data_4249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4249 _Entry.Title ; Solution Structure of the DNA- and RPA-binding Domain of the Human Repair Factor XPA ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-10-17 _Entry.Accession_date 1998-10-17 _Entry.Last_release_date 1999-08-06 _Entry.Original_release_date 1999-08-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takahisa Ikegami . . . 4249 2 Isao Kuraoka . . . 4249 3 Masafumi Saijo . . . 4249 4 Naohiko Kodo . . . 4249 5 Yoshimasa Kyogoku . . . 4249 6 Kosuke Morikawa . . . 4249 7 Kiyoji Tanaka . . . 4249 8 Masahiro Shirakawa . . . 4249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4249 coupling_constants 1 4249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 500 4249 '15N chemical shifts' 120 4249 '1H chemical shifts' 724 4249 'coupling constants' 89 4249 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 . . 1999-08-06 1998-10-17 original author . 4249 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98363214 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Ikegami, T., Kuraoka, I., Saijo, M., Kodo, N., Kyogoku, Y., Morikawa, K., Tanaka, K., and Shirakawa, M., "Solution Structure of the DNA- and RPA-binding Domain of the Human Repair Factor XPA," Nat. Struct. Biol. 5, 701-706 (1998). ; _Citation.Title ; Solution Structure of the DNA- and RPA-binding Domain of the Human Repair Factor XPA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 8 _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 701 _Citation.Page_last 706 _Citation.Year 1998 _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 Takahisa Ikegami . . . 4249 1 2 Isao Kuraoka . . . 4249 1 3 Masafumi Saijo . . . 4249 1 4 Naohiko Kodo . . . 4249 1 5 Yoshimasa Kyogoku . . . 4249 1 6 Kosuke Morikawa . . . 4249 1 7 Kiyoji Tanaka . . . 4249 1 8 Masahiro Shirakawa . . . 4249 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4249 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Cavanagh, J., Fairbrother, W. J., Palmer III, A. G., and Skelton, N. J. Protein NMR Spectroscopy, p. 176, Academic Press, Inc. (1996). ; _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_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4249 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation 'Delaglio, F. et al. (1994) J. Biomol. NMR 6, 277-293.' _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _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 3 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F Delaglio F. . . 4249 3 2 S Grzesiek S. . . 4249 3 3 'G W' Vuister G. W. . 4249 3 4 G Zhu G. . . 4249 3 5 J Pfeifer J. . . 4249 3 6 A Bax A. . . 4249 3 stop_ save_ save_citation_three _Citation.Sf_category citations _Citation.Sf_framecode citation_three _Citation.Entry_ID 4249 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Garrett, D.S. (1991) J. Magn. Reson. 95, 214-220.' _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_XPA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_XPA _Assembly.Entry_ID 4249 _Assembly.ID 1 _Assembly.Name 'Human NER factor XPA' _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 4249 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 XPA 1 $XPA . . . native . . . . . 4249 1 2 Zn 2 $ZN . . . native . . . . . 4249 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 1XPA . 'Solution Structure Of The Dna- And Rpa-Binding Domain Of The Human Repair Factor Xpa, Nmr, 1 Structure' . . . . 4249 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human NER factor XPA' system 4249 1 XPA abbreviation 4249 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Involved in the nucleotide excision repair' 4249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XPA _Entity.Sf_category entity _Entity.Sf_framecode XPA _Entity.Entry_ID 4249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XPA _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 ; MEFDYVICEECGKEFMDSYL MNHFDLPTCDNCRDADDKHK LITKTEAKQEYLLKDCDLEK REPPLKFIVKKNPHHSQWGD MKLYLKLQIVKRSLEVWGSQ EALEEAKEVRQENREKMKQK KF ; _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 122 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1D4U . "Interactions Of Human Nucleotide Excision Repair Protein Xpa With Rpa70 And Dna: Chemical Shift Mapping And 15n Nmr Relaxation " . . . . . 90.98 111 98.20 100.00 1.28e-73 . . . . 4249 1 2 no PDB 1XPA . "Solution Structure Of The Dna-And Rpa-Binding Domain Of The Human Repair Factor Xpa, Nmr, 1 Structure" . . . . . 100.00 122 100.00 100.00 3.52e-83 . . . . 4249 1 3 no DBJ BAA03403 . "XPAC protein [Homo sapiens]" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 4 no DBJ BAJ20553 . "xeroderma pigmentosum, complementation group A [synthetic construct]" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 5 no GB AAA92883 . "XPAC, partial [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 1.86e-82 . . . . 4249 1 6 no GB AAH14965 . "Xeroderma pigmentosum, complementation group A [Homo sapiens]" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 7 no GB AAM18969 . "xeroderma pigmentosum, complementation group A [Homo sapiens]" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 8 no GB AAV38325 . "xeroderma pigmentosum, complementation group A [Homo sapiens]" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 9 no GB AAX29766 . "xeroderma pigmentosum complementation group A [synthetic construct]" . . . . . 100.00 274 99.18 99.18 1.70e-82 . . . . 4249 1 10 no PRF 1701435A . "DNA excision repair gene" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 11 no REF NP_000371 . "DNA repair protein complementing XP-A cells [Homo sapiens]" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 12 no REF XP_001114093 . "PREDICTED: DNA repair protein complementing XP-A cells [Macaca mulatta]" . . . . . 100.00 273 100.00 100.00 2.41e-83 . . . . 4249 1 13 no REF XP_001156167 . "PREDICTED: DNA repair protein complementing XP-A cells isoform X2 [Pan troglodytes]" . . . . . 100.00 273 100.00 100.00 1.89e-83 . . . . 4249 1 14 no REF XP_002743160 . "PREDICTED: DNA repair protein complementing XP-A cells [Callithrix jacchus]" . . . . . 100.00 272 99.18 99.18 2.47e-82 . . . . 4249 1 15 no REF XP_002820062 . "PREDICTED: DNA repair protein complementing XP-A cells [Pongo abelii]" . . . . . 100.00 273 100.00 100.00 2.30e-83 . . . . 4249 1 16 no SP P23025 . "RecName: Full=DNA repair protein complementing XP-A cells; AltName: Full=Xeroderma pigmentosum group A-complementing protein" . . . . . 100.00 273 100.00 100.00 1.87e-83 . . . . 4249 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID XPA abbreviation 4249 1 XPA common 4249 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 98 MET . 4249 1 2 99 GLU . 4249 1 3 100 PHE . 4249 1 4 101 ASP . 4249 1 5 102 TYR . 4249 1 6 103 VAL . 4249 1 7 104 ILE . 4249 1 8 105 CYS . 4249 1 9 106 GLU . 4249 1 10 107 GLU . 4249 1 11 108 CYS . 4249 1 12 109 GLY . 4249 1 13 110 LYS . 4249 1 14 111 GLU . 4249 1 15 112 PHE . 4249 1 16 113 MET . 4249 1 17 114 ASP . 4249 1 18 115 SER . 4249 1 19 116 TYR . 4249 1 20 117 LEU . 4249 1 21 118 MET . 4249 1 22 119 ASN . 4249 1 23 120 HIS . 4249 1 24 121 PHE . 4249 1 25 122 ASP . 4249 1 26 123 LEU . 4249 1 27 124 PRO . 4249 1 28 125 THR . 4249 1 29 126 CYS . 4249 1 30 127 ASP . 4249 1 31 128 ASN . 4249 1 32 129 CYS . 4249 1 33 130 ARG . 4249 1 34 131 ASP . 4249 1 35 132 ALA . 4249 1 36 133 ASP . 4249 1 37 134 ASP . 4249 1 38 135 LYS . 4249 1 39 136 HIS . 4249 1 40 137 LYS . 4249 1 41 138 LEU . 4249 1 42 139 ILE . 4249 1 43 140 THR . 4249 1 44 141 LYS . 4249 1 45 142 THR . 4249 1 46 143 GLU . 4249 1 47 144 ALA . 4249 1 48 145 LYS . 4249 1 49 146 GLN . 4249 1 50 147 GLU . 4249 1 51 148 TYR . 4249 1 52 149 LEU . 4249 1 53 150 LEU . 4249 1 54 151 LYS . 4249 1 55 152 ASP . 4249 1 56 153 CYS . 4249 1 57 154 ASP . 4249 1 58 155 LEU . 4249 1 59 156 GLU . 4249 1 60 157 LYS . 4249 1 61 158 ARG . 4249 1 62 159 GLU . 4249 1 63 160 PRO . 4249 1 64 161 PRO . 4249 1 65 162 LEU . 4249 1 66 163 LYS . 4249 1 67 164 PHE . 4249 1 68 165 ILE . 4249 1 69 166 VAL . 4249 1 70 167 LYS . 4249 1 71 168 LYS . 4249 1 72 169 ASN . 4249 1 73 170 PRO . 4249 1 74 171 HIS . 4249 1 75 172 HIS . 4249 1 76 173 SER . 4249 1 77 174 GLN . 4249 1 78 175 TRP . 4249 1 79 176 GLY . 4249 1 80 177 ASP . 4249 1 81 178 MET . 4249 1 82 179 LYS . 4249 1 83 180 LEU . 4249 1 84 181 TYR . 4249 1 85 182 LEU . 4249 1 86 183 LYS . 4249 1 87 184 LEU . 4249 1 88 185 GLN . 4249 1 89 186 ILE . 4249 1 90 187 VAL . 4249 1 91 188 LYS . 4249 1 92 189 ARG . 4249 1 93 190 SER . 4249 1 94 191 LEU . 4249 1 95 192 GLU . 4249 1 96 193 VAL . 4249 1 97 194 TRP . 4249 1 98 195 GLY . 4249 1 99 196 SER . 4249 1 100 197 GLN . 4249 1 101 198 GLU . 4249 1 102 199 ALA . 4249 1 103 200 LEU . 4249 1 104 201 GLU . 4249 1 105 202 GLU . 4249 1 106 203 ALA . 4249 1 107 204 LYS . 4249 1 108 205 GLU . 4249 1 109 206 VAL . 4249 1 110 207 ARG . 4249 1 111 208 GLN . 4249 1 112 209 GLU . 4249 1 113 210 ASN . 4249 1 114 211 ARG . 4249 1 115 212 GLU . 4249 1 116 213 LYS . 4249 1 117 214 MET . 4249 1 118 215 LYS . 4249 1 119 216 GLN . 4249 1 120 217 LYS . 4249 1 121 218 LYS . 4249 1 122 219 PHE . 4249 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 4249 1 . GLU 2 2 4249 1 . PHE 3 3 4249 1 . ASP 4 4 4249 1 . TYR 5 5 4249 1 . VAL 6 6 4249 1 . ILE 7 7 4249 1 . CYS 8 8 4249 1 . GLU 9 9 4249 1 . GLU 10 10 4249 1 . CYS 11 11 4249 1 . GLY 12 12 4249 1 . LYS 13 13 4249 1 . GLU 14 14 4249 1 . PHE 15 15 4249 1 . MET 16 16 4249 1 . ASP 17 17 4249 1 . SER 18 18 4249 1 . TYR 19 19 4249 1 . LEU 20 20 4249 1 . MET 21 21 4249 1 . ASN 22 22 4249 1 . HIS 23 23 4249 1 . PHE 24 24 4249 1 . ASP 25 25 4249 1 . LEU 26 26 4249 1 . PRO 27 27 4249 1 . THR 28 28 4249 1 . CYS 29 29 4249 1 . ASP 30 30 4249 1 . ASN 31 31 4249 1 . CYS 32 32 4249 1 . ARG 33 33 4249 1 . ASP 34 34 4249 1 . ALA 35 35 4249 1 . ASP 36 36 4249 1 . ASP 37 37 4249 1 . LYS 38 38 4249 1 . HIS 39 39 4249 1 . LYS 40 40 4249 1 . LEU 41 41 4249 1 . ILE 42 42 4249 1 . THR 43 43 4249 1 . LYS 44 44 4249 1 . THR 45 45 4249 1 . GLU 46 46 4249 1 . ALA 47 47 4249 1 . LYS 48 48 4249 1 . GLN 49 49 4249 1 . GLU 50 50 4249 1 . TYR 51 51 4249 1 . LEU 52 52 4249 1 . LEU 53 53 4249 1 . LYS 54 54 4249 1 . ASP 55 55 4249 1 . CYS 56 56 4249 1 . ASP 57 57 4249 1 . LEU 58 58 4249 1 . GLU 59 59 4249 1 . LYS 60 60 4249 1 . ARG 61 61 4249 1 . GLU 62 62 4249 1 . PRO 63 63 4249 1 . PRO 64 64 4249 1 . LEU 65 65 4249 1 . LYS 66 66 4249 1 . PHE 67 67 4249 1 . ILE 68 68 4249 1 . VAL 69 69 4249 1 . LYS 70 70 4249 1 . LYS 71 71 4249 1 . ASN 72 72 4249 1 . PRO 73 73 4249 1 . HIS 74 74 4249 1 . HIS 75 75 4249 1 . SER 76 76 4249 1 . GLN 77 77 4249 1 . TRP 78 78 4249 1 . GLY 79 79 4249 1 . ASP 80 80 4249 1 . MET 81 81 4249 1 . LYS 82 82 4249 1 . LEU 83 83 4249 1 . TYR 84 84 4249 1 . LEU 85 85 4249 1 . LYS 86 86 4249 1 . LEU 87 87 4249 1 . GLN 88 88 4249 1 . ILE 89 89 4249 1 . VAL 90 90 4249 1 . LYS 91 91 4249 1 . ARG 92 92 4249 1 . SER 93 93 4249 1 . LEU 94 94 4249 1 . GLU 95 95 4249 1 . VAL 96 96 4249 1 . TRP 97 97 4249 1 . GLY 98 98 4249 1 . SER 99 99 4249 1 . GLN 100 100 4249 1 . GLU 101 101 4249 1 . ALA 102 102 4249 1 . LEU 103 103 4249 1 . GLU 104 104 4249 1 . GLU 105 105 4249 1 . ALA 106 106 4249 1 . LYS 107 107 4249 1 . GLU 108 108 4249 1 . VAL 109 109 4249 1 . ARG 110 110 4249 1 . GLN 111 111 4249 1 . GLU 112 112 4249 1 . ASN 113 113 4249 1 . ARG 114 114 4249 1 . GLU 115 115 4249 1 . LYS 116 116 4249 1 . MET 117 117 4249 1 . LYS 118 118 4249 1 . GLN 119 119 4249 1 . LYS 120 120 4249 1 . LYS 121 121 4249 1 . PHE 122 122 4249 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4249 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 4249 2 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 4249 _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 $XPA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4249 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 4249 _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 $XPA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET16b . . . ; E.coli cells of strain BL21(DE3) transformed with the plasmids which carried the central domain of XPA (Met98-Phe219) under the control of T7 phi 10 promoter were used. ; . . 4249 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4249 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:20:29 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 4249 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4249 ZN [Zn++] SMILES CACTVS 3.341 4249 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4249 ZN [Zn+2] SMILES ACDLabs 10.04 4249 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4249 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4249 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4249 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4249 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4249 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4249 _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 'Human NER factor XPA' '[U-13C; U-15N]' 1 $system_XPA . . . . 1.2 . . mM . . . . 4249 1 2 zinc . . . 2 $ZN . . 0.02 . . mM . . . . 4249 1 3 KCl . . . . . . . 150 . . mM . . . . 4249 1 4 DTT . . . . . . . 10 . . mM . . . . 4249 1 5 'Deuterated Tris-HCl' . . . . . . . 50 . . mM . . . . 4249 1 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 4249 _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 7.3 0.2 n/a 4249 1 pressure 1 . atm 4249 1 temperature 303 0.2 K 4249 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4249 _Software.ID 1 _Software.Name NMRPIPE _Software.Version 1.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 4249 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_two 4249 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4249 _Software.ID 2 _Software.Name PIPP _Software.Version 4.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Peak picker' 4249 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $citation_three 4249 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4249 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4249 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4249 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DMX500 . 500 . . . 4249 1 2 NMR_spectrometer_two Bruker DRX500 . 500 . . . 4249 1 3 NMR_spectrometer_three Bruker DRX800 . 800 . . . 4249 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 4249 _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 $NMR_applied_experiment_one . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4249 1 stop_ save_ save_NMR_applied_experiment_one _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment_one _NMR_spec_expt.Entry_ID 4249 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '3D-4D Multi-dimensional experiments' 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 4249 _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 0.25144952 . . . . . . . . . 4249 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . . . . . 4249 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.10132905 . . . . . . . . . 4249 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4249 _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 . 1 $sample_one . 4249 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 1 1 MET HA H 1 4.21 . . 1 . . . . . . . . 4249 1 2 . 1 1 1 1 MET HB2 H 1 2.05 . . 2 . . . . . . . . 4249 1 3 . 1 1 1 1 MET HB3 H 1 3.15 . . 2 . . . . . . . . 4249 1 4 . 1 1 1 1 MET HG2 H 1 2.35 . . 2 . . . . . . . . 4249 1 5 . 1 1 1 1 MET HE1 H 1 2.00 . . 1 . . . . . . . . 4249 1 6 . 1 1 1 1 MET HE2 H 1 2.00 . . 1 . . . . . . . . 4249 1 7 . 1 1 1 1 MET HE3 H 1 2.00 . . 1 . . . . . . . . 4249 1 8 . 1 1 1 1 MET C C 13 176.43 . . 1 . . . . . . . . 4249 1 9 . 1 1 1 1 MET CA C 13 56.92 . . 1 . . . . . . . . 4249 1 10 . 1 1 1 1 MET CB C 13 28.81 . . 1 . . . . . . . . 4249 1 11 . 1 1 1 1 MET CG C 13 30.53 . . 1 . . . . . . . . 4249 1 12 . 1 1 1 1 MET CE C 13 16.83 . . 1 . . . . . . . . 4249 1 13 . 1 1 2 2 GLU HA H 1 4.15 . . 1 . . . . . . . . 4249 1 14 . 1 1 2 2 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 4249 1 15 . 1 1 2 2 GLU HG2 H 1 2.01 . . 2 . . . . . . . . 4249 1 16 . 1 1 2 2 GLU C C 13 175.38 . . 1 . . . . . . . . 4249 1 17 . 1 1 2 2 GLU CA C 13 56.49 . . 1 . . . . . . . . 4249 1 18 . 1 1 2 2 GLU CB C 13 29.99 . . 1 . . . . . . . . 4249 1 19 . 1 1 2 2 GLU CG C 13 36.11 . . 1 . . . . . . . . 4249 1 20 . 1 1 3 3 PHE H H 1 7.98 . . 1 . . . . . . . . 4249 1 21 . 1 1 3 3 PHE HA H 1 4.53 . . 1 . . . . . . . . 4249 1 22 . 1 1 3 3 PHE HB2 H 1 2.90 . . 2 . . . . . . . . 4249 1 23 . 1 1 3 3 PHE HB3 H 1 2.67 . . 2 . . . . . . . . 4249 1 24 . 1 1 3 3 PHE HD1 H 1 7.10 . . 3 . . . . . . . . 4249 1 25 . 1 1 3 3 PHE HE1 H 1 6.71 . . 3 . . . . . . . . 4249 1 26 . 1 1 3 3 PHE HZ H 1 7.20 . . 1 . . . . . . . . 4249 1 27 . 1 1 3 3 PHE C C 13 174.62 . . 1 . . . . . . . . 4249 1 28 . 1 1 3 3 PHE CA C 13 56.88 . . 1 . . . . . . . . 4249 1 29 . 1 1 3 3 PHE CB C 13 40.10 . . 1 . . . . . . . . 4249 1 30 . 1 1 3 3 PHE CD1 C 13 131.90 . . 1 . . . . . . . . 4249 1 31 . 1 1 3 3 PHE N N 15 120.02 . . 1 . . . . . . . . 4249 1 32 . 1 1 4 4 ASP H H 1 8.14 . . 1 . . . . . . . . 4249 1 33 . 1 1 4 4 ASP HA H 1 4.58 . . 1 . . . . . . . . 4249 1 34 . 1 1 4 4 ASP HB2 H 1 2.54 . . 2 . . . . . . . . 4249 1 35 . 1 1 4 4 ASP HB3 H 1 2.39 . . 2 . . . . . . . . 4249 1 36 . 1 1 4 4 ASP C C 13 174.97 . . 1 . . . . . . . . 4249 1 37 . 1 1 4 4 ASP CA C 13 53.83 . . 1 . . . . . . . . 4249 1 38 . 1 1 4 4 ASP CB C 13 41.39 . . 1 . . . . . . . . 4249 1 39 . 1 1 4 4 ASP N N 15 121.73 . . 1 . . . . . . . . 4249 1 40 . 1 1 5 5 TYR H H 1 7.65 . . 1 . . . . . . . . 4249 1 41 . 1 1 5 5 TYR HA H 1 4.49 . . 1 . . . . . . . . 4249 1 42 . 1 1 5 5 TYR HB2 H 1 2.76 . . 2 . . . . . . . . 4249 1 43 . 1 1 5 5 TYR HB3 H 1 2.65 . . 2 . . . . . . . . 4249 1 44 . 1 1 5 5 TYR HD1 H 1 6.83 . . 3 . . . . . . . . 4249 1 45 . 1 1 5 5 TYR HE1 H 1 6.72 . . 3 . . . . . . . . 4249 1 46 . 1 1 5 5 TYR C C 13 174.91 . . 1 . . . . . . . . 4249 1 47 . 1 1 5 5 TYR CA C 13 57.46 . . 1 . . . . . . . . 4249 1 48 . 1 1 5 5 TYR CB C 13 39.84 . . 1 . . . . . . . . 4249 1 49 . 1 1 5 5 TYR N N 15 118.42 . . 1 . . . . . . . . 4249 1 50 . 1 1 6 6 VAL H H 1 8.53 . . 1 . . . . . . . . 4249 1 51 . 1 1 6 6 VAL HA H 1 3.93 . . 1 . . . . . . . . 4249 1 52 . 1 1 6 6 VAL HB H 1 0.66 . . 1 . . . . . . . . 4249 1 53 . 1 1 6 6 VAL HG11 H 1 0.62 . . 1 . . . . . . . . 4249 1 54 . 1 1 6 6 VAL HG12 H 1 0.62 . . 1 . . . . . . . . 4249 1 55 . 1 1 6 6 VAL HG13 H 1 0.62 . . 1 . . . . . . . . 4249 1 56 . 1 1 6 6 VAL HG21 H 1 0.39 . . 1 . . . . . . . . 4249 1 57 . 1 1 6 6 VAL HG22 H 1 0.39 . . 1 . . . . . . . . 4249 1 58 . 1 1 6 6 VAL HG23 H 1 0.39 . . 1 . . . . . . . . 4249 1 59 . 1 1 6 6 VAL C C 13 173.58 . . 1 . . . . . . . . 4249 1 60 . 1 1 6 6 VAL CA C 13 60.45 . . 1 . . . . . . . . 4249 1 61 . 1 1 6 6 VAL CB C 13 33.15 . . 1 . . . . . . . . 4249 1 62 . 1 1 6 6 VAL CG1 C 13 22.99 . . 1 . . . . . . . . 4249 1 63 . 1 1 6 6 VAL CG2 C 13 20.84 . . 1 . . . . . . . . 4249 1 64 . 1 1 6 6 VAL N N 15 122.45 . . 1 . . . . . . . . 4249 1 65 . 1 1 7 7 ILE H H 1 7.84 . . 1 . . . . . . . . 4249 1 66 . 1 1 7 7 ILE HA H 1 4.26 . . 1 . . . . . . . . 4249 1 67 . 1 1 7 7 ILE HB H 1 1.74 . . 1 . . . . . . . . 4249 1 68 . 1 1 7 7 ILE HG12 H 1 1.43 . . 2 . . . . . . . . 4249 1 69 . 1 1 7 7 ILE HG13 H 1 1.17 . . 2 . . . . . . . . 4249 1 70 . 1 1 7 7 ILE HG21 H 1 0.69 . . 1 . . . . . . . . 4249 1 71 . 1 1 7 7 ILE HG22 H 1 0.69 . . 1 . . . . . . . . 4249 1 72 . 1 1 7 7 ILE HG23 H 1 0.69 . . 1 . . . . . . . . 4249 1 73 . 1 1 7 7 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4249 1 74 . 1 1 7 7 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4249 1 75 . 1 1 7 7 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4249 1 76 . 1 1 7 7 ILE C C 13 175.83 . . 1 . . . . . . . . 4249 1 77 . 1 1 7 7 ILE CA C 13 59.15 . . 1 . . . . . . . . 4249 1 78 . 1 1 7 7 ILE CB C 13 37.84 . . 1 . . . . . . . . 4249 1 79 . 1 1 7 7 ILE CG1 C 13 27.47 . . 1 . . . . . . . . 4249 1 80 . 1 1 7 7 ILE CG2 C 13 17.19 . . 1 . . . . . . . . 4249 1 81 . 1 1 7 7 ILE CD1 C 13 11.74 . . 1 . . . . . . . . 4249 1 82 . 1 1 7 7 ILE N N 15 123.78 . . 1 . . . . . . . . 4249 1 83 . 1 1 8 8 CYS H H 1 8.77 . . 1 . . . . . . . . 4249 1 84 . 1 1 8 8 CYS HA H 1 4.72 . . 1 . . . . . . . . 4249 1 85 . 1 1 8 8 CYS HB2 H 1 2.88 . . 2 . . . . . . . . 4249 1 86 . 1 1 8 8 CYS HB3 H 1 3.54 . . 2 . . . . . . . . 4249 1 87 . 1 1 8 8 CYS C C 13 178.22 . . 1 . . . . . . . . 4249 1 88 . 1 1 8 8 CYS CA C 13 59.76 . . 1 . . . . . . . . 4249 1 89 . 1 1 8 8 CYS CB C 13 30.95 . . 1 . . . . . . . . 4249 1 90 . 1 1 8 8 CYS N N 15 128.79 . . 1 . . . . . . . . 4249 1 91 . 1 1 9 9 GLU H H 1 9.43 . . 1 . . . . . . . . 4249 1 92 . 1 1 9 9 GLU HA H 1 4.21 . . 1 . . . . . . . . 4249 1 93 . 1 1 9 9 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 4249 1 94 . 1 1 9 9 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 4249 1 95 . 1 1 9 9 GLU C C 13 176.12 . . 1 . . . . . . . . 4249 1 96 . 1 1 9 9 GLU CA C 13 58.28 . . 1 . . . . . . . . 4249 1 97 . 1 1 9 9 GLU CB C 13 30.10 . . 1 . . . . . . . . 4249 1 98 . 1 1 9 9 GLU CG C 13 35.90 . . 1 . . . . . . . . 4249 1 99 . 1 1 9 9 GLU N N 15 131.98 . . 1 . . . . . . . . 4249 1 100 . 1 1 10 10 GLU H H 1 9.18 . . 1 . . . . . . . . 4249 1 101 . 1 1 10 10 GLU HA H 1 4.61 . . 1 . . . . . . . . 4249 1 102 . 1 1 10 10 GLU HB2 H 1 2.28 . . 2 . . . . . . . . 4249 1 103 . 1 1 10 10 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4249 1 104 . 1 1 10 10 GLU C C 13 177.55 . . 1 . . . . . . . . 4249 1 105 . 1 1 10 10 GLU CA C 13 57.81 . . 1 . . . . . . . . 4249 1 106 . 1 1 10 10 GLU CB C 13 30.88 . . 1 . . . . . . . . 4249 1 107 . 1 1 10 10 GLU CG C 13 35.97 . . 1 . . . . . . . . 4249 1 108 . 1 1 10 10 GLU N N 15 121.79 . . 1 . . . . . . . . 4249 1 109 . 1 1 11 11 CYS H H 1 8.33 . . 1 . . . . . . . . 4249 1 110 . 1 1 11 11 CYS HA H 1 4.89 . . 1 . . . . . . . . 4249 1 111 . 1 1 11 11 CYS HB2 H 1 3.16 . . 2 . . . . . . . . 4249 1 112 . 1 1 11 11 CYS HB3 H 1 2.73 . . 2 . . . . . . . . 4249 1 113 . 1 1 11 11 CYS C C 13 177.37 . . 1 . . . . . . . . 4249 1 114 . 1 1 11 11 CYS CA C 13 59.07 . . 1 . . . . . . . . 4249 1 115 . 1 1 11 11 CYS CB C 13 32.86 . . 1 . . . . . . . . 4249 1 116 . 1 1 11 11 CYS N N 15 117.99 . . 1 . . . . . . . . 4249 1 117 . 1 1 12 12 GLY H H 1 8.04 . . 1 . . . . . . . . 4249 1 118 . 1 1 12 12 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4249 1 119 . 1 1 12 12 GLY HA3 H 1 3.85 . . 2 . . . . . . . . 4249 1 120 . 1 1 12 12 GLY C C 13 173.51 . . 1 . . . . . . . . 4249 1 121 . 1 1 12 12 GLY CA C 13 46.18 . . 1 . . . . . . . . 4249 1 122 . 1 1 12 12 GLY N N 15 113.38 . . 1 . . . . . . . . 4249 1 123 . 1 1 13 13 LYS H H 1 8.54 . . 1 . . . . . . . . 4249 1 124 . 1 1 13 13 LYS HA H 1 4.45 . . 1 . . . . . . . . 4249 1 125 . 1 1 13 13 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4249 1 126 . 1 1 13 13 LYS HB3 H 1 2.10 . . 2 . . . . . . . . 4249 1 127 . 1 1 13 13 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4249 1 128 . 1 1 13 13 LYS HD2 H 1 1.72 . . 2 . . . . . . . . 4249 1 129 . 1 1 13 13 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4249 1 130 . 1 1 13 13 LYS C C 13 176.31 . . 1 . . . . . . . . 4249 1 131 . 1 1 13 13 LYS CA C 13 56.28 . . 1 . . . . . . . . 4249 1 132 . 1 1 13 13 LYS CB C 13 33.49 . . 1 . . . . . . . . 4249 1 133 . 1 1 13 13 LYS CG C 13 25.42 . . 1 . . . . . . . . 4249 1 134 . 1 1 13 13 LYS CD C 13 29.06 . . 1 . . . . . . . . 4249 1 135 . 1 1 13 13 LYS CE C 13 42.22 . . 1 . . . . . . . . 4249 1 136 . 1 1 13 13 LYS N N 15 122.59 . . 1 . . . . . . . . 4249 1 137 . 1 1 14 14 GLU H H 1 8.49 . . 1 . . . . . . . . 4249 1 138 . 1 1 14 14 GLU HA H 1 4.97 . . 1 . . . . . . . . 4249 1 139 . 1 1 14 14 GLU HB2 H 1 1.67 . . 2 . . . . . . . . 4249 1 140 . 1 1 14 14 GLU HB3 H 1 1.50 . . 2 . . . . . . . . 4249 1 141 . 1 1 14 14 GLU HG2 H 1 2.08 . . 2 . . . . . . . . 4249 1 142 . 1 1 14 14 GLU HG3 H 1 1.91 . . 2 . . . . . . . . 4249 1 143 . 1 1 14 14 GLU C C 13 176.99 . . 1 . . . . . . . . 4249 1 144 . 1 1 14 14 GLU CA C 13 55.78 . . 1 . . . . . . . . 4249 1 145 . 1 1 14 14 GLU CB C 13 30.68 . . 1 . . . . . . . . 4249 1 146 . 1 1 14 14 GLU CG C 13 36.70 . . 1 . . . . . . . . 4249 1 147 . 1 1 14 14 GLU N N 15 122.03 . . 1 . . . . . . . . 4249 1 148 . 1 1 15 15 PHE H H 1 9.49 . . 1 . . . . . . . . 4249 1 149 . 1 1 15 15 PHE HA H 1 5.01 . . 1 . . . . . . . . 4249 1 150 . 1 1 15 15 PHE HB2 H 1 3.06 . . 2 . . . . . . . . 4249 1 151 . 1 1 15 15 PHE HD1 H 1 7.05 . . 3 . . . . . . . . 4249 1 152 . 1 1 15 15 PHE HE1 H 1 6.75 . . 3 . . . . . . . . 4249 1 153 . 1 1 15 15 PHE C C 13 172.12 . . 1 . . . . . . . . 4249 1 154 . 1 1 15 15 PHE CA C 13 56.24 . . 1 . . . . . . . . 4249 1 155 . 1 1 15 15 PHE CB C 13 41.57 . . 1 . . . . . . . . 4249 1 156 . 1 1 15 15 PHE CD1 C 13 133.17 . . 1 . . . . . . . . 4249 1 157 . 1 1 15 15 PHE N N 15 121.58 . . 1 . . . . . . . . 4249 1 158 . 1 1 16 16 MET H H 1 8.73 . . 1 . . . . . . . . 4249 1 159 . 1 1 16 16 MET HA H 1 4.53 . . 1 . . . . . . . . 4249 1 160 . 1 1 16 16 MET HB2 H 1 1.90 . . 2 . . . . . . . . 4249 1 161 . 1 1 16 16 MET HB3 H 1 1.96 . . 2 . . . . . . . . 4249 1 162 . 1 1 16 16 MET HG2 H 1 2.32 . . 2 . . . . . . . . 4249 1 163 . 1 1 16 16 MET HE1 H 1 1.82 . . 1 . . . . . . . . 4249 1 164 . 1 1 16 16 MET HE2 H 1 1.82 . . 1 . . . . . . . . 4249 1 165 . 1 1 16 16 MET HE3 H 1 1.82 . . 1 . . . . . . . . 4249 1 166 . 1 1 16 16 MET C C 13 174.90 . . 1 . . . . . . . . 4249 1 167 . 1 1 16 16 MET CA C 13 56.32 . . 1 . . . . . . . . 4249 1 168 . 1 1 16 16 MET CB C 13 34.25 . . 1 . . . . . . . . 4249 1 169 . 1 1 16 16 MET CG C 13 31.98 . . 1 . . . . . . . . 4249 1 170 . 1 1 16 16 MET CE C 13 16.72 . . 1 . . . . . . . . 4249 1 171 . 1 1 16 16 MET N N 15 118.85 . . 1 . . . . . . . . 4249 1 172 . 1 1 17 17 ASP H H 1 7.94 . . 1 . . . . . . . . 4249 1 173 . 1 1 17 17 ASP HA H 1 4.96 . . 1 . . . . . . . . 4249 1 174 . 1 1 17 17 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4249 1 175 . 1 1 17 17 ASP C C 13 174.79 . . 1 . . . . . . . . 4249 1 176 . 1 1 17 17 ASP CA C 13 53.31 . . 1 . . . . . . . . 4249 1 177 . 1 1 17 17 ASP CB C 13 44.10 . . 1 . . . . . . . . 4249 1 178 . 1 1 17 17 ASP N N 15 117.53 . . 1 . . . . . . . . 4249 1 179 . 1 1 18 18 SER H H 1 8.15 . . 1 . . . . . . . . 4249 1 180 . 1 1 18 18 SER HA H 1 4.89 . . 1 . . . . . . . . 4249 1 181 . 1 1 18 18 SER HB2 H 1 3.88 . . 2 . . . . . . . . 4249 1 182 . 1 1 18 18 SER C C 13 172.42 . . 1 . . . . . . . . 4249 1 183 . 1 1 18 18 SER CA C 13 56.33 . . 1 . . . . . . . . 4249 1 184 . 1 1 18 18 SER CB C 13 66.09 . . 1 . . . . . . . . 4249 1 185 . 1 1 18 18 SER N N 15 116.38 . . 1 . . . . . . . . 4249 1 186 . 1 1 19 19 TYR H H 1 10.47 . . 1 . . . . . . . . 4249 1 187 . 1 1 19 19 TYR HA H 1 4.29 . . 1 . . . . . . . . 4249 1 188 . 1 1 19 19 TYR HB2 H 1 2.79 . . 2 . . . . . . . . 4249 1 189 . 1 1 19 19 TYR HB3 H 1 3.34 . . 2 . . . . . . . . 4249 1 190 . 1 1 19 19 TYR HD1 H 1 7.04 . . 3 . . . . . . . . 4249 1 191 . 1 1 19 19 TYR HE1 H 1 6.69 . . 3 . . . . . . . . 4249 1 192 . 1 1 19 19 TYR C C 13 178.41 . . 1 . . . . . . . . 4249 1 193 . 1 1 19 19 TYR CA C 13 62.46 . . 1 . . . . . . . . 4249 1 194 . 1 1 19 19 TYR CB C 13 39.26 . . 1 . . . . . . . . 4249 1 195 . 1 1 19 19 TYR CD1 C 13 132.84 . . 1 . . . . . . . . 4249 1 196 . 1 1 19 19 TYR CE1 C 13 118.28 . . 1 . . . . . . . . 4249 1 197 . 1 1 19 19 TYR N N 15 126.54 . . 1 . . . . . . . . 4249 1 198 . 1 1 20 20 LEU H H 1 9.15 . . 1 . . . . . . . . 4249 1 199 . 1 1 20 20 LEU HA H 1 4.30 . . 1 . . . . . . . . 4249 1 200 . 1 1 20 20 LEU HB2 H 1 1.59 . . 2 . . . . . . . . 4249 1 201 . 1 1 20 20 LEU HG H 1 1.96 . . 1 . . . . . . . . 4249 1 202 . 1 1 20 20 LEU HD11 H 1 0.16 . . 1 . . . . . . . . 4249 1 203 . 1 1 20 20 LEU HD12 H 1 0.16 . . 1 . . . . . . . . 4249 1 204 . 1 1 20 20 LEU HD13 H 1 0.16 . . 1 . . . . . . . . 4249 1 205 . 1 1 20 20 LEU HD21 H 1 1.12 . . 1 . . . . . . . . 4249 1 206 . 1 1 20 20 LEU HD22 H 1 1.12 . . 1 . . . . . . . . 4249 1 207 . 1 1 20 20 LEU HD23 H 1 1.12 . . 1 . . . . . . . . 4249 1 208 . 1 1 20 20 LEU C C 13 179.61 . . 1 . . . . . . . . 4249 1 209 . 1 1 20 20 LEU CA C 13 57.73 . . 1 . . . . . . . . 4249 1 210 . 1 1 20 20 LEU CB C 13 40.70 . . 1 . . . . . . . . 4249 1 211 . 1 1 20 20 LEU CG C 13 25.73 . . 1 . . . . . . . . 4249 1 212 . 1 1 20 20 LEU CD1 C 13 25.84 . . 1 . . . . . . . . 4249 1 213 . 1 1 20 20 LEU CD2 C 13 23.60 . . 1 . . . . . . . . 4249 1 214 . 1 1 20 20 LEU N N 15 119.08 . . 1 . . . . . . . . 4249 1 215 . 1 1 21 21 MET H H 1 8.27 . . 1 . . . . . . . . 4249 1 216 . 1 1 21 21 MET HA H 1 4.27 . . 1 . . . . . . . . 4249 1 217 . 1 1 21 21 MET HB2 H 1 2.38 . . 2 . . . . . . . . 4249 1 218 . 1 1 21 21 MET HG2 H 1 2.73 . . 2 . . . . . . . . 4249 1 219 . 1 1 21 21 MET HE1 H 1 1.94 . . 1 . . . . . . . . 4249 1 220 . 1 1 21 21 MET HE2 H 1 1.94 . . 1 . . . . . . . . 4249 1 221 . 1 1 21 21 MET HE3 H 1 1.94 . . 1 . . . . . . . . 4249 1 222 . 1 1 21 21 MET C C 13 178.67 . . 1 . . . . . . . . 4249 1 223 . 1 1 21 21 MET CA C 13 57.82 . . 1 . . . . . . . . 4249 1 224 . 1 1 21 21 MET CB C 13 32.88 . . 1 . . . . . . . . 4249 1 225 . 1 1 21 21 MET CG C 13 33.29 . . 1 . . . . . . . . 4249 1 226 . 1 1 21 21 MET CE C 13 17.86 . . 1 . . . . . . . . 4249 1 227 . 1 1 21 21 MET N N 15 124.35 . . 1 . . . . . . . . 4249 1 228 . 1 1 22 22 ASN H H 1 8.56 . . 1 . . . . . . . . 4249 1 229 . 1 1 22 22 ASN HA H 1 4.19 . . 1 . . . . . . . . 4249 1 230 . 1 1 22 22 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 4249 1 231 . 1 1 22 22 ASN HB3 H 1 2.21 . . 2 . . . . . . . . 4249 1 232 . 1 1 22 22 ASN HD21 H 1 7.04 . . 1 . . . . . . . . 4249 1 233 . 1 1 22 22 ASN C C 13 177.36 . . 1 . . . . . . . . 4249 1 234 . 1 1 22 22 ASN CA C 13 56.12 . . 1 . . . . . . . . 4249 1 235 . 1 1 22 22 ASN CB C 13 38.15 . . 1 . . . . . . . . 4249 1 236 . 1 1 22 22 ASN N N 15 118.46 . . 1 . . . . . . . . 4249 1 237 . 1 1 22 22 ASN ND2 N 15 112.65 . . 1 . . . . . . . . 4249 1 238 . 1 1 23 23 HIS H H 1 7.63 . . 1 . . . . . . . . 4249 1 239 . 1 1 23 23 HIS HA H 1 4.05 . . 1 . . . . . . . . 4249 1 240 . 1 1 23 23 HIS HB2 H 1 1.57 . . 2 . . . . . . . . 4249 1 241 . 1 1 23 23 HIS HB3 H 1 2.05 . . 2 . . . . . . . . 4249 1 242 . 1 1 23 23 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 4249 1 243 . 1 1 23 23 HIS C C 13 175.43 . . 1 . . . . . . . . 4249 1 244 . 1 1 23 23 HIS CA C 13 58.06 . . 1 . . . . . . . . 4249 1 245 . 1 1 23 23 HIS CB C 13 29.88 . . 1 . . . . . . . . 4249 1 246 . 1 1 23 23 HIS N N 15 111.72 . . 1 . . . . . . . . 4249 1 247 . 1 1 24 24 PHE H H 1 7.13 . . 1 . . . . . . . . 4249 1 248 . 1 1 24 24 PHE HA H 1 4.91 . . 1 . . . . . . . . 4249 1 249 . 1 1 24 24 PHE HB2 H 1 3.69 . . 2 . . . . . . . . 4249 1 250 . 1 1 24 24 PHE HB3 H 1 2.86 . . 2 . . . . . . . . 4249 1 251 . 1 1 24 24 PHE HD1 H 1 7.24 . . 3 . . . . . . . . 4249 1 252 . 1 1 24 24 PHE HE1 H 1 7.28 . . 3 . . . . . . . . 4249 1 253 . 1 1 24 24 PHE HZ H 1 6.96 . . 1 . . . . . . . . 4249 1 254 . 1 1 24 24 PHE C C 13 174.35 . . 1 . . . . . . . . 4249 1 255 . 1 1 24 24 PHE CA C 13 57.25 . . 1 . . . . . . . . 4249 1 256 . 1 1 24 24 PHE CB C 13 41.20 . . 1 . . . . . . . . 4249 1 257 . 1 1 24 24 PHE CD1 C 13 132.86 . . 1 . . . . . . . . 4249 1 258 . 1 1 24 24 PHE N N 15 112.38 . . 1 . . . . . . . . 4249 1 259 . 1 1 25 25 ASP H H 1 7.85 . . 1 . . . . . . . . 4249 1 260 . 1 1 25 25 ASP HA H 1 4.68 . . 1 . . . . . . . . 4249 1 261 . 1 1 25 25 ASP HB2 H 1 2.94 . . 2 . . . . . . . . 4249 1 262 . 1 1 25 25 ASP C C 13 174.47 . . 1 . . . . . . . . 4249 1 263 . 1 1 25 25 ASP CA C 13 55.91 . . 1 . . . . . . . . 4249 1 264 . 1 1 25 25 ASP CB C 13 39.48 . . 1 . . . . . . . . 4249 1 265 . 1 1 25 25 ASP N N 15 117.05 . . 1 . . . . . . . . 4249 1 266 . 1 1 26 26 LEU H H 1 7.70 . . 1 . . . . . . . . 4249 1 267 . 1 1 26 26 LEU HA H 1 4.85 . . 1 . . . . . . . . 4249 1 268 . 1 1 26 26 LEU HG H 1 1.58 . . 1 . . . . . . . . 4249 1 269 . 1 1 26 26 LEU HD11 H 1 0.99 . . 1 . . . . . . . . 4249 1 270 . 1 1 26 26 LEU HD12 H 1 0.99 . . 1 . . . . . . . . 4249 1 271 . 1 1 26 26 LEU HD13 H 1 0.99 . . 1 . . . . . . . . 4249 1 272 . 1 1 26 26 LEU HD21 H 1 0.93 . . 1 . . . . . . . . 4249 1 273 . 1 1 26 26 LEU HD22 H 1 0.93 . . 1 . . . . . . . . 4249 1 274 . 1 1 26 26 LEU HD23 H 1 0.93 . . 1 . . . . . . . . 4249 1 275 . 1 1 26 26 LEU C C 13 175.34 . . 1 . . . . . . . . 4249 1 276 . 1 1 26 26 LEU CA C 13 51.56 . . 1 . . . . . . . . 4249 1 277 . 1 1 26 26 LEU CB C 13 44.71 . . 1 . . . . . . . . 4249 1 278 . 1 1 26 26 LEU CD1 C 13 25.10 . . 1 . . . . . . . . 4249 1 279 . 1 1 26 26 LEU CD2 C 13 27.38 . . 1 . . . . . . . . 4249 1 280 . 1 1 26 26 LEU N N 15 124.21 . . 1 . . . . . . . . 4249 1 281 . 1 1 27 27 PRO HA H 1 4.86 . . 1 . . . . . . . . 4249 1 282 . 1 1 27 27 PRO HB2 H 1 2.65 . . 2 . . . . . . . . 4249 1 283 . 1 1 27 27 PRO HG2 H 1 2.07 . . 2 . . . . . . . . 4249 1 284 . 1 1 27 27 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 4249 1 285 . 1 1 27 27 PRO HD3 H 1 3.74 . . 2 . . . . . . . . 4249 1 286 . 1 1 27 27 PRO C C 13 173.51 . . 1 . . . . . . . . 4249 1 287 . 1 1 27 27 PRO CA C 13 62.50 . . 1 . . . . . . . . 4249 1 288 . 1 1 27 27 PRO CB C 13 27.73 . . 1 . . . . . . . . 4249 1 289 . 1 1 27 27 PRO CG C 13 26.01 . . 1 . . . . . . . . 4249 1 290 . 1 1 27 27 PRO CD C 13 50.84 . . 1 . . . . . . . . 4249 1 291 . 1 1 28 28 THR H H 1 8.76 . . 1 . . . . . . . . 4249 1 292 . 1 1 28 28 THR HA H 1 5.56 . . 1 . . . . . . . . 4249 1 293 . 1 1 28 28 THR HB H 1 3.38 . . 1 . . . . . . . . 4249 1 294 . 1 1 28 28 THR HG21 H 1 0.95 . . 1 . . . . . . . . 4249 1 295 . 1 1 28 28 THR HG22 H 1 0.95 . . 1 . . . . . . . . 4249 1 296 . 1 1 28 28 THR HG23 H 1 0.95 . . 1 . . . . . . . . 4249 1 297 . 1 1 28 28 THR C C 13 174.57 . . 1 . . . . . . . . 4249 1 298 . 1 1 28 28 THR CA C 13 61.14 . . 1 . . . . . . . . 4249 1 299 . 1 1 28 28 THR CB C 13 71.80 . . 1 . . . . . . . . 4249 1 300 . 1 1 28 28 THR CG2 C 13 22.91 . . 1 . . . . . . . . 4249 1 301 . 1 1 28 28 THR N N 15 123.91 . . 1 . . . . . . . . 4249 1 302 . 1 1 29 29 CYS H H 1 9.74 . . 1 . . . . . . . . 4249 1 303 . 1 1 29 29 CYS HA H 1 3.21 . . 1 . . . . . . . . 4249 1 304 . 1 1 29 29 CYS HB2 H 1 2.02 . . 2 . . . . . . . . 4249 1 305 . 1 1 29 29 CYS HB3 H 1 2.93 . . 2 . . . . . . . . 4249 1 306 . 1 1 29 29 CYS C C 13 174.89 . . 1 . . . . . . . . 4249 1 307 . 1 1 29 29 CYS CA C 13 58.51 . . 1 . . . . . . . . 4249 1 308 . 1 1 29 29 CYS CB C 13 30.71 . . 1 . . . . . . . . 4249 1 309 . 1 1 29 29 CYS N N 15 135.89 . . 1 . . . . . . . . 4249 1 310 . 1 1 30 30 ASP H H 1 8.93 . . 1 . . . . . . . . 4249 1 311 . 1 1 30 30 ASP HA H 1 4.42 . . 1 . . . . . . . . 4249 1 312 . 1 1 30 30 ASP HB2 H 1 2.58 . . 2 . . . . . . . . 4249 1 313 . 1 1 30 30 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 4249 1 314 . 1 1 30 30 ASP C C 13 178.09 . . 1 . . . . . . . . 4249 1 315 . 1 1 30 30 ASP CA C 13 57.24 . . 1 . . . . . . . . 4249 1 316 . 1 1 30 30 ASP CB C 13 40.41 . . 1 . . . . . . . . 4249 1 317 . 1 1 30 30 ASP N N 15 117.47 . . 1 . . . . . . . . 4249 1 318 . 1 1 31 31 ASN H H 1 8.50 . . 1 . . . . . . . . 4249 1 319 . 1 1 31 31 ASN HA H 1 4.56 . . 1 . . . . . . . . 4249 1 320 . 1 1 31 31 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 4249 1 321 . 1 1 31 31 ASN HB3 H 1 2.97 . . 2 . . . . . . . . 4249 1 322 . 1 1 31 31 ASN HD21 H 1 7.00 . . 1 . . . . . . . . 4249 1 323 . 1 1 31 31 ASN HD22 H 1 7.77 . . 1 . . . . . . . . 4249 1 324 . 1 1 31 31 ASN C C 13 176.58 . . 1 . . . . . . . . 4249 1 325 . 1 1 31 31 ASN CA C 13 55.88 . . 1 . . . . . . . . 4249 1 326 . 1 1 31 31 ASN CB C 13 38.86 . . 1 . . . . . . . . 4249 1 327 . 1 1 31 31 ASN N N 15 121.18 . . 1 . . . . . . . . 4249 1 328 . 1 1 31 31 ASN ND2 N 15 115.19 . . 1 . . . . . . . . 4249 1 329 . 1 1 32 32 CYS H H 1 7.68 . . 1 . . . . . . . . 4249 1 330 . 1 1 32 32 CYS HA H 1 3.98 . . 1 . . . . . . . . 4249 1 331 . 1 1 32 32 CYS HB2 H 1 2.57 . . 2 . . . . . . . . 4249 1 332 . 1 1 32 32 CYS HB3 H 1 2.79 . . 2 . . . . . . . . 4249 1 333 . 1 1 32 32 CYS C C 13 174.73 . . 1 . . . . . . . . 4249 1 334 . 1 1 32 32 CYS CA C 13 61.20 . . 1 . . . . . . . . 4249 1 335 . 1 1 32 32 CYS CB C 13 30.55 . . 1 . . . . . . . . 4249 1 336 . 1 1 32 32 CYS N N 15 122.09 . . 1 . . . . . . . . 4249 1 337 . 1 1 33 33 ARG H H 1 6.79 . . 1 . . . . . . . . 4249 1 338 . 1 1 33 33 ARG HA H 1 3.88 . . 1 . . . . . . . . 4249 1 339 . 1 1 33 33 ARG HB2 H 1 2.20 . . 2 . . . . . . . . 4249 1 340 . 1 1 33 33 ARG C C 13 175.14 . . 1 . . . . . . . . 4249 1 341 . 1 1 33 33 ARG CA C 13 56.28 . . 1 . . . . . . . . 4249 1 342 . 1 1 33 33 ARG CB C 13 30.32 . . 1 . . . . . . . . 4249 1 343 . 1 1 33 33 ARG N N 15 121.12 . . 1 . . . . . . . . 4249 1 344 . 1 1 34 34 ASP HA H 1 4.96 . . 1 . . . . . . . . 4249 1 345 . 1 1 34 34 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 4249 1 346 . 1 1 34 34 ASP HB3 H 1 2.99 . . 2 . . . . . . . . 4249 1 347 . 1 1 34 34 ASP C C 13 176.43 . . 1 . . . . . . . . 4249 1 348 . 1 1 34 34 ASP CA C 13 51.61 . . 1 . . . . . . . . 4249 1 349 . 1 1 34 34 ASP CB C 13 41.35 . . 1 . . . . . . . . 4249 1 350 . 1 1 35 35 ALA H H 1 8.81 . . 1 . . . . . . . . 4249 1 351 . 1 1 35 35 ALA HA H 1 3.83 . . 1 . . . . . . . . 4249 1 352 . 1 1 35 35 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4249 1 353 . 1 1 35 35 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4249 1 354 . 1 1 35 35 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4249 1 355 . 1 1 35 35 ALA C C 13 177.14 . . 1 . . . . . . . . 4249 1 356 . 1 1 35 35 ALA CA C 13 53.74 . . 1 . . . . . . . . 4249 1 357 . 1 1 35 35 ALA CB C 13 18.75 . . 1 . . . . . . . . 4249 1 358 . 1 1 35 35 ALA N N 15 126.57 . . 1 . . . . . . . . 4249 1 359 . 1 1 36 36 ASP H H 1 7.72 . . 1 . . . . . . . . 4249 1 360 . 1 1 36 36 ASP HA H 1 4.62 . . 1 . . . . . . . . 4249 1 361 . 1 1 36 36 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 4249 1 362 . 1 1 36 36 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 4249 1 363 . 1 1 36 36 ASP C C 13 176.26 . . 1 . . . . . . . . 4249 1 364 . 1 1 36 36 ASP CA C 13 55.16 . . 1 . . . . . . . . 4249 1 365 . 1 1 36 36 ASP CB C 13 42.03 . . 1 . . . . . . . . 4249 1 366 . 1 1 36 36 ASP N N 15 113.66 . . 1 . . . . . . . . 4249 1 367 . 1 1 37 37 ASP H H 1 7.11 . . 1 . . . . . . . . 4249 1 368 . 1 1 37 37 ASP HA H 1 4.69 . . 1 . . . . . . . . 4249 1 369 . 1 1 37 37 ASP HB2 H 1 2.47 . . 2 . . . . . . . . 4249 1 370 . 1 1 37 37 ASP HB3 H 1 3.07 . . 2 . . . . . . . . 4249 1 371 . 1 1 37 37 ASP C C 13 176.27 . . 1 . . . . . . . . 4249 1 372 . 1 1 37 37 ASP CA C 13 55.69 . . 1 . . . . . . . . 4249 1 373 . 1 1 37 37 ASP CB C 13 41.74 . . 1 . . . . . . . . 4249 1 374 . 1 1 37 37 ASP N N 15 117.91 . . 1 . . . . . . . . 4249 1 375 . 1 1 38 38 LYS H H 1 8.10 . . 1 . . . . . . . . 4249 1 376 . 1 1 38 38 LYS HA H 1 3.64 . . 1 . . . . . . . . 4249 1 377 . 1 1 38 38 LYS HB2 H 1 1.30 . . 2 . . . . . . . . 4249 1 378 . 1 1 38 38 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 4249 1 379 . 1 1 38 38 LYS HG2 H 1 1.09 . . 2 . . . . . . . . 4249 1 380 . 1 1 38 38 LYS HD2 H 1 1.47 . . 2 . . . . . . . . 4249 1 381 . 1 1 38 38 LYS HD3 H 1 1.66 . . 2 . . . . . . . . 4249 1 382 . 1 1 38 38 LYS HE2 H 1 2.80 . . 2 . . . . . . . . 4249 1 383 . 1 1 38 38 LYS C C 13 178.11 . . 1 . . . . . . . . 4249 1 384 . 1 1 38 38 LYS CA C 13 60.69 . . 1 . . . . . . . . 4249 1 385 . 1 1 38 38 LYS CB C 13 33.14 . . 1 . . . . . . . . 4249 1 386 . 1 1 38 38 LYS CG C 13 24.85 . . 1 . . . . . . . . 4249 1 387 . 1 1 38 38 LYS CD C 13 29.89 . . 1 . . . . . . . . 4249 1 388 . 1 1 38 38 LYS CE C 13 41.78 . . 1 . . . . . . . . 4249 1 389 . 1 1 38 38 LYS N N 15 122.98 . . 1 . . . . . . . . 4249 1 390 . 1 1 39 39 HIS H H 1 8.52 . . 1 . . . . . . . . 4249 1 391 . 1 1 39 39 HIS HA H 1 4.78 . . 1 . . . . . . . . 4249 1 392 . 1 1 39 39 HIS HB2 H 1 2.45 . . 2 . . . . . . . . 4249 1 393 . 1 1 39 39 HIS HB3 H 1 3.24 . . 2 . . . . . . . . 4249 1 394 . 1 1 39 39 HIS HD2 H 1 6.50 . . 1 . . . . . . . . 4249 1 395 . 1 1 39 39 HIS HE1 H 1 7.64 . . 1 . . . . . . . . 4249 1 396 . 1 1 39 39 HIS C C 13 173.46 . . 1 . . . . . . . . 4249 1 397 . 1 1 39 39 HIS CA C 13 55.39 . . 1 . . . . . . . . 4249 1 398 . 1 1 39 39 HIS CB C 13 30.07 . . 1 . . . . . . . . 4249 1 399 . 1 1 39 39 HIS CD2 C 13 114.44 . . 1 . . . . . . . . 4249 1 400 . 1 1 39 39 HIS N N 15 114.18 . . 1 . . . . . . . . 4249 1 401 . 1 1 40 40 LYS H H 1 6.71 . . 1 . . . . . . . . 4249 1 402 . 1 1 40 40 LYS HA H 1 4.23 . . 1 . . . . . . . . 4249 1 403 . 1 1 40 40 LYS HB2 H 1 1.43 . . 2 . . . . . . . . 4249 1 404 . 1 1 40 40 LYS HB3 H 1 1.70 . . 2 . . . . . . . . 4249 1 405 . 1 1 40 40 LYS HG2 H 1 1.30 . . 2 . . . . . . . . 4249 1 406 . 1 1 40 40 LYS HD2 H 1 1.49 . . 2 . . . . . . . . 4249 1 407 . 1 1 40 40 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4249 1 408 . 1 1 40 40 LYS C C 13 176.12 . . 1 . . . . . . . . 4249 1 409 . 1 1 40 40 LYS CA C 13 56.51 . . 1 . . . . . . . . 4249 1 410 . 1 1 40 40 LYS CB C 13 33.60 . . 1 . . . . . . . . 4249 1 411 . 1 1 40 40 LYS CG C 13 23.96 . . 1 . . . . . . . . 4249 1 412 . 1 1 40 40 LYS CD C 13 29.58 . . 1 . . . . . . . . 4249 1 413 . 1 1 40 40 LYS CE C 13 41.83 . . 1 . . . . . . . . 4249 1 414 . 1 1 40 40 LYS N N 15 118.23 . . 1 . . . . . . . . 4249 1 415 . 1 1 41 41 LEU H H 1 8.28 . . 1 . . . . . . . . 4249 1 416 . 1 1 41 41 LEU HA H 1 5.24 . . 1 . . . . . . . . 4249 1 417 . 1 1 41 41 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 4249 1 418 . 1 1 41 41 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 4249 1 419 . 1 1 41 41 LEU HG H 1 1.87 . . 1 . . . . . . . . 4249 1 420 . 1 1 41 41 LEU HD11 H 1 1.02 . . 1 . . . . . . . . 4249 1 421 . 1 1 41 41 LEU HD12 H 1 1.02 . . 1 . . . . . . . . 4249 1 422 . 1 1 41 41 LEU HD13 H 1 1.02 . . 1 . . . . . . . . 4249 1 423 . 1 1 41 41 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4249 1 424 . 1 1 41 41 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4249 1 425 . 1 1 41 41 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4249 1 426 . 1 1 41 41 LEU C C 13 176.91 . . 1 . . . . . . . . 4249 1 427 . 1 1 41 41 LEU CA C 13 53.31 . . 1 . . . . . . . . 4249 1 428 . 1 1 41 41 LEU CB C 13 43.40 . . 1 . . . . . . . . 4249 1 429 . 1 1 41 41 LEU CG C 13 26.71 . . 1 . . . . . . . . 4249 1 430 . 1 1 41 41 LEU CD1 C 13 26.54 . . 1 . . . . . . . . 4249 1 431 . 1 1 41 41 LEU CD2 C 13 24.06 . . 1 . . . . . . . . 4249 1 432 . 1 1 41 41 LEU N N 15 123.68 . . 1 . . . . . . . . 4249 1 433 . 1 1 42 42 ILE H H 1 9.44 . . 1 . . . . . . . . 4249 1 434 . 1 1 42 42 ILE HA H 1 4.88 . . 1 . . . . . . . . 4249 1 435 . 1 1 42 42 ILE HB H 1 1.83 . . 1 . . . . . . . . 4249 1 436 . 1 1 42 42 ILE HG12 H 1 1.66 . . 2 . . . . . . . . 4249 1 437 . 1 1 42 42 ILE HG13 H 1 1.17 . . 2 . . . . . . . . 4249 1 438 . 1 1 42 42 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4249 1 439 . 1 1 42 42 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4249 1 440 . 1 1 42 42 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4249 1 441 . 1 1 42 42 ILE HD11 H 1 0.84 . . 1 . . . . . . . . 4249 1 442 . 1 1 42 42 ILE HD12 H 1 0.84 . . 1 . . . . . . . . 4249 1 443 . 1 1 42 42 ILE HD13 H 1 0.84 . . 1 . . . . . . . . 4249 1 444 . 1 1 42 42 ILE C C 13 174.16 . . 1 . . . . . . . . 4249 1 445 . 1 1 42 42 ILE CA C 13 59.06 . . 1 . . . . . . . . 4249 1 446 . 1 1 42 42 ILE CB C 13 42.53 . . 1 . . . . . . . . 4249 1 447 . 1 1 42 42 ILE CG1 C 13 26.31 . . 1 . . . . . . . . 4249 1 448 . 1 1 42 42 ILE CG2 C 13 17.24 . . 1 . . . . . . . . 4249 1 449 . 1 1 42 42 ILE CD1 C 13 14.15 . . 1 . . . . . . . . 4249 1 450 . 1 1 42 42 ILE N N 15 118.63 . . 1 . . . . . . . . 4249 1 451 . 1 1 43 43 THR H H 1 8.77 . . 1 . . . . . . . . 4249 1 452 . 1 1 43 43 THR HA H 1 4.98 . . 1 . . . . . . . . 4249 1 453 . 1 1 43 43 THR HB H 1 4.97 . . 1 . . . . . . . . 4249 1 454 . 1 1 43 43 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4249 1 455 . 1 1 43 43 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4249 1 456 . 1 1 43 43 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4249 1 457 . 1 1 43 43 THR C C 13 175.91 . . 1 . . . . . . . . 4249 1 458 . 1 1 43 43 THR CA C 13 61.61 . . 1 . . . . . . . . 4249 1 459 . 1 1 43 43 THR CB C 13 71.32 . . 1 . . . . . . . . 4249 1 460 . 1 1 43 43 THR CG2 C 13 22.39 . . 1 . . . . . . . . 4249 1 461 . 1 1 43 43 THR N N 15 115.71 . . 1 . . . . . . . . 4249 1 462 . 1 1 44 44 LYS H H 1 8.76 . . 1 . . . . . . . . 4249 1 463 . 1 1 44 44 LYS HA H 1 3.81 . . 1 . . . . . . . . 4249 1 464 . 1 1 44 44 LYS HB2 H 1 2.30 . . 2 . . . . . . . . 4249 1 465 . 1 1 44 44 LYS HG2 H 1 1.59 . . 2 . . . . . . . . 4249 1 466 . 1 1 44 44 LYS HD2 H 1 1.98 . . 2 . . . . . . . . 4249 1 467 . 1 1 44 44 LYS HE2 H 1 2.55 . . 2 . . . . . . . . 4249 1 468 . 1 1 44 44 LYS C C 13 177.77 . . 1 . . . . . . . . 4249 1 469 . 1 1 44 44 LYS CA C 13 60.44 . . 1 . . . . . . . . 4249 1 470 . 1 1 44 44 LYS CB C 13 33.56 . . 1 . . . . . . . . 4249 1 471 . 1 1 44 44 LYS CG C 13 25.64 . . 1 . . . . . . . . 4249 1 472 . 1 1 44 44 LYS CD C 13 29.95 . . 1 . . . . . . . . 4249 1 473 . 1 1 44 44 LYS CE C 13 42.59 . . 1 . . . . . . . . 4249 1 474 . 1 1 44 44 LYS N N 15 122.20 . . 1 . . . . . . . . 4249 1 475 . 1 1 45 45 THR H H 1 7.84 . . 1 . . . . . . . . 4249 1 476 . 1 1 45 45 THR HA H 1 3.84 . . 1 . . . . . . . . 4249 1 477 . 1 1 45 45 THR HB H 1 4.09 . . 1 . . . . . . . . 4249 1 478 . 1 1 45 45 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4249 1 479 . 1 1 45 45 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4249 1 480 . 1 1 45 45 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4249 1 481 . 1 1 45 45 THR C C 13 176.25 . . 1 . . . . . . . . 4249 1 482 . 1 1 45 45 THR CA C 13 66.57 . . 1 . . . . . . . . 4249 1 483 . 1 1 45 45 THR CB C 13 68.80 . . 1 . . . . . . . . 4249 1 484 . 1 1 45 45 THR CG2 C 13 21.75 . . 1 . . . . . . . . 4249 1 485 . 1 1 45 45 THR N N 15 112.62 . . 1 . . . . . . . . 4249 1 486 . 1 1 46 46 GLU H H 1 7.88 . . 1 . . . . . . . . 4249 1 487 . 1 1 46 46 GLU HA H 1 4.05 . . 1 . . . . . . . . 4249 1 488 . 1 1 46 46 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 4249 1 489 . 1 1 46 46 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 4249 1 490 . 1 1 46 46 GLU C C 13 178.47 . . 1 . . . . . . . . 4249 1 491 . 1 1 46 46 GLU CA C 13 59.66 . . 1 . . . . . . . . 4249 1 492 . 1 1 46 46 GLU CB C 13 29.74 . . 1 . . . . . . . . 4249 1 493 . 1 1 46 46 GLU CG C 13 37.27 . . 1 . . . . . . . . 4249 1 494 . 1 1 46 46 GLU N N 15 123.54 . . 1 . . . . . . . . 4249 1 495 . 1 1 47 47 ALA H H 1 8.74 . . 1 . . . . . . . . 4249 1 496 . 1 1 47 47 ALA HA H 1 4.06 . . 1 . . . . . . . . 4249 1 497 . 1 1 47 47 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4249 1 498 . 1 1 47 47 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4249 1 499 . 1 1 47 47 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4249 1 500 . 1 1 47 47 ALA C C 13 179.26 . . 1 . . . . . . . . 4249 1 501 . 1 1 47 47 ALA CA C 13 55.22 . . 1 . . . . . . . . 4249 1 502 . 1 1 47 47 ALA CB C 13 18.38 . . 1 . . . . . . . . 4249 1 503 . 1 1 47 47 ALA N N 15 121.63 . . 1 . . . . . . . . 4249 1 504 . 1 1 48 48 LYS H H 1 8.17 . . 1 . . . . . . . . 4249 1 505 . 1 1 48 48 LYS HA H 1 4.04 . . 1 . . . . . . . . 4249 1 506 . 1 1 48 48 LYS HB2 H 1 1.33 . . 2 . . . . . . . . 4249 1 507 . 1 1 48 48 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 4249 1 508 . 1 1 48 48 LYS HD2 H 1 1.71 . . 2 . . . . . . . . 4249 1 509 . 1 1 48 48 LYS HE2 H 1 2.90 . . 2 . . . . . . . . 4249 1 510 . 1 1 48 48 LYS C C 13 179.43 . . 1 . . . . . . . . 4249 1 511 . 1 1 48 48 LYS CA C 13 60.42 . . 1 . . . . . . . . 4249 1 512 . 1 1 48 48 LYS CB C 13 32.29 . . 1 . . . . . . . . 4249 1 513 . 1 1 48 48 LYS CG C 13 25.25 . . 1 . . . . . . . . 4249 1 514 . 1 1 48 48 LYS CD C 13 32.01 . . 1 . . . . . . . . 4249 1 515 . 1 1 48 48 LYS CE C 13 41.56 . . 1 . . . . . . . . 4249 1 516 . 1 1 48 48 LYS N N 15 115.12 . . 1 . . . . . . . . 4249 1 517 . 1 1 49 49 GLN H H 1 7.92 . . 1 . . . . . . . . 4249 1 518 . 1 1 49 49 GLN HA H 1 4.09 . . 1 . . . . . . . . 4249 1 519 . 1 1 49 49 GLN HB2 H 1 2.17 . . 2 . . . . . . . . 4249 1 520 . 1 1 49 49 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 4249 1 521 . 1 1 49 49 GLN HG2 H 1 2.40 . . 2 . . . . . . . . 4249 1 522 . 1 1 49 49 GLN HE21 H 1 7.48 . . 1 . . . . . . . . 4249 1 523 . 1 1 49 49 GLN HE22 H 1 6.82 . . 1 . . . . . . . . 4249 1 524 . 1 1 49 49 GLN C C 13 177.83 . . 1 . . . . . . . . 4249 1 525 . 1 1 49 49 GLN CA C 13 58.56 . . 1 . . . . . . . . 4249 1 526 . 1 1 49 49 GLN CB C 13 29.50 . . 1 . . . . . . . . 4249 1 527 . 1 1 49 49 GLN CG C 13 33.92 . . 1 . . . . . . . . 4249 1 528 . 1 1 49 49 GLN N N 15 117.14 . . 1 . . . . . . . . 4249 1 529 . 1 1 49 49 GLN NE2 N 15 113.02 . . 1 . . . . . . . . 4249 1 530 . 1 1 50 50 GLU H H 1 8.71 . . 1 . . . . . . . . 4249 1 531 . 1 1 50 50 GLU HA H 1 3.96 . . 1 . . . . . . . . 4249 1 532 . 1 1 50 50 GLU HB2 H 1 1.49 . . 2 . . . . . . . . 4249 1 533 . 1 1 50 50 GLU HG2 H 1 2.03 . . 2 . . . . . . . . 4249 1 534 . 1 1 50 50 GLU C C 13 177.23 . . 1 . . . . . . . . 4249 1 535 . 1 1 50 50 GLU CA C 13 57.42 . . 1 . . . . . . . . 4249 1 536 . 1 1 50 50 GLU CB C 13 29.70 . . 1 . . . . . . . . 4249 1 537 . 1 1 50 50 GLU CG C 13 35.64 . . 1 . . . . . . . . 4249 1 538 . 1 1 50 50 GLU N N 15 116.13 . . 1 . . . . . . . . 4249 1 539 . 1 1 51 51 TYR H H 1 7.19 . . 1 . . . . . . . . 4249 1 540 . 1 1 51 51 TYR HA H 1 4.40 . . 1 . . . . . . . . 4249 1 541 . 1 1 51 51 TYR HB2 H 1 2.85 . . 2 . . . . . . . . 4249 1 542 . 1 1 51 51 TYR HB3 H 1 3.22 . . 2 . . . . . . . . 4249 1 543 . 1 1 51 51 TYR HD1 H 1 7.14 . . 3 . . . . . . . . 4249 1 544 . 1 1 51 51 TYR HE1 H 1 6.62 . . 3 . . . . . . . . 4249 1 545 . 1 1 51 51 TYR C C 13 172.42 . . 1 . . . . . . . . 4249 1 546 . 1 1 51 51 TYR CA C 13 57.97 . . 1 . . . . . . . . 4249 1 547 . 1 1 51 51 TYR CB C 13 36.98 . . 1 . . . . . . . . 4249 1 548 . 1 1 51 51 TYR N N 15 113.78 . . 1 . . . . . . . . 4249 1 549 . 1 1 52 52 LEU H H 1 6.98 . . 1 . . . . . . . . 4249 1 550 . 1 1 52 52 LEU HA H 1 4.07 . . 1 . . . . . . . . 4249 1 551 . 1 1 52 52 LEU HB2 H 1 1.80 . . 2 . . . . . . . . 4249 1 552 . 1 1 52 52 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4249 1 553 . 1 1 52 52 LEU HG H 1 1.26 . . 1 . . . . . . . . 4249 1 554 . 1 1 52 52 LEU HD11 H 1 0.46 . . 1 . . . . . . . . 4249 1 555 . 1 1 52 52 LEU HD12 H 1 0.46 . . 1 . . . . . . . . 4249 1 556 . 1 1 52 52 LEU HD13 H 1 0.46 . . 1 . . . . . . . . 4249 1 557 . 1 1 52 52 LEU HD21 H 1 0.68 . . 1 . . . . . . . . 4249 1 558 . 1 1 52 52 LEU HD22 H 1 0.68 . . 1 . . . . . . . . 4249 1 559 . 1 1 52 52 LEU HD23 H 1 0.68 . . 1 . . . . . . . . 4249 1 560 . 1 1 52 52 LEU C C 13 176.13 . . 1 . . . . . . . . 4249 1 561 . 1 1 52 52 LEU CA C 13 55.63 . . 1 . . . . . . . . 4249 1 562 . 1 1 52 52 LEU CB C 13 39.25 . . 1 . . . . . . . . 4249 1 563 . 1 1 52 52 LEU CG C 13 26.48 . . 1 . . . . . . . . 4249 1 564 . 1 1 52 52 LEU CD1 C 13 26.41 . . 1 . . . . . . . . 4249 1 565 . 1 1 52 52 LEU CD2 C 13 23.83 . . 1 . . . . . . . . 4249 1 566 . 1 1 52 52 LEU N N 15 116.03 . . 1 . . . . . . . . 4249 1 567 . 1 1 53 53 LEU H H 1 7.41 . . 1 . . . . . . . . 4249 1 568 . 1 1 53 53 LEU HA H 1 4.91 . . 1 . . . . . . . . 4249 1 569 . 1 1 53 53 LEU HB2 H 1 1.26 . . 2 . . . . . . . . 4249 1 570 . 1 1 53 53 LEU HB3 H 1 1.33 . . 2 . . . . . . . . 4249 1 571 . 1 1 53 53 LEU HG H 1 1.75 . . 1 . . . . . . . . 4249 1 572 . 1 1 53 53 LEU HD11 H 1 0.70 . . 1 . . . . . . . . 4249 1 573 . 1 1 53 53 LEU HD12 H 1 0.70 . . 1 . . . . . . . . 4249 1 574 . 1 1 53 53 LEU HD13 H 1 0.70 . . 1 . . . . . . . . 4249 1 575 . 1 1 53 53 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4249 1 576 . 1 1 53 53 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4249 1 577 . 1 1 53 53 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4249 1 578 . 1 1 53 53 LEU C C 13 176.30 . . 1 . . . . . . . . 4249 1 579 . 1 1 53 53 LEU CA C 13 52.82 . . 1 . . . . . . . . 4249 1 580 . 1 1 53 53 LEU CB C 13 44.97 . . 1 . . . . . . . . 4249 1 581 . 1 1 53 53 LEU CG C 13 26.85 . . 1 . . . . . . . . 4249 1 582 . 1 1 53 53 LEU CD1 C 13 27.08 . . 1 . . . . . . . . 4249 1 583 . 1 1 53 53 LEU CD2 C 13 23.68 . . 1 . . . . . . . . 4249 1 584 . 1 1 53 53 LEU N N 15 117.84 . . 1 . . . . . . . . 4249 1 585 . 1 1 54 54 LYS H H 1 9.43 . . 1 . . . . . . . . 4249 1 586 . 1 1 54 54 LYS HA H 1 4.55 . . 1 . . . . . . . . 4249 1 587 . 1 1 54 54 LYS HG2 H 1 1.20 . . 2 . . . . . . . . 4249 1 588 . 1 1 54 54 LYS C C 13 178.51 . . 1 . . . . . . . . 4249 1 589 . 1 1 54 54 LYS CA C 13 54.42 . . 1 . . . . . . . . 4249 1 590 . 1 1 54 54 LYS CB C 13 35.61 . . 1 . . . . . . . . 4249 1 591 . 1 1 54 54 LYS N N 15 121.91 . . 1 . . . . . . . . 4249 1 592 . 1 1 56 56 CYS HA H 1 4.25 . . 1 . . . . . . . . 4249 1 593 . 1 1 56 56 CYS HB2 H 1 2.88 . . 2 . . . . . . . . 4249 1 594 . 1 1 56 56 CYS HB3 H 1 3.07 . . 2 . . . . . . . . 4249 1 595 . 1 1 56 56 CYS C C 13 176.44 . . 1 . . . . . . . . 4249 1 596 . 1 1 56 56 CYS CA C 13 60.14 . . 1 . . . . . . . . 4249 1 597 . 1 1 56 56 CYS CB C 13 26.91 . . 1 . . . . . . . . 4249 1 598 . 1 1 57 57 ASP H H 1 7.34 . . 1 . . . . . . . . 4249 1 599 . 1 1 57 57 ASP HA H 1 4.31 . . 1 . . . . . . . . 4249 1 600 . 1 1 57 57 ASP HB2 H 1 2.87 . . 2 . . . . . . . . 4249 1 601 . 1 1 57 57 ASP HB3 H 1 3.01 . . 2 . . . . . . . . 4249 1 602 . 1 1 57 57 ASP C C 13 176.12 . . 1 . . . . . . . . 4249 1 603 . 1 1 57 57 ASP CA C 13 57.25 . . 1 . . . . . . . . 4249 1 604 . 1 1 57 57 ASP CB C 13 42.92 . . 1 . . . . . . . . 4249 1 605 . 1 1 57 57 ASP N N 15 123.69 . . 1 . . . . . . . . 4249 1 606 . 1 1 58 58 LEU H H 1 7.24 . . 1 . . . . . . . . 4249 1 607 . 1 1 58 58 LEU HA H 1 4.14 . . 1 . . . . . . . . 4249 1 608 . 1 1 58 58 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 4249 1 609 . 1 1 58 58 LEU HG H 1 1.57 . . 1 . . . . . . . . 4249 1 610 . 1 1 58 58 LEU HD11 H 1 0.53 . . 1 . . . . . . . . 4249 1 611 . 1 1 58 58 LEU HD12 H 1 0.53 . . 1 . . . . . . . . 4249 1 612 . 1 1 58 58 LEU HD13 H 1 0.53 . . 1 . . . . . . . . 4249 1 613 . 1 1 58 58 LEU HD21 H 1 0.31 . . 1 . . . . . . . . 4249 1 614 . 1 1 58 58 LEU HD22 H 1 0.31 . . 1 . . . . . . . . 4249 1 615 . 1 1 58 58 LEU HD23 H 1 0.31 . . 1 . . . . . . . . 4249 1 616 . 1 1 58 58 LEU C C 13 177.68 . . 1 . . . . . . . . 4249 1 617 . 1 1 58 58 LEU CA C 13 56.73 . . 1 . . . . . . . . 4249 1 618 . 1 1 58 58 LEU CB C 13 42.76 . . 1 . . . . . . . . 4249 1 619 . 1 1 58 58 LEU CG C 13 24.73 . . 1 . . . . . . . . 4249 1 620 . 1 1 58 58 LEU CD1 C 13 25.02 . . 1 . . . . . . . . 4249 1 621 . 1 1 58 58 LEU CD2 C 13 23.87 . . 1 . . . . . . . . 4249 1 622 . 1 1 58 58 LEU N N 15 116.79 . . 1 . . . . . . . . 4249 1 623 . 1 1 59 59 GLU H H 1 7.99 . . 1 . . . . . . . . 4249 1 624 . 1 1 59 59 GLU HA H 1 4.50 . . 1 . . . . . . . . 4249 1 625 . 1 1 59 59 GLU HB2 H 1 1.87 . . 2 . . . . . . . . 4249 1 626 . 1 1 59 59 GLU C C 13 176.71 . . 1 . . . . . . . . 4249 1 627 . 1 1 59 59 GLU CA C 13 57.35 . . 1 . . . . . . . . 4249 1 628 . 1 1 59 59 GLU CB C 13 32.52 . . 1 . . . . . . . . 4249 1 629 . 1 1 59 59 GLU CG C 13 35.94 . . 1 . . . . . . . . 4249 1 630 . 1 1 59 59 GLU N N 15 114.66 . . 1 . . . . . . . . 4249 1 631 . 1 1 60 60 LYS H H 1 7.91 . . 1 . . . . . . . . 4249 1 632 . 1 1 60 60 LYS HA H 1 4.49 . . 1 . . . . . . . . 4249 1 633 . 1 1 60 60 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 4249 1 634 . 1 1 60 60 LYS HB3 H 1 1.89 . . 2 . . . . . . . . 4249 1 635 . 1 1 60 60 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 4249 1 636 . 1 1 60 60 LYS HG3 H 1 1.34 . . 2 . . . . . . . . 4249 1 637 . 1 1 60 60 LYS HD2 H 1 1.63 . . 2 . . . . . . . . 4249 1 638 . 1 1 60 60 LYS HE2 H 1 2.94 . . 2 . . . . . . . . 4249 1 639 . 1 1 60 60 LYS C C 13 176.61 . . 1 . . . . . . . . 4249 1 640 . 1 1 60 60 LYS CA C 13 55.89 . . 1 . . . . . . . . 4249 1 641 . 1 1 60 60 LYS CB C 13 33.36 . . 1 . . . . . . . . 4249 1 642 . 1 1 60 60 LYS CG C 13 24.81 . . 1 . . . . . . . . 4249 1 643 . 1 1 60 60 LYS CD C 13 28.97 . . 1 . . . . . . . . 4249 1 644 . 1 1 60 60 LYS CE C 13 42.07 . . 1 . . . . . . . . 4249 1 645 . 1 1 60 60 LYS N N 15 117.24 . . 1 . . . . . . . . 4249 1 646 . 1 1 61 61 ARG H H 1 6.90 . . 1 . . . . . . . . 4249 1 647 . 1 1 61 61 ARG HA H 1 4.13 . . 1 . . . . . . . . 4249 1 648 . 1 1 61 61 ARG HB2 H 1 1.69 . . 2 . . . . . . . . 4249 1 649 . 1 1 61 61 ARG HG2 H 1 2.18 . . 2 . . . . . . . . 4249 1 650 . 1 1 61 61 ARG HD2 H 1 3.06 . . 2 . . . . . . . . 4249 1 651 . 1 1 61 61 ARG C C 13 174.51 . . 1 . . . . . . . . 4249 1 652 . 1 1 61 61 ARG CA C 13 56.14 . . 1 . . . . . . . . 4249 1 653 . 1 1 61 61 ARG CB C 13 30.50 . . 1 . . . . . . . . 4249 1 654 . 1 1 61 61 ARG CG C 13 28.78 . . 1 . . . . . . . . 4249 1 655 . 1 1 61 61 ARG CD C 13 43.36 . . 1 . . . . . . . . 4249 1 656 . 1 1 61 61 ARG N N 15 120.67 . . 1 . . . . . . . . 4249 1 657 . 1 1 62 62 GLU H H 1 8.18 . . 1 . . . . . . . . 4249 1 658 . 1 1 62 62 GLU HA H 1 4.16 . . 1 . . . . . . . . 4249 1 659 . 1 1 62 62 GLU C C 13 175.44 . . 1 . . . . . . . . 4249 1 660 . 1 1 62 62 GLU CA C 13 54.60 . . 1 . . . . . . . . 4249 1 661 . 1 1 62 62 GLU CB C 13 30.66 . . 1 . . . . . . . . 4249 1 662 . 1 1 62 62 GLU N N 15 123.08 . . 1 . . . . . . . . 4249 1 663 . 1 1 63 63 PRO HA H 1 5.03 . . 1 . . . . . . . . 4249 1 664 . 1 1 63 63 PRO HG2 H 1 1.99 . . 2 . . . . . . . . 4249 1 665 . 1 1 63 63 PRO HD2 H 1 3.45 . . 2 . . . . . . . . 4249 1 666 . 1 1 63 63 PRO HD3 H 1 3.54 . . 2 . . . . . . . . 4249 1 667 . 1 1 63 63 PRO CA C 13 60.80 . . 1 . . . . . . . . 4249 1 668 . 1 1 63 63 PRO CD C 13 50.17 . . 1 . . . . . . . . 4249 1 669 . 1 1 64 64 PRO HA H 1 4.45 . . 1 . . . . . . . . 4249 1 670 . 1 1 64 64 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 4249 1 671 . 1 1 64 64 PRO HG2 H 1 1.88 . . 2 . . . . . . . . 4249 1 672 . 1 1 64 64 PRO HD2 H 1 3.64 . . 2 . . . . . . . . 4249 1 673 . 1 1 64 64 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 4249 1 674 . 1 1 64 64 PRO C C 13 177.39 . . 1 . . . . . . . . 4249 1 675 . 1 1 64 64 PRO CA C 13 62.99 . . 1 . . . . . . . . 4249 1 676 . 1 1 64 64 PRO CB C 13 31.83 . . 1 . . . . . . . . 4249 1 677 . 1 1 64 64 PRO CG C 13 27.76 . . 1 . . . . . . . . 4249 1 678 . 1 1 64 64 PRO CD C 13 50.31 . . 1 . . . . . . . . 4249 1 679 . 1 1 65 65 LEU H H 1 8.11 . . 1 . . . . . . . . 4249 1 680 . 1 1 65 65 LEU HA H 1 4.58 . . 1 . . . . . . . . 4249 1 681 . 1 1 65 65 LEU HB2 H 1 1.92 . . 2 . . . . . . . . 4249 1 682 . 1 1 65 65 LEU HB3 H 1 2.24 . . 2 . . . . . . . . 4249 1 683 . 1 1 65 65 LEU HG H 1 1.93 . . 1 . . . . . . . . 4249 1 684 . 1 1 65 65 LEU HD11 H 1 0.89 . . 1 . . . . . . . . 4249 1 685 . 1 1 65 65 LEU HD12 H 1 0.89 . . 1 . . . . . . . . 4249 1 686 . 1 1 65 65 LEU HD13 H 1 0.89 . . 1 . . . . . . . . 4249 1 687 . 1 1 65 65 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4249 1 688 . 1 1 65 65 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4249 1 689 . 1 1 65 65 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4249 1 690 . 1 1 65 65 LEU C C 13 178.07 . . 1 . . . . . . . . 4249 1 691 . 1 1 65 65 LEU CA C 13 55.24 . . 1 . . . . . . . . 4249 1 692 . 1 1 65 65 LEU CB C 13 42.48 . . 1 . . . . . . . . 4249 1 693 . 1 1 65 65 LEU CG C 13 28.65 . . 1 . . . . . . . . 4249 1 694 . 1 1 65 65 LEU CD1 C 13 26.06 . . 1 . . . . . . . . 4249 1 695 . 1 1 65 65 LEU CD2 C 13 23.92 . . 1 . . . . . . . . 4249 1 696 . 1 1 65 65 LEU N N 15 122.95 . . 1 . . . . . . . . 4249 1 697 . 1 1 66 66 LYS H H 1 9.62 . . 1 . . . . . . . . 4249 1 698 . 1 1 66 66 LYS HA H 1 4.28 . . 1 . . . . . . . . 4249 1 699 . 1 1 66 66 LYS HB2 H 1 2.06 . . 2 . . . . . . . . 4249 1 700 . 1 1 66 66 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 4249 1 701 . 1 1 66 66 LYS HG2 H 1 1.26 . . 2 . . . . . . . . 4249 1 702 . 1 1 66 66 LYS HD2 H 1 1.47 . . 2 . . . . . . . . 4249 1 703 . 1 1 66 66 LYS HE2 H 1 2.86 . . 2 . . . . . . . . 4249 1 704 . 1 1 66 66 LYS C C 13 173.92 . . 1 . . . . . . . . 4249 1 705 . 1 1 66 66 LYS CA C 13 56.23 . . 1 . . . . . . . . 4249 1 706 . 1 1 66 66 LYS CB C 13 34.42 . . 1 . . . . . . . . 4249 1 707 . 1 1 66 66 LYS CG C 13 26.27 . . 1 . . . . . . . . 4249 1 708 . 1 1 66 66 LYS CD C 13 29.16 . . 1 . . . . . . . . 4249 1 709 . 1 1 66 66 LYS CE C 13 42.17 . . 1 . . . . . . . . 4249 1 710 . 1 1 66 66 LYS N N 15 125.77 . . 1 . . . . . . . . 4249 1 711 . 1 1 67 67 PHE H H 1 6.96 . . 1 . . . . . . . . 4249 1 712 . 1 1 67 67 PHE HA H 1 5.38 . . 1 . . . . . . . . 4249 1 713 . 1 1 67 67 PHE HB2 H 1 1.75 . . 2 . . . . . . . . 4249 1 714 . 1 1 67 67 PHE HB3 H 1 2.37 . . 2 . . . . . . . . 4249 1 715 . 1 1 67 67 PHE HD1 H 1 6.85 . . 3 . . . . . . . . 4249 1 716 . 1 1 67 67 PHE HE1 H 1 7.32 . . 3 . . . . . . . . 4249 1 717 . 1 1 67 67 PHE HZ H 1 6.72 . . 1 . . . . . . . . 4249 1 718 . 1 1 67 67 PHE C C 13 175.49 . . 1 . . . . . . . . 4249 1 719 . 1 1 67 67 PHE CA C 13 54.67 . . 1 . . . . . . . . 4249 1 720 . 1 1 67 67 PHE CB C 13 41.14 . . 1 . . . . . . . . 4249 1 721 . 1 1 67 67 PHE N N 15 112.32 . . 1 . . . . . . . . 4249 1 722 . 1 1 68 68 ILE H H 1 9.13 . . 1 . . . . . . . . 4249 1 723 . 1 1 68 68 ILE HA H 1 4.45 . . 1 . . . . . . . . 4249 1 724 . 1 1 68 68 ILE HB H 1 1.68 . . 1 . . . . . . . . 4249 1 725 . 1 1 68 68 ILE HG12 H 1 1.30 . . 2 . . . . . . . . 4249 1 726 . 1 1 68 68 ILE HG13 H 1 0.89 . . 2 . . . . . . . . 4249 1 727 . 1 1 68 68 ILE HG21 H 1 0.58 . . 1 . . . . . . . . 4249 1 728 . 1 1 68 68 ILE HG22 H 1 0.58 . . 1 . . . . . . . . 4249 1 729 . 1 1 68 68 ILE HG23 H 1 0.58 . . 1 . . . . . . . . 4249 1 730 . 1 1 68 68 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 4249 1 731 . 1 1 68 68 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 4249 1 732 . 1 1 68 68 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 4249 1 733 . 1 1 68 68 ILE C C 13 174.88 . . 1 . . . . . . . . 4249 1 734 . 1 1 68 68 ILE CA C 13 59.39 . . 1 . . . . . . . . 4249 1 735 . 1 1 68 68 ILE CB C 13 41.84 . . 1 . . . . . . . . 4249 1 736 . 1 1 68 68 ILE CG1 C 13 27.09 . . 1 . . . . . . . . 4249 1 737 . 1 1 68 68 ILE CG2 C 13 17.81 . . 1 . . . . . . . . 4249 1 738 . 1 1 68 68 ILE CD1 C 13 14.12 . . 1 . . . . . . . . 4249 1 739 . 1 1 68 68 ILE N N 15 118.35 . . 1 . . . . . . . . 4249 1 740 . 1 1 69 69 VAL H H 1 8.44 . . 1 . . . . . . . . 4249 1 741 . 1 1 69 69 VAL HA H 1 4.88 . . 1 . . . . . . . . 4249 1 742 . 1 1 69 69 VAL HB H 1 1.96 . . 1 . . . . . . . . 4249 1 743 . 1 1 69 69 VAL HG11 H 1 0.87 . . 1 . . . . . . . . 4249 1 744 . 1 1 69 69 VAL HG12 H 1 0.87 . . 1 . . . . . . . . 4249 1 745 . 1 1 69 69 VAL HG13 H 1 0.87 . . 1 . . . . . . . . 4249 1 746 . 1 1 69 69 VAL HG21 H 1 1.03 . . 1 . . . . . . . . 4249 1 747 . 1 1 69 69 VAL HG22 H 1 1.03 . . 1 . . . . . . . . 4249 1 748 . 1 1 69 69 VAL HG23 H 1 1.03 . . 1 . . . . . . . . 4249 1 749 . 1 1 69 69 VAL C C 13 175.96 . . 1 . . . . . . . . 4249 1 750 . 1 1 69 69 VAL CA C 13 61.29 . . 1 . . . . . . . . 4249 1 751 . 1 1 69 69 VAL CB C 13 33.32 . . 1 . . . . . . . . 4249 1 752 . 1 1 69 69 VAL CG1 C 13 21.53 . . 1 . . . . . . . . 4249 1 753 . 1 1 69 69 VAL CG2 C 13 21.72 . . 1 . . . . . . . . 4249 1 754 . 1 1 69 69 VAL N N 15 123.59 . . 1 . . . . . . . . 4249 1 755 . 1 1 70 70 LYS H H 1 8.85 . . 1 . . . . . . . . 4249 1 756 . 1 1 70 70 LYS HA H 1 4.53 . . 1 . . . . . . . . 4249 1 757 . 1 1 70 70 LYS HB2 H 1 1.55 . . 2 . . . . . . . . 4249 1 758 . 1 1 70 70 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 4249 1 759 . 1 1 70 70 LYS HG2 H 1 1.33 . . 2 . . . . . . . . 4249 1 760 . 1 1 70 70 LYS HD2 H 1 1.60 . . 2 . . . . . . . . 4249 1 761 . 1 1 70 70 LYS HE2 H 1 2.90 . . 2 . . . . . . . . 4249 1 762 . 1 1 70 70 LYS C C 13 175.10 . . 1 . . . . . . . . 4249 1 763 . 1 1 70 70 LYS CA C 13 54.67 . . 1 . . . . . . . . 4249 1 764 . 1 1 70 70 LYS CB C 13 35.13 . . 1 . . . . . . . . 4249 1 765 . 1 1 70 70 LYS CG C 13 24.69 . . 1 . . . . . . . . 4249 1 766 . 1 1 70 70 LYS CD C 13 29.64 . . 1 . . . . . . . . 4249 1 767 . 1 1 70 70 LYS CE C 13 42.12 . . 1 . . . . . . . . 4249 1 768 . 1 1 70 70 LYS N N 15 128.95 . . 1 . . . . . . . . 4249 1 769 . 1 1 71 71 LYS H H 1 8.47 . . 1 . . . . . . . . 4249 1 770 . 1 1 71 71 LYS HA H 1 4.30 . . 1 . . . . . . . . 4249 1 771 . 1 1 71 71 LYS HB2 H 1 1.66 . . 2 . . . . . . . . 4249 1 772 . 1 1 71 71 LYS HG2 H 1 1.38 . . 2 . . . . . . . . 4249 1 773 . 1 1 71 71 LYS HE2 H 1 2.92 . . 2 . . . . . . . . 4249 1 774 . 1 1 71 71 LYS C C 13 176.27 . . 1 . . . . . . . . 4249 1 775 . 1 1 71 71 LYS CA C 13 56.04 . . 1 . . . . . . . . 4249 1 776 . 1 1 71 71 LYS CB C 13 32.80 . . 1 . . . . . . . . 4249 1 777 . 1 1 71 71 LYS CG C 13 24.50 . . 1 . . . . . . . . 4249 1 778 . 1 1 71 71 LYS CD C 13 29.13 . . 1 . . . . . . . . 4249 1 779 . 1 1 71 71 LYS CE C 13 41.92 . . 1 . . . . . . . . 4249 1 780 . 1 1 71 71 LYS N N 15 125.41 . . 1 . . . . . . . . 4249 1 781 . 1 1 72 72 ASN H H 1 8.76 . . 1 . . . . . . . . 4249 1 782 . 1 1 72 72 ASN HA H 1 4.84 . . 1 . . . . . . . . 4249 1 783 . 1 1 72 72 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4249 1 784 . 1 1 72 72 ASN HB3 H 1 2.65 . . 2 . . . . . . . . 4249 1 785 . 1 1 72 72 ASN HD21 H 1 7.01 . . 1 . . . . . . . . 4249 1 786 . 1 1 72 72 ASN HD22 H 1 7.67 . . 1 . . . . . . . . 4249 1 787 . 1 1 72 72 ASN C C 13 174.14 . . 1 . . . . . . . . 4249 1 788 . 1 1 72 72 ASN CA C 13 51.28 . . 1 . . . . . . . . 4249 1 789 . 1 1 72 72 ASN CB C 13 39.48 . . 1 . . . . . . . . 4249 1 790 . 1 1 72 72 ASN N N 15 123.37 . . 1 . . . . . . . . 4249 1 791 . 1 1 72 72 ASN ND2 N 15 114.00 . . 1 . . . . . . . . 4249 1 792 . 1 1 73 73 PRO HD2 H 1 3.83 . . 2 . . . . . . . . 4249 1 793 . 1 1 73 73 PRO HD3 H 1 3.98 . . 2 . . . . . . . . 4249 1 794 . 1 1 73 73 PRO CD C 13 50.95 . . 1 . . . . . . . . 4249 1 795 . 1 1 74 74 HIS HD2 H 1 6.93 . . 1 . . . . . . . . 4249 1 796 . 1 1 74 74 HIS CB C 13 31.08 . . 1 . . . . . . . . 4249 1 797 . 1 1 75 75 HIS HA H 1 3.98 . . 1 . . . . . . . . 4249 1 798 . 1 1 75 75 HIS HB2 H 1 2.27 . . 2 . . . . . . . . 4249 1 799 . 1 1 75 75 HIS HD2 H 1 7.25 . . 1 . . . . . . . . 4249 1 800 . 1 1 75 75 HIS C C 13 178.09 . . 1 . . . . . . . . 4249 1 801 . 1 1 75 75 HIS CA C 13 58.27 . . 1 . . . . . . . . 4249 1 802 . 1 1 75 75 HIS CB C 13 29.64 . . 1 . . . . . . . . 4249 1 803 . 1 1 77 77 GLN HA H 1 4.25 . . 1 . . . . . . . . 4249 1 804 . 1 1 77 77 GLN HB2 H 1 1.89 . . 2 . . . . . . . . 4249 1 805 . 1 1 77 77 GLN HB3 H 1 1.81 . . 2 . . . . . . . . 4249 1 806 . 1 1 77 77 GLN HG2 H 1 2.04 . . 2 . . . . . . . . 4249 1 807 . 1 1 77 77 GLN C C 13 176.00 . . 1 . . . . . . . . 4249 1 808 . 1 1 77 77 GLN CA C 13 56.57 . . 1 . . . . . . . . 4249 1 809 . 1 1 77 77 GLN CB C 13 28.70 . . 1 . . . . . . . . 4249 1 810 . 1 1 77 77 GLN CG C 13 33.45 . . 1 . . . . . . . . 4249 1 811 . 1 1 78 78 TRP H H 1 7.92 . . 1 . . . . . . . . 4249 1 812 . 1 1 78 78 TRP HA H 1 4.75 . . 1 . . . . . . . . 4249 1 813 . 1 1 78 78 TRP HB2 H 1 3.38 . . 2 . . . . . . . . 4249 1 814 . 1 1 78 78 TRP HB3 H 1 3.20 . . 2 . . . . . . . . 4249 1 815 . 1 1 78 78 TRP HD1 H 1 7.16 . . 1 . . . . . . . . 4249 1 816 . 1 1 78 78 TRP HE1 H 1 10.04 . . 1 . . . . . . . . 4249 1 817 . 1 1 78 78 TRP HE3 H 1 7.55 . . 1 . . . . . . . . 4249 1 818 . 1 1 78 78 TRP HZ2 H 1 7.37 . . 1 . . . . . . . . 4249 1 819 . 1 1 78 78 TRP C C 13 176.78 . . 1 . . . . . . . . 4249 1 820 . 1 1 78 78 TRP CA C 13 57.01 . . 1 . . . . . . . . 4249 1 821 . 1 1 78 78 TRP CB C 13 29.74 . . 1 . . . . . . . . 4249 1 822 . 1 1 78 78 TRP N N 15 120.62 . . 1 . . . . . . . . 4249 1 823 . 1 1 78 78 TRP NE1 N 15 129.62 . . 1 . . . . . . . . 4249 1 824 . 1 1 79 79 GLY H H 1 8.14 . . 1 . . . . . . . . 4249 1 825 . 1 1 79 79 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 4249 1 826 . 1 1 79 79 GLY HA3 H 1 3.89 . . 2 . . . . . . . . 4249 1 827 . 1 1 79 79 GLY C C 13 173.58 . . 1 . . . . . . . . 4249 1 828 . 1 1 79 79 GLY CA C 13 45.33 . . 1 . . . . . . . . 4249 1 829 . 1 1 79 79 GLY N N 15 109.22 . . 1 . . . . . . . . 4249 1 830 . 1 1 80 80 ASP H H 1 8.17 . . 1 . . . . . . . . 4249 1 831 . 1 1 80 80 ASP HA H 1 4.68 . . 1 . . . . . . . . 4249 1 832 . 1 1 80 80 ASP HB2 H 1 2.50 . . 2 . . . . . . . . 4249 1 833 . 1 1 80 80 ASP C C 13 176.01 . . 1 . . . . . . . . 4249 1 834 . 1 1 80 80 ASP CA C 13 54.61 . . 1 . . . . . . . . 4249 1 835 . 1 1 80 80 ASP CB C 13 41.46 . . 1 . . . . . . . . 4249 1 836 . 1 1 80 80 ASP N N 15 121.21 . . 1 . . . . . . . . 4249 1 837 . 1 1 81 81 MET H H 1 8.50 . . 1 . . . . . . . . 4249 1 838 . 1 1 81 81 MET HA H 1 4.74 . . 1 . . . . . . . . 4249 1 839 . 1 1 81 81 MET HB2 H 1 2.02 . . 2 . . . . . . . . 4249 1 840 . 1 1 81 81 MET HG2 H 1 2.53 . . 2 . . . . . . . . 4249 1 841 . 1 1 81 81 MET HE1 H 1 2.06 . . 1 . . . . . . . . 4249 1 842 . 1 1 81 81 MET HE2 H 1 2.06 . . 1 . . . . . . . . 4249 1 843 . 1 1 81 81 MET HE3 H 1 2.06 . . 1 . . . . . . . . 4249 1 844 . 1 1 81 81 MET C C 13 174.35 . . 1 . . . . . . . . 4249 1 845 . 1 1 81 81 MET CA C 13 54.65 . . 1 . . . . . . . . 4249 1 846 . 1 1 81 81 MET CB C 13 34.78 . . 1 . . . . . . . . 4249 1 847 . 1 1 81 81 MET CG C 13 31.72 . . 1 . . . . . . . . 4249 1 848 . 1 1 81 81 MET CE C 13 16.97 . . 1 . . . . . . . . 4249 1 849 . 1 1 81 81 MET N N 15 121.18 . . 1 . . . . . . . . 4249 1 850 . 1 1 82 82 LYS H H 1 8.15 . . 1 . . . . . . . . 4249 1 851 . 1 1 82 82 LYS HA H 1 4.74 . . 1 . . . . . . . . 4249 1 852 . 1 1 82 82 LYS HB2 H 1 2.04 . . 2 . . . . . . . . 4249 1 853 . 1 1 82 82 LYS HE2 H 1 2.33 . . 2 . . . . . . . . 4249 1 854 . 1 1 82 82 LYS C C 13 174.97 . . 1 . . . . . . . . 4249 1 855 . 1 1 82 82 LYS CA C 13 56.22 . . 1 . . . . . . . . 4249 1 856 . 1 1 82 82 LYS CB C 13 34.80 . . 1 . . . . . . . . 4249 1 857 . 1 1 82 82 LYS CG C 13 26.30 . . 1 . . . . . . . . 4249 1 858 . 1 1 82 82 LYS CE C 13 41.82 . . 1 . . . . . . . . 4249 1 859 . 1 1 82 82 LYS N N 15 124.18 . . 1 . . . . . . . . 4249 1 860 . 1 1 83 83 LEU H H 1 9.21 . . 1 . . . . . . . . 4249 1 861 . 1 1 83 83 LEU HA H 1 5.07 . . 1 . . . . . . . . 4249 1 862 . 1 1 83 83 LEU HB2 H 1 1.38 . . 2 . . . . . . . . 4249 1 863 . 1 1 83 83 LEU HG H 1 1.56 . . 1 . . . . . . . . 4249 1 864 . 1 1 83 83 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4249 1 865 . 1 1 83 83 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4249 1 866 . 1 1 83 83 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4249 1 867 . 1 1 83 83 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 4249 1 868 . 1 1 83 83 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 4249 1 869 . 1 1 83 83 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 4249 1 870 . 1 1 83 83 LEU C C 13 174.95 . . 1 . . . . . . . . 4249 1 871 . 1 1 83 83 LEU CA C 13 53.78 . . 1 . . . . . . . . 4249 1 872 . 1 1 83 83 LEU CB C 13 44.33 . . 1 . . . . . . . . 4249 1 873 . 1 1 83 83 LEU CG C 13 26.31 . . 1 . . . . . . . . 4249 1 874 . 1 1 83 83 LEU CD1 C 13 26.30 . . 1 . . . . . . . . 4249 1 875 . 1 1 83 83 LEU CD2 C 13 24.79 . . 1 . . . . . . . . 4249 1 876 . 1 1 83 83 LEU N N 15 123.27 . . 1 . . . . . . . . 4249 1 877 . 1 1 84 84 TYR H H 1 9.24 . . 1 . . . . . . . . 4249 1 878 . 1 1 84 84 TYR HA H 1 4.82 . . 1 . . . . . . . . 4249 1 879 . 1 1 84 84 TYR HB2 H 1 3.09 . . 2 . . . . . . . . 4249 1 880 . 1 1 84 84 TYR HB3 H 1 2.27 . . 2 . . . . . . . . 4249 1 881 . 1 1 84 84 TYR HD1 H 1 7.18 . . 3 . . . . . . . . 4249 1 882 . 1 1 84 84 TYR HE1 H 1 6.45 . . 3 . . . . . . . . 4249 1 883 . 1 1 84 84 TYR C C 13 174.99 . . 1 . . . . . . . . 4249 1 884 . 1 1 84 84 TYR CA C 13 56.54 . . 1 . . . . . . . . 4249 1 885 . 1 1 84 84 TYR CB C 13 42.79 . . 1 . . . . . . . . 4249 1 886 . 1 1 84 84 TYR CE1 C 13 116.54 . . 1 . . . . . . . . 4249 1 887 . 1 1 84 84 TYR N N 15 120.34 . . 1 . . . . . . . . 4249 1 888 . 1 1 85 85 LEU H H 1 9.32 . . 1 . . . . . . . . 4249 1 889 . 1 1 85 85 LEU HA H 1 4.15 . . 1 . . . . . . . . 4249 1 890 . 1 1 85 85 LEU HB2 H 1 1.41 . . 2 . . . . . . . . 4249 1 891 . 1 1 85 85 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 4249 1 892 . 1 1 85 85 LEU HG H 1 1.04 . . 1 . . . . . . . . 4249 1 893 . 1 1 85 85 LEU HD11 H 1 0.58 . . 1 . . . . . . . . 4249 1 894 . 1 1 85 85 LEU HD12 H 1 0.58 . . 1 . . . . . . . . 4249 1 895 . 1 1 85 85 LEU HD13 H 1 0.58 . . 1 . . . . . . . . 4249 1 896 . 1 1 85 85 LEU HD21 H 1 0.67 . . 1 . . . . . . . . 4249 1 897 . 1 1 85 85 LEU HD22 H 1 0.67 . . 1 . . . . . . . . 4249 1 898 . 1 1 85 85 LEU HD23 H 1 0.67 . . 1 . . . . . . . . 4249 1 899 . 1 1 85 85 LEU C C 13 178.26 . . 1 . . . . . . . . 4249 1 900 . 1 1 85 85 LEU CA C 13 54.47 . . 1 . . . . . . . . 4249 1 901 . 1 1 85 85 LEU CB C 13 41.57 . . 1 . . . . . . . . 4249 1 902 . 1 1 85 85 LEU CG C 13 26.33 . . 1 . . . . . . . . 4249 1 903 . 1 1 85 85 LEU CD1 C 13 26.08 . . 1 . . . . . . . . 4249 1 904 . 1 1 85 85 LEU CD2 C 13 26.66 . . 1 . . . . . . . . 4249 1 905 . 1 1 85 85 LEU N N 15 123.65 . . 1 . . . . . . . . 4249 1 906 . 1 1 86 86 LYS H H 1 8.76 . . 1 . . . . . . . . 4249 1 907 . 1 1 86 86 LYS HA H 1 3.55 . . 1 . . . . . . . . 4249 1 908 . 1 1 86 86 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4249 1 909 . 1 1 86 86 LYS C C 13 177.59 . . 1 . . . . . . . . 4249 1 910 . 1 1 86 86 LYS CA C 13 61.59 . . 1 . . . . . . . . 4249 1 911 . 1 1 86 86 LYS CB C 13 32.35 . . 1 . . . . . . . . 4249 1 912 . 1 1 86 86 LYS CG C 13 21.83 . . 1 . . . . . . . . 4249 1 913 . 1 1 86 86 LYS CD C 13 25.58 . . 1 . . . . . . . . 4249 1 914 . 1 1 86 86 LYS CE C 13 42.35 . . 1 . . . . . . . . 4249 1 915 . 1 1 86 86 LYS N N 15 132.27 . . 1 . . . . . . . . 4249 1 916 . 1 1 87 87 LEU H H 1 9.22 . . 1 . . . . . . . . 4249 1 917 . 1 1 87 87 LEU HA H 1 4.04 . . 1 . . . . . . . . 4249 1 918 . 1 1 87 87 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4249 1 919 . 1 1 87 87 LEU HB3 H 1 1.56 . . 2 . . . . . . . . 4249 1 920 . 1 1 87 87 LEU HG H 1 1.81 . . 1 . . . . . . . . 4249 1 921 . 1 1 87 87 LEU HD11 H 1 0.88 . . 1 . . . . . . . . 4249 1 922 . 1 1 87 87 LEU HD12 H 1 0.88 . . 1 . . . . . . . . 4249 1 923 . 1 1 87 87 LEU HD13 H 1 0.88 . . 1 . . . . . . . . 4249 1 924 . 1 1 87 87 LEU HD21 H 1 0.97 . . 1 . . . . . . . . 4249 1 925 . 1 1 87 87 LEU HD22 H 1 0.97 . . 1 . . . . . . . . 4249 1 926 . 1 1 87 87 LEU HD23 H 1 0.97 . . 1 . . . . . . . . 4249 1 927 . 1 1 87 87 LEU C C 13 179.71 . . 1 . . . . . . . . 4249 1 928 . 1 1 87 87 LEU CA C 13 58.77 . . 1 . . . . . . . . 4249 1 929 . 1 1 87 87 LEU CB C 13 42.11 . . 1 . . . . . . . . 4249 1 930 . 1 1 87 87 LEU CG C 13 25.88 . . 1 . . . . . . . . 4249 1 931 . 1 1 87 87 LEU CD1 C 13 25.77 . . 1 . . . . . . . . 4249 1 932 . 1 1 87 87 LEU CD2 C 13 26.19 . . 1 . . . . . . . . 4249 1 933 . 1 1 87 87 LEU N N 15 117.85 . . 1 . . . . . . . . 4249 1 934 . 1 1 88 88 GLN H H 1 7.12 . . 1 . . . . . . . . 4249 1 935 . 1 1 88 88 GLN HA H 1 4.09 . . 1 . . . . . . . . 4249 1 936 . 1 1 88 88 GLN HB2 H 1 2.33 . . 2 . . . . . . . . 4249 1 937 . 1 1 88 88 GLN HG2 H 1 2.55 . . 2 . . . . . . . . 4249 1 938 . 1 1 88 88 GLN HE21 H 1 6.76 . . 1 . . . . . . . . 4249 1 939 . 1 1 88 88 GLN HE22 H 1 7.49 . . 1 . . . . . . . . 4249 1 940 . 1 1 88 88 GLN C C 13 178.47 . . 1 . . . . . . . . 4249 1 941 . 1 1 88 88 GLN CA C 13 58.24 . . 1 . . . . . . . . 4249 1 942 . 1 1 88 88 GLN CB C 13 27.35 . . 1 . . . . . . . . 4249 1 943 . 1 1 88 88 GLN CG C 13 35.27 . . 1 . . . . . . . . 4249 1 944 . 1 1 88 88 GLN N N 15 117.13 . . 1 . . . . . . . . 4249 1 945 . 1 1 88 88 GLN NE2 N 15 112.35 . . 1 . . . . . . . . 4249 1 946 . 1 1 89 89 ILE H H 1 7.66 . . 1 . . . . . . . . 4249 1 947 . 1 1 89 89 ILE HA H 1 3.45 . . 1 . . . . . . . . 4249 1 948 . 1 1 89 89 ILE HB H 1 2.16 . . 1 . . . . . . . . 4249 1 949 . 1 1 89 89 ILE HG12 H 1 1.56 . . 2 . . . . . . . . 4249 1 950 . 1 1 89 89 ILE HG13 H 1 0.88 . . 2 . . . . . . . . 4249 1 951 . 1 1 89 89 ILE HG21 H 1 0.23 . . 1 . . . . . . . . 4249 1 952 . 1 1 89 89 ILE HG22 H 1 0.23 . . 1 . . . . . . . . 4249 1 953 . 1 1 89 89 ILE HG23 H 1 0.23 . . 1 . . . . . . . . 4249 1 954 . 1 1 89 89 ILE HD11 H 1 0.13 . . 1 . . . . . . . . 4249 1 955 . 1 1 89 89 ILE HD12 H 1 0.13 . . 1 . . . . . . . . 4249 1 956 . 1 1 89 89 ILE HD13 H 1 0.13 . . 1 . . . . . . . . 4249 1 957 . 1 1 89 89 ILE C C 13 177.27 . . 1 . . . . . . . . 4249 1 958 . 1 1 89 89 ILE CA C 13 60.90 . . 1 . . . . . . . . 4249 1 959 . 1 1 89 89 ILE CB C 13 34.27 . . 1 . . . . . . . . 4249 1 960 . 1 1 89 89 ILE CG1 C 13 25.84 . . 1 . . . . . . . . 4249 1 961 . 1 1 89 89 ILE CG2 C 13 17.63 . . 1 . . . . . . . . 4249 1 962 . 1 1 89 89 ILE CD1 C 13 8.89 . . 1 . . . . . . . . 4249 1 963 . 1 1 89 89 ILE N N 15 124.38 . . 1 . . . . . . . . 4249 1 964 . 1 1 90 90 VAL H H 1 8.54 . . 1 . . . . . . . . 4249 1 965 . 1 1 90 90 VAL HA H 1 3.08 . . 1 . . . . . . . . 4249 1 966 . 1 1 90 90 VAL HB H 1 1.90 . . 1 . . . . . . . . 4249 1 967 . 1 1 90 90 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 4249 1 968 . 1 1 90 90 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 4249 1 969 . 1 1 90 90 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 4249 1 970 . 1 1 90 90 VAL HG21 H 1 0.81 . . 1 . . . . . . . . 4249 1 971 . 1 1 90 90 VAL HG22 H 1 0.81 . . 1 . . . . . . . . 4249 1 972 . 1 1 90 90 VAL HG23 H 1 0.81 . . 1 . . . . . . . . 4249 1 973 . 1 1 90 90 VAL C C 13 179.08 . . 1 . . . . . . . . 4249 1 974 . 1 1 90 90 VAL CA C 13 66.60 . . 1 . . . . . . . . 4249 1 975 . 1 1 90 90 VAL CB C 13 31.57 . . 1 . . . . . . . . 4249 1 976 . 1 1 90 90 VAL CG1 C 13 20.77 . . 1 . . . . . . . . 4249 1 977 . 1 1 90 90 VAL CG2 C 13 22.75 . . 1 . . . . . . . . 4249 1 978 . 1 1 90 90 VAL N N 15 121.32 . . 1 . . . . . . . . 4249 1 979 . 1 1 91 91 LYS H H 1 7.16 . . 1 . . . . . . . . 4249 1 980 . 1 1 91 91 LYS HA H 1 3.97 . . 1 . . . . . . . . 4249 1 981 . 1 1 91 91 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4249 1 982 . 1 1 91 91 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 4249 1 983 . 1 1 91 91 LYS HG2 H 1 1.33 . . 2 . . . . . . . . 4249 1 984 . 1 1 91 91 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4249 1 985 . 1 1 91 91 LYS HD2 H 1 1.68 . . 2 . . . . . . . . 4249 1 986 . 1 1 91 91 LYS HD3 H 1 1.55 . . 2 . . . . . . . . 4249 1 987 . 1 1 91 91 LYS HE2 H 1 2.96 . . 2 . . . . . . . . 4249 1 988 . 1 1 91 91 LYS C C 13 178.67 . . 1 . . . . . . . . 4249 1 989 . 1 1 91 91 LYS CA C 13 59.90 . . 1 . . . . . . . . 4249 1 990 . 1 1 91 91 LYS CB C 13 32.68 . . 1 . . . . . . . . 4249 1 991 . 1 1 91 91 LYS CG C 13 24.97 . . 1 . . . . . . . . 4249 1 992 . 1 1 91 91 LYS CD C 13 30.48 . . 1 . . . . . . . . 4249 1 993 . 1 1 91 91 LYS CE C 13 42.18 . . 1 . . . . . . . . 4249 1 994 . 1 1 91 91 LYS N N 15 119.28 . . 1 . . . . . . . . 4249 1 995 . 1 1 92 92 ARG H H 1 7.98 . . 1 . . . . . . . . 4249 1 996 . 1 1 92 92 ARG HA H 1 4.34 . . 1 . . . . . . . . 4249 1 997 . 1 1 92 92 ARG HB2 H 1 1.95 . . 2 . . . . . . . . 4249 1 998 . 1 1 92 92 ARG HG2 H 1 1.23 . . 2 . . . . . . . . 4249 1 999 . 1 1 92 92 ARG HD2 H 1 3.43 . . 2 . . . . . . . . 4249 1 1000 . 1 1 92 92 ARG C C 13 177.90 . . 1 . . . . . . . . 4249 1 1001 . 1 1 92 92 ARG CA C 13 56.44 . . 1 . . . . . . . . 4249 1 1002 . 1 1 92 92 ARG CB C 13 27.58 . . 1 . . . . . . . . 4249 1 1003 . 1 1 92 92 ARG CG C 13 25.37 . . 1 . . . . . . . . 4249 1 1004 . 1 1 92 92 ARG CD C 13 40.34 . . 1 . . . . . . . . 4249 1 1005 . 1 1 92 92 ARG N N 15 120.02 . . 1 . . . . . . . . 4249 1 1006 . 1 1 93 93 SER H H 1 8.91 . . 1 . . . . . . . . 4249 1 1007 . 1 1 93 93 SER HA H 1 4.29 . . 1 . . . . . . . . 4249 1 1008 . 1 1 93 93 SER C C 13 176.16 . . 1 . . . . . . . . 4249 1 1009 . 1 1 93 93 SER CA C 13 62.74 . . 1 . . . . . . . . 4249 1 1010 . 1 1 93 93 SER N N 15 116.65 . . 1 . . . . . . . . 4249 1 1011 . 1 1 94 94 LEU H H 1 7.81 . . 1 . . . . . . . . 4249 1 1012 . 1 1 94 94 LEU HA H 1 4.13 . . 1 . . . . . . . . 4249 1 1013 . 1 1 94 94 LEU HB2 H 1 1.96 . . 2 . . . . . . . . 4249 1 1014 . 1 1 94 94 LEU HB3 H 1 1.49 . . 2 . . . . . . . . 4249 1 1015 . 1 1 94 94 LEU HG H 1 1.86 . . 1 . . . . . . . . 4249 1 1016 . 1 1 94 94 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4249 1 1017 . 1 1 94 94 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4249 1 1018 . 1 1 94 94 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4249 1 1019 . 1 1 94 94 LEU HD21 H 1 0.80 . . 1 . . . . . . . . 4249 1 1020 . 1 1 94 94 LEU HD22 H 1 0.80 . . 1 . . . . . . . . 4249 1 1021 . 1 1 94 94 LEU HD23 H 1 0.80 . . 1 . . . . . . . . 4249 1 1022 . 1 1 94 94 LEU C C 13 180.66 . . 1 . . . . . . . . 4249 1 1023 . 1 1 94 94 LEU CA C 13 57.75 . . 1 . . . . . . . . 4249 1 1024 . 1 1 94 94 LEU CB C 13 41.27 . . 1 . . . . . . . . 4249 1 1025 . 1 1 94 94 LEU CG C 13 27.13 . . 1 . . . . . . . . 4249 1 1026 . 1 1 94 94 LEU CD1 C 13 25.07 . . 1 . . . . . . . . 4249 1 1027 . 1 1 94 94 LEU CD2 C 13 22.14 . . 1 . . . . . . . . 4249 1 1028 . 1 1 94 94 LEU N N 15 122.68 . . 1 . . . . . . . . 4249 1 1029 . 1 1 95 95 GLU H H 1 7.87 . . 1 . . . . . . . . 4249 1 1030 . 1 1 95 95 GLU HA H 1 3.99 . . 1 . . . . . . . . 4249 1 1031 . 1 1 95 95 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4249 1 1032 . 1 1 95 95 GLU HG2 H 1 2.60 . . 2 . . . . . . . . 4249 1 1033 . 1 1 95 95 GLU C C 13 178.74 . . 1 . . . . . . . . 4249 1 1034 . 1 1 95 95 GLU CA C 13 59.09 . . 1 . . . . . . . . 4249 1 1035 . 1 1 95 95 GLU CB C 13 29.57 . . 1 . . . . . . . . 4249 1 1036 . 1 1 95 95 GLU CG C 13 36.47 . . 1 . . . . . . . . 4249 1 1037 . 1 1 95 95 GLU N N 15 121.69 . . 1 . . . . . . . . 4249 1 1038 . 1 1 96 96 VAL H H 1 7.89 . . 1 . . . . . . . . 4249 1 1039 . 1 1 96 96 VAL HA H 1 3.38 . . 1 . . . . . . . . 4249 1 1040 . 1 1 96 96 VAL HB H 1 1.87 . . 1 . . . . . . . . 4249 1 1041 . 1 1 96 96 VAL HG11 H 1 0.10 . . 1 . . . . . . . . 4249 1 1042 . 1 1 96 96 VAL HG12 H 1 0.10 . . 1 . . . . . . . . 4249 1 1043 . 1 1 96 96 VAL HG13 H 1 0.10 . . 1 . . . . . . . . 4249 1 1044 . 1 1 96 96 VAL HG21 H 1 0.76 . . 1 . . . . . . . . 4249 1 1045 . 1 1 96 96 VAL HG22 H 1 0.76 . . 1 . . . . . . . . 4249 1 1046 . 1 1 96 96 VAL HG23 H 1 0.76 . . 1 . . . . . . . . 4249 1 1047 . 1 1 96 96 VAL C C 13 177.95 . . 1 . . . . . . . . 4249 1 1048 . 1 1 96 96 VAL CA C 13 65.83 . . 1 . . . . . . . . 4249 1 1049 . 1 1 96 96 VAL CB C 13 32.38 . . 1 . . . . . . . . 4249 1 1050 . 1 1 96 96 VAL CG1 C 13 19.90 . . 1 . . . . . . . . 4249 1 1051 . 1 1 96 96 VAL CG2 C 13 21.96 . . 1 . . . . . . . . 4249 1 1052 . 1 1 96 96 VAL N N 15 119.06 . . 1 . . . . . . . . 4249 1 1053 . 1 1 97 97 TRP H H 1 8.58 . . 1 . . . . . . . . 4249 1 1054 . 1 1 97 97 TRP HA H 1 4.39 . . 1 . . . . . . . . 4249 1 1055 . 1 1 97 97 TRP HB2 H 1 3.45 . . 2 . . . . . . . . 4249 1 1056 . 1 1 97 97 TRP HB3 H 1 3.09 . . 2 . . . . . . . . 4249 1 1057 . 1 1 97 97 TRP HD1 H 1 7.65 . . 1 . . . . . . . . 4249 1 1058 . 1 1 97 97 TRP HE1 H 1 9.78 . . 1 . . . . . . . . 4249 1 1059 . 1 1 97 97 TRP HE3 H 1 7.34 . . 1 . . . . . . . . 4249 1 1060 . 1 1 97 97 TRP HZ2 H 1 7.66 . . 1 . . . . . . . . 4249 1 1061 . 1 1 97 97 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 4249 1 1062 . 1 1 97 97 TRP HH2 H 1 7.13 . . 1 . . . . . . . . 4249 1 1063 . 1 1 97 97 TRP C C 13 177.66 . . 1 . . . . . . . . 4249 1 1064 . 1 1 97 97 TRP CA C 13 58.84 . . 1 . . . . . . . . 4249 1 1065 . 1 1 97 97 TRP CB C 13 30.19 . . 1 . . . . . . . . 4249 1 1066 . 1 1 97 97 TRP N N 15 118.07 . . 1 . . . . . . . . 4249 1 1067 . 1 1 97 97 TRP NE1 N 15 128.53 . . 1 . . . . . . . . 4249 1 1068 . 1 1 98 98 GLY H H 1 8.07 . . 1 . . . . . . . . 4249 1 1069 . 1 1 98 98 GLY HA2 H 1 4.52 . . 2 . . . . . . . . 4249 1 1070 . 1 1 98 98 GLY HA3 H 1 3.70 . . 2 . . . . . . . . 4249 1 1071 . 1 1 98 98 GLY C C 13 174.09 . . 1 . . . . . . . . 4249 1 1072 . 1 1 98 98 GLY CA C 13 46.56 . . 1 . . . . . . . . 4249 1 1073 . 1 1 98 98 GLY N N 15 112.13 . . 1 . . . . . . . . 4249 1 1074 . 1 1 99 99 SER H H 1 7.50 . . 1 . . . . . . . . 4249 1 1075 . 1 1 99 99 SER HA H 1 4.59 . . 1 . . . . . . . . 4249 1 1076 . 1 1 99 99 SER HB2 H 1 4.22 . . 2 . . . . . . . . 4249 1 1077 . 1 1 99 99 SER HB3 H 1 4.25 . . 2 . . . . . . . . 4249 1 1078 . 1 1 99 99 SER C C 13 173.61 . . 1 . . . . . . . . 4249 1 1079 . 1 1 99 99 SER CA C 13 57.17 . . 1 . . . . . . . . 4249 1 1080 . 1 1 99 99 SER CB C 13 65.47 . . 1 . . . . . . . . 4249 1 1081 . 1 1 99 99 SER N N 15 110.64 . . 1 . . . . . . . . 4249 1 1082 . 1 1 100 100 GLN H H 1 9.20 . . 1 . . . . . . . . 4249 1 1083 . 1 1 100 100 GLN HA H 1 3.94 . . 1 . . . . . . . . 4249 1 1084 . 1 1 100 100 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 4249 1 1085 . 1 1 100 100 GLN HB3 H 1 1.93 . . 2 . . . . . . . . 4249 1 1086 . 1 1 100 100 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4249 1 1087 . 1 1 100 100 GLN HE21 H 1 6.69 . . 1 . . . . . . . . 4249 1 1088 . 1 1 100 100 GLN HE22 H 1 7.74 . . 1 . . . . . . . . 4249 1 1089 . 1 1 100 100 GLN C C 13 177.89 . . 1 . . . . . . . . 4249 1 1090 . 1 1 100 100 GLN CA C 13 58.37 . . 1 . . . . . . . . 4249 1 1091 . 1 1 100 100 GLN CB C 13 27.96 . . 1 . . . . . . . . 4249 1 1092 . 1 1 100 100 GLN CG C 13 33.14 . . 1 . . . . . . . . 4249 1 1093 . 1 1 100 100 GLN N N 15 123.24 . . 1 . . . . . . . . 4249 1 1094 . 1 1 100 100 GLN NE2 N 15 112.50 . . 1 . . . . . . . . 4249 1 1095 . 1 1 101 101 GLU H H 1 8.98 . . 1 . . . . . . . . 4249 1 1096 . 1 1 101 101 GLU HA H 1 3.90 . . 1 . . . . . . . . 4249 1 1097 . 1 1 101 101 GLU HB2 H 1 1.90 . . 2 . . . . . . . . 4249 1 1098 . 1 1 101 101 GLU HB3 H 1 2.10 . . 2 . . . . . . . . 4249 1 1099 . 1 1 101 101 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 4249 1 1100 . 1 1 101 101 GLU HG3 H 1 2.44 . . 2 . . . . . . . . 4249 1 1101 . 1 1 101 101 GLU C C 13 178.79 . . 1 . . . . . . . . 4249 1 1102 . 1 1 101 101 GLU CA C 13 60.53 . . 1 . . . . . . . . 4249 1 1103 . 1 1 101 101 GLU CB C 13 28.69 . . 1 . . . . . . . . 4249 1 1104 . 1 1 101 101 GLU CG C 13 37.22 . . 1 . . . . . . . . 4249 1 1105 . 1 1 101 101 GLU N N 15 119.56 . . 1 . . . . . . . . 4249 1 1106 . 1 1 102 102 ALA H H 1 8.03 . . 1 . . . . . . . . 4249 1 1107 . 1 1 102 102 ALA HA H 1 4.18 . . 1 . . . . . . . . 4249 1 1108 . 1 1 102 102 ALA HB1 H 1 1.72 . . 1 . . . . . . . . 4249 1 1109 . 1 1 102 102 ALA HB2 H 1 1.72 . . 1 . . . . . . . . 4249 1 1110 . 1 1 102 102 ALA HB3 H 1 1.72 . . 1 . . . . . . . . 4249 1 1111 . 1 1 102 102 ALA C C 13 180.61 . . 1 . . . . . . . . 4249 1 1112 . 1 1 102 102 ALA CA C 13 54.84 . . 1 . . . . . . . . 4249 1 1113 . 1 1 102 102 ALA CB C 13 18.95 . . 1 . . . . . . . . 4249 1 1114 . 1 1 102 102 ALA N N 15 123.42 . . 1 . . . . . . . . 4249 1 1115 . 1 1 103 103 LEU H H 1 7.28 . . 1 . . . . . . . . 4249 1 1116 . 1 1 103 103 LEU HA H 1 3.12 . . 1 . . . . . . . . 4249 1 1117 . 1 1 103 103 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 4249 1 1118 . 1 1 103 103 LEU HB3 H 1 1.18 . . 2 . . . . . . . . 4249 1 1119 . 1 1 103 103 LEU HG H 1 1.04 . . 1 . . . . . . . . 4249 1 1120 . 1 1 103 103 LEU HD11 H 1 0.29 . . 1 . . . . . . . . 4249 1 1121 . 1 1 103 103 LEU HD12 H 1 0.29 . . 1 . . . . . . . . 4249 1 1122 . 1 1 103 103 LEU HD13 H 1 0.29 . . 1 . . . . . . . . 4249 1 1123 . 1 1 103 103 LEU HD21 H 1 0.87 . . 1 . . . . . . . . 4249 1 1124 . 1 1 103 103 LEU HD22 H 1 0.87 . . 1 . . . . . . . . 4249 1 1125 . 1 1 103 103 LEU HD23 H 1 0.87 . . 1 . . . . . . . . 4249 1 1126 . 1 1 103 103 LEU C C 13 177.61 . . 1 . . . . . . . . 4249 1 1127 . 1 1 103 103 LEU CA C 13 57.83 . . 1 . . . . . . . . 4249 1 1128 . 1 1 103 103 LEU CB C 13 41.05 . . 1 . . . . . . . . 4249 1 1129 . 1 1 103 103 LEU CG C 13 25.46 . . 1 . . . . . . . . 4249 1 1130 . 1 1 103 103 LEU CD1 C 13 22.93 . . 1 . . . . . . . . 4249 1 1131 . 1 1 103 103 LEU CD2 C 13 25.71 . . 1 . . . . . . . . 4249 1 1132 . 1 1 103 103 LEU N N 15 122.36 . . 1 . . . . . . . . 4249 1 1133 . 1 1 104 104 GLU H H 1 8.24 . . 1 . . . . . . . . 4249 1 1134 . 1 1 104 104 GLU HA H 1 3.67 . . 1 . . . . . . . . 4249 1 1135 . 1 1 104 104 GLU HB2 H 1 1.93 . . 2 . . . . . . . . 4249 1 1136 . 1 1 104 104 GLU HG2 H 1 2.25 . . 2 . . . . . . . . 4249 1 1137 . 1 1 104 104 GLU HG3 H 1 2.36 . . 2 . . . . . . . . 4249 1 1138 . 1 1 104 104 GLU C C 13 179.82 . . 1 . . . . . . . . 4249 1 1139 . 1 1 104 104 GLU CA C 13 59.40 . . 1 . . . . . . . . 4249 1 1140 . 1 1 104 104 GLU CB C 13 28.69 . . 1 . . . . . . . . 4249 1 1141 . 1 1 104 104 GLU CG C 13 36.29 . . 1 . . . . . . . . 4249 1 1142 . 1 1 104 104 GLU N N 15 118.23 . . 1 . . . . . . . . 4249 1 1143 . 1 1 105 105 GLU H H 1 8.03 . . 1 . . . . . . . . 4249 1 1144 . 1 1 105 105 GLU HA H 1 3.96 . . 1 . . . . . . . . 4249 1 1145 . 1 1 105 105 GLU HB2 H 1 2.00 . . 2 . . . . . . . . 4249 1 1146 . 1 1 105 105 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 4249 1 1147 . 1 1 105 105 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 4249 1 1148 . 1 1 105 105 GLU C C 13 178.31 . . 1 . . . . . . . . 4249 1 1149 . 1 1 105 105 GLU CA C 13 59.21 . . 1 . . . . . . . . 4249 1 1150 . 1 1 105 105 GLU CB C 13 29.36 . . 1 . . . . . . . . 4249 1 1151 . 1 1 105 105 GLU CG C 13 36.32 . . 1 . . . . . . . . 4249 1 1152 . 1 1 105 105 GLU N N 15 120.53 . . 1 . . . . . . . . 4249 1 1153 . 1 1 106 106 ALA H H 1 7.47 . . 1 . . . . . . . . 4249 1 1154 . 1 1 106 106 ALA HA H 1 3.97 . . 1 . . . . . . . . 4249 1 1155 . 1 1 106 106 ALA HB1 H 1 0.86 . . 1 . . . . . . . . 4249 1 1156 . 1 1 106 106 ALA HB2 H 1 0.86 . . 1 . . . . . . . . 4249 1 1157 . 1 1 106 106 ALA HB3 H 1 0.86 . . 1 . . . . . . . . 4249 1 1158 . 1 1 106 106 ALA C C 13 180.47 . . 1 . . . . . . . . 4249 1 1159 . 1 1 106 106 ALA CA C 13 54.51 . . 1 . . . . . . . . 4249 1 1160 . 1 1 106 106 ALA CB C 13 18.40 . . 1 . . . . . . . . 4249 1 1161 . 1 1 106 106 ALA N N 15 122.83 . . 1 . . . . . . . . 4249 1 1162 . 1 1 107 107 LYS H H 1 7.92 . . 1 . . . . . . . . 4249 1 1163 . 1 1 107 107 LYS HA H 1 3.72 . . 1 . . . . . . . . 4249 1 1164 . 1 1 107 107 LYS HB2 H 1 1.71 . . 2 . . . . . . . . 4249 1 1165 . 1 1 107 107 LYS HE2 H 1 3.13 . . 2 . . . . . . . . 4249 1 1166 . 1 1 107 107 LYS C C 13 178.62 . . 1 . . . . . . . . 4249 1 1167 . 1 1 107 107 LYS CA C 13 59.50 . . 1 . . . . . . . . 4249 1 1168 . 1 1 107 107 LYS CB C 13 32.52 . . 1 . . . . . . . . 4249 1 1169 . 1 1 107 107 LYS CG C 13 25.76 . . 1 . . . . . . . . 4249 1 1170 . 1 1 107 107 LYS CD C 13 30.48 . . 1 . . . . . . . . 4249 1 1171 . 1 1 107 107 LYS CE C 13 41.72 . . 1 . . . . . . . . 4249 1 1172 . 1 1 107 107 LYS N N 15 118.89 . . 1 . . . . . . . . 4249 1 1173 . 1 1 108 108 GLU H H 1 7.68 . . 1 . . . . . . . . 4249 1 1174 . 1 1 108 108 GLU HA H 1 4.04 . . 1 . . . . . . . . 4249 1 1175 . 1 1 108 108 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4249 1 1176 . 1 1 108 108 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4249 1 1177 . 1 1 108 108 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4249 1 1178 . 1 1 108 108 GLU C C 13 178.43 . . 1 . . . . . . . . 4249 1 1179 . 1 1 108 108 GLU CA C 13 58.56 . . 1 . . . . . . . . 4249 1 1180 . 1 1 108 108 GLU CB C 13 29.59 . . 1 . . . . . . . . 4249 1 1181 . 1 1 108 108 GLU CG C 13 36.17 . . 1 . . . . . . . . 4249 1 1182 . 1 1 108 108 GLU N N 15 120.50 . . 1 . . . . . . . . 4249 1 1183 . 1 1 109 109 VAL H H 1 7.81 . . 1 . . . . . . . . 4249 1 1184 . 1 1 109 109 VAL HA H 1 3.90 . . 1 . . . . . . . . 4249 1 1185 . 1 1 109 109 VAL HB H 1 2.14 . . 1 . . . . . . . . 4249 1 1186 . 1 1 109 109 VAL HG11 H 1 0.94 . . 1 . . . . . . . . 4249 1 1187 . 1 1 109 109 VAL HG12 H 1 0.94 . . 1 . . . . . . . . 4249 1 1188 . 1 1 109 109 VAL HG13 H 1 0.94 . . 1 . . . . . . . . 4249 1 1189 . 1 1 109 109 VAL HG21 H 1 1.03 . . 1 . . . . . . . . 4249 1 1190 . 1 1 109 109 VAL HG22 H 1 1.03 . . 1 . . . . . . . . 4249 1 1191 . 1 1 109 109 VAL HG23 H 1 1.03 . . 1 . . . . . . . . 4249 1 1192 . 1 1 109 109 VAL C C 13 177.60 . . 1 . . . . . . . . 4249 1 1193 . 1 1 109 109 VAL CA C 13 64.31 . . 1 . . . . . . . . 4249 1 1194 . 1 1 109 109 VAL CB C 13 32.89 . . 1 . . . . . . . . 4249 1 1195 . 1 1 109 109 VAL CG1 C 13 21.16 . . 1 . . . . . . . . 4249 1 1196 . 1 1 109 109 VAL CG2 C 13 21.72 . . 1 . . . . . . . . 4249 1 1197 . 1 1 109 109 VAL N N 15 119.34 . . 1 . . . . . . . . 4249 1 1198 . 1 1 110 110 ARG H H 1 7.78 . . 1 . . . . . . . . 4249 1 1199 . 1 1 110 110 ARG HA H 1 4.17 . . 1 . . . . . . . . 4249 1 1200 . 1 1 110 110 ARG HB2 H 1 1.73 . . 2 . . . . . . . . 4249 1 1201 . 1 1 110 110 ARG HB3 H 1 1.82 . . 2 . . . . . . . . 4249 1 1202 . 1 1 110 110 ARG HG2 H 1 2.01 . . 2 . . . . . . . . 4249 1 1203 . 1 1 110 110 ARG HG3 H 1 2.07 . . 2 . . . . . . . . 4249 1 1204 . 1 1 110 110 ARG HD2 H 1 3.13 . . 2 . . . . . . . . 4249 1 1205 . 1 1 110 110 ARG C C 13 177.57 . . 1 . . . . . . . . 4249 1 1206 . 1 1 110 110 ARG CA C 13 57.42 . . 1 . . . . . . . . 4249 1 1207 . 1 1 110 110 ARG CB C 13 30.34 . . 1 . . . . . . . . 4249 1 1208 . 1 1 110 110 ARG CG C 13 27.11 . . 1 . . . . . . . . 4249 1 1209 . 1 1 110 110 ARG CD C 13 43.48 . . 1 . . . . . . . . 4249 1 1210 . 1 1 110 110 ARG N N 15 121.34 . . 1 . . . . . . . . 4249 1 1211 . 1 1 111 111 GLN H H 1 8.03 . . 1 . . . . . . . . 4249 1 1212 . 1 1 111 111 GLN HA H 1 4.12 . . 1 . . . . . . . . 4249 1 1213 . 1 1 111 111 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4249 1 1214 . 1 1 111 111 GLN HG2 H 1 2.38 . . 2 . . . . . . . . 4249 1 1215 . 1 1 111 111 GLN HE21 H 1 6.80 . . 1 . . . . . . . . 4249 1 1216 . 1 1 111 111 GLN HE22 H 1 7.52 . . 1 . . . . . . . . 4249 1 1217 . 1 1 111 111 GLN C C 13 176.91 . . 1 . . . . . . . . 4249 1 1218 . 1 1 111 111 GLN CA C 13 57.25 . . 1 . . . . . . . . 4249 1 1219 . 1 1 111 111 GLN CB C 13 28.77 . . 1 . . . . . . . . 4249 1 1220 . 1 1 111 111 GLN CG C 13 33.58 . . 1 . . . . . . . . 4249 1 1221 . 1 1 111 111 GLN N N 15 120.61 . . 1 . . . . . . . . 4249 1 1222 . 1 1 111 111 GLN NE2 N 15 112.83 . . 1 . . . . . . . . 4249 1 1223 . 1 1 112 112 GLU H H 1 8.36 . . 1 . . . . . . . . 4249 1 1224 . 1 1 112 112 GLU HA H 1 4.14 . . 1 . . . . . . . . 4249 1 1225 . 1 1 112 112 GLU HB2 H 1 1.99 . . 2 . . . . . . . . 4249 1 1226 . 1 1 112 112 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 4249 1 1227 . 1 1 112 112 GLU C C 13 177.30 . . 1 . . . . . . . . 4249 1 1228 . 1 1 112 112 GLU CA C 13 57.74 . . 1 . . . . . . . . 4249 1 1229 . 1 1 112 112 GLU CB C 13 29.82 . . 1 . . . . . . . . 4249 1 1230 . 1 1 112 112 GLU CG C 13 36.18 . . 1 . . . . . . . . 4249 1 1231 . 1 1 112 112 GLU N N 15 121.45 . . 1 . . . . . . . . 4249 1 1232 . 1 1 113 113 ASN H H 1 8.29 . . 1 . . . . . . . . 4249 1 1233 . 1 1 113 113 ASN HA H 1 4.61 . . 1 . . . . . . . . 4249 1 1234 . 1 1 113 113 ASN HB2 H 1 2.82 . . 2 . . . . . . . . 4249 1 1235 . 1 1 113 113 ASN HD21 H 1 6.92 . . 1 . . . . . . . . 4249 1 1236 . 1 1 113 113 ASN HD22 H 1 7.58 . . 1 . . . . . . . . 4249 1 1237 . 1 1 113 113 ASN CA C 13 53.97 . . 1 . . . . . . . . 4249 1 1238 . 1 1 113 113 ASN CB C 13 38.47 . . 1 . . . . . . . . 4249 1 1239 . 1 1 113 113 ASN N N 15 119.17 . . 1 . . . . . . . . 4249 1 1240 . 1 1 113 113 ASN ND2 N 15 113.37 . . 1 . . . . . . . . 4249 1 1241 . 1 1 114 114 ARG H H 1 8.14 . . 1 . . . . . . . . 4249 1 1242 . 1 1 114 114 ARG HA H 1 4.17 . . 1 . . . . . . . . 4249 1 1243 . 1 1 114 114 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 4249 1 1244 . 1 1 114 114 ARG HB3 H 1 1.83 . . 2 . . . . . . . . 4249 1 1245 . 1 1 114 114 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 4249 1 1246 . 1 1 114 114 ARG HG3 H 1 1.69 . . 2 . . . . . . . . 4249 1 1247 . 1 1 114 114 ARG HD2 H 1 3.17 . . 2 . . . . . . . . 4249 1 1248 . 1 1 114 114 ARG CA C 13 57.86 . . 1 . . . . . . . . 4249 1 1249 . 1 1 114 114 ARG CB C 13 30.40 . . 1 . . . . . . . . 4249 1 1250 . 1 1 114 114 ARG CG C 13 26.23 . . 1 . . . . . . . . 4249 1 1251 . 1 1 114 114 ARG CD C 13 43.36 . . 1 . . . . . . . . 4249 1 1252 . 1 1 114 114 ARG N N 15 121.73 . . 1 . . . . . . . . 4249 1 1253 . 1 1 115 115 GLU H H 1 8.25 . . 1 . . . . . . . . 4249 1 1254 . 1 1 115 115 GLU HA H 1 4.15 . . 1 . . . . . . . . 4249 1 1255 . 1 1 115 115 GLU HB2 H 1 1.99 . . 2 . . . . . . . . 4249 1 1256 . 1 1 115 115 GLU HB3 H 1 2.26 . . 2 . . . . . . . . 4249 1 1257 . 1 1 115 115 GLU HG2 H 1 2.26 . . 2 . . . . . . . . 4249 1 1258 . 1 1 115 115 GLU C C 13 177.61 . . 1 . . . . . . . . 4249 1 1259 . 1 1 115 115 GLU CA C 13 57.68 . . 1 . . . . . . . . 4249 1 1260 . 1 1 115 115 GLU CB C 13 29.87 . . 1 . . . . . . . . 4249 1 1261 . 1 1 115 115 GLU N N 15 120.70 . . 1 . . . . . . . . 4249 1 1262 . 1 1 116 116 LYS H H 1 8.02 . . 1 . . . . . . . . 4249 1 1263 . 1 1 116 116 LYS HA H 1 4.15 . . 1 . . . . . . . . 4249 1 1264 . 1 1 116 116 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 4249 1 1265 . 1 1 116 116 LYS HB3 H 1 1.44 . . 2 . . . . . . . . 4249 1 1266 . 1 1 116 116 LYS HG2 H 1 2.94 . . 2 . . . . . . . . 4249 1 1267 . 1 1 116 116 LYS HG3 H 1 2.71 . . 2 . . . . . . . . 4249 1 1268 . 1 1 116 116 LYS C C 13 177.44 . . 1 . . . . . . . . 4249 1 1269 . 1 1 116 116 LYS CA C 13 57.36 . . 1 . . . . . . . . 4249 1 1270 . 1 1 116 116 LYS CB C 13 32.64 . . 1 . . . . . . . . 4249 1 1271 . 1 1 116 116 LYS N N 15 120.91 . . 1 . . . . . . . . 4249 1 1272 . 1 1 117 117 MET H H 1 7.98 . . 1 . . . . . . . . 4249 1 1273 . 1 1 117 117 MET HA H 1 4.37 . . 1 . . . . . . . . 4249 1 1274 . 1 1 117 117 MET HB2 H 1 2.08 . . 2 . . . . . . . . 4249 1 1275 . 1 1 117 117 MET HG2 H 1 2.55 . . 2 . . . . . . . . 4249 1 1276 . 1 1 117 117 MET HE1 H 1 2.06 . . 1 . . . . . . . . 4249 1 1277 . 1 1 117 117 MET HE2 H 1 2.06 . . 1 . . . . . . . . 4249 1 1278 . 1 1 117 117 MET HE3 H 1 2.06 . . 1 . . . . . . . . 4249 1 1279 . 1 1 117 117 MET C C 13 176.62 . . 1 . . . . . . . . 4249 1 1280 . 1 1 117 117 MET CA C 13 55.95 . . 1 . . . . . . . . 4249 1 1281 . 1 1 117 117 MET CB C 13 32.56 . . 1 . . . . . . . . 4249 1 1282 . 1 1 117 117 MET CG C 13 29.60 . . 1 . . . . . . . . 4249 1 1283 . 1 1 117 117 MET CE C 13 16.97 . . 1 . . . . . . . . 4249 1 1284 . 1 1 117 117 MET N N 15 119.80 . . 1 . . . . . . . . 4249 1 1285 . 1 1 118 118 LYS H H 1 7.97 . . 1 . . . . . . . . 4249 1 1286 . 1 1 118 118 LYS HA H 1 4.22 . . 1 . . . . . . . . 4249 1 1287 . 1 1 118 118 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 4249 1 1288 . 1 1 118 118 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 4249 1 1289 . 1 1 118 118 LYS HG2 H 1 1.39 . . 2 . . . . . . . . 4249 1 1290 . 1 1 118 118 LYS HD2 H 1 2.91 . . 2 . . . . . . . . 4249 1 1291 . 1 1 118 118 LYS C C 13 176.62 . . 1 . . . . . . . . 4249 1 1292 . 1 1 118 118 LYS CA C 13 56.69 . . 1 . . . . . . . . 4249 1 1293 . 1 1 118 118 LYS CB C 13 32.82 . . 1 . . . . . . . . 4249 1 1294 . 1 1 118 118 LYS N N 15 121.94 . . 1 . . . . . . . . 4249 1 1295 . 1 1 119 119 GLN H H 1 8.10 . . 1 . . . . . . . . 4249 1 1296 . 1 1 119 119 GLN HA H 1 4.25 . . 1 . . . . . . . . 4249 1 1297 . 1 1 119 119 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4249 1 1298 . 1 1 119 119 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 4249 1 1299 . 1 1 119 119 GLN HG2 H 1 2.34 . . 2 . . . . . . . . 4249 1 1300 . 1 1 119 119 GLN HE21 H 1 6.74 . . 1 . . . . . . . . 4249 1 1301 . 1 1 119 119 GLN HE22 H 1 7.25 . . 1 . . . . . . . . 4249 1 1302 . 1 1 119 119 GLN C C 13 175.74 . . 1 . . . . . . . . 4249 1 1303 . 1 1 119 119 GLN CA C 13 55.75 . . 1 . . . . . . . . 4249 1 1304 . 1 1 119 119 GLN CB C 13 29.34 . . 1 . . . . . . . . 4249 1 1305 . 1 1 119 119 GLN CG C 13 33.71 . . 1 . . . . . . . . 4249 1 1306 . 1 1 119 119 GLN N N 15 121.09 . . 1 . . . . . . . . 4249 1 1307 . 1 1 119 119 GLN NE2 N 15 112.68 . . 1 . . . . . . . . 4249 1 1308 . 1 1 120 120 LYS H H 1 8.16 . . 1 . . . . . . . . 4249 1 1309 . 1 1 120 120 LYS HA H 1 4.20 . . 1 . . . . . . . . 4249 1 1310 . 1 1 120 120 LYS HB2 H 1 2.35 . . 2 . . . . . . . . 4249 1 1311 . 1 1 120 120 LYS HG2 H 1 1.32 . . 2 . . . . . . . . 4249 1 1312 . 1 1 120 120 LYS HD2 H 1 1.59 . . 2 . . . . . . . . 4249 1 1313 . 1 1 120 120 LYS HE2 H 1 2.91 . . 2 . . . . . . . . 4249 1 1314 . 1 1 120 120 LYS C C 13 175.98 . . 1 . . . . . . . . 4249 1 1315 . 1 1 120 120 LYS CA C 13 56.25 . . 1 . . . . . . . . 4249 1 1316 . 1 1 120 120 LYS CB C 13 33.07 . . 1 . . . . . . . . 4249 1 1317 . 1 1 120 120 LYS CG C 13 24.24 . . 1 . . . . . . . . 4249 1 1318 . 1 1 120 120 LYS CE C 13 41.88 . . 1 . . . . . . . . 4249 1 1319 . 1 1 120 120 LYS N N 15 123.42 . . 1 . . . . . . . . 4249 1 1320 . 1 1 121 121 LYS H H 1 8.17 . . 1 . . . . . . . . 4249 1 1321 . 1 1 121 121 LYS HA H 1 4.23 . . 1 . . . . . . . . 4249 1 1322 . 1 1 121 121 LYS HB2 H 1 1.60 . . 2 . . . . . . . . 4249 1 1323 . 1 1 121 121 LYS HB3 H 1 1.65 . . 2 . . . . . . . . 4249 1 1324 . 1 1 121 121 LYS HG2 H 1 1.30 . . 2 . . . . . . . . 4249 1 1325 . 1 1 121 121 LYS HG3 H 1 1.32 . . 2 . . . . . . . . 4249 1 1326 . 1 1 121 121 LYS HD2 H 1 1.60 . . 2 . . . . . . . . 4249 1 1327 . 1 1 121 121 LYS HE2 H 1 2.92 . . 2 . . . . . . . . 4249 1 1328 . 1 1 121 121 LYS C C 13 175.13 . . 1 . . . . . . . . 4249 1 1329 . 1 1 121 121 LYS CA C 13 56.14 . . 1 . . . . . . . . 4249 1 1330 . 1 1 121 121 LYS CB C 13 33.18 . . 1 . . . . . . . . 4249 1 1331 . 1 1 121 121 LYS CG C 13 24.46 . . 1 . . . . . . . . 4249 1 1332 . 1 1 121 121 LYS CD C 13 29.33 . . 1 . . . . . . . . 4249 1 1333 . 1 1 121 121 LYS CE C 13 42.02 . . 1 . . . . . . . . 4249 1 1334 . 1 1 121 121 LYS N N 15 123.74 . . 1 . . . . . . . . 4249 1 1335 . 1 1 122 122 PHE H H 1 7.69 . . 1 . . . . . . . . 4249 1 1336 . 1 1 122 122 PHE HA H 1 4.39 . . 1 . . . . . . . . 4249 1 1337 . 1 1 122 122 PHE HB2 H 1 3.13 . . 2 . . . . . . . . 4249 1 1338 . 1 1 122 122 PHE HB3 H 1 2.92 . . 2 . . . . . . . . 4249 1 1339 . 1 1 122 122 PHE HD1 H 1 7.31 . . 3 . . . . . . . . 4249 1 1340 . 1 1 122 122 PHE HE1 H 1 7.49 . . 3 . . . . . . . . 4249 1 1341 . 1 1 122 122 PHE C C 13 180.22 . . 1 . . . . . . . . 4249 1 1342 . 1 1 122 122 PHE CA C 13 58.98 . . 1 . . . . . . . . 4249 1 1343 . 1 1 122 122 PHE CB C 13 40.29 . . 1 . . . . . . . . 4249 1 1344 . 1 1 122 122 PHE N N 15 126.55 . . 1 . . . . . . . . 4249 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4249 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _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_one . 4249 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 3 3 PHE H H 1 . . 1 1 3 3 PHE HA H 1 . 10.2 . . . . . . . . . . . . . . 4249 1 2 3JHNHA . 1 1 4 4 ASP H H 1 . . 1 1 4 4 ASP HA H 1 . 9.8 . . . . . . . . . . . . . . 4249 1 3 3JHNHA . 1 1 5 5 TYR H H 1 . . 1 1 5 5 TYR HA H 1 . 6.3 . . . . . . . . . . . . . . 4249 1 4 3JHNHA . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL HA H 1 . 8.5 . . . . . . . . . . . . . . 4249 1 5 3JHNHA . 1 1 7 7 ILE H H 1 . . 1 1 7 7 ILE HA H 1 . 6.7 . . . . . . . . . . . . . . 4249 1 6 3JHNHA . 1 1 8 8 CYS H H 1 . . 1 1 8 8 CYS HA H 1 . 4.1 . . . . . . . . . . . . . . 4249 1 7 3JHNHA . 1 1 9 9 GLU H H 1 . . 1 1 9 9 GLU HA H 1 . 5.1 . . . . . . . . . . . . . . 4249 1 8 3JHNHA . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU HA H 1 . 9.3 . . . . . . . . . . . . . . 4249 1 9 3JHNHA . 1 1 11 11 CYS H H 1 . . 1 1 11 11 CYS HA H 1 . 8.3 . . . . . . . . . . . . . . 4249 1 10 3JHNHA . 1 1 13 13 LYS H H 1 . . 1 1 13 13 LYS HA H 1 . 6.9 . . . . . . . . . . . . . . 4249 1 11 3JHNHA . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU HA H 1 . 5.6 . . . . . . . . . . . . . . 4249 1 12 3JHNHA . 1 1 15 15 PHE H H 1 . . 1 1 15 15 PHE HA H 1 . 6.6 . . . . . . . . . . . . . . 4249 1 13 3JHNHA . 1 1 16 16 MET H H 1 . . 1 1 16 16 MET HA H 1 . 9.0 . . . . . . . . . . . . . . 4249 1 14 3JHNHA . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER HA H 1 . 5.1 . . . . . . . . . . . . . . 4249 1 15 3JHNHA . 1 1 19 19 TYR H H 1 . . 1 1 19 19 TYR HA H 1 . 2.1 . . . . . . . . . . . . . . 4249 1 16 3JHNHA . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU HA H 1 . 0.0 . . . . . . . . . . . . . . 4249 1 17 3JHNHA . 1 1 21 21 MET H H 1 . . 1 1 21 21 MET HA H 1 . 5.2 . . . . . . . . . . . . . . 4249 1 18 3JHNHA . 1 1 22 22 ASN H H 1 . . 1 1 22 22 ASN HA H 1 . 1.9 . . . . . . . . . . . . . . 4249 1 19 3JHNHA . 1 1 23 23 HIS H H 1 . . 1 1 23 23 HIS HA H 1 . 6.1 . . . . . . . . . . . . . . 4249 1 20 3JHNHA . 1 1 24 24 PHE H H 1 . . 1 1 24 24 PHE HA H 1 . 9.4 . . . . . . . . . . . . . . 4249 1 21 3JHNHA . 1 1 25 25 ASP H H 1 . . 1 1 25 25 ASP HA H 1 . 6.3 . . . . . . . . . . . . . . 4249 1 22 3JHNHA . 1 1 26 26 LEU H H 1 . . 1 1 26 26 LEU HA H 1 . 8.9 . . . . . . . . . . . . . . 4249 1 23 3JHNHA . 1 1 28 28 THR H H 1 . . 1 1 28 28 THR HA H 1 . 7.6 . . . . . . . . . . . . . . 4249 1 24 3JHNHA . 1 1 29 29 CYS H H 1 . . 1 1 29 29 CYS HA H 1 . 5.0 . . . . . . . . . . . . . . 4249 1 25 3JHNHA . 1 1 30 30 ASP H H 1 . . 1 1 30 30 ASP HA H 1 . 2.3 . . . . . . . . . . . . . . 4249 1 26 3JHNHA . 1 1 32 32 CYS H H 1 . . 1 1 32 32 CYS HA H 1 . 7.2 . . . . . . . . . . . . . . 4249 1 27 3JHNHA . 1 1 33 33 ARG H H 1 . . 1 1 33 33 ARG HA H 1 . 1.5 . . . . . . . . . . . . . . 4249 1 28 3JHNHA . 1 1 35 35 ALA H H 1 . . 1 1 35 35 ALA HA H 1 . 4.0 . . . . . . . . . . . . . . 4249 1 29 3JHNHA . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP HA H 1 . 6.3 . . . . . . . . . . . . . . 4249 1 30 3JHNHA . 1 1 37 37 ASP H H 1 . . 1 1 37 37 ASP HA H 1 . 10.1 . . . . . . . . . . . . . . 4249 1 31 3JHNHA . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS HA H 1 . 0.0 . . . . . . . . . . . . . . 4249 1 32 3JHNHA . 1 1 39 39 HIS H H 1 . . 1 1 39 39 HIS HA H 1 . 7.3 . . . . . . . . . . . . . . 4249 1 33 3JHNHA . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS HA H 1 . 1.7 . . . . . . . . . . . . . . 4249 1 34 3JHNHA . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU HA H 1 . 6.8 . . . . . . . . . . . . . . 4249 1 35 3JHNHA . 1 1 42 42 ILE H H 1 . . 1 1 42 42 ILE HA H 1 . 8.4 . . . . . . . . . . . . . . 4249 1 36 3JHNHA . 1 1 43 43 THR H H 1 . . 1 1 43 43 THR HA H 1 . 5.2 . . . . . . . . . . . . . . 4249 1 37 3JHNHA . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS HA H 1 . 0.0 . . . . . . . . . . . . . . 4249 1 38 3JHNHA . 1 1 45 45 THR H H 1 . . 1 1 45 45 THR HA H 1 . 4.8 . . . . . . . . . . . . . . 4249 1 39 3JHNHA . 1 1 46 46 GLU H H 1 . . 1 1 46 46 GLU HA H 1 . 2.7 . . . . . . . . . . . . . . 4249 1 40 3JHNHA . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA HA H 1 . 1.9 . . . . . . . . . . . . . . 4249 1 41 3JHNHA . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS HA H 1 . 2.0 . . . . . . . . . . . . . . 4249 1 42 3JHNHA . 1 1 50 50 GLU H H 1 . . 1 1 50 50 GLU HA H 1 . 3.4 . . . . . . . . . . . . . . 4249 1 43 3JHNHA . 1 1 51 51 TYR H H 1 . . 1 1 51 51 TYR HA H 1 . 7.3 . . . . . . . . . . . . . . 4249 1 44 3JHNHA . 1 1 52 52 LEU H H 1 . . 1 1 52 52 LEU HA H 1 . 4.6 . . . . . . . . . . . . . . 4249 1 45 3JHNHA . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU HA H 1 . 6.9 . . . . . . . . . . . . . . 4249 1 46 3JHNHA . 1 1 54 54 LYS H H 1 . . 1 1 54 54 LYS HA H 1 . 8.6 . . . . . . . . . . . . . . 4249 1 47 3JHNHA . 1 1 57 57 ASP H H 1 . . 1 1 57 57 ASP HA H 1 . 5.7 . . . . . . . . . . . . . . 4249 1 48 3JHNHA . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU HA H 1 . 7.9 . . . . . . . . . . . . . . 4249 1 49 3JHNHA . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU HA H 1 . 8.4 . . . . . . . . . . . . . . 4249 1 50 3JHNHA . 1 1 61 61 ARG H H 1 . . 1 1 61 61 ARG HA H 1 . 3.2 . . . . . . . . . . . . . . 4249 1 51 3JHNHA . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU HA H 1 . 3.0 . . . . . . . . . . . . . . 4249 1 52 3JHNHA . 1 1 65 65 LEU H H 1 . . 1 1 65 65 LEU HA H 1 . 6.3 . . . . . . . . . . . . . . 4249 1 53 3JHNHA . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS HA H 1 . 6.8 . . . . . . . . . . . . . . 4249 1 54 3JHNHA . 1 1 67 67 PHE H H 1 . . 1 1 67 67 PHE HA H 1 . 7.2 . . . . . . . . . . . . . . 4249 1 55 3JHNHA . 1 1 68 68 ILE H H 1 . . 1 1 68 68 ILE HA H 1 . 8.7 . . . . . . . . . . . . . . 4249 1 56 3JHNHA . 1 1 69 69 VAL H H 1 . . 1 1 69 69 VAL HA H 1 . 8.0 . . . . . . . . . . . . . . 4249 1 57 3JHNHA . 1 1 70 70 LYS H H 1 . . 1 1 70 70 LYS HA H 1 . 6.7 . . . . . . . . . . . . . . 4249 1 58 3JHNHA . 1 1 71 71 LYS H H 1 . . 1 1 71 71 LYS HA H 1 . 5.3 . . . . . . . . . . . . . . 4249 1 59 3JHNHA . 1 1 72 72 ASN H H 1 . . 1 1 72 72 ASN HA H 1 . 6.3 . . . . . . . . . . . . . . 4249 1 60 3JHNHA . 1 1 78 78 TRP H H 1 . . 1 1 78 78 TRP HA H 1 . 7.0 . . . . . . . . . . . . . . 4249 1 61 3JHNHA . 1 1 80 80 ASP H H 1 . . 1 1 80 80 ASP HA H 1 . 3.0 . . . . . . . . . . . . . . 4249 1 62 3JHNHA . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS HA H 1 . 7.4 . . . . . . . . . . . . . . 4249 1 63 3JHNHA . 1 1 84 84 TYR H H 1 . . 1 1 84 84 TYR HA H 1 . 8.3 . . . . . . . . . . . . . . 4249 1 64 3JHNHA . 1 1 85 85 LEU H H 1 . . 1 1 85 85 LEU HA H 1 . 5.4 . . . . . . . . . . . . . . 4249 1 65 3JHNHA . 1 1 87 87 LEU H H 1 . . 1 1 87 87 LEU HA H 1 . 2.6 . . . . . . . . . . . . . . 4249 1 66 3JHNHA . 1 1 88 88 GLN H H 1 . . 1 1 88 88 GLN HA H 1 . 8.0 . . . . . . . . . . . . . . 4249 1 67 3JHNHA . 1 1 89 89 ILE H H 1 . . 1 1 89 89 ILE HA H 1 . 3.4 . . . . . . . . . . . . . . 4249 1 68 3JHNHA . 1 1 90 90 VAL H H 1 . . 1 1 90 90 VAL HA H 1 . 1.8 . . . . . . . . . . . . . . 4249 1 69 3JHNHA . 1 1 91 91 LYS H H 1 . . 1 1 91 91 LYS HA H 1 . 1.8 . . . . . . . . . . . . . . 4249 1 70 3JHNHA . 1 1 93 93 SER H H 1 . . 1 1 93 93 SER HA H 1 . 1.9 . . . . . . . . . . . . . . 4249 1 71 3JHNHA . 1 1 94 94 LEU H H 1 . . 1 1 94 94 LEU HA H 1 . 2.4 . . . . . . . . . . . . . . 4249 1 72 3JHNHA . 1 1 95 95 GLU H H 1 . . 1 1 95 95 GLU HA H 1 . 4.0 . . . . . . . . . . . . . . 4249 1 73 3JHNHA . 1 1 96 96 VAL H H 1 . . 1 1 96 96 VAL HA H 1 . 5.8 . . . . . . . . . . . . . . 4249 1 74 3JHNHA . 1 1 97 97 TRP H H 1 . . 1 1 97 97 TRP HA H 1 . 5.4 . . . . . . . . . . . . . . 4249 1 75 3JHNHA . 1 1 99 99 SER H H 1 . . 1 1 99 99 SER HA H 1 . 3.2 . . . . . . . . . . . . . . 4249 1 76 3JHNHA . 1 1 100 100 GLN H H 1 . . 1 1 100 100 GLN HA H 1 . 0.0 . . . . . . . . . . . . . . 4249 1 77 3JHNHA . 1 1 101 101 GLU H H 1 . . 1 1 101 101 GLU HA H 1 . 1.9 . . . . . . . . . . . . . . 4249 1 78 3JHNHA . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA HA H 1 . 2.6 . . . . . . . . . . . . . . 4249 1 79 3JHNHA . 1 1 103 103 LEU H H 1 . . 1 1 103 103 LEU HA H 1 . 2.4 . . . . . . . . . . . . . . 4249 1 80 3JHNHA . 1 1 104 104 GLU H H 1 . . 1 1 104 104 GLU HA H 1 . 2.1 . . . . . . . . . . . . . . 4249 1 81 3JHNHA . 1 1 106 106 ALA H H 1 . . 1 1 106 106 ALA HA H 1 . 2.4 . . . . . . . . . . . . . . 4249 1 82 3JHNHA . 1 1 107 107 LYS H H 1 . . 1 1 107 107 LYS HA H 1 . 2.5 . . . . . . . . . . . . . . 4249 1 83 3JHNHA . 1 1 108 108 GLU H H 1 . . 1 1 108 108 GLU HA H 1 . 2.8 . . . . . . . . . . . . . . 4249 1 84 3JHNHA . 1 1 109 109 VAL H H 1 . . 1 1 109 109 VAL HA H 1 . 3.0 . . . . . . . . . . . . . . 4249 1 85 3JHNHA . 1 1 110 110 ARG H H 1 . . 1 1 110 110 ARG HA H 1 . 2.9 . . . . . . . . . . . . . . 4249 1 86 3JHNHA . 1 1 113 113 ASN H H 1 . . 1 1 113 113 ASN HA H 1 . 7.7 . . . . . . . . . . . . . . 4249 1 87 3JHNHA . 1 1 114 114 ARG H H 1 . . 1 1 114 114 ARG HA H 1 . 3.0 . . . . . . . . . . . . . . 4249 1 88 3JHNHA . 1 1 115 115 GLU H H 1 . . 1 1 115 115 GLU HA H 1 . 2.8 . . . . . . . . . . . . . . 4249 1 89 3JHNHA . 1 1 122 122 PHE H H 1 . . 1 1 122 122 PHE HA H 1 . 8.6 . . . . . . . . . . . . . . 4249 1 stop_ save_