 30 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 4297 1 345 . 1 1 30 30 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 4297 1 346 . 1 1 30 30 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 4297 1 347 . 1 1 30 30 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 4297 1 348 . 1 1 31 31 ARG N N 15 118.4 0.1 . 1 . . . . . . . . 4297 1 349 . 1 1 31 31 ARG H H 1 7.82 0.02 . 1 . . . . . . . . 4297 1 350 . 1 1 31 31 ARG CA C 13 57.1 0.2 . 1 . . . . . . . . 4297 1 351 . 1 1 31 31 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4297 1 352 . 1 1 31 31 ARG HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4297 1 353 . 1 1 31 31 ARG HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4297 1 354 . 1 1 31 31 ARG C C 13 175.2 0.2 . 1 . . . . . . . . 4297 1 355 . 1 1 32 32 VAL N N 15 112.6 0.1 . 1 . . . . . . . . 4297 1 356 . 1 1 32 32 VAL H H 1 7.63 0.02 . 1 . . . . . . . . 4297 1 357 . 1 1 32 32 VAL CA C 13 58.9 0.2 . 1 . . . . . . . . 4297 1 358 . 1 1 32 32 VAL HA H 1 4.79 0.02 . 1 . . . . . . . . 4297 1 359 . 1 1 32 32 VAL CB C 13 36.0 0.2 . 1 . . . . . . . . 4297 1 360 . 1 1 32 32 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 4297 1 361 . 1 1 32 32 VAL HG11 H 1 0.57 0.02 . 1 . . . . . . . . 4297 1 362 . 1 1 32 32 VAL HG12 H 1 0.57 0.02 . 1 . . . . . . . . 4297 1 363 . 1 1 32 32 VAL HG13 H 1 0.57 0.02 . 1 . . . . . . . . 4297 1 364 . 1 1 32 32 VAL HG21 H 1 0.56 0.02 . 1 . . . . . . . . 4297 1 365 . 1 1 32 32 VAL HG22 H 1 0.56 0.02 . 1 . . . . . . . . 4297 1 366 . 1 1 32 32 VAL HG23 H 1 0.56 0.02 . 1 . . . . . . . . 4297 1 367 . 1 1 32 32 VAL CG1 C 13 23.2 0.2 . 1 . . . . . . . . 4297 1 368 . 1 1 32 32 VAL CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4297 1 369 . 1 1 32 32 VAL C C 13 173.5 0.2 . 1 . . . . . . . . 4297 1 370 . 1 1 33 33 VAL N N 15 113.3 0.1 . 1 . . . . . . . . 4297 1 371 . 1 1 33 33 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 4297 1 372 . 1 1 33 33 VAL CA C 13 58.8 0.2 . 1 . . . . . . . . 4297 1 373 . 1 1 33 33 VAL HA H 1 4.66 0.02 . 1 . . . . . . . . 4297 1 374 . 1 1 33 33 VAL CB C 13 35.0 0.2 . 1 . . . . . . . . 4297 1 375 . 1 1 33 33 VAL HB H 1 2.43 0.02 . 1 . . . . . . . . 4297 1 376 . 1 1 33 33 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 4297 1 377 . 1 1 33 33 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 4297 1 378 . 1 1 33 33 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 4297 1 379 . 1 1 33 33 VAL HG21 H 1 0.75 0.02 . 1 . . . . . . . . 4297 1 380 . 1 1 33 33 VAL HG22 H 1 0.75 0.02 . 1 . . . . . . . . 4297 1 381 . 1 1 33 33 VAL HG23 H 1 0.75 0.02 . 1 . . . . . . . . 4297 1 382 . 1 1 33 33 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 4297 1 383 . 1 1 33 33 VAL CG2 C 13 19.0 0.2 . 1 . . . . . . . . 4297 1 384 . 1 1 33 33 VAL C C 13 177.5 0.2 . 1 . . . . . . . . 4297 1 385 . 1 1 34 34 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 4297 1 386 . 1 1 34 34 ALA H H 1 8.99 0.02 . 1 . . . . . . . . 4297 1 387 . 1 1 34 34 ALA CA C 13 56.4 0.2 . 1 . . . . . . . . 4297 1 388 . 1 1 34 34 ALA HA H 1 3.93 0.02 . 1 . . . . . . . . 4297 1 389 . 1 1 34 34 ALA HB1 H 1 1.62 0.02 . 1 . . . . . . . . 4297 1 390 . 1 1 34 34 ALA HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4297 1 391 . 1 1 34 34 ALA HB3 H 1 1.62 0.02 . 1 . . . . . . . . 4297 1 392 . 1 1 34 34 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4297 1 393 . 1 1 34 34 ALA C C 13 179.2 0.2 . 1 . . . . . . . . 4297 1 394 . 1 1 35 35 ASP N N 15 110.9 0.1 . 1 . . . . . . . . 4297 1 395 . 1 1 35 35 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 4297 1 396 . 1 1 35 35 ASP CA C 13 56.0 0.2 . 1 . . . . . . . . 4297 1 397 . 1 1 35 35 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 4297 1 398 . 1 1 35 35 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 4297 1 399 . 1 1 35 35 ASP HB2 H 1 2.36 0.02 . 1 . . . . . . . . 4297 1 400 . 1 1 35 35 ASP HB3 H 1 2.71 0.02 . 1 . . . . . . . . 4297 1 401 . 1 1 35 35 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 4297 1 402 . 1 1 36 36 ASP N N 15 117.6 0.1 . 1 . . . . . . . . 4297 1 403 . 1 1 36 36 ASP H H 1 7.94 0.02 . 1 . . . . . . . . 4297 1 404 . 1 1 36 36 ASP CA C 13 56.4 0.2 . 1 . . . . . . . . 4297 1 405 . 1 1 36 36 ASP HA H 1 4.27 0.02 . 1 . . . . . . . . 4297 1 406 . 1 1 36 36 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 4297 1 407 . 1 1 36 36 ASP HB2 H 1 2.55 0.02 . 1 . . . . . . . . 4297 1 408 . 1 1 36 36 ASP HB3 H 1 2.18 0.02 . 1 . . . . . . . . 4297 1 409 . 1 1 36 36 ASP C C 13 178.4 0.2 . 1 . . . . . . . . 4297 1 410 . 1 1 37 37 PHE N N 15 120.9 0.1 . 1 . . . . . . . . 4297 1 411 . 1 1 37 37 PHE H H 1 7.84 0.02 . 1 . . . . . . . . 4297 1 412 . 1 1 37 37 PHE CA C 13 59.5 0.2 . 1 . . . . . . . . 4297 1 413 . 1 1 37 37 PHE HA H 1 4.01 0.02 . 1 . . . . . . . . 4297 1 414 . 1 1 37 37 PHE CB C 13 38.1 0.2 . 1 . . . . . . . . 4297 1 415 . 1 1 37 37 PHE HB2 H 1 3.19 0.02 . 1 . . . . . . . . 4297 1 416 . 1 1 37 37 PHE HB3 H 1 2.90 0.02 . 1 . . . . . . . . 4297 1 417 . 1 1 37 37 PHE HD1 H 1 7.42 0.02 . 1 . . . . . . . . 4297 1 418 . 1 1 37 37 PHE HD2 H 1 7.42 0.02 . 1 . . . . . . . . 4297 1 419 . 1 1 37 37 PHE HE1 H 1 6.41 0.02 . 1 . . . . . . . . 4297 1 420 . 1 1 37 37 PHE HE2 H 1 6.41 0.02 . 1 . . . . . . . . 4297 1 421 . 1 1 37 37 PHE CD1 C 13 131.7 0.2 . 1 . . . . . . . . 4297 1 422 . 1 1 37 37 PHE CE1 C 13 130.3 0.2 . 1 . . . . . . . . 4297 1 423 . 1 1 37 37 PHE CZ C 13 128.3 0.2 . 1 . . . . . . . . 4297 1 424 . 1 1 37 37 PHE HZ H 1 6.59 0.02 . 1 . . . . . . . . 4297 1 425 . 1 1 38 38 TYR N N 15 128.9 0.1 . 1 . . . . . . . . 4297 1 426 . 1 1 38 38 TYR H H 1 11.92 0.02 . 1 . . . . . . . . 4297 1 427 . 1 1 38 38 TYR CA C 13 60.4 0.2 . 1 . . . . . . . . 4297 1 428 . 1 1 38 38 TYR HA H 1 4.21 0.02 . 1 . . . . . . . . 4297 1 429 . 1 1 38 38 TYR CB C 13 40.8 0.2 . 1 . . . . . . . . 4297 1 430 . 1 1 38 38 TYR HB2 H 1 3.06 0.02 . 1 . . . . . . . . 4297 1 431 . 1 1 38 38 TYR HB3 H 1 3.00 0.02 . 1 . . . . . . . . 4297 1 432 . 1 1 38 38 TYR HD1 H 1 6.57 0.02 . 1 . . . . . . . . 4297 1 433 . 1 1 38 38 TYR HD2 H 1 6.57 0.02 . 1 . . . . . . . . 4297 1 434 . 1 1 38 38 TYR HE1 H 1 6.44 0.02 . 1 . . . . . . . . 4297 1 435 . 1 1 38 38 TYR HE2 H 1 6.44 0.02 . 1 . . . . . . . . 4297 1 436 . 1 1 38 38 TYR CD1 C 13 132.3 0.2 . 1 . . . . . . . . 4297 1 437 . 1 1 38 38 TYR CE1 C 13 117.5 0.2 . 1 . . . . . . . . 4297 1 438 . 1 1 38 38 TYR C C 13 177.1 0.2 . 1 . . . . . . . . 4297 1 439 . 1 1 39 39 THR N N 15 108.6 0.1 . 1 . . . . . . . . 4297 1 440 . 1 1 39 39 THR H H 1 7.54 0.02 . 1 . . . . . . . . 4297 1 441 . 1 1 39 39 THR CA C 13 59.7 0.2 . 1 . . . . . . . . 4297 1 442 . 1 1 39 39 THR HA H 1 4.24 0.02 . 1 . . . . . . . . 4297 1 443 . 1 1 39 39 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 4297 1 444 . 1 1 39 39 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 4297 1 445 . 1 1 39 39 THR HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4297 1 446 . 1 1 39 39 THR HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4297 1 447 . 1 1 39 39 THR HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4297 1 448 . 1 1 39 39 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 4297 1 449 . 1 1 41 41 PRO CD C 13 49.6 0.2 . 1 . . . . . . . . 4297 1 450 . 1 1 41 41 PRO CA C 13 66.4 0.2 . 1 . . . . . . . . 4297 1 451 . 1 1 41 41 PRO HA H 1 4.24 0.02 . 1 . . . . . . . . 4297 1 452 . 1 1 41 41 PRO CB C 13 31.5 0.2 . 1 . . . . . . . . 4297 1 453 . 1 1 41 41 PRO HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4297 1 454 . 1 1 41 41 PRO HB3 H 1 2.31 0.02 . 1 . . . . . . . . 4297 1 455 . 1 1 41 41 PRO CG C 13 28.2 0.2 . 1 . . . . . . . . 4297 1 456 . 1 1 41 41 PRO HG2 H 1 1.81 0.02 . 1 . . . . . . . . 4297 1 457 . 1 1 41 41 PRO HG3 H 1 1.81 0.02 . 1 . . . . . . . . 4297 1 458 . 1 1 41 41 PRO HD2 H 1 3.59 0.02 . 1 . . . . . . . . 4297 1 459 . 1 1 41 41 PRO HD3 H 1 3.59 0.02 . 1 . . . . . . . . 4297 1 460 . 1 1 41 41 PRO C C 13 178.1 0.2 . 1 . . . . . . . . 4297 1 461 . 1 1 42 42 HIS N N 15 114.1 0.1 . 1 . . . . . . . . 4297 1 462 . 1 1 42 42 HIS H H 1 7.19 0.02 . 1 . . . . . . . . 4297 1 463 . 1 1 42 42 HIS CA C 13 56.9 0.2 . 1 . . . . . . . . 4297 1 464 . 1 1 42 42 HIS HA H 1 4.33 0.02 . 1 . . . . . . . . 4297 1 465 . 1 1 42 42 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 4297 1 466 . 1 1 42 42 HIS HB2 H 1 3.57 0.02 . 1 . . . . . . . . 4297 1 467 . 1 1 42 42 HIS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 4297 1 468 . 1 1 42 42 HIS CD2 C 13 123.2 0.2 . 1 . . . . . . . . 4297 1 469 . 1 1 42 42 HIS HD1 H 1 14.94 0.02 . 1 . . . . . . . . 4297 1 470 . 1 1 42 42 HIS CE1 C 13 136.5 0.2 . 1 . . . . . . . . 4297 1 471 . 1 1 42 42 HIS HD2 H 1 6.51 0.02 . 1 . . . . . . . . 4297 1 472 . 1 1 42 42 HIS HE1 H 1 7.68 0.02 . 1 . . . . . . . . 4297 1 473 . 1 1 42 42 HIS C C 13 176.7 0.2 . 1 . . . . . . . . 4297 1 474 . 1 1 43 43 ARG N N 15 119.2 0.1 . 1 . . . . . . . . 4297 1 475 . 1 1 43 43 ARG H H 1 8.02 0.02 . 1 . . . . . . . . 4297 1 476 . 1 1 43 43 ARG CA C 13 60.8 0.2 . 1 . . . . . . . . 4297 1 477 . 1 1 43 43 ARG HA H 1 3.89 0.02 . 1 . . . . . . . . 4297 1 478 . 1 1 43 43 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 4297 1 479 . 1 1 43 43 ARG HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4297 1 480 . 1 1 43 43 ARG HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4297 1 481 . 1 1 43 43 ARG CG C 13 27.7 0.2 . 1 . . . . . . . . 4297 1 482 . 1 1 43 43 ARG HG2 H 1 2.07 0.02 . 2 . . . . . . . . 4297 1 483 . 1 1 43 43 ARG HG3 H 1 1.80 0.02 . 2 . . . . . . . . 4297 1 484 . 1 1 43 43 ARG CD C 13 44.2 0.2 . 1 . . . . . . . . 4297 1 485 . 1 1 43 43 ARG HD2 H 1 3.02 0.02 . 2 . . . . . . . . 4297 1 486 . 1 1 43 43 ARG HD3 H 1 3.26 0.02 . 2 . . . . . . . . 4297 1 487 . 1 1 43 43 ARG C C 13 179.4 0.2 . 1 . . . . . . . . 4297 1 488 . 1 1 44 44 HIS N N 15 119.7 0.1 . 1 . . . . . . . . 4297 1 489 . 1 1 44 44 HIS H H 1 8.20 0.02 . 1 . . . . . . . . 4297 1 490 . 1 1 44 44 HIS CA C 13 59.0 0.2 . 1 . . . . . . . . 4297 1 491 . 1 1 44 44 HIS HA H 1 4.27 0.02 . 1 . . . . . . . . 4297 1 492 . 1 1 44 44 HIS CB C 13 31.2 0.2 . 1 . . . . . . . . 4297 1 493 . 1 1 44 44 HIS HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4297 1 494 . 1 1 44 44 HIS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 4297 1 495 . 1 1 44 44 HIS CD2 C 13 118.9 0.2 . 1 . . . . . . . . 4297 1 496 . 1 1 44 44 HIS HD2 H 1 6.70 0.02 . 1 . . . . . . . . 4297 1 497 . 1 1 44 44 HIS C C 13 178.9 0.2 . 1 . . . . . . . . 4297 1 498 . 1 1 45 45 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 4297 1 499 . 1 1 45 45 ILE H H 1 8.65 0.02 . 1 . . . . . . . . 4297 1 500 . 1 1 45 45 ILE CA C 13 66.8 0.2 . 1 . . . . . . . . 4297 1 501 . 1 1 45 45 ILE HA H 1 3.46 0.02 . 1 . . . . . . . . 4297 1 502 . 1 1 45 45 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 4297 1 503 . 1 1 45 45 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 4297 1 504 . 1 1 45 45 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4297 1 505 . 1 1 45 45 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4297 1 506 . 1 1 45 45 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4297 1 507 . 1 1 45 45 ILE CG2 C 13 18.6 0.2 . 1 . . . . . . . . 4297 1 508 . 1 1 45 45 ILE CG1 C 13 30.4 0.2 . 1 . . . . . . . . 4297 1 509 . 1 1 45 45 ILE HG12 H 1 0.70 0.02 . 1 . . . . . . . . 4297 1 510 . 1 1 45 45 ILE HG13 H 1 2.25 0.02 . 1 . . . . . . . . 4297 1 511 . 1 1 45 45 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4297 1 512 . 1 1 45 45 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4297 1 513 . 1 1 45 45 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4297 1 514 . 1 1 45 45 ILE CD1 C 13 14.7 0.2 . 1 . . . . . . . . 4297 1 515 . 1 1 45 45 ILE C C 13 176.7 0.2 . 1 . . . . . . . . 4297 1 516 . 1 1 46 46 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 4297 1 517 . 1 1 46 46 PHE H H 1 8.42 0.02 . 1 . . . . . . . . 4297 1 518 . 1 1 46 46 PHE CA C 13 62.7 0.2 . 1 . . . . . . . . 4297 1 519 . 1 1 46 46 PHE HA H 1 4.01 0.02 . 1 . . . . . . . . 4297 1 520 . 1 1 46 46 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 4297 1 521 . 1 1 46 46 PHE HB2 H 1 2.44 0.02 . 1 . . . . . . . . 4297 1 522 . 1 1 46 46 PHE HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4297 1 523 . 1 1 46 46 PHE HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4297 1 524 . 1 1 46 46 PHE HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4297 1 525 . 1 1 46 46 PHE HE1 H 1 7.06 0.02 . 1 . . . . . . . . 4297 1 526 . 1 1 46 46 PHE HE2 H 1 7.06 0.02 . 1 . . . . . . . . 4297 1 527 . 1 1 46 46 PHE CD1 C 13 131.4 0.2 . 1 . . . . . . . . 4297 1 528 . 1 1 46 46 PHE CE1 C 13 130.8 0.2 . 1 . . . . . . . . 4297 1 529 . 1 1 46 46 PHE CZ C 13 130.7 0.2 . 1 . . . . . . . . 4297 1 530 . 1 1 46 46 PHE HZ H 1 6.73 0.02 . 1 . . . . . . . . 4297 1 531 . 1 1 46 46 PHE C C 13 177.0 0.2 . 1 . . . . . . . . 4297 1 532 . 1 1 47 47 THR N N 15 113.6 0.1 . 1 . . . . . . . . 4297 1 533 . 1 1 47 47 THR H H 1 8.21 0.02 . 1 . . . . . . . . 4297 1 534 . 1 1 47 47 THR CA C 13 67.1 0.2 . 1 . . . . . . . . 4297 1 535 . 1 1 47 47 THR HA H 1 3.93 0.02 . 1 . . . . . . . . 4297 1 536 . 1 1 47 47 THR CB C 13 68.8 0.2 . 1 . . . . . . . . 4297 1 537 . 1 1 47 47 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 4297 1 538 . 1 1 47 47 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 4297 1 539 . 1 1 47 47 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 4297 1 540 . 1 1 47 47 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 4297 1 541 . 1 1 47 47 THR CG2 C 13 21.0 0.2 . 1 . . . . . . . . 4297 1 542 . 1 1 47 47 THR C C 13 176.3 0.2 . 1 . . . . . . . . 4297 1 543 . 1 1 48 48 GLU N N 15 123.5 0.1 . 1 . . . . . . . . 4297 1 544 . 1 1 48 48 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 4297 1 545 . 1 1 48 48 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 4297 1 546 . 1 1 48 48 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 4297 1 547 . 1 1 48 48 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 4297 1 548 . 1 1 48 48 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4297 1 549 . 1 1 48 48 GLU HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4297 1 550 . 1 1 48 48 GLU CG C 13 34.7 0.2 . 1 . . . . . . . . 4297 1 551 . 1 1 48 48 GLU HG2 H 1 2.07 0.02 . 1 . . . . . . . . 4297 1 552 . 1 1 48 48 GLU HG3 H 1 2.07 0.02 . 1 . . . . . . . . 4297 1 553 . 1 1 48 48 GLU C C 13 178.2 0.2 . 1 . . . . . . . . 4297 1 554 . 1 1 49 49 MET N N 15 119.6 0.1 . 1 . . . . . . . . 4297 1 555 . 1 1 49 49 MET H H 1 8.48 0.02 . 1 . . . . . . . . 4297 1 556 . 1 1 49 49 MET CA C 13 60.3 0.2 . 1 . . . . . . . . 4297 1 557 . 1 1 49 49 MET HA H 1 3.58 0.02 . 1 . . . . . . . . 4297 1 558 . 1 1 49 49 MET HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4297 1 559 . 1 1 49 49 MET HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4297 1 560 . 1 1 49 49 MET CG C 13 35.2 0.2 . 1 . . . . . . . . 4297 1 561 . 1 1 49 49 MET HG2 H 1 3.05 0.02 . 2 . . . . . . . . 4297 1 562 . 1 1 49 49 MET HG3 H 1 2.01 0.02 . 2 . . . . . . . . 4297 1 563 . 1 1 49 49 MET HE1 H 1 2.13 0.02 . 1 . . . . . . . . 4297 1 564 . 1 1 49 49 MET HE2 H 1 2.13 0.02 . 1 . . . . . . . . 4297 1 565 . 1 1 49 49 MET HE3 H 1 2.13 0.02 . 1 . . . . . . . . 4297 1 566 . 1 1 49 49 MET CE C 13 19.2 0.2 . 1 . . . . . . . . 4297 1 567 . 1 1 49 49 MET C C 13 176.7 0.2 . 1 . . . . . . . . 4297 1 568 . 1 1 50 50 ALA N N 15 119.9 0.1 . 1 . . . . . . . . 4297 1 569 . 1 1 50 50 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 4297 1 570 . 1 1 50 50 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4297 1 571 . 1 1 50 50 ALA HA H 1 3.34 0.02 . 1 . . . . . . . . 4297 1 572 . 1 1 50 50 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4297 1 573 . 1 1 50 50 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4297 1 574 . 1 1 50 50 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4297 1 575 . 1 1 50 50 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 4297 1 576 . 1 1 50 50 ALA C C 13 180.2 0.2 . 1 . . . . . . . . 4297 1 577 . 1 1 51 51 ARG N N 15 120.4 0.1 . 1 . . . . . . . . 4297 1 578 . 1 1 51 51 ARG H H 1 7.71 0.02 . 1 . . . . . . . . 4297 1 579 . 1 1 51 51 ARG CA C 13 59.2 0.2 . 1 . . . . . . . . 4297 1 580 . 1 1 51 51 ARG HA H 1 3.88 0.02 . 1 . . . . . . . . 4297 1 581 . 1 1 51 51 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 4297 1 582 . 1 1 51 51 ARG HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4297 1 583 . 1 1 51 51 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4297 1 584 . 1 1 51 51 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4297 1 585 . 1 1 51 51 ARG HG2 H 1 1.46 0.02 . 2 . . . . . . . . 4297 1 586 . 1 1 51 51 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . 4297 1 587 . 1 1 51 51 ARG CD C 13 42.8 0.2 . 1 . . . . . . . . 4297 1 588 . 1 1 51 51 ARG HD2 H 1 3.02 0.02 . 2 . . . . . . . . 4297 1 589 . 1 1 51 51 ARG HD3 H 1 3.23 0.02 . 2 . . . . . . . . 4297 1 590 . 1 1 51 51 ARG C C 13 180.2 0.2 . 1 . . . . . . . . 4297 1 591 . 1 1 52 52 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 4297 1 592 . 1 1 52 52 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 4297 1 593 . 1 1 52 52 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 4297 1 594 . 1 1 52 52 LEU HA H 1 3.75 0.02 . 1 . . . . . . . . 4297 1 595 . 1 1 52 52 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 4297 1 596 . 1 1 52 52 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4297 1 597 . 1 1 52 52 LEU HB3 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 598 . 1 1 52 52 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4297 1 599 . 1 1 52 52 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 4297 1 600 . 1 1 52 52 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4297 1 601 . 1 1 52 52 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4297 1 602 . 1 1 52 52 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4297 1 603 . 1 1 52 52 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 4297 1 604 . 1 1 52 52 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 4297 1 605 . 1 1 52 52 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 4297 1 606 . 1 1 52 52 LEU CD1 C 13 26.0 0.2 . 1 . . . . . . . . 4297 1 607 . 1 1 52 52 LEU CD2 C 13 21.9 0.2 . 1 . . . . . . . . 4297 1 608 . 1 1 52 52 LEU C C 13 179.7 0.2 . 1 . . . . . . . . 4297 1 609 . 1 1 53 53 GLN N N 15 120.5 0.1 . 1 . . . . . . . . 4297 1 610 . 1 1 53 53 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 4297 1 611 . 1 1 53 53 GLN CA C 13 59.1 0.2 . 1 . . . . . . . . 4297 1 612 . 1 1 53 53 GLN HA H 1 3.73 0.02 . 1 . . . . . . . . 4297 1 613 . 1 1 53 53 GLN CB C 13 26.4 0.2 . 1 . . . . . . . . 4297 1 614 . 1 1 53 53 GLN HB2 H 1 1.33 0.02 . 2 . . . . . . . . 4297 1 615 . 1 1 53 53 GLN HB3 H 1 1.24 0.02 . 2 . . . . . . . . 4297 1 616 . 1 1 53 53 GLN CG C 13 32.3 0.2 . 1 . . . . . . . . 4297 1 617 . 1 1 53 53 GLN HG2 H 1 1.29 0.02 . 1 . . . . . . . . 4297 1 618 . 1 1 53 53 GLN HG3 H 1 1.01 0.02 . 1 . . . . . . . . 4297 1 619 . 1 1 53 53 GLN NE2 N 15 110.1 0.1 . 1 . . . . . . . . 4297 1 620 . 1 1 53 53 GLN HE21 H 1 6.51 0.02 . 2 . . . . . . . . 4297 1 621 . 1 1 53 53 GLN HE22 H 1 6.62 0.02 . 2 . . . . . . . . 4297 1 622 . 1 1 53 53 GLN C C 13 180.4 0.2 . 1 . . . . . . . . 4297 1 623 . 1 1 54 54 GLU N N 15 120.8 0.1 . 1 . . . . . . . . 4297 1 624 . 1 1 54 54 GLU H H 1 7.89 0.02 . 1 . . . . . . . . 4297 1 625 . 1 1 54 54 GLU CA C 13 58.9 0.2 . 1 . . . . . . . . 4297 1 626 . 1 1 54 54 GLU HA H 1 3.91 0.02 . 1 . . . . . . . . 4297 1 627 . 1 1 54 54 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 4297 1 628 . 1 1 54 54 GLU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 4297 1 629 . 1 1 54 54 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4297 1 630 . 1 1 54 54 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4297 1 631 . 1 1 54 54 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4297 1 632 . 1 1 54 54 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 4297 1 633 . 1 1 54 54 GLU C C 13 177.6 0.2 . 1 . . . . . . . . 4297 1 634 . 1 1 55 55 SER N N 15 112.0 0.1 . 1 . . . . . . . . 4297 1 635 . 1 1 55 55 SER H H 1 7.42 0.02 . 1 . . . . . . . . 4297 1 636 . 1 1 55 55 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4297 1 637 . 1 1 55 55 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 4297 1 638 . 1 1 55 55 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 4297 1 639 . 1 1 55 55 SER HB2 H 1 4.04 0.02 . 2 . . . . . . . . 4297 1 640 . 1 1 55 55 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 4297 1 641 . 1 1 55 55 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4297 1 642 . 1 1 56 56 GLY N N 15 110.1 0.1 . 1 . . . . . . . . 4297 1 643 . 1 1 56 56 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 4297 1 644 . 1 1 56 56 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 4297 1 645 . 1 1 56 56 GLY HA2 H 1 3.77 0.02 . 1 . . . . . . . . 4297 1 646 . 1 1 56 56 GLY HA3 H 1 4.10 0.02 . 1 . . . . . . . . 4297 1 647 . 1 1 56 56 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 4297 1 648 . 1 1 57 57 SER N N 15 117.2 0.1 . 1 . . . . . . . . 4297 1 649 . 1 1 57 57 SER H H 1 7.84 0.02 . 1 . . . . . . . . 4297 1 650 . 1 1 57 57 SER CA C 13 56.0 0.2 . 1 . . . . . . . . 4297 1 651 . 1 1 57 57 SER HA H 1 4.82 0.02 . 1 . . . . . . . . 4297 1 652 . 1 1 57 57 SER CB C 13 64.2 0.2 . 1 . . . . . . . . 4297 1 653 . 1 1 57 57 SER HB2 H 1 3.50 0.02 . 1 . . . . . . . . 4297 1 654 . 1 1 57 57 SER HB3 H 1 3.67 0.02 . 1 . . . . . . . . 4297 1 655 . 1 1 58 58 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4297 1 656 . 1 1 58 58 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 4297 1 657 . 1 1 58 58 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4297 1 658 . 1 1 58 58 PRO CB C 13 32.8 0.2 . 1 . . . . . . . . 4297 1 659 . 1 1 58 58 PRO HB2 H 1 2.20 0.02 . 1 . . . . . . . . 4297 1 660 . 1 1 58 58 PRO HB3 H 1 2.41 0.02 . 1 . . . . . . . . 4297 1 661 . 1 1 58 58 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4297 1 662 . 1 1 58 58 PRO HG2 H 1 1.99 0.02 . 2 . . . . . . . . 4297 1 663 . 1 1 58 58 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 4297 1 664 . 1 1 58 58 PRO HD2 H 1 3.80 0.02 . 2 . . . . . . . . 4297 1 665 . 1 1 58 58 PRO HD3 H 1 3.70 0.02 . 2 . . . . . . . . 4297 1 666 . 1 1 58 58 PRO C C 13 174.5 0.2 . 1 . . . . . . . . 4297 1 667 . 1 1 59 59 ILE N N 15 109.0 0.1 . 1 . . . . . . . . 4297 1 668 . 1 1 59 59 ILE H H 1 7.06 0.02 . 1 . . . . . . . . 4297 1 669 . 1 1 59 59 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 4297 1 670 . 1 1 59 59 ILE HA H 1 4.33 0.02 . 1 . . . . . . . . 4297 1 671 . 1 1 59 59 ILE CB C 13 38.1 0.2 . 1 . . . . . . . . 4297 1 672 . 1 1 59 59 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4297 1 673 . 1 1 59 59 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 4297 1 674 . 1 1 59 59 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 4297 1 675 . 1 1 59 59 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 4297 1 676 . 1 1 59 59 ILE CG2 C 13 19.3 0.2 . 1 . . . . . . . . 4297 1 677 . 1 1 59 59 ILE CG1 C 13 25.0 0.2 . 1 . . . . . . . . 4297 1 678 . 1 1 59 59 ILE HG12 H 1 1.47 0.02 . 2 . . . . . . . . 4297 1 679 . 1 1 59 59 ILE HG13 H 1 0.65 0.02 . 2 . . . . . . . . 4297 1 680 . 1 1 59 59 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 681 . 1 1 59 59 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 682 . 1 1 59 59 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 683 . 1 1 59 59 ILE CD1 C 13 15.5 0.2 . 1 . . . . . . . . 4297 1 684 . 1 1 59 59 ILE C C 13 173.3 0.2 . 1 . . . . . . . . 4297 1 685 . 1 1 60 60 ASP N N 15 114.1 0.1 . 1 . . . . . . . . 4297 1 686 . 1 1 60 60 ASP H H 1 7.41 0.02 . 1 . . . . . . . . 4297 1 687 . 1 1 60 60 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4297 1 688 . 1 1 60 60 ASP HA H 1 4.81 0.02 . 1 . . . . . . . . 4297 1 689 . 1 1 60 60 ASP CB C 13 42.3 0.2 . 1 . . . . . . . . 4297 1 690 . 1 1 60 60 ASP HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4297 1 691 . 1 1 60 60 ASP HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4297 1 692 . 1 1 60 60 ASP C C 13 173.5 0.2 . 1 . . . . . . . . 4297 1 693 . 1 1 61 61 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 4297 1 694 . 1 1 61 61 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 4297 1 695 . 1 1 61 61 LEU CA C 13 59.2 0.2 . 1 . . . . . . . . 4297 1 696 . 1 1 61 61 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 4297 1 697 . 1 1 61 61 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 4297 1 698 . 1 1 61 61 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4297 1 699 . 1 1 61 61 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4297 1 700 . 1 1 61 61 LEU CG C 13 27.6 0.2 . 1 . . . . . . . . 4297 1 701 . 1 1 61 61 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 4297 1 702 . 1 1 61 61 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4297 1 703 . 1 1 61 61 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4297 1 704 . 1 1 61 61 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4297 1 705 . 1 1 61 61 LEU HD21 H 1 0.52 0.02 . 1 . . . . . . . . 4297 1 706 . 1 1 61 61 LEU HD22 H 1 0.52 0.02 . 1 . . . . . . . . 4297 1 707 . 1 1 61 61 LEU HD23 H 1 0.52 0.02 . 1 . . . . . . . . 4297 1 708 . 1 1 61 61 LEU CD1 C 13 25.7 0.2 . 1 . . . . . . . . 4297 1 709 . 1 1 61 61 LEU CD2 C 13 24.1 0.2 . 1 . . . . . . . . 4297 1 710 . 1 1 61 61 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4297 1 711 . 1 1 62 62 ILE N N 15 115.4 0.1 . 1 . . . . . . . . 4297 1 712 . 1 1 62 62 ILE H H 1 7.59 0.02 . 1 . . . . . . . . 4297 1 713 . 1 1 62 62 ILE CA C 13 64.0 0.2 . 1 . . . . . . . . 4297 1 714 . 1 1 62 62 ILE HA H 1 3.79 0.02 . 1 . . . . . . . . 4297 1 715 . 1 1 62 62 ILE CB C 13 36.5 0.2 . 1 . . . . . . . . 4297 1 716 . 1 1 62 62 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4297 1 717 . 1 1 62 62 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4297 1 718 . 1 1 62 62 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4297 1 719 . 1 1 62 62 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4297 1 720 . 1 1 62 62 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 4297 1 721 . 1 1 62 62 ILE CG1 C 13 28.4 0.2 . 1 . . . . . . . . 4297 1 722 . 1 1 62 62 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 4297 1 723 . 1 1 62 62 ILE HG13 H 1 1.41 0.02 . 2 . . . . . . . . 4297 1 724 . 1 1 62 62 ILE HD11 H 1 0.92 0.02 . 1 . . . . . . . . 4297 1 725 . 1 1 62 62 ILE HD12 H 1 0.92 0.02 . 1 . . . . . . . . 4297 1 726 . 1 1 62 62 ILE HD13 H 1 0.92 0.02 . 1 . . . . . . . . 4297 1 727 . 1 1 62 62 ILE CD1 C 13 11.4 0.2 . 1 . . . . . . . . 4297 1 728 . 1 1 62 62 ILE C C 13 178.2 0.2 . 1 . . . . . . . . 4297 1 729 . 1 1 63 63 THR N N 15 119.2 0.1 . 1 . . . . . . . . 4297 1 730 . 1 1 63 63 THR H H 1 7.95 0.02 . 1 . . . . . . . . 4297 1 731 . 1 1 63 63 THR CA C 13 66.9 0.2 . 1 . . . . . . . . 4297 1 732 . 1 1 63 63 THR HA H 1 3.77 0.02 . 1 . . . . . . . . 4297 1 733 . 1 1 63 63 THR CB C 13 67.7 0.2 . 1 . . . . . . . . 4297 1 734 . 1 1 63 63 THR HB H 1 3.71 0.02 . 1 . . . . . . . . 4297 1 735 . 1 1 63 63 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4297 1 736 . 1 1 63 63 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4297 1 737 . 1 1 63 63 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4297 1 738 . 1 1 63 63 THR CG2 C 13 22.6 0.2 . 1 . . . . . . . . 4297 1 739 . 1 1 63 63 THR C C 13 177.8 0.2 . 1 . . . . . . . . 4297 1 740 . 1 1 64 64 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4297 1 741 . 1 1 64 64 LEU H H 1 8.58 0.02 . 1 . . . . . . . . 4297 1 742 . 1 1 64 64 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 4297 1 743 . 1 1 64 64 LEU HA H 1 3.86 0.02 . 1 . . . . . . . . 4297 1 744 . 1 1 64 64 LEU CB C 13 42.9 0.2 . 1 . . . . . . . . 4297 1 745 . 1 1 64 64 LEU HB2 H 1 1.28 0.02 . 1 . . . . . . . . 4297 1 746 . 1 1 64 64 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4297 1 747 . 1 1 64 64 LEU HG H 1 1.40 0.02 . 1 . . . . . . . . 4297 1 748 . 1 1 64 64 LEU HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4297 1 749 . 1 1 64 64 LEU HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4297 1 750 . 1 1 64 64 LEU HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4297 1 751 . 1 1 64 64 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 4297 1 752 . 1 1 64 64 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 4297 1 753 . 1 1 64 64 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 4297 1 754 . 1 1 64 64 LEU CD1 C 13 24.4 0.2 . 1 . . . . . . . . 4297 1 755 . 1 1 64 64 LEU CD2 C 13 27.3 0.2 . 1 . . . . . . . . 4297 1 756 . 1 1 64 64 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4297 1 757 . 1 1 65 65 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 4297 1 758 . 1 1 65 65 ALA H H 1 8.59 0.02 . 1 . . . . . . . . 4297 1 759 . 1 1 65 65 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 4297 1 760 . 1 1 65 65 ALA HA H 1 3.79 0.02 . 1 . . . . . . . . 4297 1 761 . 1 1 65 65 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4297 1 762 . 1 1 65 65 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4297 1 763 . 1 1 65 65 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4297 1 764 . 1 1 65 65 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4297 1 765 . 1 1 65 65 ALA C C 13 179.6 0.2 . 1 . . . . . . . . 4297 1 766 . 1 1 66 66 GLU N N 15 116.9 0.1 . 1 . . . . . . . . 4297 1 767 . 1 1 66 66 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 4297 1 768 . 1 1 66 66 GLU CA C 13 60.0 0.2 . 1 . . . . . . . . 4297 1 769 . 1 1 66 66 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4297 1 770 . 1 1 66 66 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 4297 1 771 . 1 1 66 66 GLU HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4297 1 772 . 1 1 66 66 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4297 1 773 . 1 1 66 66 GLU CG C 13 36.9 0.2 . 1 . . . . . . . . 4297 1 774 . 1 1 66 66 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 4297 1 775 . 1 1 66 66 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4297 1 776 . 1 1 66 66 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 4297 1 777 . 1 1 67 67 SER N N 15 114.3 0.1 . 1 . . . . . . . . 4297 1 778 . 1 1 67 67 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4297 1 779 . 1 1 67 67 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 4297 1 780 . 1 1 67 67 SER HA H 1 4.12 0.02 . 1 . . . . . . . . 4297 1 781 . 1 1 67 67 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 4297 1 782 . 1 1 67 67 SER HB2 H 1 3.94 0.02 . 1 . . . . . . . . 4297 1 783 . 1 1 67 67 SER HB3 H 1 4.08 0.02 . 1 . . . . . . . . 4297 1 784 . 1 1 67 67 SER C C 13 178.9 0.2 . 1 . . . . . . . . 4297 1 785 . 1 1 68 68 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4297 1 786 . 1 1 68 68 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 4297 1 787 . 1 1 68 68 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 4297 1 788 . 1 1 68 68 LEU HA H 1 3.89 0.02 . 1 . . . . . . . . 4297 1 789 . 1 1 68 68 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4297 1 790 . 1 1 68 68 LEU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4297 1 791 . 1 1 68 68 LEU HB3 H 1 0.82 0.02 . 1 . . . . . . . . 4297 1 792 . 1 1 68 68 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 4297 1 793 . 1 1 68 68 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 4297 1 794 . 1 1 68 68 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 4297 1 795 . 1 1 68 68 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 4297 1 796 . 1 1 68 68 LEU HD21 H 1 0.71 0.02 . 1 . . . . . . . . 4297 1 797 . 1 1 68 68 LEU HD22 H 1 0.71 0.02 . 1 . . . . . . . . 4297 1 798 . 1 1 68 68 LEU HD23 H 1 0.71 0.02 . 1 . . . . . . . . 4297 1 799 . 1 1 68 68 LEU CD1 C 13 27.4 0.2 . 1 . . . . . . . . 4297 1 800 . 1 1 68 68 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . 4297 1 801 . 1 1 68 68 LEU C C 13 179.5 0.2 . 1 . . . . . . . . 4297 1 802 . 1 1 69 69 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 4297 1 803 . 1 1 69 69 GLU H H 1 8.82 0.02 . 1 . . . . . . . . 4297 1 804 . 1 1 69 69 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 4297 1 805 . 1 1 69 69 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 4297 1 806 . 1 1 69 69 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4297 1 807 . 1 1 69 69 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4297 1 808 . 1 1 69 69 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4297 1 809 . 1 1 69 69 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 4297 1 810 . 1 1 69 69 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 4297 1 811 . 1 1 69 69 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 4297 1 812 . 1 1 69 69 GLU C C 13 180.6 0.2 . 1 . . . . . . . . 4297 1 813 . 1 1 70 70 ARG N N 15 121.8 0.1 . 1 . . . . . . . . 4297 1 814 . 1 1 70 70 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 4297 1 815 . 1 1 70 70 ARG CA C 13 59.5 0.2 . 1 . . . . . . . . 4297 1 816 . 1 1 70 70 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . 4297 1 817 . 1 1 70 70 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 4297 1 818 . 1 1 70 70 ARG HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4297 1 819 . 1 1 70 70 ARG HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4297 1 820 . 1 1 70 70 ARG CG C 13 27.7 0.2 . 1 . . . . . . . . 4297 1 821 . 1 1 70 70 ARG HG2 H 1 1.76 0.02 . 2 . . . . . . . . 4297 1 822 . 1 1 70 70 ARG HG3 H 1 1.83 0.02 . 2 . . . . . . . . 4297 1 823 . 1 1 70 70 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 4297 1 824 . 1 1 70 70 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4297 1 825 . 1 1 70 70 ARG HD3 H 1 3.24 0.02 . 1 . . . . . . . . 4297 1 826 . 1 1 70 70 ARG C C 13 178.2 0.2 . 1 . . . . . . . . 4297 1 827 . 1 1 71 71 GLN N N 15 114.3 0.1 . 1 . . . . . . . . 4297 1 828 . 1 1 71 71 GLN H H 1 7.35 0.02 . 1 . . . . . . . . 4297 1 829 . 1 1 71 71 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 4297 1 830 . 1 1 71 71 GLN HA H 1 4.37 0.02 . 1 . . . . . . . . 4297 1 831 . 1 1 71 71 GLN CB C 13 31.2 0.2 . 1 . . . . . . . . 4297 1 832 . 1 1 71 71 GLN HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4297 1 833 . 1 1 71 71 GLN HB3 H 1 2.42 0.02 . 1 . . . . . . . . 4297 1 834 . 1 1 71 71 GLN CG C 13 34.9 0.2 . 1 . . . . . . . . 4297 1 835 . 1 1 71 71 GLN HG2 H 1 2.25 0.02 . 2 . . . . . . . . 4297 1 836 . 1 1 71 71 GLN HG3 H 1 2.54 0.02 . 2 . . . . . . . . 4297 1 837 . 1 1 71 71 GLN NE2 N 15 112.1 0.1 . 1 . . . . . . . . 4297 1 838 . 1 1 71 71 GLN HE21 H 1 6.99 0.02 . 2 . . . . . . . . 4297 1 839 . 1 1 71 71 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 4297 1 840 . 1 1 71 71 GLN C C 13 176.2 0.2 . 1 . . . . . . . . 4297 1 841 . 1 1 72 72 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 4297 1 842 . 1 1 72 72 GLY H H 1 8.16 0.02 . 1 . . . . . . . . 4297 1 843 . 1 1 72 72 GLY CA C 13 46.5 0.2 . 1 . . . . . . . . 4297 1 844 . 1 1 72 72 GLY HA2 H 1 4.08 0.02 . 1 . . . . . . . . 4297 1 845 . 1 1 72 72 GLY HA3 H 1 4.08 0.02 . 1 . . . . . . . . 4297 1 846 . 1 1 72 72 GLY C C 13 176.1 0.2 . 1 . . . . . . . . 4297 1 847 . 1 1 73 73 GLN N N 15 115.4 0.1 . 1 . . . . . . . . 4297 1 848 . 1 1 73 73 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 4297 1 849 . 1 1 73 73 GLN CA C 13 55.0 0.2 . 1 . . . . . . . . 4297 1 850 . 1 1 73 73 GLN HA H 1 4.62 0.02 . 1 . . . . . . . . 4297 1 851 . 1 1 73 73 GLN CB C 13 31.5 0.2 . 1 . . . . . . . . 4297 1 852 . 1 1 73 73 GLN HB2 H 1 1.54 0.02 . 1 . . . . . . . . 4297 1 853 . 1 1 73 73 GLN HB3 H 1 2.28 0.02 . 1 . . . . . . . . 4297 1 854 . 1 1 73 73 GLN CG C 13 32.7 0.2 . 1 . . . . . . . . 4297 1 855 . 1 1 73 73 GLN HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4297 1 856 . 1 1 73 73 GLN HG3 H 1 2.20 0.02 . 2 . . . . . . . . 4297 1 857 . 1 1 73 73 GLN NE2 N 15 110.1 0.1 . 1 . . . . . . . . 4297 1 858 . 1 1 73 73 GLN HE21 H 1 6.52 0.02 . 2 . . . . . . . . 4297 1 859 . 1 1 73 73 GLN HE22 H 1 7.13 0.02 . 2 . . . . . . . . 4297 1 860 . 1 1 73 73 GLN C C 13 176.4 0.2 . 1 . . . . . . . . 4297 1 861 . 1 1 74 74 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 4297 1 862 . 1 1 74 74 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 4297 1 863 . 1 1 74 74 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 4297 1 864 . 1 1 74 74 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 4297 1 865 . 1 1 74 74 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 4297 1 866 . 1 1 74 74 LEU HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4297 1 867 . 1 1 74 74 LEU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4297 1 868 . 1 1 74 74 LEU CG C 13 27.6 0.2 . 1 . . . . . . . . 4297 1 869 . 1 1 74 74 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4297 1 870 . 1 1 74 74 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4297 1 871 . 1 1 74 74 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4297 1 872 . 1 1 74 74 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4297 1 873 . 1 1 74 74 LEU HD21 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 874 . 1 1 74 74 LEU HD22 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 875 . 1 1 74 74 LEU HD23 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 876 . 1 1 74 74 LEU CD1 C 13 23.3 0.2 . 1 . . . . . . . . 4297 1 877 . 1 1 74 74 LEU CD2 C 13 25.9 0.2 . 1 . . . . . . . . 4297 1 878 . 1 1 74 74 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 4297 1 879 . 1 1 75 75 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 4297 1 880 . 1 1 75 75 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 4297 1 881 . 1 1 75 75 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4297 1 882 . 1 1 75 75 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . 4297 1 883 . 1 1 75 75 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . 4297 1 884 . 1 1 75 75 ASP HB2 H 1 2.61 0.02 . 1 . . . . . . . . 4297 1 885 . 1 1 75 75 ASP HB3 H 1 2.61 0.02 . 1 . . . . . . . . 4297 1 886 . 1 1 75 75 ASP C C 13 179.8 0.2 . 1 . . . . . . . . 4297 1 887 . 1 1 76 76 SER N N 15 115.3 0.1 . 1 . . . . . . . . 4297 1 888 . 1 1 76 76 SER H H 1 7.80 0.02 . 1 . . . . . . . . 4297 1 889 . 1 1 76 76 SER CA C 13 61.0 0.2 . 1 . . . . . . . . 4297 1 890 . 1 1 76 76 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 4297 1 891 . 1 1 76 76 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4297 1 892 . 1 1 76 76 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 4297 1 893 . 1 1 76 76 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 4297 1 894 . 1 1 76 76 SER C C 13 175.7 0.2 . 1 . . . . . . . . 4297 1 895 . 1 1 77 77 VAL N N 15 111.2 0.1 . 1 . . . . . . . . 4297 1 896 . 1 1 77 77 VAL H H 1 7.11 0.02 . 1 . . . . . . . . 4297 1 897 . 1 1 77 77 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 4297 1 898 . 1 1 77 77 VAL HA H 1 4.46 0.02 . 1 . . . . . . . . 4297 1 899 . 1 1 77 77 VAL CB C 13 31.3 0.2 . 1 . . . . . . . . 4297 1 900 . 1 1 77 77 VAL HB H 1 2.60 0.02 . 1 . . . . . . . . 4297 1 901 . 1 1 77 77 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 902 . 1 1 77 77 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 903 . 1 1 77 77 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 904 . 1 1 77 77 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 905 . 1 1 77 77 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 906 . 1 1 77 77 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4297 1 907 . 1 1 77 77 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 4297 1 908 . 1 1 77 77 VAL CG2 C 13 19.1 0.2 . 1 . . . . . . . . 4297 1 909 . 1 1 77 77 VAL C C 13 173.5 0.2 . 1 . . . . . . . . 4297 1 910 . 1 1 78 78 GLY N N 15 105.1 0.1 . 1 . . . . . . . . 4297 1 911 . 1 1 78 78 GLY H H 1 7.39 0.02 . 1 . . . . . . . . 4297 1 912 . 1 1 78 78 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 4297 1 913 . 1 1 78 78 GLY HA2 H 1 4.35 0.02 . 2 . . . . . . . . 4297 1 914 . 1 1 78 78 GLY HA3 H 1 3.55 0.02 . 2 . . . . . . . . 4297 1 915 . 1 1 79 79 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 4297 1 916 . 1 1 79 79 GLY H H 1 7.94 0.02 . 1 . . . . . . . . 4297 1 917 . 1 1 79 79 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 4297 1 918 . 1 1 79 79 GLY HA2 H 1 4.43 0.02 . 2 . . . . . . . . 4297 1 919 . 1 1 79 79 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 4297 1 920 . 1 1 80 80 PHE CA C 13 62.5 0.2 . 1 . . . . . . . . 4297 1 921 . 1 1 80 80 PHE HA H 1 3.73 0.02 . 1 . . . . . . . . 4297 1 922 . 1 1 80 80 PHE HB2 H 1 3.02 0.02 . 1 . . . . . . . . 4297 1 923 . 1 1 80 80 PHE HB3 H 1 2.87 0.02 . 1 . . . . . . . . 4297 1 924 . 1 1 80 80 PHE HE1 H 1 7.11 0.02 . 1 . . . . . . . . 4297 1 925 . 1 1 80 80 PHE HE2 H 1 7.11 0.02 . 1 . . . . . . . . 4297 1 926 . 1 1 80 80 PHE CE1 C 13 131.2 0.2 . 1 . . . . . . . . 4297 1 927 . 1 1 80 80 PHE CZ C 13 129.5 0.2 . 1 . . . . . . . . 4297 1 928 . 1 1 80 80 PHE HZ H 1 7.12 0.02 . 1 . . . . . . . . 4297 1 929 . 1 1 81 81 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 4297 1 930 . 1 1 81 81 ALA HA H 1 3.92 0.02 . 1 . . . . . . . . 4297 1 931 . 1 1 81 81 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4297 1 932 . 1 1 81 81 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4297 1 933 . 1 1 81 81 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4297 1 934 . 1 1 81 81 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 4297 1 935 . 1 1 81 81 ALA C C 13 180.1 0.2 . 1 . . . . . . . . 4297 1 936 . 1 1 82 82 TYR N N 15 117.4 0.1 . 1 . . . . . . . . 4297 1 937 . 1 1 82 82 TYR H H 1 7.14 0.02 . 1 . . . . . . . . 4297 1 938 . 1 1 82 82 TYR CA C 13 61.4 0.2 . 1 . . . . . . . . 4297 1 939 . 1 1 82 82 TYR HA H 1 4.37 0.02 . 1 . . . . . . . . 4297 1 940 . 1 1 82 82 TYR CB C 13 38.6 0.2 . 1 . . . . . . . . 4297 1 941 . 1 1 82 82 TYR HB2 H 1 3.17 0.02 . 1 . . . . . . . . 4297 1 942 . 1 1 82 82 TYR HB3 H 1 2.80 0.02 . 1 . . . . . . . . 4297 1 943 . 1 1 82 82 TYR HD1 H 1 7.20 0.02 . 1 . . . . . . . . 4297 1 944 . 1 1 82 82 TYR HD2 H 1 7.20 0.02 . 1 . . . . . . . . 4297 1 945 . 1 1 82 82 TYR HE1 H 1 6.70 0.02 . 1 . . . . . . . . 4297 1 946 . 1 1 82 82 TYR HE2 H 1 6.70 0.02 . 1 . . . . . . . . 4297 1 947 . 1 1 82 82 TYR CD1 C 13 133.5 0.2 . 1 . . . . . . . . 4297 1 948 . 1 1 82 82 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 4297 1 949 . 1 1 82 82 TYR C C 13 177.1 0.2 . 1 . . . . . . . . 4297 1 950 . 1 1 83 83 LEU N N 15 116.8 0.1 . 1 . . . . . . . . 4297 1 951 . 1 1 83 83 LEU H H 1 7.02 0.02 . 1 . . . . . . . . 4297 1 952 . 1 1 83 83 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 4297 1 953 . 1 1 83 83 LEU HA H 1 3.55 0.02 . 1 . . . . . . . . 4297 1 954 . 1 1 83 83 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 4297 1 955 . 1 1 83 83 LEU HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4297 1 956 . 1 1 83 83 LEU HB3 H 1 1.05 0.02 . 1 . . . . . . . . 4297 1 957 . 1 1 83 83 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 4297 1 958 . 1 1 83 83 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 4297 1 959 . 1 1 83 83 LEU HD11 H 1 0.68 0.02 . 1 . . . . . . . . 4297 1 960 . 1 1 83 83 LEU HD12 H 1 0.68 0.02 . 1 . . . . . . . . 4297 1 961 . 1 1 83 83 LEU HD13 H 1 0.68 0.02 . 1 . . . . . . . . 4297 1 962 . 1 1 83 83 LEU HD21 H 1 0.67 0.02 . 1 . . . . . . . . 4297 1 963 . 1 1 83 83 LEU HD22 H 1 0.67 0.02 . 1 . . . . . . . . 4297 1 964 . 1 1 83 83 LEU HD23 H 1 0.67 0.02 . 1 . . . . . . . . 4297 1 965 . 1 1 83 83 LEU CD1 C 13 26.2 0.2 . 1 . . . . . . . . 4297 1 966 . 1 1 83 83 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 4297 1 967 . 1 1 83 83 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 4297 1 968 . 1 1 84 84 ALA N N 15 119.2 0.1 . 1 . . . . . . . . 4297 1 969 . 1 1 84 84 ALA H H 1 8.42 0.02 . 1 . . . . . . . . 4297 1 970 . 1 1 84 84 ALA CA C 13 54.4 0.2 . 1 . . . . . . . . 4297 1 971 . 1 1 84 84 ALA HA H 1 3.65 0.02 . 1 . . . . . . . . 4297 1 972 . 1 1 84 84 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 973 . 1 1 84 84 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 974 . 1 1 84 84 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 975 . 1 1 84 84 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 4297 1 976 . 1 1 84 84 ALA C C 13 180.5 0.2 . 1 . . . . . . . . 4297 1 977 . 1 1 85 85 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 4297 1 978 . 1 1 85 85 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 4297 1 979 . 1 1 85 85 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 4297 1 980 . 1 1 85 85 GLU HA H 1 3.80 0.02 . 1 . . . . . . . . 4297 1 981 . 1 1 85 85 GLU CB C 13 28.8 0.2 . 1 . . . . . . . . 4297 1 982 . 1 1 85 85 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4297 1 983 . 1 1 85 85 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4297 1 984 . 1 1 85 85 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 4297 1 985 . 1 1 85 85 GLU HG2 H 1 2.14 0.02 . 2 . . . . . . . . 4297 1 986 . 1 1 85 85 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 4297 1 987 . 1 1 85 85 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 4297 1 988 . 1 1 86 86 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4297 1 989 . 1 1 86 86 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 4297 1 990 . 1 1 86 86 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 4297 1 991 . 1 1 86 86 LEU HA H 1 3.68 0.02 . 1 . . . . . . . . 4297 1 992 . 1 1 86 86 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4297 1 993 . 1 1 86 86 LEU HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4297 1 994 . 1 1 86 86 LEU HB3 H 1 0.89 0.02 . 1 . . . . . . . . 4297 1 995 . 1 1 86 86 LEU CG C 13 25.7 0.2 . 1 . . . . . . . . 4297 1 996 . 1 1 86 86 LEU HG H 1 1.32 0.02 . 1 . . . . . . . . 4297 1 997 . 1 1 86 86 LEU HD11 H 1 0.62 0.02 . 1 . . . . . . . . 4297 1 998 . 1 1 86 86 LEU HD12 H 1 0.62 0.02 . 1 . . . . . . . . 4297 1 999 . 1 1 86 86 LEU HD13 H 1 0.62 0.02 . 1 . . . . . . . . 4297 1 1000 . 1 1 86 86 LEU HD21 H 1 0.68 0.02 . 1 . . . . . . . . 4297 1 1001 . 1 1 86 86 LEU HD22 H 1 0.68 0.02 . 1 . . . . . . . . 4297 1 1002 . 1 1 86 86 LEU HD23 H 1 0.68 0.02 . 1 . . . . . . . . 4297 1 1003 . 1 1 86 86 LEU CD1 C 13 26.2 0.2 . 1 . . . . . . . . 4297 1 1004 . 1 1 86 86 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . 4297 1 1005 . 1 1 86 86 LEU C C 13 179.4 0.2 . 1 . . . . . . . . 4297 1 1006 . 1 1 87 87 SER N N 15 111.8 0.1 . 1 . . . . . . . . 4297 1 1007 . 1 1 87 87 SER H H 1 7.54 0.02 . 1 . . . . . . . . 4297 1 1008 . 1 1 87 87 SER CA C 13 60.5 0.2 . 1 . . . . . . . . 4297 1 1009 . 1 1 87 87 SER HA H 1 4.19 0.02 . 1 . . . . . . . . 4297 1 1010 . 1 1 87 87 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 4297 1 1011 . 1 1 87 87 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 4297 1 1012 . 1 1 87 87 SER HB3 H 1 3.95 0.02 . 1 . . . . . . . . 4297 1 1013 . 1 1 87 87 SER C C 13 175.5 0.2 . 1 . . . . . . . . 4297 1 1014 . 1 1 88 88 LYS N N 15 120.3 0.1 . 1 . . . . . . . . 4297 1 1015 . 1 1 88 88 LYS H H 1 7.68 0.02 . 1 . . . . . . . . 4297 1 1016 . 1 1 88 88 LYS CA C 13 57.7 0.2 . 1 . . . . . . . . 4297 1 1017 . 1 1 88 88 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 4297 1 1018 . 1 1 88 88 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4297 1 1019 . 1 1 88 88 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4297 1 1020 . 1 1 88 88 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4297 1 1021 . 1 1 88 88 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 4297 1 1022 . 1 1 88 88 LYS HG2 H 1 1.49 0.02 . 2 . . . . . . . . 4297 1 1023 . 1 1 88 88 LYS HG3 H 1 1.41 0.02 . 2 . . . . . . . . 4297 1 1024 . 1 1 88 88 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 4297 1 1025 . 1 1 88 88 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 4297 1 1026 . 1 1 88 88 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 4297 1 1027 . 1 1 88 88 LYS CE C 13 41.7 0.2 . 1 . . . . . . . . 4297 1 1028 . 1 1 88 88 LYS HE2 H 1 2.84 0.02 . 1 . . . . . . . . 4297 1 1029 . 1 1 88 88 LYS HE3 H 1 2.84 0.02 . 1 . . . . . . . . 4297 1 1030 . 1 1 88 88 LYS C C 13 177.6 0.2 . 1 . . . . . . . . 4297 1 1031 . 1 1 89 89 ASN N N 15 116.7 0.1 . 1 . . . . . . . . 4297 1 1032 . 1 1 89 89 ASN H H 1 7.75 0.02 . 1 . . . . . . . . 4297 1 1033 . 1 1 89 89 ASN CA C 13 53.4 0.2 . 1 . . . . . . . . 4297 1 1034 . 1 1 89 89 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 4297 1 1035 . 1 1 89 89 ASN CB C 13 39.1 0.2 . 1 . . . . . . . . 4297 1 1036 . 1 1 89 89 ASN HB2 H 1 2.75 0.02 . 1 . . . . . . . . 4297 1 1037 . 1 1 89 89 ASN HB3 H 1 2.75 0.02 . 1 . . . . . . . . 4297 1 1038 . 1 1 89 89 ASN ND2 N 15 113.3 0.1 . 1 . . . . . . . . 4297 1 1039 . 1 1 89 89 ASN HD21 H 1 7.43 0.02 . 1 . . . . . . . . 4297 1 1040 . 1 1 89 89 ASN HD22 H 1 6.98 0.02 . 1 . . . . . . . . 4297 1 1041 . 1 1 89 89 ASN C C 13 174.1 0.2 . 1 . . . . . . . . 4297 1 1042 . 1 1 90 90 THR N N 15 114.7 0.1 . 1 . . . . . . . . 4297 1 1043 . 1 1 90 90 THR H H 1 7.48 0.02 . 1 . . . . . . . . 4297 1 1044 . 1 1 90 90 THR CA C 13 59.5 0.2 . 1 . . . . . . . . 4297 1 1045 . 1 1 90 90 THR HA H 1 4.55 0.02 . 1 . . . . . . . . 4297 1 1046 . 1 1 90 90 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 4297 1 1047 . 1 1 90 90 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 4297 1 1048 . 1 1 90 90 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 4297 1 1049 . 1 1 90 90 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 4297 1 1050 . 1 1 90 90 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 4297 1 1051 . 1 1 90 90 THR CG2 C 13 20.9 0.2 . 1 . . . . . . . . 4297 1 1052 . 1 1 91 91 PRO CD C 13 50.9 0.2 . 1 . . . . . . . . 4297 1 1053 . 1 1 91 91 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 4297 1 1054 . 1 1 91 91 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 4297 1 1055 . 1 1 91 91 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4297 1 1056 . 1 1 91 91 PRO HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4297 1 1057 . 1 1 91 91 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4297 1 1058 . 1 1 91 91 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4297 1 1059 . 1 1 91 91 PRO HG2 H 1 1.98 0.02 . 1 . . . . . . . . 4297 1 1060 . 1 1 91 91 PRO HG3 H 1 1.98 0.02 . 1 . . . . . . . . 4297 1 1061 . 1 1 91 91 PRO HD2 H 1 3.70 0.02 . 1 . . . . . . . . 4297 1 1062 . 1 1 91 91 PRO HD3 H 1 3.70 0.02 . 1 . . . . . . . . 4297 1 1063 . 1 1 91 91 PRO C C 13 176.5 0.2 . 1 . . . . . . . . 4297 1 1064 . 1 1 92 92 SER N N 15 113.3 0.1 . 1 . . . . . . . . 4297 1 1065 . 1 1 92 92 SER H H 1 7.96 0.02 . 1 . . . . . . . . 4297 1 1066 . 1 1 92 92 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 4297 1 1067 . 1 1 92 92 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 4297 1 1068 . 1 1 92 92 SER CB C 13 64.2 0.2 . 1 . . . . . . . . 4297 1 1069 . 1 1 92 92 SER HB2 H 1 4.03 0.02 . 2 . . . . . . . . 4297 1 1070 . 1 1 92 92 SER HB3 H 1 3.84 0.02 . 2 . . . . . . . . 4297 1 1071 . 1 1 92 92 SER C C 13 174.3 0.2 . 1 . . . . . . . . 4297 1 1072 . 1 1 93 93 ALA N N 15 125.6 0.1 . 1 . . . . . . . . 4297 1 1073 . 1 1 93 93 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 4297 1 1074 . 1 1 93 93 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 4297 1 1075 . 1 1 93 93 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . 4297 1 1076 . 1 1 93 93 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4297 1 1077 . 1 1 93 93 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4297 1 1078 . 1 1 93 93 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4297 1 1079 . 1 1 93 93 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4297 1 1080 . 1 1 93 93 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 4297 1 1081 . 1 1 94 94 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 4297 1 1082 . 1 1 94 94 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4297 1 1083 . 1 1 94 94 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 4297 1 1084 . 1 1 94 94 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4297 1 1085 . 1 1 94 94 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 4297 1 1086 . 1 1 94 94 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 4297 1 1087 . 1 1 94 94 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4297 1 1088 . 1 1 94 94 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4297 1 1089 . 1 1 94 94 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 4297 1 1090 . 1 1 95 95 ASN N N 15 116.2 0.1 . 1 . . . . . . . . 4297 1 1091 . 1 1 95 95 ASN H H 1 8.28 0.02 . 1 . . . . . . . . 4297 1 1092 . 1 1 95 95 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . 4297 1 1093 . 1 1 95 95 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 4297 1 1094 . 1 1 95 95 ASN CB C 13 38.4 0.2 . 1 . . . . . . . . 4297 1 1095 . 1 1 95 95 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . 4297 1 1096 . 1 1 95 95 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4297 1 1097 . 1 1 95 95 ASN ND2 N 15 111.9 0.1 . 1 . . . . . . . . 4297 1 1098 . 1 1 95 95 ASN HD21 H 1 7.36 0.02 . 2 . . . . . . . . 4297 1 1099 . 1 1 95 95 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . 4297 1 1100 . 1 1 95 95 ASN C C 13 176.1 0.2 . 1 . . . . . . . . 4297 1 1101 . 1 1 96 96 ILE N N 15 121.0 0.1 . 1 . . . . . . . . 4297 1 1102 . 1 1 96 96 ILE H H 1 7.99 0.02 . 1 . . . . . . . . 4297 1 1103 . 1 1 96 96 ILE CA C 13 66.1 0.2 . 1 . . . . . . . . 4297 1 1104 . 1 1 96 96 ILE HA H 1 3.91 0.02 . 1 . . . . . . . . 4297 1 1105 . 1 1 96 96 ILE CB C 13 38.0 0.2 . 1 . . . . . . . . 4297 1 1106 . 1 1 96 96 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4297 1 1107 . 1 1 96 96 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 1108 . 1 1 96 96 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 1109 . 1 1 96 96 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 1110 . 1 1 96 96 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 4297 1 1111 . 1 1 96 96 ILE CG1 C 13 29.4 0.2 . 1 . . . . . . . . 4297 1 1112 . 1 1 96 96 ILE HG12 H 1 1.22 0.02 . 2 . . . . . . . . 4297 1 1113 . 1 1 96 96 ILE HG13 H 1 1.68 0.02 . 2 . . . . . . . . 4297 1 1114 . 1 1 96 96 ILE HD11 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 1115 . 1 1 96 96 ILE HD12 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 1116 . 1 1 96 96 ILE HD13 H 1 0.98 0.02 . 1 . . . . . . . . 4297 1 1117 . 1 1 96 96 ILE CD1 C 13 14.3 0.2 . 1 . . . . . . . . 4297 1 1118 . 1 1 96 96 ILE C C 13 176.8 0.2 . 1 . . . . . . . . 4297 1 1119 . 1 1 97 97 SER N N 15 117.4 0.1 . 1 . . . . . . . . 4297 1 1120 . 1 1 97 97 SER H H 1 8.14 0.02 . 1 . . . . . . . . 4297 1 1121 . 1 1 97 97 SER CA C 13 62.4 0.2 . 1 . . . . . . . . 4297 1 1122 . 1 1 97 97 SER HA H 1 3.81 0.02 . 1 . . . . . . . . 4297 1 1123 . 1 1 97 97 SER CB C 13 62.3 0.2 . 1 . . . . . . . . 4297 1 1124 . 1 1 97 97 SER HB2 H 1 3.73 0.02 . 2 . . . . . . . . 4297 1 1125 . 1 1 97 97 SER HB3 H 1 3.67 0.02 . 2 . . . . . . . . 4297 1 1126 . 1 1 97 97 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4297 1 1127 . 1 1 98 98 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 4297 1 1128 . 1 1 98 98 ALA H H 1 7.21 0.02 . 1 . . . . . . . . 4297 1 1129 . 1 1 98 98 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 4297 1 1130 . 1 1 98 98 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 4297 1 1131 . 1 1 98 98 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4297 1 1132 . 1 1 98 98 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4297 1 1133 . 1 1 98 98 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4297 1 1134 . 1 1 98 98 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4297 1 1135 . 1 1 98 98 ALA C C 13 181.4 0.2 . 1 . . . . . . . . 4297 1 1136 . 1 1 99 99 TYR N N 15 116.9 0.1 . 1 . . . . . . . . 4297 1 1137 . 1 1 99 99 TYR H H 1 7.70 0.02 . 1 . . . . . . . . 4297 1 1138 . 1 1 99 99 TYR CA C 13 60.8 0.2 . 1 . . . . . . . . 4297 1 1139 . 1 1 99 99 TYR HA H 1 4.39 0.02 . 1 . . . . . . . . 4297 1 1140 . 1 1 99 99 TYR CB C 13 37.6 0.2 . 1 . . . . . . . . 4297 1 1141 . 1 1 99 99 TYR HB2 H 1 2.85 0.02 . 1 . . . . . . . . 4297 1 1142 . 1 1 99 99 TYR HB3 H 1 3.26 0.02 . 1 . . . . . . . . 4297 1 1143 . 1 1 99 99 TYR HD1 H 1 6.96 0.02 . 1 . . . . . . . . 4297 1 1144 . 1 1 99 99 TYR HD2 H 1 6.96 0.02 . 1 . . . . . . . . 4297 1 1145 . 1 1 99 99 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 4297 1 1146 . 1 1 99 99 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 4297 1 1147 . 1 1 99 99 TYR CD1 C 13 132.2 0.2 . 1 . . . . . . . . 4297 1 1148 . 1 1 99 99 TYR CE1 C 13 118.4 0.2 . 1 . . . . . . . . 4297 1 1149 . 1 1 99 99 TYR C C 13 177.8 0.2 . 1 . . . . . . . . 4297 1 1150 . 1 1 100 100 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 4297 1 1151 . 1 1 100 100 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4297 1 1152 . 1 1 100 100 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 4297 1 1153 . 1 1 100 100 ALA HA H 1 3.73 0.02 . 1 . . . . . . . . 4297 1 1154 . 1 1 100 100 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4297 1 1155 . 1 1 100 100 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4297 1 1156 . 1 1 100 100 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4297 1 1157 . 1 1 100 100 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 4297 1 1158 . 1 1 100 100 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 4297 1 1159 . 1 1 101 101 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 4297 1 1160 . 1 1 101 101 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4297 1 1161 . 1 1 101 101 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4297 1 1162 . 1 1 101 101 ASP HA H 1 4.37 0.02 . 1 . . . . . . . . 4297 1 1163 . 1 1 101 101 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 4297 1 1164 . 1 1 101 101 ASP HB2 H 1 2.86 0.02 . 1 . . . . . . . . 4297 1 1165 . 1 1 101 101 ASP HB3 H 1 2.60 0.02 . 1 . . . . . . . . 4297 1 1166 . 1 1 101 101 ASP C C 13 179.1 0.2 . 1 . . . . . . . . 4297 1 1167 . 1 1 102 102 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 4297 1 1168 . 1 1 102 102 ILE H H 1 7.42 0.02 . 1 . . . . . . . . 4297 1 1169 . 1 1 102 102 ILE CA C 13 65.3 0.2 . 1 . . . . . . . . 4297 1 1170 . 1 1 102 102 ILE HA H 1 3.76 0.02 . 1 . . . . . . . . 4297 1 1171 . 1 1 102 102 ILE CB C 13 37.8 0.2 . 1 . . . . . . . . 4297 1 1172 . 1 1 102 102 ILE HB H 1 2.12 0.02 . 1 . . . . . . . . 4297 1 1173 . 1 1 102 102 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4297 1 1174 . 1 1 102 102 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4297 1 1175 . 1 1 102 102 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4297 1 1176 . 1 1 102 102 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 4297 1 1177 . 1 1 102 102 ILE CG1 C 13 29.0 0.2 . 1 . . . . . . . . 4297 1 1178 . 1 1 102 102 ILE HG12 H 1 1.07 0.02 . 1 . . . . . . . . 4297 1 1179 . 1 1 102 102 ILE HG13 H 1 1.79 0.02 . 1 . . . . . . . . 4297 1 1180 . 1 1 102 102 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4297 1 1181 . 1 1 102 102 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4297 1 1182 . 1 1 102 102 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4297 1 1183 . 1 1 102 102 ILE CD1 C 13 13.3 0.2 . 1 . . . . . . . . 4297 1 1184 . 1 1 102 102 ILE C C 13 177.4 0.2 . 1 . . . . . . . . 4297 1 1185 . 1 1 103 103 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 4297 1 1186 . 1 1 103 103 VAL H H 1 7.75 0.02 . 1 . . . . . . . . 4297 1 1187 . 1 1 103 103 VAL CA C 13 67.0 0.2 . 1 . . . . . . . . 4297 1 1188 . 1 1 103 103 VAL HA H 1 3.39 0.02 . 1 . . . . . . . . 4297 1 1189 . 1 1 103 103 VAL CB C 13 31.3 0.2 . 1 . . . . . . . . 4297 1 1190 . 1 1 103 103 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4297 1 1191 . 1 1 103 103 VAL HG11 H 1 0.03 0.02 . 1 . . . . . . . . 4297 1 1192 . 1 1 103 103 VAL HG12 H 1 0.03 0.02 . 1 . . . . . . . . 4297 1 1193 . 1 1 103 103 VAL HG13 H 1 0.03 0.02 . 1 . . . . . . . . 4297 1 1194 . 1 1 103 103 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 1195 . 1 1 103 103 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 1196 . 1 1 103 103 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4297 1 1197 . 1 1 103 103 VAL CG1 C 13 20.4 0.2 . 1 . . . . . . . . 4297 1 1198 . 1 1 103 103 VAL CG2 C 13 23.2 0.2 . 1 . . . . . . . . 4297 1 1199 . 1 1 103 103 VAL C C 13 179.7 0.2 . 1 . . . . . . . . 4297 1 1200 . 1 1 104 104 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 4297 1 1201 . 1 1 104 104 ARG H H 1 8.05 0.02 . 1 . . . . . . . . 4297 1 1202 . 1 1 104 104 ARG CA C 13 59.3 0.2 . 1 . . . . . . . . 4297 1 1203 . 1 1 104 104 ARG HA H 1 3.81 0.02 . 1 . . . . . . . . 4297 1 1204 . 1 1 104 104 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . 4297 1 1205 . 1 1 104 104 ARG HB2 H 1 2.12 0.02 . 1 . . . . . . . . 4297 1 1206 . 1 1 104 104 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4297 1 1207 . 1 1 104 104 ARG HG2 H 1 1.57 0.02 . 2 . . . . . . . . 4297 1 1208 . 1 1 104 104 ARG HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4297 1 1209 . 1 1 104 104 ARG CD C 13 42.2 0.2 . 1 . . . . . . . . 4297 1 1210 . 1 1 104 104 ARG HD2 H 1 3.26 0.02 . 2 . . . . . . . . 4297 1 1211 . 1 1 104 104 ARG HD3 H 1 3.36 0.02 . 2 . . . . . . . . 4297 1 1212 . 1 1 104 104 ARG C C 13 177.3 0.2 . 1 . . . . . . . . 4297 1 1213 . 1 1 105 105 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 4297 1 1214 . 1 1 105 105 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 4297 1 1215 . 1 1 105 105 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 4297 1 1216 . 1 1 105 105 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 4297 1 1217 . 1 1 105 105 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 4297 1 1218 . 1 1 105 105 GLU HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4297 1 1219 . 1 1 105 105 GLU HB3 H 1 2.17 0.02 . 1 . . . . . . . . 4297 1 1220 . 1 1 105 105 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4297 1 1221 . 1 1 105 105 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4297 1 1222 . 1 1 105 105 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 4297 1 1223 . 1 1 105 105 GLU C C 13 179.9 0.2 . 1 . . . . . . . . 4297 1 1224 . 1 1 106 106 ARG N N 15 116.1 0.1 . 1 . . . . . . . . 4297 1 1225 . 1 1 106 106 ARG H H 1 8.59 0.02 . 1 . . . . . . . . 4297 1 1226 . 1 1 106 106 ARG CA C 13 57.6 0.2 . 1 . . . . . . . . 4297 1 1227 . 1 1 106 106 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 4297 1 1228 . 1 1 106 106 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 4297 1 1229 . 1 1 106 106 ARG HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4297 1 1230 . 1 1 106 106 ARG HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4297 1 1231 . 1 1 106 106 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4297 1 1232 . 1 1 106 106 ARG HG2 H 1 1.37 0.02 . 2 . . . . . . . . 4297 1 1233 . 1 1 106 106 ARG HG3 H 1 2.04 0.02 . 2 . . . . . . . . 4297 1 1234 . 1 1 106 106 ARG CD C 13 42.7 0.2 . 1 . . . . . . . . 4297 1 1235 . 1 1 106 106 ARG HD2 H 1 2.97 0.02 . 2 . . . . . . . . 4297 1 1236 . 1 1 106 106 ARG HD3 H 1 2.90 0.02 . 2 . . . . . . . . 4297 1 1237 . 1 1 106 106 ARG C C 13 177.4 0.2 . 1 . . . . . . . . 4297 1 1238 . 1 1 107 107 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 4297 1 1239 . 1 1 107 107 ALA H H 1 7.58 0.02 . 1 . . . . . . . . 4297 1 1240 . 1 1 107 107 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 4297 1 1241 . 1 1 107 107 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 4297 1 1242 . 1 1 107 107 ALA HB1 H 1 1.71 0.02 . 1 . . . . . . . . 4297 1 1243 . 1 1 107 107 ALA HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4297 1 1244 . 1 1 107 107 ALA HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4297 1 1245 . 1 1 107 107 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4297 1 1246 . 1 1 107 107 ALA C C 13 180.2 0.2 . 1 . . . . . . . . 4297 1 1247 . 1 1 108 108 VAL N N 15 119.6 0.1 . 1 . . . . . . . . 4297 1 1248 . 1 1 108 108 VAL H H 1 8.01 0.02 . 1 . . . . . . . . 4297 1 1249 . 1 1 108 108 VAL CA C 13 66.1 0.2 . 1 . . . . . . . . 4297 1 1250 . 1 1 108 108 VAL HA H 1 3.67 0.02 . 1 . . . . . . . . 4297 1 1251 . 1 1 108 108 VAL CB C 13 31.8 0.2 . 1 . . . . . . . . 4297 1 1252 . 1 1 108 108 VAL HB H 1 2.24 0.02 . 1 . . . . . . . . 4297 1 1253 . 1 1 108 108 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 4297 1 1254 . 1 1 108 108 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 4297 1 1255 . 1 1 108 108 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 4297 1 1256 . 1 1 108 108 VAL HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 1257 . 1 1 108 108 VAL HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 1258 . 1 1 108 108 VAL HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4297 1 1259 . 1 1 108 108 VAL CG1 C 13 21.0 0.2 . 1 . . . . . . . . 4297 1 1260 . 1 1 108 108 VAL CG2 C 13 22.2 0.2 . 1 . . . . . . . . 4297 1 1261 . 1 1 108 108 VAL C C 13 178.9 0.2 . 1 . . . . . . . . 4297 1 1262 . 1 1 109 109 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 4297 1 1263 . 1 1 109 109 VAL H H 1 7.50 0.02 . 1 . . . . . . . . 4297 1 1264 . 1 1 109 109 VAL CA C 13 65.5 0.2 . 1 . . . . . . . . 4297 1 1265 . 1 1 109 109 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 4297 1 1266 . 1 1 109 109 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 4297 1 1267 . 1 1 109 109 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4297 1 1268 . 1 1 109 109 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 4297 1 1269 . 1 1 109 109 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 4297 1 1270 . 1 1 109 109 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 4297 1 1271 . 1 1 109 109 VAL HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4297 1 1272 . 1 1 109 109 VAL HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4297 1 1273 . 1 1 109 109 VAL HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4297 1 1274 . 1 1 109 109 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 4297 1 1275 . 1 1 109 109 VAL CG2 C 13 22.1 0.2 . 1 . . . . . . . . 4297 1 1276 . 1 1 109 109 VAL C C 13 178.3 0.2 . 1 . . . . . . . . 4297 1 1277 . 1 1 110 110 ARG N N 15 120.1 0.1 . 1 . . . . . . . . 4297 1 1278 . 1 1 110 110 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 4297 1 1279 . 1 1 110 110 ARG CA C 13 59.7 0.2 . 1 . . . . . . . . 4297 1 1280 . 1 1 110 110 ARG HA H 1 4.01 0.02 . 1 . . . . . . . . 4297 1 1281 . 1 1 110 110 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 4297 1 1282 . 1 1 110 110 ARG HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4297 1 1283 . 1 1 110 110 ARG HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4297 1 1284 . 1 1 110 110 ARG CG C 13 28.7 0.2 . 1 . . . . . . . . 4297 1 1285 . 1 1 110 110 ARG HG2 H 1 1.51 0.02 . 2 . . . . . . . . 4297 1 1286 . 1 1 110 110 ARG HG3 H 1 2.03 0.02 . 2 . . . . . . . . 4297 1 1287 . 1 1 110 110 ARG CD C 13 43.7 0.2 . 1 . . . . . . . . 4297 1 1288 . 1 1 110 110 ARG HD2 H 1 3.37 0.02 . 1 . . . . . . . . 4297 1 1289 . 1 1 110 110 ARG HD3 H 1 3.37 0.02 . 1 . . . . . . . . 4297 1 1290 . 1 1 110 110 ARG C C 13 177.9 0.2 . 1 . . . . . . . . 4297 1 1291 . 1 1 111 111 GLU N N 15 117.6 0.1 . 1 . . . . . . . . 4297 1 1292 . 1 1 111 111 GLU H H 1 7.83 0.02 . 1 . . . . . . . . 4297 1 1293 . 1 1 111 111 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 4297 1 1294 . 1 1 111 111 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4297 1 1295 . 1 1 111 111 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 4297 1 1296 . 1 1 111 111 GLU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 4297 1 1297 . 1 1 111 111 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4297 1 1298 . 1 1 111 111 GLU HG2 H 1 2.40 0.02 . 2 . . . . . . . . 4297 1 1299 . 1 1 111 111 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 4297 1 1300 . 1 1 111 111 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 4297 1 1301 . 1 1 112 112 MET N N 15 118.4 0.1 . 1 . . . . . . . . 4297 1 1302 . 1 1 112 112 MET H H 1 7.75 0.02 . 1 . . . . . . . . 4297 1 1303 . 1 1 112 112 MET CA C 13 56.6 0.2 . 1 . . . . . . . . 4297 1 1304 . 1 1 112 112 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 4297 1 1305 . 1 1 112 112 MET CB C 13 32.9 0.2 . 1 . . . . . . . . 4297 1 1306 . 1 1 112 112 MET HB2 H 1 2.17 0.02 . 1 . . . . . . . . 4297 1 1307 . 1 1 112 112 MET HB3 H 1 2.17 0.02 . 1 . . . . . . . . 4297 1 1308 . 1 1 112 112 MET CG C 13 32.3 0.2 . 1 . . . . . . . . 4297 1 1309 . 1 1 112 112 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 4297 1 1310 . 1 1 112 112 MET HG3 H 1 2.73 0.02 . 2 . . . . . . . . 4297 1 1311 . 1 1 112 112 MET C C 13 176.7 0.2 . 1 . . . . . . . . 4297 1 1312 . 1 1 113 113 ILE N N 15 119.4 0.1 . 1 . . . . . . . . 4297 1 1313 . 1 1 113 113 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 4297 1 1314 . 1 1 113 113 ILE CA C 13 61.5 0.2 . 1 . . . . . . . . 4297 1 1315 . 1 1 113 113 ILE HA H 1 4.29 0.02 . 1 . . . . . . . . 4297 1 1316 . 1 1 113 113 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 4297 1 1317 . 1 1 113 113 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 4297 1 1318 . 1 1 113 113 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4297 1 1319 . 1 1 113 113 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4297 1 1320 . 1 1 113 113 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4297 1 1321 . 1 1 113 113 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 4297 1 1322 . 1 1 113 113 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 4297 1 1323 . 1 1 113 113 ILE HG12 H 1 1.50 0.02 . 2 . . . . . . . . 4297 1 1324 . 1 1 113 113 ILE HG13 H 1 1.28 0.02 . 2 . . . . . . . . 4297 1 1325 . 1 1 113 113 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4297 1 1326 . 1 1 113 113 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4297 1 1327 . 1 1 113 113 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4297 1 1328 . 1 1 113 113 ILE CD1 C 13 13.2 0.2 . 1 . . . . . . . . 4297 1 1329 . 1 1 113 113 ILE C C 13 175.5 0.2 . 1 . . . . . . . . 4297 1 1330 . 1 1 114 114 SER N N 15 125.0 0.1 . 1 . . . . . . . . 4297 1 1331 . 1 1 114 114 SER H H 1 7.76 0.02 . 1 . . . . . . . . 4297 1 1332 . 1 1 114 114 SER CA C 13 60.2 0.2 . 1 . . . . . . . . 4297 1 1333 . 1 1 114 114 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 4297 1 1334 . 1 1 114 114 SER CB C 13 65.0 0.2 . 1 . . . . . . . . 4297 1 1335 . 1 1 114 114 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 4297 1 1336 . 1 1 114 114 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 4297 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values _Coupling_constant_list.Entry_ID 4297 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details ; J3HNHB and J3HAHB were only qualitatively measured and classified as big (HNHB <-3 Hz, HAHB >9 Hz) 9..11) or small (HNHB >-2.5Hz) ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4297 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 8 8 ILE H . . . . 1 1 8 8 ILE HA . . . 2.8 . . 1.0 . . . . . . . . . . . 4297 1 2 3JHNHA . 1 1 9 9 GLU H . . . . 1 1 9 9 GLU HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4297 1 3 3JHNHA . 1 1 10 10 ALA H . . . . 1 1 10 10 ALA HA . . . 4.6 . . 1.0 . . . . . . . . . . . 4297 1 4 3JHNHA . 1 1 11 11 GLU H . . . . 1 1 11 11 GLU HA . . . 4.1 . . 1.0 . . . . . . . . . . . 4297 1 5 3JHNHA . 1 1 12 12 GLN H . . . . 1 1 12 12 GLN HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4297 1 6 3JHNHA . 1 1 13 13 SER H . . . . 1 1 13 13 SER HA . . . 4.9 . . 1.0 . . . . . . . . . . . 4297 1 7 3JHNHA . 1 1 14 14 VAL H . . . . 1 1 14 14 VAL HA . . . 5.3 . . 1.0 . . . . . . . . . . . 4297 1 8 3JHNHA . 1 1 15 15 LEU H . . . . 1 1 15 15 LEU HA . . . 5.0 . . 1.0 . . . . . . . . . . . 4297 1 9 3JHNHA . 1 1 18 18 LEU H . . . . 1 1 18 18 LEU HA . . . 4.9 . . 1.0 . . . . . . . . . . . 4297 1 10 3JHNHA . 1 1 19 19 MET H . . . . 1 1 19 19 MET HA . . . 5.0 . . 1.0 . . . . . . . . . . . 4297 1 11 3JHNHA . 1 1 20 20 LEU H . . . . 1 1 20 20 LEU HA . . . 6.8 . . 1.0 . . . . . . . . . . . 4297 1 12 3JHNHA . 1 1 21 21 ASP H . . . . 1 1 21 21 ASP HA . . . 8.1 . . 1.0 . . . . . . . . . . . 4297 1 13 3JHNHA . 1 1 22 22 ASN H . . . . 1 1 22 22 ASN HA . . . 4.7 . . 1.0 . . . . . . . . . . . 4297 1 14 3JHNHA . 1 1 23 23 GLU H . . . . 1 1 23 23 GLU HA . . . 6.4 . . 1.0 . . . . . . . . . . . 4297 1 15 3JHNHA . 1 1 24 24 ARG H . . . . 1 1 24 24 ARG HA . . . 8.0 . . 1.0 . . . . . . . . . . . 4297 1 16 3JHNHA . 1 1 25 25 TRP H . . . . 1 1 25 25 TRP HA . . . 2.1 . . 1.0 . . . . . . . . . . . 4297 1 17 3JHNHA . 1 1 26 26 ASP H . . . . 1 1 26 26 ASP HA . . . 3.4 . . 1.0 . . . . . . . . . . . 4297 1 18 3JHNHA . 1 1 27 27 ASP H . . . . 1 1 27 27 ASP HA . . . 6.1 . . 1.0 . . . . . . . . . . . 4297 1 19 3JHNHA . 1 1 28 28 VAL H . . . . 1 1 28 28 VAL HA . . . 6.5 . . 1.0 . . . . . . . . . . . 4297 1 20 3JHNHA . 1 1 29 29 ALA H . . . . 1 1 29 29 ALA HA . . . 4.1 . . 1.0 . . . . . . . . . . . 4297 1 21 3JHNHA . 1 1 30 30 GLU H . . . . 1 1 30 30 GLU HA . . . 7.2 . . 1.0 . . . . . . . . . . . 4297 1 22 3JHNHA . 1 1 31 31 ARG H . . . . 1 1 31 31 ARG HA . . . 9.0 . . 1.0 . . . . . . . . . . . 4297 1 23 3JHNHA . 1 1 32 32 VAL H . . . . 1 1 32 32 VAL HA . . . 8.9 . . 1.0 . . . . . . . . . . . 4297 1 24 3JHNHA . 1 1 33 33 VAL H . . . . 1 1 33 33 VAL HA . . . 10.0 . . 1.0 . . . . . . . . . . . 4297 1 25 3JHNHA . 1 1 34 34 ALA H . . . . 1 1 34 34 ALA HA . . . 1.9 . . 1.0 . . . . . . . . . . . 4297 1 26 3JHNHA . 1 1 35 35 ASP H . . . . 1 1 35 35 ASP HA . . . 4.0 . . 1.0 . . . . . . . . . . . 4297 1 27 3JHNHA . 1 1 36 36 ASP H . . . . 1 1 36 36 ASP HA . . . 6.1 . . 1.0 . . . . . . . . . . . 4297 1 28 3JHNHA . 1 1 37 37 PHE H . . . . 1 1 37 37 PHE HA . . . 6.8 . . 1.0 . . . . . . . . . . . 4297 1 29 3JHNHA . 1 1 39 39 THR H . . . . 1 1 39 39 THR HA . . . 8.5 . . 1.0 . . . . . . . . . . . 4297 1 30 3JHNHA . 1 1 42 42 HIS H . . . . 1 1 42 42 HIS HA . . . 3.9 . . 1.0 . . . . . . . . . . . 4297 1 31 3JHNHA . 1 1 43 43 ARG H . . . . 1 1 43 43 ARG HA . . . 4.3 . . 1.0 . . . . . . . . . . . 4297 1 32 3JHNHA . 1 1 44 44 HIS H . . . . 1 1 44 44 HIS HA . . . 4.3 . . 1.0 . . . . . . . . . . . 4297 1 33 3JHNHA . 1 1 45 45 ILE H . . . . 1 1 45 45 ILE HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4297 1 34 3JHNHA . 1 1 46 46 PHE H . . . . 1 1 46 46 PHE HA . . . 3.6 . . 1.0 . . . . . . . . . . . 4297 1 35 3JHNHA . 1 1 47 47 THR H . . . . 1 1 47 47 THR HA . . . 4.0 . . 1.0 . . . . . . . . . . . 4297 1 36 3JHNHA . 1 1 48 48 GLU H . . . . 1 1 48 48 GLU HA . . . 6.0 . . 1.0 . . . . . . . . . . . 4297 1 37 3JHNHA . 1 1 49 49 MET H . . . . 1 1 49 49 MET HA . . . 3.8 . . 1.0 . . . . . . . . . . . 4297 1 38 3JHNHA . 1 1 50 50 ALA H . . . . 1 1 50 50 ALA HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4297 1 39 3JHNHA . 1 1 51 51 ARG H . . . . 1 1 51 51 ARG HA . . . 4.5 . . 1.0 . . . . . . . . . . . 4297 1 40 3JHNHA . 1 1 52 52 LEU H . . . . 1 1 52 52 LEU HA . . . 4.5 . . 1.0 . . . . . . . . . . . 4297 1 41 3JHNHA . 1 1 53 53 GLN H . . . . 1 1 53 53 GLN HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4297 1 42 3JHNHA . 1 1 54 54 GLU H . . . . 1 1 54 54 GLU HA . . . 4.7 . . 1.0 . . . . . . . . . . . 4297 1 43 3JHNHA . 1 1 55 55 SER H . . . . 1 1 55 55 SER HA . . . 8.9 . . 1.0 . . . . . . . . . . . 4297 1 44 3JHNHA . 1 1 57 57 SER H . . . . 1 1 57 57 SER HA . . . 8.0 . . 1.0 . . . . . . . . . . . 4297 1 45 3JHNHA . 1 1 59 59 ILE H . . . . 1 1 59 59 ILE HA . . . 10.0 . . 1.0 . . . . . . . . . . . 4297 1 46 3JHNHA . 1 1 60 60 ASP H . . . . 1 1 60 60 ASP HA . . . 5.6 . . 1.0 . . . . . . . . . . . 4297 1 47 3JHNHA . 1 1 61 61 LEU H . . . . 1 1 61 61 LEU HA . . . 2.1 . . 1.0 . . . . . . . . . . . 4297 1 48 3JHNHA . 1 1 62 62 ILE H . . . . 1 1 62 62 ILE HA . . . 6.3 . . 1.0 . . . . . . . . . . . 4297 1 49 3JHNHA . 1 1 64 64 LEU H . . . . 1 1 64 64 LEU HA . . . 3.9 . . 1.0 . . . . . . . . . . . 4297 1 50 3JHNHA . 1 1 65 65 ALA H . . . . 1 1 65 65 ALA HA . . . 4.3 . . 1.0 . . . . . . . . . . . 4297 1 51 3JHNHA . 1 1 66 66 GLU H . . . . 1 1 66 66 GLU HA . . . 3.9 . . 1.0 . . . . . . . . . . . 4297 1 52 3JHNHA . 1 1 67 67 SER H . . . . 1 1 67 67 SER HA . . . 4.7 . . 1.0 . . . . . . . . . . . 4297 1 53 3JHNHA . 1 1 68 68 LEU H . . . . 1 1 68 68 LEU HA . . . 4.6 . . 1.0 . . . . . . . . . . . 4297 1 54 3JHNHA . 1 1 69 69 GLU H . . . . 1 1 69 69 GLU HA . . . 3.9 . . 1.0 . . . . . . . . . . . 4297 1 55 3JHNHA . 1 1 70 70 ARG H . . . . 1 1 70 70 ARG HA . . . 4.5 . . 1.0 . . . . . . . . . . . 4297 1 56 3JHNHA . 1 1 71 71 GLN H . . . . 1 1 71 71 GLN HA . . . 7.7 . . 1.0 . . . . . . . . . . . 4297 1 57 3JHNHA . 1 1 73 73 GLN H . . . . 1 1 73 73 GLN HA . . . 9.7 . . 1.0 . . . . . . . . . . . 4297 1 58 3JHNHA . 1 1 74 74 LEU H . . . . 1 1 74 74 LEU HA . . . 5.2 . . 1.0 . . . . . . . . . . . 4297 1 59 3JHNHA . 1 1 75 75 ASP H . . . . 1 1 75 75 ASP HA . . . 4.8 . . 3.0 . . . . . . . . . . . 4297 1 60 3JHNHA . 1 1 77 77 VAL H . . . . 1 1 77 77 VAL HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4297 1 61 3JHNHA . 1 1 82 82 TYR H . . . . 1 1 82 82 TYR HA . . . 6.5 . . 1.0 . . . . . . . . . . . 4297 1 62 3JHNHA . 1 1 83 83 LEU H . . . . 1 1 83 83 LEU HA . . . 5.2 . . 1.0 . . . . . . . . . . . 4297 1 63 3JHNHA . 1 1 84 84 ALA H . . . . 1 1 84 84 ALA HA . . . 4.1 . . 1.0 . . . . . . . . . . . 4297 1 64 3JHNHA . 1 1 85 85 GLU H . . . . 1 1 85 85 GLU HA . . . 5.3 . . 1.0 . . . . . . . . . . . 4297 1 65 3JHNHA . 1 1 86 86 LEU H . . . . 1 1 86 86 LEU HA . . . 4.2 . . 3.0 . . . . . . . . . . . 4297 1 66 3JHNHA . 1 1 87 87 SER H . . . . 1 1 87 87 SER HA . . . 5.0 . . 1.0 . . . . . . . . . . . 4297 1 67 3JHNHA . 1 1 88 88 LYS H . . . . 1 1 88 88 LYS HA . . . 6.1 . . 1.0 . . . . . . . . . . . 4297 1 68 3JHNHA . 1 1 89 89 ASN H . . . . 1 1 89 89 ASN HA . . . 8.1 . . 1.0 . . . . . . . . . . . 4297 1 69 3JHNHA . 1 1 90 90 THR H . . . . 1 1 90 90 THR HA . . . 8.4 . . 1.0 . . . . . . . . . . . 4297 1 70 3JHNHA . 1 1 97 97 SER H . . . . 1 1 97 97 SER HA . . . 3.8 . . 1.0 . . . . . . . . . . . 4297 1 71 3JHNHA . 1 1 98 98 ALA H . . . . 1 1 98 98 ALA HA . . . 5.4 . . 1.0 . . . . . . . . . . . 4297 1 72 3JHNHA . 1 1 99 99 TYR H . . . . 1 1 99 99 TYR HA . . . 5.8 . . 1.0 . . . . . . . . . . . 4297 1 73 3JHNHA . 1 1 100 100 ALA H . . . . 1 1 100 100 ALA HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4297 1 74 3JHNHA . 1 1 101 101 ASP H . . . . 1 1 101 101 ASP HA . . . 3.8 . . 1.0 . . . . . . . . . . . 4297 1 75 3JHNHA . 1 1 102 102 ILE H . . . . 1 1 102 102 ILE HA . . . 5.1 . . 1.0 . . . . . . . . . . . 4297 1 76 3JHNHA . 1 1 103 103 VAL H . . . . 1 1 103 103 VAL HA . . . 3.6 . . 1.0 . . . . . . . . . . . 4297 1 77 3JHNHA . 1 1 104 104 ARG H . . . . 1 1 104 104 ARG HA . . . 3.7 . . 1.0 . . . . . . . . . . . 4297 1 78 3JHNHA . 1 1 105 105 GLU H . . . . 1 1 105 105 GLU HA . . . 3.5 . . 1.0 . . . . . . . . . . . 4297 1 79 3JHNHA . 1 1 106 106 ARG H . . . . 1 1 106 106 ARG HA . . . 4.8 . . 1.0 . . . . . . . . . . . 4297 1 80 3JHNHA . 1 1 107 107 ALA H . . . . 1 1 107 107 ALA HA . . . 5.2 . . 1.0 . . . . . . . . . . . 4297 1 81 3JHNHA . 1 1 108 108 VAL H . . . . 1 1 108 108 VAL HA . . . 4.0 . . 1.0 . . . . . . . . . . . 4297 1 82 3JHNHA . 1 1 109 109 VAL H . . . . 1 1 109 109 VAL HA . . . 6.2 . . 1.0 . . . . . . . . . . . 4297 1 83 3JHNHA . 1 1 110 110 ARG H . . . . 1 1 110 110 ARG HA . . . 3.3 . . 1.0 . . . . . . . . . . . 4297 1 84 3JHNHA . 1 1 111 111 GLU H . . . . 1 1 111 111 GLU HA . . . 6.3 . . 1.0 . . . . . . . . . . . 4297 1 85 3JHNHA . 1 1 112 112 MET H . . . . 1 1 112 112 MET HA . . . 7.4 . . 1.0 . . . . . . . . . . . 4297 1 86 3JHNHA . 1 1 113 113 ILE H . . . . 1 1 113 113 ILE HA . . . 8.4 . . 1.0 . . . . . . . . . . . 4297 1 87 3JHNHA . 1 1 114 114 SER H . . . . 1 1 114 114 SER HA . . . 8.2 . . 1.0 . . . . . . . . . . . 4297 1 88 3JNHB . 1 1 9 9 GLU N . . . . 1 1 9 9 GLU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 89 3JNHB . 1 1 11 11 GLU N . . . . 1 1 11 11 GLU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 90 3JNHB . 1 1 12 12 GLN N . . . . 1 1 12 12 GLN HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 91 3JNHB . 1 1 13 13 SER N . . . . 1 1 13 13 SER HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 92 3JNHB . 1 1 14 14 VAL N . . . . 1 1 14 14 VAL HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 93 3JNHB . 1 1 15 15 LEU N . . . . 1 1 15 15 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 94 3JNHB . 1 1 18 18 LEU N . . . . 1 1 18 18 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 95 3JNHB . 1 1 19 19 MET N . . . . 1 1 19 19 MET HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 96 3JNHB . 1 1 20 20 LEU N . . . . 1 1 20 20 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 97 3JNHB . 1 1 21 21 ASP N . . . . 1 1 21 21 ASP HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 98 3JNHB . 1 1 21 21 ASP N . . . . 1 1 21 21 ASP HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 99 3JNHB . 1 1 24 24 ARG N . . . . 1 1 24 24 ARG HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 100 3JNHB . 1 1 25 25 TRP N . . . . 1 1 25 25 TRP HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 101 3JNHB . 1 1 25 25 TRP N . . . . 1 1 25 25 TRP HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 102 3JNHB . 1 1 26 26 ASP N . . . . 1 1 26 26 ASP HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 103 3JNHB . 1 1 27 27 ASP N . . . . 1 1 27 27 ASP HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 104 3JNHB . 1 1 28 28 VAL N . . . . 1 1 28 28 VAL HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 105 3JNHB . 1 1 32 32 VAL N . . . . 1 1 32 32 VAL HB . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 106 3JNHB . 1 1 33 33 VAL N . . . . 1 1 33 33 VAL HB . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 107 3JNHB . 1 1 35 35 ASP N . . . . 1 1 35 35 ASP HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 108 3JNHB . 1 1 36 36 ASP N . . . . 1 1 36 36 ASP HB2 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 109 3JNHB . 1 1 37 37 PHE N . . . . 1 1 37 37 PHE HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 110 3JNHB . 1 1 42 42 HIS N . . . . 1 1 42 42 HIS HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 111 3JNHB . 1 1 43 43 ARG N . . . . 1 1 43 43 ARG HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 112 3JNHB . 1 1 45 45 ILE N . . . . 1 1 45 45 ILE HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 113 3JNHB . 1 1 46 46 PHE N . . . . 1 1 46 46 PHE HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 114 3JNHB . 1 1 46 46 PHE N . . . . 1 1 46 46 PHE HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 115 3JNHB . 1 1 47 47 THR N . . . . 1 1 47 47 THR HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 116 3JNHB . 1 1 48 48 GLU N . . . . 1 1 48 48 GLU HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 117 3JNHB . 1 1 48 48 GLU N . . . . 1 1 48 48 GLU HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 118 3JNHB . 1 1 49 49 MET N . . . . 1 1 49 49 MET HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 119 3JNHB . 1 1 52 52 LEU N . . . . 1 1 52 52 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 120 3JNHB . 1 1 53 53 GLN N . . . . 1 1 53 53 GLN HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 121 3JNHB . 1 1 53 53 GLN N . . . . 1 1 53 53 GLN HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 122 3JNHB . 1 1 57 57 SER N . . . . 1 1 57 57 SER HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 123 3JNHB . 1 1 59 59 ILE N . . . . 1 1 59 59 ILE HB . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 124 3JNHB . 1 1 60 60 ASP N . . . . 1 1 60 60 ASP HB2 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 125 3JNHB . 1 1 61 61 LEU N . . . . 1 1 61 61 LEU HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 126 3JNHB . 1 1 61 61 LEU N . . . . 1 1 61 61 LEU HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 127 3JNHB . 1 1 62 62 ILE N . . . . 1 1 62 62 ILE HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 128 3JNHB . 1 1 63 63 THR N . . . . 1 1 63 63 THR HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 129 3JNHB . 1 1 64 64 LEU N . . . . 1 1 64 64 LEU HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 130 3JNHB . 1 1 64 64 LEU N . . . . 1 1 64 64 LEU HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 131 3JNHB . 1 1 66 66 GLU N . . . . 1 1 66 66 GLU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 132 3JNHB . 1 1 67 67 SER N . . . . 1 1 67 67 SER HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 133 3JNHB . 1 1 67 67 SER N . . . . 1 1 67 67 SER HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 134 3JNHB . 1 1 68 68 LEU N . . . . 1 1 68 68 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 135 3JNHB . 1 1 70 70 ARG N . . . . 1 1 70 70 ARG HB2 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 136 3JNHB . 1 1 71 71 GLN N . . . . 1 1 71 71 GLN HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 137 3JNHB . 1 1 73 73 GLN N . . . . 1 1 73 73 GLN HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 138 3JNHB . 1 1 74 74 LEU N . . . . 1 1 74 74 LEU HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 139 3JNHB . 1 1 74 74 LEU N . . . . 1 1 74 74 LEU HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 140 3JNHB . 1 1 77 77 VAL N . . . . 1 1 77 77 VAL HB . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 141 3JNHB . 1 1 82 82 TYR N . . . . 1 1 82 82 TYR HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 142 3JNHB . 1 1 82 82 TYR N . . . . 1 1 82 82 TYR HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 143 3JNHB . 1 1 83 83 LEU N . . . . 1 1 83 83 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 144 3JNHB . 1 1 86 86 LEU N . . . . 1 1 86 86 LEU HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 145 3JNHB . 1 1 90 90 THR N . . . . 1 1 90 90 THR HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 146 3JNHB . 1 1 96 96 ILE N . . . . 1 1 96 96 ILE HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 147 3JNHB . 1 1 99 99 TYR N . . . . 1 1 99 99 TYR HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 148 3JNHB . 1 1 101 101 ASP N . . . . 1 1 101 101 ASP HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 149 3JNHB . 1 1 102 102 ILE N . . . . 1 1 102 102 ILE HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 150 3JNHB . 1 1 103 103 VAL N . . . . 1 1 103 103 VAL HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 151 3JNHB . 1 1 104 104 ARG N . . . . 1 1 104 104 ARG HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 152 3JNHB . 1 1 104 104 ARG N . . . . 1 1 104 104 ARG HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 153 3JNHB . 1 1 105 105 GLU N . . . . 1 1 105 105 GLU HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 154 3JNHB . 1 1 105 105 GLU N . . . . 1 1 105 105 GLU HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 155 3JNHB . 1 1 106 106 ARG N . . . . 1 1 106 106 ARG HB3 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 156 3JNHB . 1 1 108 108 VAL N . . . . 1 1 108 108 VAL HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 157 3JNHB . 1 1 109 109 VAL N . . . . 1 1 109 109 VAL HB . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 158 3JNHB . 1 1 110 110 ARG N . . . . 1 1 110 110 ARG HB2 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 159 3JNHB . 1 1 110 110 ARG N . . . . 1 1 110 110 ARG HB3 . . . . . -0.5 2.0 . . . . . . . . . . . 4297 1 160 3JNHB . 1 1 111 111 GLU N . . . . 1 1 111 111 GLU HB2 . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 161 3JNHB . 1 1 113 113 ILE N . . . . 1 1 113 113 ILE HB . . . . -5.0 . 2.0 . . . . . . . . . . . 4297 1 162 3JHAHB . 1 1 13 13 SER HA . . . . 1 1 13 13 SER HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 163 3JHAHB . 1 1 15 15 LEU HA . . . . 1 1 15 15 LEU HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 164 3JHAHB . 1 1 19 19 MET HA . . . . 1 1 19 19 MET HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 165 3JHAHB . 1 1 21 21 ASP HA . . . . 1 1 21 21 ASP HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 166 3JHAHB . 1 1 24 24 ARG HA . . . . 1 1 24 24 ARG HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 167 3JHAHB . 1 1 25 25 TRP HA . . . . 1 1 25 25 TRP HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 168 3JHAHB . 1 1 26 26 ASP HA . . . . 1 1 26 26 ASP HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 169 3JHAHB . 1 1 35 35 ASP HA . . . . 1 1 35 35 ASP HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 170 3JHAHB . 1 1 36 36 ASP HA . . . . 1 1 36 36 ASP HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 171 3JHAHB . 1 1 37 37 PHE HA . . . . 1 1 37 37 PHE HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 172 3JHAHB . 1 1 42 42 HIS HA . . . . 1 1 42 42 HIS HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 173 3JHAHB . 1 1 46 46 PHE HA . . . . 1 1 46 46 PHE HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 174 3JHAHB . 1 1 48 48 GLU HA . . . . 1 1 48 48 GLU HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 175 3JHAHB . 1 1 49 49 MET HA . . . . 1 1 49 49 MET HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 176 3JHAHB . 1 1 52 52 LEU HA . . . . 1 1 52 52 LEU HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 177 3JHAHB . 1 1 57 57 SER HA . . . . 1 1 57 57 SER HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 178 3JHAHB . 1 1 61 61 LEU HA . . . . 1 1 61 61 LEU HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 179 3JHAHB . 1 1 64 64 LEU HA . . . . 1 1 64 64 LEU HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 180 3JHAHB . 1 1 68 68 LEU HA . . . . 1 1 68 68 LEU HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 181 3JHAHB . 1 1 71 71 GLN HA . . . . 1 1 71 71 GLN HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 182 3JHAHB . 1 1 73 73 GLN HA . . . . 1 1 73 73 GLN HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 183 3JHAHB . 1 1 74 74 LEU HA . . . . 1 1 74 74 LEU HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 184 3JHAHB . 1 1 80 80 PHE HA . . . . 1 1 80 80 PHE HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 185 3JHAHB . 1 1 82 82 TYR HA . . . . 1 1 82 82 TYR HB3 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 186 3JHAHB . 1 1 83 83 LEU HA . . . . 1 1 83 83 LEU HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 187 3JHAHB . 1 1 86 86 LEU HA . . . . 1 1 86 86 LEU HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 188 3JHAHB . 1 1 99 99 TYR HA . . . . 1 1 99 99 TYR HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 189 3JHAHB . 1 1 101 101 ASP HA . . . . 1 1 101 101 ASP HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 190 3JHAHB . 1 1 106 106 ARG HA . . . . 1 1 106 106 ARG HB2 . . . . 11.0 . 2.0 . . . . . . . . . . . 4297 1 stop_ save_