data_4254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4254 _Entry.Title ; 1H, 15N and 13C Assignments of the DNA Binding Domain of Transcription Factor Mbp1 from Sassharomyces cerevisiae in Both Its Free and DNA Bound Forms and 1H Assignments of the Free DNA ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-10-27 _Entry.Accession_date 1998-10-27 _Entry.Last_release_date 1999-10-26 _Entry.Original_release_date 1999-10-26 _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 Pauline McIntosh . B . 4254 2 Ian Taylor . A . 4254 3 Steven Smerdon . J . 4254 4 Thomas Frenkiel . A . 4254 5 Andrew Lane . N . 4254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 4254 '15N chemical shifts' 126 4254 '1H chemical shifts' 488 4254 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 . . 1999-10-26 1998-10-27 original author . 4254 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4254 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99281467 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; McIntosh, P.B., Taylor, I.A., Smerdon, S.J., Frenkiel, T.A., and Lane, A.N., "1H, 15N and 13C Assignments of the DNA Binding Domain of Transcription Factor Mbp1 from Saccharomyces cerevisiae in Both Its Free and DNA Bound Forms and 1H Assignments of the Free DNA", J. Biomol. NMR, 13(4), 397-398,(1999). ; _Citation.Title ; 1H, 15N and 13C Assignments of the DNA Binding Domain of Transcription Factor Mbp1 from Saccharomyces cerevisiae in Both Its Free and DNA Bound Forms and 1H Assignments of the Fee DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue 4 _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 397 _Citation.Page_last 398 _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 Pauline McIntosh . B . 4254 1 2 Ian Taylor . A . 4254 1 3 Steven Smerdon . J . 4254 1 4 Thomas Frenkiel . A . 4254 1 5 Andrew Lane . N . 4254 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cell_cycle 4254 1 MBp1 4254 1 NMR_assignments 4254 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4254 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'D S' Wishart D. S. . 4254 2 2 'C G' Bigam C. G. . 4254 2 3 J Yao J. . . 4254 2 4 F Abildgaard F. . . 4254 2 5 'H J' Dyson H. J. . 4254 2 6 E Oldfield E. . . 4254 2 7 'J L' Markley J. L. . 4254 2 8 'B D' Sykes B. D. . 4254 2 stop_ save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4254 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels, C., Xia, T., Guntert, P., Billeter, M. & Wuthrich,K. The Program Xeasy for Computer-Supported NMR Spectral Analysis. J. Biomol. NMR 5, 1-10 (1995). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mbp1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mbp1 _Assembly.Entry_ID 4254 _Assembly.ID 1 _Assembly.Name Mbp1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4254 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 Mbp1 1 $Mbp1 . . . native . . . . . 4254 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BM8 . 'Dna-Binding Domain Of Mbp1' . . . . 4254 1 yes PDB 1MB1 . 'Mbp1 From Saccharomyces Cerevisiae' . . . . 4254 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Mbp1 abbreviation 4254 1 Mbp1 system 4254 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription factor' 4254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mbp1 _Entity.Sf_category entity _Entity.Sf_framecode Mbp1 _Entity.Entry_ID 4254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MLU1-BOX binding protein' _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 ; SNQIYSARYSGVDVYEFIHS TGSIMKRKKDDWVNATHILK AANFAKAKRTRILEKEVLKE THEKVQGGFGKYQGTWVPLN IAKQLAEKFSVYDQLKPLFD FTQTDGSASPPPAPKHHHAS KVDKLAAALEHHHHH ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15436.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Residue Methionine 1 present in the crystal structure described in the above database entry is absent from the construct studied by NMR and described in this deposition. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4256 . "MLU1-BOX binding protein" . . . . . 100.00 135 100.00 100.00 7.40e-94 . . . . 4254 1 2 no PDB 1BM8 . "Dna-Binding Domain Of Mbp1" . . . . . 73.33 99 100.00 100.00 9.19e-66 . . . . 4254 1 3 no PDB 1L3G . "Nmr Structure Of The Dna-Binding Domain Of Cell Cycle Protein, Mbp1(2-124) From Saccharomyces Cerevisiae" . . . . . 99.26 136 100.00 100.00 5.84e-93 . . . . 4254 1 4 no DBJ GAA22190 . "K7_Mbp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.85 833 98.39 100.00 3.74e-80 . . . . 4254 1 5 no EMBL CAA52271 . "mbp1 transcription factor [Saccharomyces cerevisiae]" . . . . . 91.85 833 99.19 100.00 6.71e-81 . . . . 4254 1 6 no EMBL CAA98618 . "MBP1 [Saccharomyces cerevisiae]" . . . . . 91.85 833 99.19 100.00 6.71e-81 . . . . 4254 1 7 no EMBL CAY78452 . "Mbp1p [Saccharomyces cerevisiae EC1118]" . . . . . 91.85 833 98.39 99.19 8.63e-80 . . . . 4254 1 8 no GB AAS64332 . "transcription factor MBP1, partial [Saccharomyces cerevisiae]" . . . . . 94.07 314 97.64 98.43 1.82e-85 . . . . 4254 1 9 no GB AAS64333 . "transcription factor MBP1, partial [Saccharomyces cerevisiae]" . . . . . 94.07 314 97.64 98.43 1.71e-85 . . . . 4254 1 10 no GB AAS64335 . "transcription factor MBP1, partial [Saccharomyces cerevisiae]" . . . . . 94.07 314 97.64 98.43 1.71e-85 . . . . 4254 1 11 no GB AAS64336 . "transcription factor MBP1, partial [Saccharomyces cerevisiae]" . . . . . 94.07 314 97.64 98.43 1.71e-85 . . . . 4254 1 12 no GB AAS64338 . "transcription factor MBP1, partial [Saccharomyces cerevisiae]" . . . . . 94.07 314 97.64 98.43 1.82e-85 . . . . 4254 1 13 no REF NP_010227 . "transcription factor MBP1 [Saccharomyces cerevisiae S288c]" . . . . . 91.85 833 99.19 100.00 6.71e-81 . . . . 4254 1 14 no SP P39678 . "RecName: Full=Transcription factor MBP1; AltName: Full=MBF subunit p120" . . . . . 91.85 833 99.19 100.00 6.71e-81 . . . . 4254 1 15 no TPG DAA11800 . "TPA: transcription factor MBP1 [Saccharomyces cerevisiae S288c]" . . . . . 91.85 833 99.19 100.00 6.71e-81 . . . . 4254 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MLU1-BOX binding protein' common 4254 1 Mpb1 abbreviation 4254 1 Mpb1 variant 4254 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 2 SER . 4254 1 2 3 ASN . 4254 1 3 4 GLN . 4254 1 4 5 ILE . 4254 1 5 6 TYR . 4254 1 6 7 SER . 4254 1 7 8 ALA . 4254 1 8 9 ARG . 4254 1 9 10 TYR . 4254 1 10 11 SER . 4254 1 11 12 GLY . 4254 1 12 13 VAL . 4254 1 13 14 ASP . 4254 1 14 15 VAL . 4254 1 15 16 TYR . 4254 1 16 17 GLU . 4254 1 17 18 PHE . 4254 1 18 19 ILE . 4254 1 19 20 HIS . 4254 1 20 21 SER . 4254 1 21 22 THR . 4254 1 22 23 GLY . 4254 1 23 24 SER . 4254 1 24 25 ILE . 4254 1 25 26 MET . 4254 1 26 27 LYS . 4254 1 27 28 ARG . 4254 1 28 29 LYS . 4254 1 29 30 LYS . 4254 1 30 31 ASP . 4254 1 31 32 ASP . 4254 1 32 33 TRP . 4254 1 33 34 VAL . 4254 1 34 35 ASN . 4254 1 35 36 ALA . 4254 1 36 37 THR . 4254 1 37 38 HIS . 4254 1 38 39 ILE . 4254 1 39 40 LEU . 4254 1 40 41 LYS . 4254 1 41 42 ALA . 4254 1 42 43 ALA . 4254 1 43 44 ASN . 4254 1 44 45 PHE . 4254 1 45 46 ALA . 4254 1 46 47 LYS . 4254 1 47 48 ALA . 4254 1 48 49 LYS . 4254 1 49 50 ARG . 4254 1 50 51 THR . 4254 1 51 52 ARG . 4254 1 52 53 ILE . 4254 1 53 54 LEU . 4254 1 54 55 GLU . 4254 1 55 56 LYS . 4254 1 56 57 GLU . 4254 1 57 58 VAL . 4254 1 58 59 LEU . 4254 1 59 60 LYS . 4254 1 60 61 GLU . 4254 1 61 62 THR . 4254 1 62 63 HIS . 4254 1 63 64 GLU . 4254 1 64 65 LYS . 4254 1 65 66 VAL . 4254 1 66 67 GLN . 4254 1 67 68 GLY . 4254 1 68 69 GLY . 4254 1 69 70 PHE . 4254 1 70 71 GLY . 4254 1 71 72 LYS . 4254 1 72 73 TYR . 4254 1 73 74 GLN . 4254 1 74 75 GLY . 4254 1 75 76 THR . 4254 1 76 77 TRP . 4254 1 77 78 VAL . 4254 1 78 79 PRO . 4254 1 79 80 LEU . 4254 1 80 81 ASN . 4254 1 81 82 ILE . 4254 1 82 83 ALA . 4254 1 83 84 LYS . 4254 1 84 85 GLN . 4254 1 85 86 LEU . 4254 1 86 87 ALA . 4254 1 87 88 GLU . 4254 1 88 89 LYS . 4254 1 89 90 PHE . 4254 1 90 91 SER . 4254 1 91 92 VAL . 4254 1 92 93 TYR . 4254 1 93 94 ASP . 4254 1 94 95 GLN . 4254 1 95 96 LEU . 4254 1 96 97 LYS . 4254 1 97 98 PRO . 4254 1 98 99 LEU . 4254 1 99 100 PHE . 4254 1 100 101 ASP . 4254 1 101 102 PHE . 4254 1 102 103 THR . 4254 1 103 104 GLN . 4254 1 104 105 THR . 4254 1 105 106 ASP . 4254 1 106 107 GLY . 4254 1 107 108 SER . 4254 1 108 109 ALA . 4254 1 109 110 SER . 4254 1 110 111 PRO . 4254 1 111 112 PRO . 4254 1 112 113 PRO . 4254 1 113 114 ALA . 4254 1 114 115 PRO . 4254 1 115 116 LYS . 4254 1 116 117 HIS . 4254 1 117 118 HIS . 4254 1 118 119 HIS . 4254 1 119 120 ALA . 4254 1 120 121 SER . 4254 1 121 122 LYS . 4254 1 122 123 VAL . 4254 1 123 124 ASP . 4254 1 124 125 LYS . 4254 1 125 126 LEU . 4254 1 126 127 ALA . 4254 1 127 128 ALA . 4254 1 128 129 ALA . 4254 1 129 130 LEU . 4254 1 130 131 GLU . 4254 1 131 132 HIS . 4254 1 132 133 HIS . 4254 1 133 134 HIS . 4254 1 134 135 HIS . 4254 1 135 136 HIS . 4254 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 . SER 1 1 4254 1 . ASN 2 2 4254 1 . GLN 3 3 4254 1 . ILE 4 4 4254 1 . TYR 5 5 4254 1 . SER 6 6 4254 1 . ALA 7 7 4254 1 . ARG 8 8 4254 1 . TYR 9 9 4254 1 . SER 10 10 4254 1 . GLY 11 11 4254 1 . VAL 12 12 4254 1 . ASP 13 13 4254 1 . VAL 14 14 4254 1 . TYR 15 15 4254 1 . GLU 16 16 4254 1 . PHE 17 17 4254 1 . ILE 18 18 4254 1 . HIS 19 19 4254 1 . SER 20 20 4254 1 . THR 21 21 4254 1 . GLY 22 22 4254 1 . SER 23 23 4254 1 . ILE 24 24 4254 1 . MET 25 25 4254 1 . LYS 26 26 4254 1 . ARG 27 27 4254 1 . LYS 28 28 4254 1 . LYS 29 29 4254 1 . ASP 30 30 4254 1 . ASP 31 31 4254 1 . TRP 32 32 4254 1 . VAL 33 33 4254 1 . ASN 34 34 4254 1 . ALA 35 35 4254 1 . THR 36 36 4254 1 . HIS 37 37 4254 1 . ILE 38 38 4254 1 . LEU 39 39 4254 1 . LYS 40 40 4254 1 . ALA 41 41 4254 1 . ALA 42 42 4254 1 . ASN 43 43 4254 1 . PHE 44 44 4254 1 . ALA 45 45 4254 1 . LYS 46 46 4254 1 . ALA 47 47 4254 1 . LYS 48 48 4254 1 . ARG 49 49 4254 1 . THR 50 50 4254 1 . ARG 51 51 4254 1 . ILE 52 52 4254 1 . LEU 53 53 4254 1 . GLU 54 54 4254 1 . LYS 55 55 4254 1 . GLU 56 56 4254 1 . VAL 57 57 4254 1 . LEU 58 58 4254 1 . LYS 59 59 4254 1 . GLU 60 60 4254 1 . THR 61 61 4254 1 . HIS 62 62 4254 1 . GLU 63 63 4254 1 . LYS 64 64 4254 1 . VAL 65 65 4254 1 . GLN 66 66 4254 1 . GLY 67 67 4254 1 . GLY 68 68 4254 1 . PHE 69 69 4254 1 . GLY 70 70 4254 1 . LYS 71 71 4254 1 . TYR 72 72 4254 1 . GLN 73 73 4254 1 . GLY 74 74 4254 1 . THR 75 75 4254 1 . TRP 76 76 4254 1 . VAL 77 77 4254 1 . PRO 78 78 4254 1 . LEU 79 79 4254 1 . ASN 80 80 4254 1 . ILE 81 81 4254 1 . ALA 82 82 4254 1 . LYS 83 83 4254 1 . GLN 84 84 4254 1 . LEU 85 85 4254 1 . ALA 86 86 4254 1 . GLU 87 87 4254 1 . LYS 88 88 4254 1 . PHE 89 89 4254 1 . SER 90 90 4254 1 . VAL 91 91 4254 1 . TYR 92 92 4254 1 . ASP 93 93 4254 1 . GLN 94 94 4254 1 . LEU 95 95 4254 1 . LYS 96 96 4254 1 . PRO 97 97 4254 1 . LEU 98 98 4254 1 . PHE 99 99 4254 1 . ASP 100 100 4254 1 . PHE 101 101 4254 1 . THR 102 102 4254 1 . GLN 103 103 4254 1 . THR 104 104 4254 1 . ASP 105 105 4254 1 . GLY 106 106 4254 1 . SER 107 107 4254 1 . ALA 108 108 4254 1 . SER 109 109 4254 1 . PRO 110 110 4254 1 . PRO 111 111 4254 1 . PRO 112 112 4254 1 . ALA 113 113 4254 1 . PRO 114 114 4254 1 . LYS 115 115 4254 1 . HIS 116 116 4254 1 . HIS 117 117 4254 1 . HIS 118 118 4254 1 . ALA 119 119 4254 1 . SER 120 120 4254 1 . LYS 121 121 4254 1 . VAL 122 122 4254 1 . ASP 123 123 4254 1 . LYS 124 124 4254 1 . LEU 125 125 4254 1 . ALA 126 126 4254 1 . ALA 127 127 4254 1 . ALA 128 128 4254 1 . LEU 129 129 4254 1 . GLU 130 130 4254 1 . HIS 131 131 4254 1 . HIS 132 132 4254 1 . HIS 133 133 4254 1 . HIS 134 134 4254 1 . HIS 135 135 4254 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 4254 _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 $Mbp1 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae Bl21/De3 . . . . . . . . nucleus . . . . . . . . . . . 4254 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 4254 _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 $Mbp1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . plasmid . . pET22B . . . . . . 4254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4254 _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 'MLU1-BOX binding protein' [U-15N] . . 1 $Mbp1 . . . 0.8 1.3 mM . . . . 4254 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4254 _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 'MLU1-BOX binding protein' [U-15N;U-13C] . . 1 $Mbp1 . . . 0.8 1.3 mM . . . . 4254 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4254 _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 'MLU1-BOX binding protein' . . . 1 $Mbp1 . . . 0.8 1.3 mM . . . . 4254 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4254 _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 7.6 0.2 n/a 4254 1 temperature 288 1.0 K 4254 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 4254 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4254 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4254 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4254 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 2 $citation_one . . . . 4254 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4254 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4254 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4254 1 . . 2 $sample_two . 4254 1 . . 3 $sample_three . 4254 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 ASN CA C 13 53.208 . . 1 . . . . . . . . 4254 1 2 . 1 1 2 2 ASN CB C 13 38.721 . . 1 . . . . . . . . 4254 1 3 . 1 1 2 2 ASN HD21 H 1 7.669 . . 1 . . . . . . . . 4254 1 4 . 1 1 2 2 ASN HD22 H 1 7.012 . . 1 . . . . . . . . 4254 1 5 . 1 1 2 2 ASN ND2 N 15 113.523 . . 1 . . . . . . . . 4254 1 6 . 1 1 3 3 GLN CA C 13 55.74 . . 1 . . . . . . . . 4254 1 7 . 1 1 3 3 GLN CB C 13 29.611 . . 1 . . . . . . . . 4254 1 8 . 1 1 3 3 GLN CG C 13 33.811 . . 1 . . . . . . . . 4254 1 9 . 1 1 3 3 GLN H H 1 8.452 . . 1 . . . . . . . . 4254 1 10 . 1 1 3 3 GLN HA H 1 4.135 . . 1 . . . . . . . . 4254 1 11 . 1 1 3 3 GLN HB2 H 1 2.133 . . 1 . . . . . . . . 4254 1 12 . 1 1 3 3 GLN HB3 H 1 1.937 . . 1 . . . . . . . . 4254 1 13 . 1 1 3 3 GLN HE21 H 1 7.518 . . 1 . . . . . . . . 4254 1 14 . 1 1 3 3 GLN HE22 H 1 6.983 . . 1 . . . . . . . . 4254 1 15 . 1 1 3 3 GLN HG2 H 1 2.754 . . 1 . . . . . . . . 4254 1 16 . 1 1 3 3 GLN HG3 H 1 2.754 . . 1 . . . . . . . . 4254 1 17 . 1 1 3 3 GLN N N 15 119.773 . . 1 . . . . . . . . 4254 1 18 . 1 1 3 3 GLN NE2 N 15 113.411 . . 1 . . . . . . . . 4254 1 19 . 1 1 4 4 ILE CA C 13 59.413 . . 1 . . . . . . . . 4254 1 20 . 1 1 4 4 ILE CB C 13 38.23 . . 1 . . . . . . . . 4254 1 21 . 1 1 4 4 ILE H H 1 7.396 . . 1 . . . . . . . . 4254 1 22 . 1 1 4 4 ILE HA H 1 4.601 . . 1 . . . . . . . . 4254 1 23 . 1 1 4 4 ILE HB H 1 1.923 . . 1 . . . . . . . . 4254 1 24 . 1 1 4 4 ILE HD11 H 1 0.111 . . 1 . . . . . . . . 4254 1 25 . 1 1 4 4 ILE HD12 H 1 0.111 . . 1 . . . . . . . . 4254 1 26 . 1 1 4 4 ILE HD13 H 1 0.111 . . 1 . . . . . . . . 4254 1 27 . 1 1 4 4 ILE HG12 H 1 1.053 . . 1 . . . . . . . . 4254 1 28 . 1 1 4 4 ILE HG13 H 1 1.053 . . 1 . . . . . . . . 4254 1 29 . 1 1 4 4 ILE N N 15 120.876 . . 1 . . . . . . . . 4254 1 30 . 1 1 5 5 TYR CA C 13 56.299 . . 1 . . . . . . . . 4254 1 31 . 1 1 5 5 TYR CB C 13 41.655 . . 1 . . . . . . . . 4254 1 32 . 1 1 5 5 TYR H H 1 8.83 . . 1 . . . . . . . . 4254 1 33 . 1 1 5 5 TYR HA H 1 5.16 . . 1 . . . . . . . . 4254 1 34 . 1 1 5 5 TYR HB2 H 1 3.31 . . 1 . . . . . . . . 4254 1 35 . 1 1 5 5 TYR HB3 H 1 2.685 . . 1 . . . . . . . . 4254 1 36 . 1 1 5 5 TYR N N 15 124.747 . . 1 . . . . . . . . 4254 1 37 . 1 1 6 6 SER CA C 13 58.052 . . 1 . . . . . . . . 4254 1 38 . 1 1 6 6 SER CB C 13 64.741 . . 1 . . . . . . . . 4254 1 39 . 1 1 6 6 SER H H 1 8.877 . . 1 . . . . . . . . 4254 1 40 . 1 1 6 6 SER HA H 1 5.24 . . 1 . . . . . . . . 4254 1 41 . 1 1 6 6 SER HB2 H 1 3.855 . . 1 . . . . . . . . 4254 1 42 . 1 1 6 6 SER HB3 H 1 3.855 . . 1 . . . . . . . . 4254 1 43 . 1 1 6 6 SER N N 15 116.423 . . 1 . . . . . . . . 4254 1 44 . 1 1 7 7 ALA CA C 13 51.529 . . 1 . . . . . . . . 4254 1 45 . 1 1 7 7 ALA CB C 13 23.813 . . 1 . . . . . . . . 4254 1 46 . 1 1 7 7 ALA H H 1 8.774 . . 1 . . . . . . . . 4254 1 47 . 1 1 7 7 ALA HA H 1 4.528 . . 1 . . . . . . . . 4254 1 48 . 1 1 7 7 ALA HB1 H 1 1.303 . . 1 . . . . . . . . 4254 1 49 . 1 1 7 7 ALA HB2 H 1 1.303 . . 1 . . . . . . . . 4254 1 50 . 1 1 7 7 ALA HB3 H 1 1.303 . . 1 . . . . . . . . 4254 1 51 . 1 1 7 7 ALA N N 15 125.857 . . 1 . . . . . . . . 4254 1 52 . 1 1 8 8 ARG CA C 13 55.246 . . 1 . . . . . . . . 4254 1 53 . 1 1 8 8 ARG CB C 13 32.802 . . 1 . . . . . . . . 4254 1 54 . 1 1 8 8 ARG H H 1 7.922 . . 1 . . . . . . . . 4254 1 55 . 1 1 8 8 ARG HA H 1 5.082 . . 1 . . . . . . . . 4254 1 56 . 1 1 8 8 ARG HB2 H 1 1.561 . . 1 . . . . . . . . 4254 1 57 . 1 1 8 8 ARG HB3 H 1 1.352 . . 1 . . . . . . . . 4254 1 58 . 1 1 8 8 ARG HG2 H 1 1.073 . . 1 . . . . . . . . 4254 1 59 . 1 1 8 8 ARG HG3 H 1 1.073 . . 1 . . . . . . . . 4254 1 60 . 1 1 8 8 ARG N N 15 121.695 . . 1 . . . . . . . . 4254 1 61 . 1 1 10 10 SER CA C 13 58.257 . . 1 . . . . . . . . 4254 1 62 . 1 1 10 10 SER CB C 13 61.88 . . 1 . . . . . . . . 4254 1 63 . 1 1 11 11 GLY CA C 13 44.717 . . 1 . . . . . . . . 4254 1 64 . 1 1 11 11 GLY H H 1 8.502 . . 1 . . . . . . . . 4254 1 65 . 1 1 11 11 GLY HA2 H 1 4.008 . . 1 . . . . . . . . 4254 1 66 . 1 1 11 11 GLY HA3 H 1 3.341 . . 1 . . . . . . . . 4254 1 67 . 1 1 11 11 GLY N N 15 103.406 . . 1 . . . . . . . . 4254 1 68 . 1 1 12 12 VAL CA C 13 61.931 . . 1 . . . . . . . . 4254 1 69 . 1 1 12 12 VAL CB C 13 33.015 . . 1 . . . . . . . . 4254 1 70 . 1 1 12 12 VAL H H 1 7.934 . . 1 . . . . . . . . 4254 1 71 . 1 1 12 12 VAL HA H 1 3.905 . . 1 . . . . . . . . 4254 1 72 . 1 1 12 12 VAL HB H 1 2.046 . . 1 . . . . . . . . 4254 1 73 . 1 1 12 12 VAL HG11 H 1 0.779 . . 1 . . . . . . . . 4254 1 74 . 1 1 12 12 VAL HG12 H 1 0.779 . . 1 . . . . . . . . 4254 1 75 . 1 1 12 12 VAL HG13 H 1 0.779 . . 1 . . . . . . . . 4254 1 76 . 1 1 12 12 VAL HG21 H 1 0.612 . . 1 . . . . . . . . 4254 1 77 . 1 1 12 12 VAL HG22 H 1 0.612 . . 1 . . . . . . . . 4254 1 78 . 1 1 12 12 VAL HG23 H 1 0.612 . . 1 . . . . . . . . 4254 1 79 . 1 1 12 12 VAL N N 15 122.805 . . 1 . . . . . . . . 4254 1 80 . 1 1 13 13 ASP CA C 13 54.824 . . 1 . . . . . . . . 4254 1 81 . 1 1 13 13 ASP CB C 13 41.741 . . 1 . . . . . . . . 4254 1 82 . 1 1 13 13 ASP H H 1 8.152 . . 1 . . . . . . . . 4254 1 83 . 1 1 13 13 ASP HA H 1 5.128 . . 1 . . . . . . . . 4254 1 84 . 1 1 13 13 ASP HB2 H 1 2.636 . . 1 . . . . . . . . 4254 1 85 . 1 1 13 13 ASP HB3 H 1 2.445 . . 1 . . . . . . . . 4254 1 86 . 1 1 13 13 ASP N N 15 125.857 . . 1 . . . . . . . . 4254 1 87 . 1 1 14 14 VAL CA C 13 58.863 . . 1 . . . . . . . . 4254 1 88 . 1 1 14 14 VAL CB C 13 36.208 . . 1 . . . . . . . . 4254 1 89 . 1 1 14 14 VAL H H 1 9.437 . . 1 . . . . . . . . 4254 1 90 . 1 1 14 14 VAL HA H 1 5.214 . . 1 . . . . . . . . 4254 1 91 . 1 1 14 14 VAL N N 15 117.255 . . 1 . . . . . . . . 4254 1 92 . 1 1 15 15 TYR CA C 13 55.789 . . 1 . . . . . . . . 4254 1 93 . 1 1 15 15 TYR CB C 13 39.606 . . 1 . . . . . . . . 4254 1 94 . 1 1 15 15 TYR H H 1 9.665 . . 1 . . . . . . . . 4254 1 95 . 1 1 15 15 TYR HA H 1 5.552 . . 1 . . . . . . . . 4254 1 96 . 1 1 15 15 TYR HB2 H 1 2.801 . . 1 . . . . . . . . 4254 1 97 . 1 1 15 15 TYR HB3 H 1 2.801 . . 1 . . . . . . . . 4254 1 98 . 1 1 15 15 TYR N N 15 120.307 . . 1 . . . . . . . . 4254 1 99 . 1 1 16 16 GLU CA C 13 55.19 . . 1 . . . . . . . . 4254 1 100 . 1 1 16 16 GLU CB C 13 33.177 . . 1 . . . . . . . . 4254 1 101 . 1 1 16 16 GLU H H 1 9.635 . . 1 . . . . . . . . 4254 1 102 . 1 1 16 16 GLU HA H 1 4.979 . . 1 . . . . . . . . 4254 1 103 . 1 1 16 16 GLU HB2 H 1 1.943 . . 1 . . . . . . . . 4254 1 104 . 1 1 16 16 GLU HB3 H 1 1.943 . . 1 . . . . . . . . 4254 1 105 . 1 1 16 16 GLU N N 15 125.024 . . 1 . . . . . . . . 4254 1 106 . 1 1 17 17 PHE CA C 13 54.3 . . 1 . . . . . . . . 4254 1 107 . 1 1 17 17 PHE CB C 13 42.957 . . 1 . . . . . . . . 4254 1 108 . 1 1 17 17 PHE H H 1 9.353 . . 1 . . . . . . . . 4254 1 109 . 1 1 17 17 PHE HA H 1 5.413 . . 1 . . . . . . . . 4254 1 110 . 1 1 17 17 PHE HB2 H 1 3.144 . . 1 . . . . . . . . 4254 1 111 . 1 1 17 17 PHE HB3 H 1 3.144 . . 1 . . . . . . . . 4254 1 112 . 1 1 17 17 PHE N N 15 127.244 . . 1 . . . . . . . . 4254 1 113 . 1 1 18 18 ILE CA C 13 60.435 . . 1 . . . . . . . . 4254 1 114 . 1 1 18 18 ILE CB C 13 34.965 . . 1 . . . . . . . . 4254 1 115 . 1 1 18 18 ILE H H 1 8.642 . . 1 . . . . . . . . 4254 1 116 . 1 1 18 18 ILE HA H 1 3.955 . . 1 . . . . . . . . 4254 1 117 . 1 1 18 18 ILE HB H 1 1.975 . . 1 . . . . . . . . 4254 1 118 . 1 1 18 18 ILE N N 15 128.354 . . 1 . . . . . . . . 4254 1 119 . 1 1 19 19 HIS CA C 13 55.37 . . 1 . . . . . . . . 4254 1 120 . 1 1 19 19 HIS CB C 13 33.602 . . 1 . . . . . . . . 4254 1 121 . 1 1 19 19 HIS H H 1 7.959 . . 1 . . . . . . . . 4254 1 122 . 1 1 19 19 HIS HA H 1 4.437 . . 1 . . . . . . . . 4254 1 123 . 1 1 19 19 HIS HB2 H 1 3.184 . . 1 . . . . . . . . 4254 1 124 . 1 1 19 19 HIS HB3 H 1 2.735 . . 1 . . . . . . . . 4254 1 125 . 1 1 19 19 HIS N N 15 129.189 . . 1 . . . . . . . . 4254 1 126 . 1 1 20 20 SER CA C 13 61.627 . . 1 . . . . . . . . 4254 1 127 . 1 1 20 20 SER H H 1 7.448 . . 1 . . . . . . . . 4254 1 128 . 1 1 20 20 SER N N 15 120.862 . . 1 . . . . . . . . 4254 1 129 . 1 1 21 21 THR CA C 13 62.56 . . 1 . . . . . . . . 4254 1 130 . 1 1 21 21 THR CB C 13 70.672 . . 1 . . . . . . . . 4254 1 131 . 1 1 21 21 THR H H 1 8.357 . . 1 . . . . . . . . 4254 1 132 . 1 1 21 21 THR HA H 1 4.322 . . 1 . . . . . . . . 4254 1 133 . 1 1 21 21 THR N N 15 111.151 . . 1 . . . . . . . . 4254 1 134 . 1 1 22 22 GLY CA C 13 43.891 . . 1 . . . . . . . . 4254 1 135 . 1 1 22 22 GLY H H 1 7.485 . . 1 . . . . . . . . 4254 1 136 . 1 1 22 22 GLY HA2 H 1 4.53 . . 1 . . . . . . . . 4254 1 137 . 1 1 22 22 GLY HA3 H 1 3.643 . . 1 . . . . . . . . 4254 1 138 . 1 1 22 22 GLY N N 15 110.319 . . 1 . . . . . . . . 4254 1 139 . 1 1 23 23 SER CA C 13 59.401 . . 1 . . . . . . . . 4254 1 140 . 1 1 23 23 SER CB C 13 63.659 . . 1 . . . . . . . . 4254 1 141 . 1 1 23 23 SER H H 1 8.058 . . 1 . . . . . . . . 4254 1 142 . 1 1 23 23 SER HA H 1 4.906 . . 1 . . . . . . . . 4254 1 143 . 1 1 23 23 SER HB2 H 1 3.476 . . 1 . . . . . . . . 4254 1 144 . 1 1 23 23 SER HB3 H 1 3.476 . . 1 . . . . . . . . 4254 1 145 . 1 1 23 23 SER N N 15 114.481 . . 1 . . . . . . . . 4254 1 146 . 1 1 24 24 ILE CA C 13 59.429 . . 1 . . . . . . . . 4254 1 147 . 1 1 24 24 ILE CB C 13 39.232 . . 1 . . . . . . . . 4254 1 148 . 1 1 24 24 ILE H H 1 9.389 . . 1 . . . . . . . . 4254 1 149 . 1 1 24 24 ILE HA H 1 4.672 . . 1 . . . . . . . . 4254 1 150 . 1 1 24 24 ILE N N 15 124.489 . . 1 . . . . . . . . 4254 1 151 . 1 1 25 25 MET CA C 13 55.212 . . 1 . . . . . . . . 4254 1 152 . 1 1 25 25 MET CB C 13 38.453 . . 1 . . . . . . . . 4254 1 153 . 1 1 25 25 MET H H 1 9.37 . . 1 . . . . . . . . 4254 1 154 . 1 1 25 25 MET HA H 1 6.01 . . 1 . . . . . . . . 4254 1 155 . 1 1 25 25 MET HB2 H 1 2.228 . . 1 . . . . . . . . 4254 1 156 . 1 1 25 25 MET HB3 H 1 2.228 . . 1 . . . . . . . . 4254 1 157 . 1 1 25 25 MET N N 15 126.134 . . 1 . . . . . . . . 4254 1 158 . 1 1 26 26 LYS CA C 13 54.224 . . 1 . . . . . . . . 4254 1 159 . 1 1 26 26 LYS CB C 13 38.19 . . 1 . . . . . . . . 4254 1 160 . 1 1 26 26 LYS H H 1 9.002 . . 1 . . . . . . . . 4254 1 161 . 1 1 26 26 LYS HA H 1 5.691 . . 1 . . . . . . . . 4254 1 162 . 1 1 26 26 LYS N N 15 119.752 . . 1 . . . . . . . . 4254 1 163 . 1 1 27 27 ARG CA C 13 58.65 . . 1 . . . . . . . . 4254 1 164 . 1 1 27 27 ARG CB C 13 32.91 . . 1 . . . . . . . . 4254 1 165 . 1 1 27 27 ARG H H 1 10.504 . . 1 . . . . . . . . 4254 1 166 . 1 1 27 27 ARG HA H 1 4.56 . . 1 . . . . . . . . 4254 1 167 . 1 1 27 27 ARG N N 15 127.934 . . 1 . . . . . . . . 4254 1 168 . 1 1 28 28 LYS CA C 13 59.423 . . 1 . . . . . . . . 4254 1 169 . 1 1 28 28 LYS CB C 13 33.05 . . 1 . . . . . . . . 4254 1 170 . 1 1 28 28 LYS H H 1 7.991 . . 1 . . . . . . . . 4254 1 171 . 1 1 28 28 LYS HA H 1 4.112 . . 1 . . . . . . . . 4254 1 172 . 1 1 28 28 LYS HB2 H 1 1.664 . . 1 . . . . . . . . 4254 1 173 . 1 1 28 28 LYS HB3 H 1 1.397 . . 1 . . . . . . . . 4254 1 174 . 1 1 28 28 LYS N N 15 124.211 . . 1 . . . . . . . . 4254 1 175 . 1 1 29 29 LYS CA C 13 59.116 . . 1 . . . . . . . . 4254 1 176 . 1 1 29 29 LYS CB C 13 32.339 . . 1 . . . . . . . . 4254 1 177 . 1 1 29 29 LYS H H 1 9.371 . . 1 . . . . . . . . 4254 1 178 . 1 1 29 29 LYS HA H 1 4.079 . . 1 . . . . . . . . 4254 1 179 . 1 1 29 29 LYS HB2 H 1 1.935 . . 1 . . . . . . . . 4254 1 180 . 1 1 29 29 LYS HB3 H 1 1.601 . . 1 . . . . . . . . 4254 1 181 . 1 1 29 29 LYS N N 15 115.878 . . 1 . . . . . . . . 4254 1 182 . 1 1 30 30 ASP CA C 13 52.458 . . 1 . . . . . . . . 4254 1 183 . 1 1 30 30 ASP CB C 13 41.717 . . 1 . . . . . . . . 4254 1 184 . 1 1 30 30 ASP H H 1 7.073 . . 1 . . . . . . . . 4254 1 185 . 1 1 30 30 ASP HA H 1 4.887 . . 1 . . . . . . . . 4254 1 186 . 1 1 30 30 ASP HB2 H 1 3.162 . . 1 . . . . . . . . 4254 1 187 . 1 1 30 30 ASP HB3 H 1 2.382 . . 1 . . . . . . . . 4254 1 188 . 1 1 30 30 ASP N N 15 112.261 . . 1 . . . . . . . . 4254 1 189 . 1 1 31 31 ASP CA C 13 57.05 . . 1 . . . . . . . . 4254 1 190 . 1 1 31 31 ASP CB C 13 40.35 . . 1 . . . . . . . . 4254 1 191 . 1 1 31 31 ASP H H 1 8.221 . . 1 . . . . . . . . 4254 1 192 . 1 1 31 31 ASP HA H 1 4.839 . . 1 . . . . . . . . 4254 1 193 . 1 1 31 31 ASP HB2 H 1 3.441 . . 1 . . . . . . . . 4254 1 194 . 1 1 31 31 ASP HB3 H 1 3.262 . . 1 . . . . . . . . 4254 1 195 . 1 1 31 31 ASP N N 15 115.868 . . 1 . . . . . . . . 4254 1 196 . 1 1 32 32 TRP CA C 13 59.255 . . 1 . . . . . . . . 4254 1 197 . 1 1 32 32 TRP CB C 13 28.599 . . 1 . . . . . . . . 4254 1 198 . 1 1 32 32 TRP H H 1 8.192 . . 1 . . . . . . . . 4254 1 199 . 1 1 32 32 TRP HA H 1 5.012 . . 1 . . . . . . . . 4254 1 200 . 1 1 32 32 TRP HB2 H 1 3.261 . . 1 . . . . . . . . 4254 1 201 . 1 1 32 32 TRP HB3 H 1 3.053 . . 1 . . . . . . . . 4254 1 202 . 1 1 32 32 TRP HE1 H 1 10.285 . . 1 . . . . . . . . 4254 1 203 . 1 1 32 32 TRP N N 15 116.25 . . 1 . . . . . . . . 4254 1 204 . 1 1 32 32 TRP NE1 N 15 128.714 . . 1 . . . . . . . . 4254 1 205 . 1 1 33 33 VAL CA C 13 60.124 . . 1 . . . . . . . . 4254 1 206 . 1 1 33 33 VAL CB C 13 35.634 . . 1 . . . . . . . . 4254 1 207 . 1 1 33 33 VAL H H 1 9.482 . . 1 . . . . . . . . 4254 1 208 . 1 1 33 33 VAL HA H 1 5.001 . . 1 . . . . . . . . 4254 1 209 . 1 1 33 33 VAL HB H 1 1.579 . . 1 . . . . . . . . 4254 1 210 . 1 1 33 33 VAL HG11 H 1 0.996 . . 1 . . . . . . . . 4254 1 211 . 1 1 33 33 VAL HG12 H 1 0.996 . . 1 . . . . . . . . 4254 1 212 . 1 1 33 33 VAL HG13 H 1 0.996 . . 1 . . . . . . . . 4254 1 213 . 1 1 33 33 VAL N N 15 120.036 . . 1 . . . . . . . . 4254 1 214 . 1 1 34 34 ASN CA C 13 53.039 . . 1 . . . . . . . . 4254 1 215 . 1 1 34 34 ASN CB C 13 35.766 . . 1 . . . . . . . . 4254 1 216 . 1 1 34 34 ASN H H 1 6.757 . . 1 . . . . . . . . 4254 1 217 . 1 1 34 34 ASN HA H 1 3.162 . . 1 . . . . . . . . 4254 1 218 . 1 1 34 34 ASN HD21 H 1 7.461 . . 1 . . . . . . . . 4254 1 219 . 1 1 34 34 ASN HD22 H 1 6.954 . . 1 . . . . . . . . 4254 1 220 . 1 1 34 34 ASN N N 15 125.613 . . 1 . . . . . . . . 4254 1 221 . 1 1 34 34 ASN ND2 N 15 112.674 . . 1 . . . . . . . . 4254 1 222 . 1 1 35 35 ALA CA C 13 54.039 . . 1 . . . . . . . . 4254 1 223 . 1 1 35 35 ALA CB C 13 18.311 . . 1 . . . . . . . . 4254 1 224 . 1 1 35 35 ALA H H 1 9.284 . . 1 . . . . . . . . 4254 1 225 . 1 1 35 35 ALA HA H 1 3.863 . . 1 . . . . . . . . 4254 1 226 . 1 1 35 35 ALA HB1 H 1 1.265 . . 1 . . . . . . . . 4254 1 227 . 1 1 35 35 ALA HB2 H 1 1.265 . . 1 . . . . . . . . 4254 1 228 . 1 1 35 35 ALA HB3 H 1 1.265 . . 1 . . . . . . . . 4254 1 229 . 1 1 35 35 ALA N N 15 130.574 . . 1 . . . . . . . . 4254 1 230 . 1 1 36 36 THR CA C 13 68.566 . . 1 . . . . . . . . 4254 1 231 . 1 1 36 36 THR CB C 13 67.056 . . 1 . . . . . . . . 4254 1 232 . 1 1 36 36 THR H H 1 8.047 . . 1 . . . . . . . . 4254 1 233 . 1 1 36 36 THR HA H 1 3.628 . . 1 . . . . . . . . 4254 1 234 . 1 1 36 36 THR HB H 1 4.439 . . 1 . . . . . . . . 4254 1 235 . 1 1 36 36 THR HG21 H 1 1.275 . . 1 . . . . . . . . 4254 1 236 . 1 1 36 36 THR HG22 H 1 1.275 . . 1 . . . . . . . . 4254 1 237 . 1 1 36 36 THR HG23 H 1 1.275 . . 1 . . . . . . . . 4254 1 238 . 1 1 36 36 THR N N 15 117.816 . . 1 . . . . . . . . 4254 1 239 . 1 1 37 37 HIS CA C 13 56.971 . . 1 . . . . . . . . 4254 1 240 . 1 1 37 37 HIS CB C 13 32.849 . . 1 . . . . . . . . 4254 1 241 . 1 1 37 37 HIS H H 1 7.177 . . 1 . . . . . . . . 4254 1 242 . 1 1 37 37 HIS HA H 1 4.321 . . 1 . . . . . . . . 4254 1 243 . 1 1 37 37 HIS HB2 H 1 3.585 . . 1 . . . . . . . . 4254 1 244 . 1 1 37 37 HIS HB3 H 1 3.585 . . 1 . . . . . . . . 4254 1 245 . 1 1 37 37 HIS N N 15 119.198 . . 1 . . . . . . . . 4254 1 246 . 1 1 38 38 ILE CA C 13 65.669 . . 1 . . . . . . . . 4254 1 247 . 1 1 38 38 ILE CB C 13 37.287 . . 1 . . . . . . . . 4254 1 248 . 1 1 38 38 ILE H H 1 7.338 . . 1 . . . . . . . . 4254 1 249 . 1 1 38 38 ILE HA H 1 3.329 . . 1 . . . . . . . . 4254 1 250 . 1 1 38 38 ILE HB H 1 2.118 . . 1 . . . . . . . . 4254 1 251 . 1 1 38 38 ILE N N 15 118.365 . . 1 . . . . . . . . 4254 1 252 . 1 1 39 39 LEU CA C 13 56.9 . . 1 . . . . . . . . 4254 1 253 . 1 1 39 39 LEU CB C 13 41.214 . . 1 . . . . . . . . 4254 1 254 . 1 1 39 39 LEU H H 1 7.841 . . 1 . . . . . . . . 4254 1 255 . 1 1 39 39 LEU HA H 1 3.88 . . 1 . . . . . . . . 4254 1 256 . 1 1 39 39 LEU HD11 H 1 0.77 . . 1 . . . . . . . . 4254 1 257 . 1 1 39 39 LEU HD12 H 1 0.77 . . 1 . . . . . . . . 4254 1 258 . 1 1 39 39 LEU HD13 H 1 0.77 . . 1 . . . . . . . . 4254 1 259 . 1 1 39 39 LEU HD21 H 1 0.564 . . 1 . . . . . . . . 4254 1 260 . 1 1 39 39 LEU HD22 H 1 0.564 . . 1 . . . . . . . . 4254 1 261 . 1 1 39 39 LEU HD23 H 1 0.564 . . 1 . . . . . . . . 4254 1 262 . 1 1 39 39 LEU N N 15 116.145 . . 1 . . . . . . . . 4254 1 263 . 1 1 40 40 LYS CA C 13 59.882 . . 1 . . . . . . . . 4254 1 264 . 1 1 40 40 LYS CB C 13 32.35 . . 1 . . . . . . . . 4254 1 265 . 1 1 40 40 LYS H H 1 8.202 . . 1 . . . . . . . . 4254 1 266 . 1 1 40 40 LYS HA H 1 4.073 . . 1 . . . . . . . . 4254 1 267 . 1 1 40 40 LYS HB2 H 1 1.925 . . 1 . . . . . . . . 4254 1 268 . 1 1 40 40 LYS HB3 H 1 1.925 . . 1 . . . . . . . . 4254 1 269 . 1 1 40 40 LYS N N 15 119.752 . . 1 . . . . . . . . 4254 1 270 . 1 1 41 41 ALA CA C 13 53.814 . . 1 . . . . . . . . 4254 1 271 . 1 1 41 41 ALA CB C 13 16.455 . . 1 . . . . . . . . 4254 1 272 . 1 1 41 41 ALA H H 1 7.689 . . 1 . . . . . . . . 4254 1 273 . 1 1 41 41 ALA HA H 1 4.409 . . 1 . . . . . . . . 4254 1 274 . 1 1 41 41 ALA HB1 H 1 1.016 . . 1 . . . . . . . . 4254 1 275 . 1 1 41 41 ALA HB2 H 1 1.016 . . 1 . . . . . . . . 4254 1 276 . 1 1 41 41 ALA HB3 H 1 1.016 . . 1 . . . . . . . . 4254 1 277 . 1 1 41 41 ALA N N 15 123.637 . . 1 . . . . . . . . 4254 1 278 . 1 1 42 42 ALA CA C 13 51.338 . . 1 . . . . . . . . 4254 1 279 . 1 1 42 42 ALA CB C 13 17.58 . . 1 . . . . . . . . 4254 1 280 . 1 1 42 42 ALA H H 1 7.003 . . 1 . . . . . . . . 4254 1 281 . 1 1 42 42 ALA HA H 1 4.015 . . 1 . . . . . . . . 4254 1 282 . 1 1 42 42 ALA HB1 H 1 0.872 . . 1 . . . . . . . . 4254 1 283 . 1 1 42 42 ALA HB2 H 1 0.872 . . 1 . . . . . . . . 4254 1 284 . 1 1 42 42 ALA HB3 H 1 0.872 . . 1 . . . . . . . . 4254 1 285 . 1 1 42 42 ALA N N 15 117.853 . . 1 . . . . . . . . 4254 1 286 . 1 1 43 43 ASN CA C 13 54.002 . . 1 . . . . . . . . 4254 1 287 . 1 1 43 43 ASN CB C 13 36.513 . . 1 . . . . . . . . 4254 1 288 . 1 1 43 43 ASN H H 1 7.945 . . 1 . . . . . . . . 4254 1 289 . 1 1 43 43 ASN HA H 1 4.296 . . 1 . . . . . . . . 4254 1 290 . 1 1 43 43 ASN HB2 H 1 3.052 . . 1 . . . . . . . . 4254 1 291 . 1 1 43 43 ASN HB3 H 1 2.773 . . 1 . . . . . . . . 4254 1 292 . 1 1 43 43 ASN HD21 H 1 7.528 . . 1 . . . . . . . . 4254 1 293 . 1 1 43 43 ASN HD22 H 1 6.729 . . 1 . . . . . . . . 4254 1 294 . 1 1 43 43 ASN N N 15 111.429 . . 1 . . . . . . . . 4254 1 295 . 1 1 43 43 ASN ND2 N 15 112.675 . . 1 . . . . . . . . 4254 1 296 . 1 1 44 44 PHE CA C 13 54.949 . . 1 . . . . . . . . 4254 1 297 . 1 1 44 44 PHE CB C 13 38.897 . . 1 . . . . . . . . 4254 1 298 . 1 1 44 44 PHE H H 1 7.179 . . 1 . . . . . . . . 4254 1 299 . 1 1 44 44 PHE HA H 1 4.968 . . 1 . . . . . . . . 4254 1 300 . 1 1 44 44 PHE HB2 H 1 2.727 . . 1 . . . . . . . . 4254 1 301 . 1 1 44 44 PHE HB3 H 1 2.727 . . 1 . . . . . . . . 4254 1 302 . 1 1 44 44 PHE N N 15 116.145 . . 1 . . . . . . . . 4254 1 303 . 1 1 45 45 ALA CA C 13 51.752 . . 1 . . . . . . . . 4254 1 304 . 1 1 45 45 ALA CB C 13 19.2 . . 1 . . . . . . . . 4254 1 305 . 1 1 45 45 ALA H H 1 9.023 . . 1 . . . . . . . . 4254 1 306 . 1 1 45 45 ALA HA H 1 4.359 . . 1 . . . . . . . . 4254 1 307 . 1 1 45 45 ALA HB1 H 1 1.606 . . 1 . . . . . . . . 4254 1 308 . 1 1 45 45 ALA HB2 H 1 1.606 . . 1 . . . . . . . . 4254 1 309 . 1 1 45 45 ALA HB3 H 1 1.606 . . 1 . . . . . . . . 4254 1 310 . 1 1 45 45 ALA N N 15 127.522 . . 1 . . . . . . . . 4254 1 311 . 1 1 46 46 LYS H H 1 8.916 . . 1 . . . . . . . . 4254 1 312 . 1 1 46 46 LYS HA H 1 4.863 . . 1 . . . . . . . . 4254 1 313 . 1 1 46 46 LYS N N 15 122.24 . . 1 . . . . . . . . 4254 1 314 . 1 1 47 47 ALA CA C 13 55.34 . . 1 . . . . . . . . 4254 1 315 . 1 1 47 47 ALA CB C 13 17.77 . . 1 . . . . . . . . 4254 1 316 . 1 1 47 47 ALA H H 1 9.223 . . 1 . . . . . . . . 4254 1 317 . 1 1 47 47 ALA N N 15 118.798 . . 1 . . . . . . . . 4254 1 318 . 1 1 48 48 LYS CA C 13 58.312 . . 1 . . . . . . . . 4254 1 319 . 1 1 48 48 LYS CB C 13 32.667 . . 1 . . . . . . . . 4254 1 320 . 1 1 48 48 LYS H H 1 7.29 . . 1 . . . . . . . . 4254 1 321 . 1 1 48 48 LYS HA H 1 4.02 . . 1 . . . . . . . . 4254 1 322 . 1 1 48 48 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 4254 1 323 . 1 1 48 48 LYS N N 15 118.67 . . 1 . . . . . . . . 4254 1 324 . 1 1 49 49 ARG CA C 13 60.483 . . 1 . . . . . . . . 4254 1 325 . 1 1 49 49 ARG CB C 13 30.565 . . 1 . . . . . . . . 4254 1 326 . 1 1 49 49 ARG H H 1 8.498 . . 1 . . . . . . . . 4254 1 327 . 1 1 49 49 ARG N N 15 117.255 . . 1 . . . . . . . . 4254 1 328 . 1 1 50 50 THR CA C 13 66.792 . . 1 . . . . . . . . 4254 1 329 . 1 1 50 50 THR CB C 13 68.816 . . 1 . . . . . . . . 4254 1 330 . 1 1 50 50 THR H H 1 8.321 . . 1 . . . . . . . . 4254 1 331 . 1 1 50 50 THR HA H 1 3.786 . . 1 . . . . . . . . 4254 1 332 . 1 1 50 50 THR HB H 1 4.198 . . 1 . . . . . . . . 4254 1 333 . 1 1 50 50 THR HG21 H 1 1.204 . . 1 . . . . . . . . 4254 1 334 . 1 1 50 50 THR HG22 H 1 1.204 . . 1 . . . . . . . . 4254 1 335 . 1 1 50 50 THR HG23 H 1 1.204 . . 1 . . . . . . . . 4254 1 336 . 1 1 50 50 THR N N 15 114.203 . . 1 . . . . . . . . 4254 1 337 . 1 1 51 51 ARG CA C 13 58.984 . . 1 . . . . . . . . 4254 1 338 . 1 1 51 51 ARG CB C 13 29.813 . . 1 . . . . . . . . 4254 1 339 . 1 1 51 51 ARG H H 1 7.43 . . 1 . . . . . . . . 4254 1 340 . 1 1 51 51 ARG HA H 1 4.096 . . 1 . . . . . . . . 4254 1 341 . 1 1 51 51 ARG HB2 H 1 1.895 . . 1 . . . . . . . . 4254 1 342 . 1 1 51 51 ARG HB3 H 1 1.669 . . 1 . . . . . . . . 4254 1 343 . 1 1 51 51 ARG HD2 H 1 3.224 . . 1 . . . . . . . . 4254 1 344 . 1 1 51 51 ARG HD3 H 1 3.224 . . 1 . . . . . . . . 4254 1 345 . 1 1 51 51 ARG N N 15 120.862 . . 1 . . . . . . . . 4254 1 346 . 1 1 52 52 ILE CA C 13 64.742 . . 1 . . . . . . . . 4254 1 347 . 1 1 52 52 ILE CB C 13 37.579 . . 1 . . . . . . . . 4254 1 348 . 1 1 52 52 ILE H H 1 8.165 . . 1 . . . . . . . . 4254 1 349 . 1 1 52 52 ILE HA H 1 3.699 . . 1 . . . . . . . . 4254 1 350 . 1 1 52 52 ILE HB H 1 1.643 . . 1 . . . . . . . . 4254 1 351 . 1 1 52 52 ILE N N 15 120.03 . . 1 . . . . . . . . 4254 1 352 . 1 1 53 53 LEU CA C 13 58.267 . . 1 . . . . . . . . 4254 1 353 . 1 1 53 53 LEU CB C 13 41.079 . . 1 . . . . . . . . 4254 1 354 . 1 1 53 53 LEU H H 1 8.522 . . 1 . . . . . . . . 4254 1 355 . 1 1 53 53 LEU HA H 1 3.784 . . 1 . . . . . . . . 4254 1 356 . 1 1 53 53 LEU HD11 H 1 0.782 . . 1 . . . . . . . . 4254 1 357 . 1 1 53 53 LEU HD12 H 1 0.782 . . 1 . . . . . . . . 4254 1 358 . 1 1 53 53 LEU HD13 H 1 0.782 . . 1 . . . . . . . . 4254 1 359 . 1 1 53 53 LEU N N 15 120.307 . . 1 . . . . . . . . 4254 1 360 . 1 1 54 54 GLU CA C 13 59.175 . . 1 . . . . . . . . 4254 1 361 . 1 1 54 54 GLU CB C 13 29.506 . . 1 . . . . . . . . 4254 1 362 . 1 1 54 54 GLU H H 1 8.045 . . 1 . . . . . . . . 4254 1 363 . 1 1 54 54 GLU HA H 1 3.83 . . 1 . . . . . . . . 4254 1 364 . 1 1 54 54 GLU HB2 H 1 2.148 . . 1 . . . . . . . . 4254 1 365 . 1 1 54 54 GLU HB3 H 1 2.01 . . 1 . . . . . . . . 4254 1 366 . 1 1 54 54 GLU N N 15 117.261 . . 1 . . . . . . . . 4254 1 367 . 1 1 55 55 LYS CA C 13 57.865 . . 1 . . . . . . . . 4254 1 368 . 1 1 55 55 LYS CB C 13 33.293 . . 1 . . . . . . . . 4254 1 369 . 1 1 55 55 LYS H H 1 7.81 . . 1 . . . . . . . . 4254 1 370 . 1 1 55 55 LYS HA H 1 4.209 . . 1 . . . . . . . . 4254 1 371 . 1 1 55 55 LYS HB2 H 1 1.946 . . 1 . . . . . . . . 4254 1 372 . 1 1 55 55 LYS HB3 H 1 1.946 . . 1 . . . . . . . . 4254 1 373 . 1 1 55 55 LYS N N 15 116.158 . . 1 . . . . . . . . 4254 1 374 . 1 1 56 56 GLU CA C 13 57.329 . . 1 . . . . . . . . 4254 1 375 . 1 1 56 56 GLU CB C 13 31.19 . . 1 . . . . . . . . 4254 1 376 . 1 1 56 56 GLU H H 1 8.55 . . 1 . . . . . . . . 4254 1 377 . 1 1 56 56 GLU HA H 1 4.482 . . 1 . . . . . . . . 4254 1 378 . 1 1 56 56 GLU HB2 H 1 1.943 . . 1 . . . . . . . . 4254 1 379 . 1 1 56 56 GLU HB3 H 1 1.943 . . 1 . . . . . . . . 4254 1 380 . 1 1 56 56 GLU N N 15 114.481 . . 1 . . . . . . . . 4254 1 381 . 1 1 57 57 VAL CA C 13 63.531 . . 1 . . . . . . . . 4254 1 382 . 1 1 57 57 VAL CB C 13 32.371 . . 1 . . . . . . . . 4254 1 383 . 1 1 57 57 VAL H H 1 7.925 . . 1 . . . . . . . . 4254 1 384 . 1 1 57 57 VAL HA H 1 4.086 . . 1 . . . . . . . . 4254 1 385 . 1 1 57 57 VAL HB H 1 2.145 . . 1 . . . . . . . . 4254 1 386 . 1 1 57 57 VAL HG11 H 1 0.747 . . 1 . . . . . . . . 4254 1 387 . 1 1 57 57 VAL HG12 H 1 0.747 . . 1 . . . . . . . . 4254 1 388 . 1 1 57 57 VAL HG13 H 1 0.747 . . 1 . . . . . . . . 4254 1 389 . 1 1 57 57 VAL HG21 H 1 0.64 . . 1 . . . . . . . . 4254 1 390 . 1 1 57 57 VAL HG22 H 1 0.64 . . 1 . . . . . . . . 4254 1 391 . 1 1 57 57 VAL HG23 H 1 0.64 . . 1 . . . . . . . . 4254 1 392 . 1 1 57 57 VAL N N 15 115.313 . . 1 . . . . . . . . 4254 1 393 . 1 1 58 58 LEU CA C 13 57.017 . . 1 . . . . . . . . 4254 1 394 . 1 1 58 58 LEU CB C 13 40.808 . . 1 . . . . . . . . 4254 1 395 . 1 1 58 58 LEU H H 1 7.561 . . 1 . . . . . . . . 4254 1 396 . 1 1 58 58 LEU HA H 1 3.522 . . 1 . . . . . . . . 4254 1 397 . 1 1 58 58 LEU N N 15 118.643 . . 1 . . . . . . . . 4254 1 398 . 1 1 59 59 LYS CA C 13 56.201 . . 1 . . . . . . . . 4254 1 399 . 1 1 59 59 LYS CB C 13 31.95 . . 1 . . . . . . . . 4254 1 400 . 1 1 59 59 LYS H H 1 7.669 . . 1 . . . . . . . . 4254 1 401 . 1 1 59 59 LYS HA H 1 4.332 . . 1 . . . . . . . . 4254 1 402 . 1 1 59 59 LYS HG2 H 1 1.323 . . 1 . . . . . . . . 4254 1 403 . 1 1 59 59 LYS HG3 H 1 1.323 . . 1 . . . . . . . . 4254 1 404 . 1 1 59 59 LYS N N 15 114.505 . . 1 . . . . . . . . 4254 1 405 . 1 1 60 60 GLU CA C 13 53.545 . . 1 . . . . . . . . 4254 1 406 . 1 1 60 60 GLU CB C 13 31.396 . . 1 . . . . . . . . 4254 1 407 . 1 1 60 60 GLU H H 1 7.851 . . 1 . . . . . . . . 4254 1 408 . 1 1 60 60 GLU HA H 1 4.788 . . 1 . . . . . . . . 4254 1 409 . 1 1 60 60 GLU HB2 H 1 2.259 . . 1 . . . . . . . . 4254 1 410 . 1 1 60 60 GLU HB3 H 1 1.927 . . 1 . . . . . . . . 4254 1 411 . 1 1 60 60 GLU N N 15 120.019 . . 1 . . . . . . . . 4254 1 412 . 1 1 61 61 THR CA C 13 64.108 . . 1 . . . . . . . . 4254 1 413 . 1 1 61 61 THR CB C 13 69.366 . . 1 . . . . . . . . 4254 1 414 . 1 1 61 61 THR H H 1 8.807 . . 1 . . . . . . . . 4254 1 415 . 1 1 61 61 THR HA H 1 4.164 . . 1 . . . . . . . . 4254 1 416 . 1 1 61 61 THR HB H 1 3.872 . . 1 . . . . . . . . 4254 1 417 . 1 1 61 61 THR N N 15 120.03 . . 1 . . . . . . . . 4254 1 418 . 1 1 62 62 HIS CA C 13 56.416 . . 1 . . . . . . . . 4254 1 419 . 1 1 62 62 HIS CB C 13 31.028 . . 1 . . . . . . . . 4254 1 420 . 1 1 62 62 HIS H H 1 8.095 . . 1 . . . . . . . . 4254 1 421 . 1 1 62 62 HIS HA H 1 5.527 . . 1 . . . . . . . . 4254 1 422 . 1 1 62 62 HIS N N 15 117.81 . . 1 . . . . . . . . 4254 1 423 . 1 1 63 63 GLU CA C 13 55.46 . . 1 . . . . . . . . 4254 1 424 . 1 1 63 63 GLU CB C 13 33.813 . . 1 . . . . . . . . 4254 1 425 . 1 1 63 63 GLU H H 1 9.609 . . 1 . . . . . . . . 4254 1 426 . 1 1 63 63 GLU HA H 1 4.695 . . 1 . . . . . . . . 4254 1 427 . 1 1 63 63 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 4254 1 428 . 1 1 63 63 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 4254 1 429 . 1 1 63 63 GLU N N 15 120.586 . . 1 . . . . . . . . 4254 1 430 . 1 1 64 64 LYS CA C 13 56.397 . . 1 . . . . . . . . 4254 1 431 . 1 1 64 64 LYS CB C 13 33.175 . . 1 . . . . . . . . 4254 1 432 . 1 1 64 64 LYS H H 1 9.475 . . 1 . . . . . . . . 4254 1 433 . 1 1 64 64 LYS N N 15 127.522 . . 1 . . . . . . . . 4254 1 434 . 1 1 65 65 VAL H H 1 9.126 . . 1 . . . . . . . . 4254 1 435 . 1 1 65 65 VAL HA H 1 4.327 . . 1 . . . . . . . . 4254 1 436 . 1 1 65 65 VAL HB H 1 2.23 . . 1 . . . . . . . . 4254 1 437 . 1 1 65 65 VAL HG21 H 1 0.703 . . 1 . . . . . . . . 4254 1 438 . 1 1 65 65 VAL HG22 H 1 0.703 . . 1 . . . . . . . . 4254 1 439 . 1 1 65 65 VAL HG23 H 1 0.703 . . 1 . . . . . . . . 4254 1 440 . 1 1 65 65 VAL N N 15 127.799 . . 1 . . . . . . . . 4254 1 441 . 1 1 66 66 GLN CA C 13 54.813 . . 1 . . . . . . . . 4254 1 442 . 1 1 66 66 GLN CB C 13 30.821 . . 1 . . . . . . . . 4254 1 443 . 1 1 66 66 GLN CG C 13 33.979 . . 1 . . . . . . . . 4254 1 444 . 1 1 66 66 GLN HE21 H 1 7.684 . . 1 . . . . . . . . 4254 1 445 . 1 1 66 66 GLN HE22 H 1 6.995 . . 1 . . . . . . . . 4254 1 446 . 1 1 66 66 GLN NE2 N 15 112.407 . . 1 . . . . . . . . 4254 1 447 . 1 1 67 67 GLY CA C 13 44.669 . . 1 . . . . . . . . 4254 1 448 . 1 1 67 67 GLY H H 1 8.035 . . 1 . . . . . . . . 4254 1 449 . 1 1 67 67 GLY HA2 H 1 4.127 . . 1 . . . . . . . . 4254 1 450 . 1 1 67 67 GLY HA3 H 1 4.005 . . 1 . . . . . . . . 4254 1 451 . 1 1 67 67 GLY N N 15 108.694 . . 1 . . . . . . . . 4254 1 452 . 1 1 68 68 GLY CA C 13 44.599 . . 1 . . . . . . . . 4254 1 453 . 1 1 68 68 GLY H H 1 8.365 . . 1 . . . . . . . . 4254 1 454 . 1 1 68 68 GLY HA2 H 1 4.108 . . 1 . . . . . . . . 4254 1 455 . 1 1 68 68 GLY HA3 H 1 3.884 . . 1 . . . . . . . . 4254 1 456 . 1 1 68 68 GLY N N 15 107.267 . . 1 . . . . . . . . 4254 1 457 . 1 1 69 69 PHE CA C 13 58.156 . . 1 . . . . . . . . 4254 1 458 . 1 1 69 69 PHE CB C 13 39.561 . . 1 . . . . . . . . 4254 1 459 . 1 1 69 69 PHE H H 1 8.709 . . 1 . . . . . . . . 4254 1 460 . 1 1 69 69 PHE HA H 1 4.591 . . 1 . . . . . . . . 4254 1 461 . 1 1 69 69 PHE HB2 H 1 3.254 . . 1 . . . . . . . . 4254 1 462 . 1 1 69 69 PHE HB3 H 1 3.015 . . 1 . . . . . . . . 4254 1 463 . 1 1 69 69 PHE N N 15 120.585 . . 1 . . . . . . . . 4254 1 464 . 1 1 70 70 GLY CA C 13 47.47 . . 1 . . . . . . . . 4254 1 465 . 1 1 70 70 GLY HA2 H 1 4.05 . . 1 . . . . . . . . 4254 1 466 . 1 1 70 70 GLY HA3 H 1 3.69 . . 1 . . . . . . . . 4254 1 467 . 1 1 72 72 TYR CA C 13 58.312 . . 1 . . . . . . . . 4254 1 468 . 1 1 72 72 TYR CB C 13 40.909 . . 1 . . . . . . . . 4254 1 469 . 1 1 73 73 GLN CA C 13 56.678 . . 1 . . . . . . . . 4254 1 470 . 1 1 73 73 GLN CB C 13 29.816 . . 1 . . . . . . . . 4254 1 471 . 1 1 73 73 GLN CG C 13 34.247 . . 1 . . . . . . . . 4254 1 472 . 1 1 73 73 GLN H H 1 7.006 . . 1 . . . . . . . . 4254 1 473 . 1 1 73 73 GLN HA H 1 3.854 . . 1 . . . . . . . . 4254 1 474 . 1 1 73 73 GLN HB2 H 1 2.284 . . 1 . . . . . . . . 4254 1 475 . 1 1 73 73 GLN HB3 H 1 2.284 . . 1 . . . . . . . . 4254 1 476 . 1 1 73 73 GLN HE21 H 1 7.303 . . 1 . . . . . . . . 4254 1 477 . 1 1 73 73 GLN HE22 H 1 6.924 . . 1 . . . . . . . . 4254 1 478 . 1 1 73 73 GLN N N 15 113.923 . . 1 . . . . . . . . 4254 1 479 . 1 1 73 73 GLN NE2 N 15 111.429 . . 1 . . . . . . . . 4254 1 480 . 1 1 74 74 GLY CA C 13 44.426 . . 1 . . . . . . . . 4254 1 481 . 1 1 74 74 GLY H H 1 8.662 . . 1 . . . . . . . . 4254 1 482 . 1 1 74 74 GLY HA2 H 1 4.536 . . 1 . . . . . . . . 4254 1 483 . 1 1 74 74 GLY HA3 H 1 3.917 . . 1 . . . . . . . . 4254 1 484 . 1 1 74 74 GLY N N 15 108.376 . . 1 . . . . . . . . 4254 1 485 . 1 1 75 75 THR CA C 13 62.418 . . 1 . . . . . . . . 4254 1 486 . 1 1 75 75 THR CB C 13 69.212 . . 1 . . . . . . . . 4254 1 487 . 1 1 75 75 THR H H 1 7.868 . . 1 . . . . . . . . 4254 1 488 . 1 1 75 75 THR HA H 1 5.052 . . 1 . . . . . . . . 4254 1 489 . 1 1 75 75 THR HB H 1 3.792 . . 1 . . . . . . . . 4254 1 490 . 1 1 75 75 THR HG21 H 1 1.018 . . 1 . . . . . . . . 4254 1 491 . 1 1 75 75 THR HG22 H 1 1.018 . . 1 . . . . . . . . 4254 1 492 . 1 1 75 75 THR HG23 H 1 1.018 . . 1 . . . . . . . . 4254 1 493 . 1 1 75 75 THR N N 15 118.365 . . 1 . . . . . . . . 4254 1 494 . 1 1 76 76 TRP CA C 13 56.578 . . 1 . . . . . . . . 4254 1 495 . 1 1 76 76 TRP CB C 13 30.171 . . 1 . . . . . . . . 4254 1 496 . 1 1 76 76 TRP H H 1 9.872 . . 1 . . . . . . . . 4254 1 497 . 1 1 76 76 TRP HA H 1 5.195 . . 1 . . . . . . . . 4254 1 498 . 1 1 76 76 TRP HB2 H 1 3.378 . . 1 . . . . . . . . 4254 1 499 . 1 1 76 76 TRP HB3 H 1 3.378 . . 1 . . . . . . . . 4254 1 500 . 1 1 76 76 TRP HE1 H 1 8.63 . . 1 . . . . . . . . 4254 1 501 . 1 1 76 76 TRP N N 15 129.777 . . 1 . . . . . . . . 4254 1 502 . 1 1 76 76 TRP NE1 N 15 127.27 . . 1 . . . . . . . . 4254 1 503 . 1 1 77 77 VAL CA C 13 57.358 . . 1 . . . . . . . . 4254 1 504 . 1 1 77 77 VAL CB C 13 33.876 . . 1 . . . . . . . . 4254 1 505 . 1 1 77 77 VAL H H 1 9.289 . . 1 . . . . . . . . 4254 1 506 . 1 1 77 77 VAL HA H 1 4.716 . . 1 . . . . . . . . 4254 1 507 . 1 1 77 77 VAL N N 15 113.144 . . 1 . . . . . . . . 4254 1 508 . 1 1 78 78 PRO CA C 13 61.552 . . 1 . . . . . . . . 4254 1 509 . 1 1 78 78 PRO CB C 13 32.468 . . 1 . . . . . . . . 4254 1 510 . 1 1 79 79 LEU CA C 13 58.858 . . 1 . . . . . . . . 4254 1 511 . 1 1 79 79 LEU CB C 13 40.987 . . 1 . . . . . . . . 4254 1 512 . 1 1 79 79 LEU H H 1 8.689 . . 1 . . . . . . . . 4254 1 513 . 1 1 79 79 LEU HA H 1 3.945 . . 1 . . . . . . . . 4254 1 514 . 1 1 79 79 LEU N N 15 123.637 . . 1 . . . . . . . . 4254 1 515 . 1 1 80 80 ASN CA C 13 56.651 . . 1 . . . . . . . . 4254 1 516 . 1 1 80 80 ASN CB C 13 36.325 . . 1 . . . . . . . . 4254 1 517 . 1 1 80 80 ASN H H 1 8.759 . . 1 . . . . . . . . 4254 1 518 . 1 1 80 80 ASN HA H 1 4.212 . . 1 . . . . . . . . 4254 1 519 . 1 1 80 80 ASN HB2 H 1 2.73 . . 1 . . . . . . . . 4254 1 520 . 1 1 80 80 ASN HB3 H 1 2.73 . . 1 . . . . . . . . 4254 1 521 . 1 1 80 80 ASN HD21 H 1 7.736 . . 1 . . . . . . . . 4254 1 522 . 1 1 80 80 ASN HD22 H 1 6.971 . . 1 . . . . . . . . 4254 1 523 . 1 1 80 80 ASN N N 15 113.104 . . 1 . . . . . . . . 4254 1 524 . 1 1 80 80 ASN ND2 N 15 114.621 . . 1 . . . . . . . . 4254 1 525 . 1 1 81 81 ILE CA C 13 62.074 . . 1 . . . . . . . . 4254 1 526 . 1 1 81 81 ILE CB C 13 36.483 . . 1 . . . . . . . . 4254 1 527 . 1 1 81 81 ILE H H 1 6.919 . . 1 . . . . . . . . 4254 1 528 . 1 1 81 81 ILE HA H 1 3.758 . . 1 . . . . . . . . 4254 1 529 . 1 1 81 81 ILE HB H 1 1.856 . . 1 . . . . . . . . 4254 1 530 . 1 1 81 81 ILE N N 15 121.976 . . 1 . . . . . . . . 4254 1 531 . 1 1 82 82 ALA CA C 13 55.209 . . 1 . . . . . . . . 4254 1 532 . 1 1 82 82 ALA CB C 13 18.853 . . 1 . . . . . . . . 4254 1 533 . 1 1 82 82 ALA H H 1 8.3 . . 1 . . . . . . . . 4254 1 534 . 1 1 82 82 ALA HA H 1 3.664 . . 1 . . . . . . . . 4254 1 535 . 1 1 82 82 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4254 1 536 . 1 1 82 82 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4254 1 537 . 1 1 82 82 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4254 1 538 . 1 1 82 82 ALA N N 15 123.927 . . 1 . . . . . . . . 4254 1 539 . 1 1 83 83 LYS CA C 13 60.433 . . 1 . . . . . . . . 4254 1 540 . 1 1 83 83 LYS CB C 13 32.549 . . 1 . . . . . . . . 4254 1 541 . 1 1 83 83 LYS H H 1 8.514 . . 1 . . . . . . . . 4254 1 542 . 1 1 83 83 LYS HA H 1 3.462 . . 1 . . . . . . . . 4254 1 543 . 1 1 83 83 LYS N N 15 117.273 . . 1 . . . . . . . . 4254 1 544 . 1 1 84 84 GLN CA C 13 58.842 . . 1 . . . . . . . . 4254 1 545 . 1 1 84 84 GLN CB C 13 28.431 . . 1 . . . . . . . . 4254 1 546 . 1 1 84 84 GLN CG C 13 34.06 . . 1 . . . . . . . . 4254 1 547 . 1 1 84 84 GLN H H 1 7.238 . . 1 . . . . . . . . 4254 1 548 . 1 1 84 84 GLN HA H 1 4.047 . . 1 . . . . . . . . 4254 1 549 . 1 1 84 84 GLN HB2 H 1 2.331 . . 1 . . . . . . . . 4254 1 550 . 1 1 84 84 GLN HB3 H 1 2.155 . . 1 . . . . . . . . 4254 1 551 . 1 1 84 84 GLN HE21 H 1 7.385 . . 1 . . . . . . . . 4254 1 552 . 1 1 84 84 GLN HE22 H 1 6.875 . . 1 . . . . . . . . 4254 1 553 . 1 1 84 84 GLN HG2 H 1 2.522 . . 1 . . . . . . . . 4254 1 554 . 1 1 84 84 GLN HG3 H 1 2.522 . . 1 . . . . . . . . 4254 1 555 . 1 1 84 84 GLN N N 15 118.106 . . 1 . . . . . . . . 4254 1 556 . 1 1 84 84 GLN NE2 N 15 111.18 . . 1 . . . . . . . . 4254 1 557 . 1 1 85 85 LEU CA C 13 57.539 . . 1 . . . . . . . . 4254 1 558 . 1 1 85 85 LEU CB C 13 42.841 . . 1 . . . . . . . . 4254 1 559 . 1 1 85 85 LEU H H 1 8.409 . . 1 . . . . . . . . 4254 1 560 . 1 1 85 85 LEU HA H 1 4.071 . . 1 . . . . . . . . 4254 1 561 . 1 1 85 85 LEU HB2 H 1 1.858 . . 1 . . . . . . . . 4254 1 562 . 1 1 85 85 LEU HB3 H 1 1.858 . . 1 . . . . . . . . 4254 1 563 . 1 1 85 85 LEU N N 15 121.486 . . 1 . . . . . . . . 4254 1 564 . 1 1 86 86 ALA CA C 13 54.32 . . 1 . . . . . . . . 4254 1 565 . 1 1 86 86 ALA CB C 13 18.253 . . 1 . . . . . . . . 4254 1 566 . 1 1 86 86 ALA H H 1 8.612 . . 1 . . . . . . . . 4254 1 567 . 1 1 86 86 ALA HA H 1 3.91 . . 1 . . . . . . . . 4254 1 568 . 1 1 86 86 ALA HB1 H 1 1.587 . . 1 . . . . . . . . 4254 1 569 . 1 1 86 86 ALA HB2 H 1 1.587 . . 1 . . . . . . . . 4254 1 570 . 1 1 86 86 ALA HB3 H 1 1.587 . . 1 . . . . . . . . 4254 1 571 . 1 1 86 86 ALA N N 15 118.365 . . 1 . . . . . . . . 4254 1 572 . 1 1 87 87 GLU CA C 13 59.418 . . 1 . . . . . . . . 4254 1 573 . 1 1 87 87 GLU CB C 13 29.58 . . 1 . . . . . . . . 4254 1 574 . 1 1 87 87 GLU H H 1 8.496 . . 1 . . . . . . . . 4254 1 575 . 1 1 87 87 GLU HA H 1 4.154 . . 1 . . . . . . . . 4254 1 576 . 1 1 87 87 GLU HB2 H 1 1.918 . . 1 . . . . . . . . 4254 1 577 . 1 1 87 87 GLU HB3 H 1 2.102 . . 1 . . . . . . . . 4254 1 578 . 1 1 87 87 GLU N N 15 118.088 . . 1 . . . . . . . . 4254 1 579 . 1 1 88 88 LYS CA C 13 59.37 . . 1 . . . . . . . . 4254 1 580 . 1 1 88 88 LYS CB C 13 31.703 . . 1 . . . . . . . . 4254 1 581 . 1 1 88 88 LYS H H 1 8.152 . . 1 . . . . . . . . 4254 1 582 . 1 1 88 88 LYS HA H 1 3.832 . . 1 . . . . . . . . 4254 1 583 . 1 1 88 88 LYS N N 15 121.972 . . 1 . . . . . . . . 4254 1 584 . 1 1 89 89 PHE CA C 13 57.333 . . 1 . . . . . . . . 4254 1 585 . 1 1 89 89 PHE CB C 13 37.67 . . 1 . . . . . . . . 4254 1 586 . 1 1 89 89 PHE H H 1 7.5 . . 1 . . . . . . . . 4254 1 587 . 1 1 89 89 PHE HA H 1 5.019 . . 1 . . . . . . . . 4254 1 588 . 1 1 89 89 PHE HB2 H 1 3.654 . . 1 . . . . . . . . 4254 1 589 . 1 1 89 89 PHE HB3 H 1 2.425 . . 1 . . . . . . . . 4254 1 590 . 1 1 89 89 PHE N N 15 113.937 . . 1 . . . . . . . . 4254 1 591 . 1 1 90 90 SER CA C 13 59.543 . . 1 . . . . . . . . 4254 1 592 . 1 1 90 90 SER CB C 13 61.219 . . 1 . . . . . . . . 4254 1 593 . 1 1 90 90 SER H H 1 7.732 . . 1 . . . . . . . . 4254 1 594 . 1 1 90 90 SER HA H 1 4.356 . . 1 . . . . . . . . 4254 1 595 . 1 1 90 90 SER HB2 H 1 4.26 . . 1 . . . . . . . . 4254 1 596 . 1 1 90 90 SER HB3 H 1 4.097 . . 1 . . . . . . . . 4254 1 597 . 1 1 90 90 SER N N 15 110.041 . . 1 . . . . . . . . 4254 1 598 . 1 1 91 91 VAL CA C 13 59.642 . . 1 . . . . . . . . 4254 1 599 . 1 1 91 91 VAL CB C 13 32.76 . . 1 . . . . . . . . 4254 1 600 . 1 1 91 91 VAL H H 1 8.629 . . 1 . . . . . . . . 4254 1 601 . 1 1 91 91 VAL HA H 1 4.917 . . 1 . . . . . . . . 4254 1 602 . 1 1 91 91 VAL HB H 1 2.326 . . 1 . . . . . . . . 4254 1 603 . 1 1 91 91 VAL N N 15 108.099 . . 1 . . . . . . . . 4254 1 604 . 1 1 92 92 TYR CA C 13 62.919 . . 1 . . . . . . . . 4254 1 605 . 1 1 92 92 TYR CB C 13 38.222 . . 1 . . . . . . . . 4254 1 606 . 1 1 92 92 TYR H H 1 7.705 . . 1 . . . . . . . . 4254 1 607 . 1 1 92 92 TYR HA H 1 3.74 . . 1 . . . . . . . . 4254 1 608 . 1 1 92 92 TYR HB2 H 1 3.071 . . 1 . . . . . . . . 4254 1 609 . 1 1 92 92 TYR HB3 H 1 2.61 . . 1 . . . . . . . . 4254 1 610 . 1 1 92 92 TYR N N 15 124.207 . . 1 . . . . . . . . 4254 1 611 . 1 1 93 93 ASP CA C 13 57.518 . . 1 . . . . . . . . 4254 1 612 . 1 1 93 93 ASP CB C 13 39.526 . . 1 . . . . . . . . 4254 1 613 . 1 1 93 93 ASP H H 1 8.633 . . 1 . . . . . . . . 4254 1 614 . 1 1 93 93 ASP HA H 1 4.074 . . 1 . . . . . . . . 4254 1 615 . 1 1 93 93 ASP HB2 H 1 2.648 . . 1 . . . . . . . . 4254 1 616 . 1 1 93 93 ASP HB3 H 1 2.648 . . 1 . . . . . . . . 4254 1 617 . 1 1 93 93 ASP N N 15 116.466 . . 1 . . . . . . . . 4254 1 618 . 1 1 94 94 GLN CA C 13 57.7 . . 1 . . . . . . . . 4254 1 619 . 1 1 94 94 GLN CB C 13 29.613 . . 1 . . . . . . . . 4254 1 620 . 1 1 94 94 GLN CG C 13 34.325 . . 1 . . . . . . . . 4254 1 621 . 1 1 94 94 GLN H H 1 7.586 . . 1 . . . . . . . . 4254 1 622 . 1 1 94 94 GLN HA H 1 4.114 . . 1 . . . . . . . . 4254 1 623 . 1 1 94 94 GLN HB2 H 1 2.155 . . 1 . . . . . . . . 4254 1 624 . 1 1 94 94 GLN HB3 H 1 1.985 . . 1 . . . . . . . . 4254 1 625 . 1 1 94 94 GLN HE21 H 1 7.932 . . 1 . . . . . . . . 4254 1 626 . 1 1 94 94 GLN HE22 H 1 7.207 . . 1 . . . . . . . . 4254 1 627 . 1 1 94 94 GLN HG2 H 1 2.523 . . 1 . . . . . . . . 4254 1 628 . 1 1 94 94 GLN HG3 H 1 2.523 . . 1 . . . . . . . . 4254 1 629 . 1 1 94 94 GLN N N 15 115.59 . . 1 . . . . . . . . 4254 1 630 . 1 1 94 94 GLN NE2 N 15 113.359 . . 1 . . . . . . . . 4254 1 631 . 1 1 95 95 LEU CA C 13 54.025 . . 1 . . . . . . . . 4254 1 632 . 1 1 95 95 LEU CB C 13 42.33 . . 1 . . . . . . . . 4254 1 633 . 1 1 95 95 LEU H H 1 7.099 . . 1 . . . . . . . . 4254 1 634 . 1 1 95 95 LEU HA H 1 3.954 . . 1 . . . . . . . . 4254 1 635 . 1 1 95 95 LEU HD11 H 1 0.832 . . 1 . . . . . . . . 4254 1 636 . 1 1 95 95 LEU HD12 H 1 0.832 . . 1 . . . . . . . . 4254 1 637 . 1 1 95 95 LEU HD13 H 1 0.832 . . 1 . . . . . . . . 4254 1 638 . 1 1 95 95 LEU HD21 H 1 0.512 . . 1 . . . . . . . . 4254 1 639 . 1 1 95 95 LEU HD22 H 1 0.512 . . 1 . . . . . . . . 4254 1 640 . 1 1 95 95 LEU HD23 H 1 0.512 . . 1 . . . . . . . . 4254 1 641 . 1 1 95 95 LEU N N 15 115.868 . . 1 . . . . . . . . 4254 1 642 . 1 1 96 96 LYS CA C 13 61.27 . . 1 . . . . . . . . 4254 1 643 . 1 1 96 96 LYS CB C 13 30.614 . . 1 . . . . . . . . 4254 1 644 . 1 1 96 96 LYS H H 1 7.563 . . 1 . . . . . . . . 4254 1 645 . 1 1 96 96 LYS HA H 1 3.553 . . 1 . . . . . . . . 4254 1 646 . 1 1 96 96 LYS HB2 H 1 1.593 . . 1 . . . . . . . . 4254 1 647 . 1 1 96 96 LYS HB3 H 1 1.593 . . 1 . . . . . . . . 4254 1 648 . 1 1 96 96 LYS N N 15 123.933 . . 1 . . . . . . . . 4254 1 649 . 1 1 97 97 PRO CA C 13 65.788 . . 1 . . . . . . . . 4254 1 650 . 1 1 97 97 PRO CB C 13 30.915 . . 1 . . . . . . . . 4254 1 651 . 1 1 98 98 LEU CA C 13 56.216 . . 1 . . . . . . . . 4254 1 652 . 1 1 98 98 LEU CB C 13 41.167 . . 1 . . . . . . . . 4254 1 653 . 1 1 98 98 LEU H H 1 6.776 . . 1 . . . . . . . . 4254 1 654 . 1 1 98 98 LEU HA H 1 3.926 . . 1 . . . . . . . . 4254 1 655 . 1 1 98 98 LEU N N 15 113.961 . . 1 . . . . . . . . 4254 1 656 . 1 1 99 99 PHE CA C 13 60.004 . . 1 . . . . . . . . 4254 1 657 . 1 1 99 99 PHE CB C 13 37.43 . . 1 . . . . . . . . 4254 1 658 . 1 1 99 99 PHE H H 1 7.49 . . 1 . . . . . . . . 4254 1 659 . 1 1 99 99 PHE HA H 1 4.091 . . 1 . . . . . . . . 4254 1 660 . 1 1 99 99 PHE HB2 H 1 3.098 . . 1 . . . . . . . . 4254 1 661 . 1 1 99 99 PHE HB3 H 1 3.098 . . 1 . . . . . . . . 4254 1 662 . 1 1 99 99 PHE N N 15 118.088 . . 1 . . . . . . . . 4254 1 663 . 1 1 100 100 ASP CA C 13 55.206 . . 1 . . . . . . . . 4254 1 664 . 1 1 100 100 ASP CB C 13 40.633 . . 1 . . . . . . . . 4254 1 665 . 1 1 100 100 ASP H H 1 8.582 . . 1 . . . . . . . . 4254 1 666 . 1 1 100 100 ASP HA H 1 4.369 . . 1 . . . . . . . . 4254 1 667 . 1 1 100 100 ASP HB2 H 1 2.678 . . 1 . . . . . . . . 4254 1 668 . 1 1 100 100 ASP HB3 H 1 2.464 . . 1 . . . . . . . . 4254 1 669 . 1 1 100 100 ASP N N 15 115.868 . . 1 . . . . . . . . 4254 1 670 . 1 1 101 101 PHE CA C 13 61.103 . . 1 . . . . . . . . 4254 1 671 . 1 1 101 101 PHE CB C 13 39.263 . . 1 . . . . . . . . 4254 1 672 . 1 1 101 101 PHE H H 1 7.151 . . 1 . . . . . . . . 4254 1 673 . 1 1 101 101 PHE HA H 1 4.008 . . 1 . . . . . . . . 4254 1 674 . 1 1 101 101 PHE HB2 H 1 2.501 . . 1 . . . . . . . . 4254 1 675 . 1 1 101 101 PHE HB3 H 1 2.501 . . 1 . . . . . . . . 4254 1 676 . 1 1 101 101 PHE N N 15 120.603 . . 1 . . . . . . . . 4254 1 677 . 1 1 102 102 THR CA C 13 60.054 . . 1 . . . . . . . . 4254 1 678 . 1 1 102 102 THR CB C 13 70.763 . . 1 . . . . . . . . 4254 1 679 . 1 1 102 102 THR H H 1 7.416 . . 1 . . . . . . . . 4254 1 680 . 1 1 102 102 THR HA H 1 4.25 . . 1 . . . . . . . . 4254 1 681 . 1 1 102 102 THR HB H 1 4.053 . . 1 . . . . . . . . 4254 1 682 . 1 1 102 102 THR HG21 H 1 1.042 . . 1 . . . . . . . . 4254 1 683 . 1 1 102 102 THR HG22 H 1 1.042 . . 1 . . . . . . . . 4254 1 684 . 1 1 102 102 THR HG23 H 1 1.042 . . 1 . . . . . . . . 4254 1 685 . 1 1 102 102 THR N N 15 121.714 . . 1 . . . . . . . . 4254 1 686 . 1 1 103 103 GLN CA C 13 55.432 . . 1 . . . . . . . . 4254 1 687 . 1 1 103 103 GLN CB C 13 30.243 . . 1 . . . . . . . . 4254 1 688 . 1 1 103 103 GLN CG C 13 34.139 . . 1 . . . . . . . . 4254 1 689 . 1 1 103 103 GLN H H 1 8.282 . . 1 . . . . . . . . 4254 1 690 . 1 1 103 103 GLN HA H 1 4.351 . . 1 . . . . . . . . 4254 1 691 . 1 1 103 103 GLN HB2 H 1 2.26 . . 1 . . . . . . . . 4254 1 692 . 1 1 103 103 GLN HB3 H 1 1.553 . . 1 . . . . . . . . 4254 1 693 . 1 1 103 103 GLN HE21 H 1 7.621 . . 1 . . . . . . . . 4254 1 694 . 1 1 103 103 GLN HE22 H 1 7.063 . . 1 . . . . . . . . 4254 1 695 . 1 1 103 103 GLN HG2 H 1 2.343 . . 1 . . . . . . . . 4254 1 696 . 1 1 103 103 GLN HG3 H 1 2.343 . . 1 . . . . . . . . 4254 1 697 . 1 1 103 103 GLN N N 15 122.242 . . 1 . . . . . . . . 4254 1 698 . 1 1 103 103 GLN NE2 N 15 112.816 . . 1 . . . . . . . . 4254 1 699 . 1 1 104 104 THR CA C 13 62.116 . . 1 . . . . . . . . 4254 1 700 . 1 1 104 104 THR CB C 13 69.704 . . 1 . . . . . . . . 4254 1 701 . 1 1 104 104 THR H H 1 8.43 . . 1 . . . . . . . . 4254 1 702 . 1 1 104 104 THR HA H 1 4.37 . . 1 . . . . . . . . 4254 1 703 . 1 1 104 104 THR HB H 1 4.33 . . 1 . . . . . . . . 4254 1 704 . 1 1 104 104 THR HG21 H 1 1.21 . . 1 . . . . . . . . 4254 1 705 . 1 1 104 104 THR HG22 H 1 1.21 . . 1 . . . . . . . . 4254 1 706 . 1 1 104 104 THR HG23 H 1 1.21 . . 1 . . . . . . . . 4254 1 707 . 1 1 104 104 THR N N 15 117.55 . . 1 . . . . . . . . 4254 1 708 . 1 1 105 105 ASP CA C 13 54.578 . . 1 . . . . . . . . 4254 1 709 . 1 1 105 105 ASP CB C 13 40.71 . . 1 . . . . . . . . 4254 1 710 . 1 1 105 105 ASP H H 1 8.363 . . 1 . . . . . . . . 4254 1 711 . 1 1 105 105 ASP HA H 1 4.561 . . 1 . . . . . . . . 4254 1 712 . 1 1 105 105 ASP HB2 H 1 2.683 . . 1 . . . . . . . . 4254 1 713 . 1 1 105 105 ASP HB3 H 1 2.683 . . 1 . . . . . . . . 4254 1 714 . 1 1 105 105 ASP N N 15 122.527 . . 1 . . . . . . . . 4254 1 715 . 1 1 106 106 GLY CA C 13 45.281 . . 1 . . . . . . . . 4254 1 716 . 1 1 106 106 GLY H H 1 8.496 . . 1 . . . . . . . . 4254 1 717 . 1 1 106 106 GLY HA2 H 1 3.984 . . 1 . . . . . . . . 4254 1 718 . 1 1 106 106 GLY N N 15 110.327 . . 1 . . . . . . . . 4254 1 719 . 1 1 107 107 SER CA C 13 58.651 . . 1 . . . . . . . . 4254 1 720 . 1 1 107 107 SER CB C 13 64.259 . . 1 . . . . . . . . 4254 1 721 . 1 1 107 107 SER H H 1 8.069 . . 1 . . . . . . . . 4254 1 722 . 1 1 107 107 SER HA H 1 4.428 . . 1 . . . . . . . . 4254 1 723 . 1 1 107 107 SER HB2 H 1 3.905 . . 1 . . . . . . . . 4254 1 724 . 1 1 107 107 SER HB3 H 1 3.905 . . 1 . . . . . . . . 4254 1 725 . 1 1 107 107 SER N N 15 116.455 . . 1 . . . . . . . . 4254 1 726 . 1 1 108 108 ALA CA C 13 52.072 . . 1 . . . . . . . . 4254 1 727 . 1 1 108 108 ALA CB C 13 19.245 . . 1 . . . . . . . . 4254 1 728 . 1 1 108 108 ALA H H 1 8.456 . . 1 . . . . . . . . 4254 1 729 . 1 1 108 108 ALA HB1 H 1 1.38 . . 2 . . . . . . . . 4254 1 730 . 1 1 108 108 ALA HB2 H 1 1.38 . . 2 . . . . . . . . 4254 1 731 . 1 1 108 108 ALA HB3 H 1 1.38 . . 2 . . . . . . . . 4254 1 732 . 1 1 108 108 ALA N N 15 125.579 . . 1 . . . . . . . . 4254 1 733 . 1 1 109 109 SER CA C 13 56.658 . . 1 . . . . . . . . 4254 1 734 . 1 1 109 109 SER CB C 13 62.967 . . 1 . . . . . . . . 4254 1 735 . 1 1 109 109 SER H H 1 8.52 . . 1 . . . . . . . . 4254 1 736 . 1 1 109 109 SER N N 15 117.255 . . 1 . . . . . . . . 4254 1 737 . 1 1 112 112 PRO CA C 13 62.177 . . 1 . . . . . . . . 4254 1 738 . 1 1 112 112 PRO CB C 13 31.7 . . 1 . . . . . . . . 4254 1 739 . 1 1 113 113 ALA CA C 13 50.266 . . 1 . . . . . . . . 4254 1 740 . 1 1 113 113 ALA CB C 13 17.217 . . 1 . . . . . . . . 4254 1 741 . 1 1 113 113 ALA H H 1 8.411 . . 1 . . . . . . . . 4254 1 742 . 1 1 113 113 ALA HA H 1 3.969 . . 1 . . . . . . . . 4254 1 743 . 1 1 113 113 ALA HB1 H 1 1.108 . . 2 . . . . . . . . 4254 1 744 . 1 1 113 113 ALA HB2 H 1 1.108 . . 2 . . . . . . . . 4254 1 745 . 1 1 113 113 ALA HB3 H 1 1.108 . . 2 . . . . . . . . 4254 1 746 . 1 1 113 113 ALA N N 15 125.002 . . 1 . . . . . . . . 4254 1 747 . 1 1 114 114 PRO CA C 13 62.567 . . 1 . . . . . . . . 4254 1 748 . 1 1 114 114 PRO CB C 13 31.954 . . 1 . . . . . . . . 4254 1 749 . 1 1 115 115 LYS CA C 13 56.243 . . 1 . . . . . . . . 4254 1 750 . 1 1 115 115 LYS CB C 13 32.806 . . 1 . . . . . . . . 4254 1 751 . 1 1 115 115 LYS H H 1 8.421 . . 1 . . . . . . . . 4254 1 752 . 1 1 115 115 LYS HA H 1 4.141 . . 1 . . . . . . . . 4254 1 753 . 1 1 115 115 LYS HB2 H 1 1.639 . . 1 . . . . . . . . 4254 1 754 . 1 1 115 115 LYS HB3 H 1 1.335 . . 1 . . . . . . . . 4254 1 755 . 1 1 115 115 LYS N N 15 121.722 . . 1 . . . . . . . . 4254 1 756 . 1 1 117 117 HIS CA C 13 56.205 . . 1 . . . . . . . . 4254 1 757 . 1 1 117 117 HIS CB C 13 30.259 . . 1 . . . . . . . . 4254 1 758 . 1 1 118 118 HIS CA C 13 56.303 . . 1 . . . . . . . . 4254 1 759 . 1 1 118 118 HIS CB C 13 30.859 . . 1 . . . . . . . . 4254 1 760 . 1 1 118 118 HIS H H 1 8.262 . . 1 . . . . . . . . 4254 1 761 . 1 1 118 118 HIS HA H 1 4.839 . . 1 . . . . . . . . 4254 1 762 . 1 1 118 118 HIS HB2 H 1 3 . . 1 . . . . . . . . 4254 1 763 . 1 1 118 118 HIS HB3 H 1 3 . . 1 . . . . . . . . 4254 1 764 . 1 1 118 118 HIS N N 15 119.781 . . 1 . . . . . . . . 4254 1 765 . 1 1 119 119 ALA CA C 13 52.496 . . 1 . . . . . . . . 4254 1 766 . 1 1 119 119 ALA CB C 13 19.035 . . 1 . . . . . . . . 4254 1 767 . 1 1 119 119 ALA H H 1 8.364 . . 1 . . . . . . . . 4254 1 768 . 1 1 119 119 ALA HA H 1 4.397 . . 1 . . . . . . . . 4254 1 769 . 1 1 119 119 ALA HB1 H 1 1.381 . . 1 . . . . . . . . 4254 1 770 . 1 1 119 119 ALA HB2 H 1 1.381 . . 1 . . . . . . . . 4254 1 771 . 1 1 119 119 ALA HB3 H 1 1.381 . . 1 . . . . . . . . 4254 1 772 . 1 1 119 119 ALA N N 15 125.857 . . 1 . . . . . . . . 4254 1 773 . 1 1 120 120 SER CA C 13 58.257 . . 1 . . . . . . . . 4254 1 774 . 1 1 120 120 SER CB C 13 63.547 . . 1 . . . . . . . . 4254 1 775 . 1 1 120 120 SER H H 1 8.354 . . 1 . . . . . . . . 4254 1 776 . 1 1 120 120 SER N N 15 114.942 . . 1 . . . . . . . . 4254 1 777 . 1 1 121 121 LYS CA C 13 56.435 . . 1 . . . . . . . . 4254 1 778 . 1 1 121 121 LYS CB C 13 32.76 . . 1 . . . . . . . . 4254 1 779 . 1 1 121 121 LYS H H 1 8.462 . . 1 . . . . . . . . 4254 1 780 . 1 1 121 121 LYS HA H 1 4.3 . . 1 . . . . . . . . 4254 1 781 . 1 1 121 121 LYS N N 15 123.65 . . 1 . . . . . . . . 4254 1 782 . 1 1 122 122 VAL CA C 13 62.404 . . 1 . . . . . . . . 4254 1 783 . 1 1 122 122 VAL CB C 13 32.651 . . 1 . . . . . . . . 4254 1 784 . 1 1 122 122 VAL H H 1 8.138 . . 1 . . . . . . . . 4254 1 785 . 1 1 122 122 VAL HA H 1 4.016 . . 1 . . . . . . . . 4254 1 786 . 1 1 122 122 VAL HB H 1 2.021 . . 1 . . . . . . . . 4254 1 787 . 1 1 122 122 VAL HG11 H 1 0.887 . . 1 . . . . . . . . 4254 1 788 . 1 1 122 122 VAL HG12 H 1 0.887 . . 1 . . . . . . . . 4254 1 789 . 1 1 122 122 VAL HG13 H 1 0.887 . . 1 . . . . . . . . 4254 1 790 . 1 1 122 122 VAL N N 15 120.889 . . 1 . . . . . . . . 4254 1 791 . 1 1 123 123 ASP CA C 13 54.286 . . 1 . . . . . . . . 4254 1 792 . 1 1 123 123 ASP CB C 13 41.041 . . 1 . . . . . . . . 4254 1 793 . 1 1 123 123 ASP H H 1 8.377 . . 1 . . . . . . . . 4254 1 794 . 1 1 123 123 ASP HA H 1 4.578 . . 1 . . . . . . . . 4254 1 795 . 1 1 123 123 ASP HB2 H 1 2.65 . . 1 . . . . . . . . 4254 1 796 . 1 1 123 123 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 4254 1 797 . 1 1 123 123 ASP N N 15 124.492 . . 1 . . . . . . . . 4254 1 798 . 1 1 124 124 LYS CA C 13 56.991 . . 1 . . . . . . . . 4254 1 799 . 1 1 124 124 LYS CB C 13 32.677 . . 1 . . . . . . . . 4254 1 800 . 1 1 124 124 LYS H H 1 8.356 . . 1 . . . . . . . . 4254 1 801 . 1 1 124 124 LYS HA H 1 4.173 . . 1 . . . . . . . . 4254 1 802 . 1 1 124 124 LYS HB2 H 1 1.784 . . 1 . . . . . . . . 4254 1 803 . 1 1 124 124 LYS HB3 H 1 1.784 . . 1 . . . . . . . . 4254 1 804 . 1 1 124 124 LYS N N 15 122.535 . . 1 . . . . . . . . 4254 1 805 . 1 1 125 125 LEU CA C 13 55.527 . . 1 . . . . . . . . 4254 1 806 . 1 1 125 125 LEU CB C 13 41.767 . . 1 . . . . . . . . 4254 1 807 . 1 1 125 125 LEU H H 1 8.236 . . 1 . . . . . . . . 4254 1 808 . 1 1 125 125 LEU HA H 1 4.269 . . 1 . . . . . . . . 4254 1 809 . 1 1 125 125 LEU HB2 H 1 1.708 . . 1 . . . . . . . . 4254 1 810 . 1 1 125 125 LEU HB3 H 1 1.708 . . 1 . . . . . . . . 4254 1 811 . 1 1 125 125 LEU HD11 H 1 0.881 . . 1 . . . . . . . . 4254 1 812 . 1 1 125 125 LEU HD12 H 1 0.881 . . 1 . . . . . . . . 4254 1 813 . 1 1 125 125 LEU HD13 H 1 0.881 . . 1 . . . . . . . . 4254 1 814 . 1 1 125 125 LEU HG H 1 1.564 . . 1 . . . . . . . . 4254 1 815 . 1 1 125 125 LEU N N 15 122.25 . . 1 . . . . . . . . 4254 1 816 . 1 1 126 126 ALA CA C 13 52.892 . . 1 . . . . . . . . 4254 1 817 . 1 1 126 126 ALA CB C 13 18.872 . . 1 . . . . . . . . 4254 1 818 . 1 1 126 126 ALA H H 1 8.068 . . 1 . . . . . . . . 4254 1 819 . 1 1 126 126 ALA HA H 1 4.183 . . 1 . . . . . . . . 4254 1 820 . 1 1 126 126 ALA HB1 H 1 1.387 . . 1 . . . . . . . . 4254 1 821 . 1 1 126 126 ALA HB2 H 1 1.387 . . 1 . . . . . . . . 4254 1 822 . 1 1 126 126 ALA HB3 H 1 1.387 . . 1 . . . . . . . . 4254 1 823 . 1 1 126 126 ALA N N 15 123.975 . . 1 . . . . . . . . 4254 1 824 . 1 1 127 127 ALA CA C 13 52.615 . . 1 . . . . . . . . 4254 1 825 . 1 1 127 127 ALA CB C 13 18.823 . . 1 . . . . . . . . 4254 1 826 . 1 1 127 127 ALA H H 1 8.065 . . 1 . . . . . . . . 4254 1 827 . 1 1 127 127 ALA HA H 1 4.251 . . 1 . . . . . . . . 4254 1 828 . 1 1 127 127 ALA HB1 H 1 1.396 . . 1 . . . . . . . . 4254 1 829 . 1 1 127 127 ALA HB2 H 1 1.396 . . 1 . . . . . . . . 4254 1 830 . 1 1 127 127 ALA HB3 H 1 1.396 . . 1 . . . . . . . . 4254 1 831 . 1 1 127 127 ALA N N 15 121.972 . . 1 . . . . . . . . 4254 1 832 . 1 1 128 128 ALA CA C 13 52.695 . . 1 . . . . . . . . 4254 1 833 . 1 1 128 128 ALA CB C 13 18.826 . . 1 . . . . . . . . 4254 1 834 . 1 1 128 128 ALA H H 1 8.149 . . 1 . . . . . . . . 4254 1 835 . 1 1 128 128 ALA HA H 1 4.216 . . 1 . . . . . . . . 4254 1 836 . 1 1 128 128 ALA HB1 H 1 1.373 . . 1 . . . . . . . . 4254 1 837 . 1 1 128 128 ALA HB2 H 1 1.373 . . 1 . . . . . . . . 4254 1 838 . 1 1 128 128 ALA HB3 H 1 1.373 . . 1 . . . . . . . . 4254 1 839 . 1 1 128 128 ALA N N 15 122.503 . . 1 . . . . . . . . 4254 1 840 . 1 1 129 129 LEU CA C 13 55.235 . . 1 . . . . . . . . 4254 1 841 . 1 1 129 129 LEU CB C 13 42.12 . . 1 . . . . . . . . 4254 1 842 . 1 1 129 129 LEU H H 1 8.038 . . 1 . . . . . . . . 4254 1 843 . 1 1 129 129 LEU HA H 1 4.235 . . 1 . . . . . . . . 4254 1 844 . 1 1 129 129 LEU HB2 H 1 1.646 . . 1 . . . . . . . . 4254 1 845 . 1 1 129 129 LEU HB3 H 1 1.503 . . 1 . . . . . . . . 4254 1 846 . 1 1 129 129 LEU HD11 H 1 0.864 . . 1 . . . . . . . . 4254 1 847 . 1 1 129 129 LEU HD12 H 1 0.864 . . 1 . . . . . . . . 4254 1 848 . 1 1 129 129 LEU HD13 H 1 0.864 . . 1 . . . . . . . . 4254 1 849 . 1 1 129 129 LEU N N 15 120.579 . . 1 . . . . . . . . 4254 1 850 . 1 1 130 130 GLU CA C 13 56.453 . . 1 . . . . . . . . 4254 1 851 . 1 1 130 130 GLU CB C 13 30.237 . . 1 . . . . . . . . 4254 1 852 . 1 1 130 130 GLU H H 1 8.172 . . 1 . . . . . . . . 4254 1 853 . 1 1 130 130 GLU HA H 1 4.162 . . 1 . . . . . . . . 4254 1 854 . 1 1 130 130 GLU HB2 H 1 2.155 . . 1 . . . . . . . . 4254 1 855 . 1 1 130 130 GLU HB3 H 1 1.88 . . 1 . . . . . . . . 4254 1 856 . 1 1 130 130 GLU N N 15 120.585 . . 1 . . . . . . . . 4254 1 stop_ save_