data_25130 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25130 _Entry.Title ; Solution structure of LEDGF/p75 IBD in complex with MLL1 peptide (140-160) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-05 _Entry.Accession_date 2014-08-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Katerina Cermakova . . . 25130 2 Petr Tesina . . . 25130 3 Jonas Demeulemeester . . . 25130 4 Sara 'El Ashkar' . . . 25130 5 Helene Mereau . . . 25130 6 Juerg Schwaller . . . 25130 7 Pavlina Rezacova . . . 25130 8 Vaclav Veverka . . . 25130 9 Jan 'De Rijck' . . . 25130 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25130 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LEDGF/p75 . 25130 MLL . 25130 'Mixed Lineage Leukemia' . 25130 NMR . 25130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 734 25130 '13C chemical shifts' 372 25130 '15N chemical shifts' 89 25130 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 2 . . 2014-09-26 2014-08-05 update BMRB 'update entry citation' 25130 1 . . 2014-08-25 2014-08-05 update author 'original release' 25130 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MSR 'BMRB Entry Tracking System' 25130 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25130 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1158/0008-5472.CAN-13-3602 _Citation.PubMed_ID 25082813 _Citation.Full_citation . _Citation.Title 'Validation and Structural Characterization of the LEDGF/p75-MLL Interface as a New Target for the Treatment of MLL-Dependent Leukemia.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cancer Res.' _Citation.Journal_name_full 'Cancer research' _Citation.Journal_volume 74 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1538-7445 _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 5139 _Citation.Page_last 5151 _Citation.Year 2014 _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 Katerina Cermakova K. . . 25130 1 2 Petr Tesina P. . . 25130 1 3 Jonas Demeulemeester J. . . 25130 1 4 Sara 'El Ashkar' S. . . 25130 1 5 Helene Mereau H. . . 25130 1 6 Juerg Schwaller J. . . 25130 1 7 Pavlina Rezacova P. . . 25130 1 8 Vaclav Veverka V. . . 25130 1 9 Jan 'De Rijck' J. . . 25130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25130 _Assembly.ID 1 _Assembly.Name 'LEDGF/p75 IBD in complex with MLL1 peptide (140-160)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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_ _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 'MLL1 peptide (140-160)' 1 $MLL1_140-160 A . yes native no no . . . 25130 1 2 'LEDGF/p75 IBD' 2 $IBD B . yes native no no . . . 25130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MLL1_140-160 _Entity.Sf_category entity _Entity.Sf_framecode MLL1_140-160 _Entity.Entry_ID 25130 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MLL1_140-160 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSGEDEQFLGFGSDEEVRV R ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2272.364 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MSR . "Solution Structure Of Ledgf/p75 Ibd In Complex With Mll1 Peptide (140- 160)" . . . . . 100.00 21 100.00 100.00 1.15e-03 . . . . 25130 1 2 no PDB 2MTN . "Solution Structure Of Mll-ibd Complex" . . . . . 100.00 164 100.00 100.00 3.04e-04 . . . . 25130 1 3 no DBJ BAA03407 . "MLL [Homo sapiens]" . . . . . 100.00 1909 100.00 100.00 1.18e-04 . . . . 25130 1 4 no EMBL CAA93625 . "ALL-1 protein [Homo sapiens]" . . . . . 76.19 4005 100.00 100.00 4.17e-01 . . . . 25130 1 5 no GB AAA58669 . "HRX [Homo sapiens]" . . . . . 100.00 3969 100.00 100.00 1.63e-04 . . . . 25130 1 6 no GB AAA62593 . "All-1 protein, partial [Mus musculus domesticus]" . . . . . 100.00 3866 100.00 100.00 1.22e-04 . . . . 25130 1 7 no GB AAC37520 . "MLL-AF4 der(11) fusion protein [Homo sapiens]" . . . . . 76.19 2311 100.00 100.00 3.50e-01 . . . . 25130 1 8 no GB AAC95283 . "MLL [Homo sapiens]" . . . . . 100.00 479 100.00 100.00 5.02e-03 . . . . 25130 1 9 no GB AAC95284 . "MLL [Homo sapiens]" . . . . . 76.19 512 100.00 100.00 4.85e-01 . . . . 25130 1 10 no PIR A48205 . "All-1 protein +GTE form - mouse (fragment)" . . . . . 100.00 3869 100.00 100.00 1.25e-04 . . . . 25130 1 11 no PRF 1919460A . "MLL-AF4 fusion protein" . . . . . 76.19 2311 100.00 100.00 3.50e-01 . . . . 25130 1 12 no REF NP_001074518 . "histone-lysine N-methyltransferase 2A [Mus musculus]" . . . . . 100.00 3963 100.00 100.00 1.63e-04 . . . . 25130 1 13 no REF NP_001184033 . "histone-lysine N-methyltransferase 2A isoform 1 precursor [Homo sapiens]" . . . . . 100.00 3972 100.00 100.00 1.55e-04 . . . . 25130 1 14 no REF NP_005924 . "histone-lysine N-methyltransferase 2A isoform 2 precursor [Homo sapiens]" . . . . . 100.00 3969 100.00 100.00 1.52e-04 . . . . 25130 1 15 no REF XP_001093874 . "PREDICTED: histone-lysine N-methyltransferase MLL [Macaca mulatta]" . . . . . 76.19 3986 100.00 100.00 3.94e-01 . . . . 25130 1 16 no REF XP_003253537 . "PREDICTED: histone-lysine N-methyltransferase 2A [Nomascus leucogenys]" . . . . . 76.19 3968 100.00 100.00 3.43e-01 . . . . 25130 1 17 no SP P55200 . "RecName: Full=Histone-lysine N-methyltransferase 2A; Short=Lysine N-methyltransferase 2A; AltName: Full=ALL-1; AltName: Full=My" . . . . . 100.00 3966 100.00 100.00 1.63e-04 . . . . 25130 1 18 no SP Q03164 . "RecName: Full=Histone-lysine N-methyltransferase 2A; Short=Lysine N-methyltransferase 2A; AltName: Full=ALL-1; AltName: Full=CX" . . . . . 100.00 3969 100.00 100.00 1.52e-04 . . . . 25130 1 19 no TPG DAA22311 . "TPA: myeloid/lymphoid or mixed-lineage leukemia-like [Bos taurus]" . . . . . 76.19 3821 100.00 100.00 3.69e-01 . . . . 25130 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 1 140 GLY . 25130 1 2 141 GLY . 25130 1 3 142 SER . 25130 1 4 143 GLY . 25130 1 5 144 GLU . 25130 1 6 145 ASP . 25130 1 7 146 GLU . 25130 1 8 147 GLN . 25130 1 9 148 PHE . 25130 1 10 149 LEU . 25130 1 11 150 GLY . 25130 1 12 151 PHE . 25130 1 13 152 GLY . 25130 1 14 153 SER . 25130 1 15 154 ASP . 25130 1 16 155 GLU . 25130 1 17 156 GLU . 25130 1 18 157 VAL . 25130 1 19 158 ARG . 25130 1 20 159 VAL . 25130 1 21 160 ARG . 25130 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 . GLY 1 1 25130 1 . GLY 2 2 25130 1 . SER 3 3 25130 1 . GLY 4 4 25130 1 . GLU 5 5 25130 1 . ASP 6 6 25130 1 . GLU 7 7 25130 1 . GLN 8 8 25130 1 . PHE 9 9 25130 1 . LEU 10 10 25130 1 . GLY 11 11 25130 1 . PHE 12 12 25130 1 . GLY 13 13 25130 1 . SER 14 14 25130 1 . ASP 15 15 25130 1 . GLU 16 16 25130 1 . GLU 17 17 25130 1 . VAL 18 18 25130 1 . ARG 19 19 25130 1 . VAL 20 20 25130 1 . ARG 21 21 25130 1 stop_ save_ save_IBD _Entity.Sf_category entity _Entity.Sf_framecode IBD _Entity.Entry_ID 25130 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAASRETSMDSRLQRIHAE IKNSLKIDNLDVNRCIEALD ELASLQVTMQQAQKHTEMIT TLKKIRRFKVSQVIMEKSTM LYNKFKNM ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10260.019 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25171 . entity_2 . . . . . 94.32 114 100.00 100.00 7.06e-52 . . . . 25130 2 2 no PDB 1Z9E . "Solution Structure Of The Hiv-1 Integrase-Binding Domain In LedgfP75" . . . . . 92.05 127 98.77 100.00 1.06e-49 . . . . 25130 2 3 no PDB 2B4J . "Structural Basis For The Recognition Between Hiv-1 Integrase And LedgfP75" . . . . . 92.05 98 98.77 100.00 1.18e-49 . . . . 25130 2 4 no PDB 2MSR . "Solution Structure Of Ledgf/p75 Ibd In Complex With Mll1 Peptide (140- 160)" . . . . . 100.00 88 100.00 100.00 2.19e-55 . . . . 25130 2 5 no PDB 2MTN . "Solution Structure Of Mll-ibd Complex" . . . . . 94.32 164 100.00 100.00 2.33e-52 . . . . 25130 2 6 no PDB 3F9K . "Two Domain Fragment Of Hiv-2 Integrase In Complex With Ledgf Ibd" . . . . . 90.91 95 100.00 100.00 2.12e-49 . . . . 25130 2 7 no PDB 3HPG . "Visna Virus Integrase (Residues 1-219) In Complex With Ledgf Ibd: Examples Of Open Integrase Dimer-Dimer Interfaces" . . . . . 90.91 95 100.00 100.00 2.12e-49 . . . . 25130 2 8 no PDB 3HPH . "Closed Tetramer Of Visna Virus Integrase (Residues 1-219) In Complex With Ledgf Ibd" . . . . . 89.77 94 100.00 100.00 1.02e-48 . . . . 25130 2 9 no PDB 3U88 . "Crystal Structure Of Human Menin In Complex With Mll1 And Ledgf" . . . . . 90.91 89 100.00 100.00 1.80e-49 . . . . 25130 2 10 no DBJ BAJ78791 . "supercoiled DNA binding protein 75 [Rattus norvegicus]" . . . . . 94.32 528 100.00 100.00 2.38e-50 . . . . 25130 2 11 no DBJ BAK63380 . "PC4 and SFRS1-interacting protein [Pan troglodytes]" . . . . . 94.32 229 100.00 100.00 9.04e-52 . . . . 25130 2 12 no EMBL CAC34944 . "lens epithelium-derived growth factor [Mus musculus]" . . . . . 94.32 528 100.00 100.00 2.75e-50 . . . . 25130 2 13 no GB AAB52589 . "DFS70 [Homo sapiens]" . . . . . 94.32 351 98.80 100.00 5.02e-51 . . . . 25130 2 14 no GB AAC25167 . "lens epithelium-derived growth factor [Homo sapiens]" . . . . . 94.32 530 100.00 100.00 4.05e-50 . . . . 25130 2 15 no GB AAC97946 . "transcriptional coactivator p75 [Homo sapiens]" . . . . . 94.32 530 98.80 100.00 1.83e-49 . . . . 25130 2 16 no GB AAF25870 . "lens epithelium-derived growth factor p75 [Homo sapiens]" . . . . . 94.32 530 100.00 100.00 4.05e-50 . . . . 25130 2 17 no GB AAH02260 . "Psip1 protein, partial [Mus musculus]" . . . . . 94.32 208 100.00 100.00 3.87e-52 . . . . 25130 2 18 no REF NP_001009372 . "PC4 and SFRS1-interacting protein [Felis catus]" . . . . . 94.32 530 98.80 100.00 8.09e-50 . . . . 25130 2 19 no REF NP_001075982 . "PC4 and SFRS1-interacting protein [Equus caballus]" . . . . . 94.32 530 100.00 100.00 3.85e-50 . . . . 25130 2 20 no REF NP_001121689 . "PC4 and SFRS1-interacting protein isoform 2 [Homo sapiens]" . . . . . 94.32 530 100.00 100.00 4.05e-50 . . . . 25130 2 21 no REF NP_001137364 . "PC4 and SFRS1-interacting protein [Ovis aries]" . . . . . 94.32 530 100.00 100.00 4.98e-50 . . . . 25130 2 22 no REF NP_001193405 . "PC4 and SFRS1-interacting protein [Bos taurus]" . . . . . 94.32 530 100.00 100.00 3.77e-50 . . . . 25130 2 23 no SP O75475 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=CLL-associated antigen KW-7; AltName: Full=Dense fine speckles 7" . . . . . 94.32 530 100.00 100.00 4.05e-50 . . . . 25130 2 24 no SP Q66T72 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=LEDGF/p75; AltName: Full=Lens epithelium-derived growth factor; " . . . . . 94.32 530 98.80 100.00 8.09e-50 . . . . 25130 2 25 no SP Q812D1 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor [Rattus norvegicus]" . . . . . 94.32 528 100.00 100.00 2.48e-50 . . . . 25130 2 26 no SP Q8MJG1 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor [Bos taurus]" . . . . . 94.32 530 100.00 100.00 3.77e-50 . . . . 25130 2 27 no SP Q99JF8 . "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor; Short=mLEDGF [Mus musculu" . . . . . 94.32 528 100.00 100.00 2.75e-50 . . . . 25130 2 28 no TPG DAA26946 . "TPA: PC4 and SFRS1 interacting protein 1 [Bos taurus]" . . . . . 94.32 482 100.00 100.00 4.50e-50 . . . . 25130 2 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 1 339 SER . 25130 2 2 340 ASN . 25130 2 3 341 ALA . 25130 2 4 342 ALA . 25130 2 5 343 SER . 25130 2 6 344 ARG . 25130 2 7 345 GLU . 25130 2 8 346 THR . 25130 2 9 347 SER . 25130 2 10 348 MET . 25130 2 11 349 ASP . 25130 2 12 350 SER . 25130 2 13 351 ARG . 25130 2 14 352 LEU . 25130 2 15 353 GLN . 25130 2 16 354 ARG . 25130 2 17 355 ILE . 25130 2 18 356 HIS . 25130 2 19 357 ALA . 25130 2 20 358 GLU . 25130 2 21 359 ILE . 25130 2 22 360 LYS . 25130 2 23 361 ASN . 25130 2 24 362 SER . 25130 2 25 363 LEU . 25130 2 26 364 LYS . 25130 2 27 365 ILE . 25130 2 28 366 ASP . 25130 2 29 367 ASN . 25130 2 30 368 LEU . 25130 2 31 369 ASP . 25130 2 32 370 VAL . 25130 2 33 371 ASN . 25130 2 34 372 ARG . 25130 2 35 373 CYS . 25130 2 36 374 ILE . 25130 2 37 375 GLU . 25130 2 38 376 ALA . 25130 2 39 377 LEU . 25130 2 40 378 ASP . 25130 2 41 379 GLU . 25130 2 42 380 LEU . 25130 2 43 381 ALA . 25130 2 44 382 SER . 25130 2 45 383 LEU . 25130 2 46 384 GLN . 25130 2 47 385 VAL . 25130 2 48 386 THR . 25130 2 49 387 MET . 25130 2 50 388 GLN . 25130 2 51 389 GLN . 25130 2 52 390 ALA . 25130 2 53 391 GLN . 25130 2 54 392 LYS . 25130 2 55 393 HIS . 25130 2 56 394 THR . 25130 2 57 395 GLU . 25130 2 58 396 MET . 25130 2 59 397 ILE . 25130 2 60 398 THR . 25130 2 61 399 THR . 25130 2 62 400 LEU . 25130 2 63 401 LYS . 25130 2 64 402 LYS . 25130 2 65 403 ILE . 25130 2 66 404 ARG . 25130 2 67 405 ARG . 25130 2 68 406 PHE . 25130 2 69 407 LYS . 25130 2 70 408 VAL . 25130 2 71 409 SER . 25130 2 72 410 GLN . 25130 2 73 411 VAL . 25130 2 74 412 ILE . 25130 2 75 413 MET . 25130 2 76 414 GLU . 25130 2 77 415 LYS . 25130 2 78 416 SER . 25130 2 79 417 THR . 25130 2 80 418 MET . 25130 2 81 419 LEU . 25130 2 82 420 TYR . 25130 2 83 421 ASN . 25130 2 84 422 LYS . 25130 2 85 423 PHE . 25130 2 86 424 LYS . 25130 2 87 425 ASN . 25130 2 88 426 MET . 25130 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25130 2 . ASN 2 2 25130 2 . ALA 3 3 25130 2 . ALA 4 4 25130 2 . SER 5 5 25130 2 . ARG 6 6 25130 2 . GLU 7 7 25130 2 . THR 8 8 25130 2 . SER 9 9 25130 2 . MET 10 10 25130 2 . ASP 11 11 25130 2 . SER 12 12 25130 2 . ARG 13 13 25130 2 . LEU 14 14 25130 2 . GLN 15 15 25130 2 . ARG 16 16 25130 2 . ILE 17 17 25130 2 . HIS 18 18 25130 2 . ALA 19 19 25130 2 . GLU 20 20 25130 2 . ILE 21 21 25130 2 . LYS 22 22 25130 2 . ASN 23 23 25130 2 . SER 24 24 25130 2 . LEU 25 25 25130 2 . LYS 26 26 25130 2 . ILE 27 27 25130 2 . ASP 28 28 25130 2 . ASN 29 29 25130 2 . LEU 30 30 25130 2 . ASP 31 31 25130 2 . VAL 32 32 25130 2 . ASN 33 33 25130 2 . ARG 34 34 25130 2 . CYS 35 35 25130 2 . ILE 36 36 25130 2 . GLU 37 37 25130 2 . ALA 38 38 25130 2 . LEU 39 39 25130 2 . ASP 40 40 25130 2 . GLU 41 41 25130 2 . LEU 42 42 25130 2 . ALA 43 43 25130 2 . SER 44 44 25130 2 . LEU 45 45 25130 2 . GLN 46 46 25130 2 . VAL 47 47 25130 2 . THR 48 48 25130 2 . MET 49 49 25130 2 . GLN 50 50 25130 2 . GLN 51 51 25130 2 . ALA 52 52 25130 2 . GLN 53 53 25130 2 . LYS 54 54 25130 2 . HIS 55 55 25130 2 . THR 56 56 25130 2 . GLU 57 57 25130 2 . MET 58 58 25130 2 . ILE 59 59 25130 2 . THR 60 60 25130 2 . THR 61 61 25130 2 . LEU 62 62 25130 2 . LYS 63 63 25130 2 . LYS 64 64 25130 2 . ILE 65 65 25130 2 . ARG 66 66 25130 2 . ARG 67 67 25130 2 . PHE 68 68 25130 2 . LYS 69 69 25130 2 . VAL 70 70 25130 2 . SER 71 71 25130 2 . GLN 72 72 25130 2 . VAL 73 73 25130 2 . ILE 74 74 25130 2 . MET 75 75 25130 2 . GLU 76 76 25130 2 . LYS 77 77 25130 2 . SER 78 78 25130 2 . THR 79 79 25130 2 . MET 80 80 25130 2 . LEU 81 81 25130 2 . TYR 82 82 25130 2 . ASN 83 83 25130 2 . LYS 84 84 25130 2 . PHE 85 85 25130 2 . LYS 86 86 25130 2 . ASN 87 87 25130 2 . MET 88 88 25130 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 25130 _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 $MLL1_140-160 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25130 1 2 2 $IBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25130 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 25130 _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 $MLL1_140-160 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25130 1 2 2 $IBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . plasmid . . pMCSG7 . . . . . . 25130 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25130 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 MLL1_140-160 'natural abundance' . . 1 $MLL1_140-160 . . 0.5 . . mM . . . . 25130 1 2 IBD '[U-13C; U-15N]' . . 2 $IBD . . 0.5 . . mM . . . . 25130 1 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 25130 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25130 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 0.05 . . % . . . . 25130 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25130 _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 temperature 298 . K 25130 1 pH 7 . pH 25130 1 pressure 1 . atm 25130 1 'ionic strength' 125 . mM 25130 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25130 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25130 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25130 1 processing 25130 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25130 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25130 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25130 2 'data analysis' 25130 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25130 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25130 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25130 3 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25130 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 25130 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25130 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25130 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25130 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25130 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 25130 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25130 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25130 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25130 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25130 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25130 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25130 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 25130 1 2 '2D 1H-13C HSQC' . . . 25130 1 3 '3D HNCACB' . . . 25130 1 4 '3D CBCA(CO)NH' . . . 25130 1 5 '3D HNCO' . . . 25130 1 6 '3D HCCH-TOCSY' . . . 25130 1 7 '3D 1H-13C NOESY' . . . 25130 1 8 '3D 1H-15N NOESY' . . . 25130 1 9 '2D 1H-1H NOESY' . . . 25130 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 3 3 SER H H 1 8.489 0.015 . 1 . . . . 142 SER H . 25130 1 2 . 1 1 3 3 SER HA H 1 4.428 0.015 . 1 . . . . 142 SER HA . 25130 1 3 . 1 1 3 3 SER HB2 H 1 3.846 0.015 . 2 . . . . 142 SER QB . 25130 1 4 . 1 1 3 3 SER HB3 H 1 3.846 0.015 . 2 . . . . 142 SER QB . 25130 1 5 . 1 1 4 4 GLY H H 1 8.56 0.015 . 1 . . . . 143 GLY H . 25130 1 6 . 1 1 4 4 GLY HA2 H 1 3.933 0.015 . 2 . . . . 143 GLY HA2 . 25130 1 7 . 1 1 4 4 GLY HA3 H 1 3.877 0.015 . 2 . . . . 143 GLY HA3 . 25130 1 8 . 1 1 5 5 GLU H H 1 8.259 0.015 . 1 . . . . 144 GLU H . 25130 1 9 . 1 1 5 5 GLU HA H 1 4.186 0.015 . 1 . . . . 144 GLU HA . 25130 1 10 . 1 1 5 5 GLU HB2 H 1 1.981 0.015 . 2 . . . . 144 GLU HB2 . 25130 1 11 . 1 1 5 5 GLU HB3 H 1 1.824 0.015 . 2 . . . . 144 GLU HB3 . 25130 1 12 . 1 1 5 5 GLU HG2 H 1 2.157 0.015 . 2 . . . . 144 GLU QG . 25130 1 13 . 1 1 5 5 GLU HG3 H 1 2.157 0.015 . 2 . . . . 144 GLU QG . 25130 1 14 . 1 1 6 6 ASP H H 1 8.303 0.015 . 1 . . . . 145 ASP H . 25130 1 15 . 1 1 6 6 ASP HA H 1 4.511 0.015 . 1 . . . . 145 ASP HA . 25130 1 16 . 1 1 6 6 ASP HB2 H 1 2.521 0.015 . 2 . . . . 145 ASP HB2 . 25130 1 17 . 1 1 6 6 ASP HB3 H 1 2.643 0.015 . 2 . . . . 145 ASP HB3 . 25130 1 18 . 1 1 7 7 GLU H H 1 8.074 0.015 . 1 . . . . 146 GLU H . 25130 1 19 . 1 1 7 7 GLU HA H 1 4.151 0.015 . 1 . . . . 146 GLU HA . 25130 1 20 . 1 1 7 7 GLU HB2 H 1 1.872 0.015 . 2 . . . . 146 GLU QB . 25130 1 21 . 1 1 7 7 GLU HB3 H 1 1.872 0.015 . 2 . . . . 146 GLU QB . 25130 1 22 . 1 1 8 8 GLN H H 1 8.311 0.015 . 1 . . . . 147 GLN H . 25130 1 23 . 1 1 8 8 GLN HA H 1 4.386 0.015 . 1 . . . . 147 GLN HA . 25130 1 24 . 1 1 8 8 GLN HB2 H 1 1.915 0.015 . 2 . . . . 147 GLN QB . 25130 1 25 . 1 1 8 8 GLN HB3 H 1 1.915 0.015 . 2 . . . . 147 GLN QB . 25130 1 26 . 1 1 8 8 GLN HG2 H 1 2.16 0.015 . 2 . . . . 147 GLN QG . 25130 1 27 . 1 1 8 8 GLN HG3 H 1 2.16 0.015 . 2 . . . . 147 GLN QG . 25130 1 28 . 1 1 8 8 GLN HE21 H 1 7.554 0.015 . 2 . . . . 147 GLN HE21 . 25130 1 29 . 1 1 8 8 GLN HE22 H 1 6.771 0.015 . 2 . . . . 147 GLN HE22 . 25130 1 30 . 1 1 9 9 PHE H H 1 8.111 0.015 . 1 . . . . 148 PHE H . 25130 1 31 . 1 1 9 9 PHE HA H 1 4.656 0.015 . 1 . . . . 148 PHE HA . 25130 1 32 . 1 1 9 9 PHE HB2 H 1 2.99 0.015 . 2 . . . . 148 PHE HB2 . 25130 1 33 . 1 1 9 9 PHE HB3 H 1 2.644 0.015 . 2 . . . . 148 PHE HB3 . 25130 1 34 . 1 1 9 9 PHE HD1 H 1 7.066 0.015 . 3 . . . . 148 PHE QR . 25130 1 35 . 1 1 9 9 PHE HD2 H 1 7.066 0.015 . 3 . . . . 148 PHE QR . 25130 1 36 . 1 1 9 9 PHE HE1 H 1 7.066 0.015 . 3 . . . . 148 PHE QR . 25130 1 37 . 1 1 9 9 PHE HE2 H 1 7.066 0.015 . 3 . . . . 148 PHE QR . 25130 1 38 . 1 1 9 9 PHE HZ H 1 7.066 0.015 . 1 . . . . 148 PHE QR . 25130 1 39 . 1 1 10 10 LEU H H 1 8.294 0.015 . 1 . . . . 149 LEU H . 25130 1 40 . 1 1 10 10 LEU HA H 1 4.229 0.015 . 1 . . . . 149 LEU HA . 25130 1 41 . 1 1 10 10 LEU HB2 H 1 1.419 0.015 . 2 . . . . 149 LEU QB . 25130 1 42 . 1 1 10 10 LEU HB3 H 1 1.419 0.015 . 2 . . . . 149 LEU QB . 25130 1 43 . 1 1 10 10 LEU HG H 1 1.375 0.015 . 1 . . . . 149 LEU HG . 25130 1 44 . 1 1 10 10 LEU HD11 H 1 0.664 0.015 . 2 . . . . 149 LEU QD1 . 25130 1 45 . 1 1 10 10 LEU HD12 H 1 0.664 0.015 . 2 . . . . 149 LEU QD1 . 25130 1 46 . 1 1 10 10 LEU HD13 H 1 0.664 0.015 . 2 . . . . 149 LEU QD1 . 25130 1 47 . 1 1 10 10 LEU HD21 H 1 0.771 0.015 . 2 . . . . 149 LEU QD2 . 25130 1 48 . 1 1 10 10 LEU HD22 H 1 0.771 0.015 . 2 . . . . 149 LEU QD2 . 25130 1 49 . 1 1 10 10 LEU HD23 H 1 0.771 0.015 . 2 . . . . 149 LEU QD2 . 25130 1 50 . 1 1 12 12 PHE HA H 1 4.587 0.015 . 1 . . . . 151 PHE HA . 25130 1 51 . 1 1 12 12 PHE HB2 H 1 3.218 0.015 . 2 . . . . 151 PHE HB2 . 25130 1 52 . 1 1 12 12 PHE HB3 H 1 2.758 0.015 . 2 . . . . 151 PHE HB3 . 25130 1 53 . 1 1 12 12 PHE HD1 H 1 7.374 0.015 . 3 . . . . 151 PHE QD . 25130 1 54 . 1 1 12 12 PHE HD2 H 1 7.374 0.015 . 3 . . . . 151 PHE QD . 25130 1 55 . 1 1 12 12 PHE HE1 H 1 7.228 0.015 . 3 . . . . 151 PHE QE . 25130 1 56 . 1 1 12 12 PHE HE2 H 1 7.228 0.015 . 3 . . . . 151 PHE QE . 25130 1 57 . 1 1 12 12 PHE HZ H 1 7.126 0.015 . 1 . . . . 151 PHE HZ . 25130 1 58 . 1 1 13 13 GLY H H 1 8.809 0.015 . 1 . . . . 152 GLY H . 25130 1 59 . 1 1 13 13 GLY HA2 H 1 4.121 0.015 . 2 . . . . 152 GLY HA2 . 25130 1 60 . 1 1 13 13 GLY HA3 H 1 3.909 0.015 . 2 . . . . 152 GLY HA3 . 25130 1 61 . 1 1 14 14 SER H H 1 8.365 0.015 . 1 . . . . 153 SER H . 25130 1 62 . 1 1 14 14 SER HA H 1 4.358 0.015 . 1 . . . . 153 SER HA . 25130 1 63 . 1 1 14 14 SER HB2 H 1 3.842 0.015 . 2 . . . . 153 SER HB2 . 25130 1 64 . 1 1 14 14 SER HB3 H 1 3.796 0.015 . 2 . . . . 153 SER HB3 . 25130 1 65 . 1 1 15 15 ASP H H 1 8.516 0.015 . 1 . . . . 154 ASP H . 25130 1 66 . 1 1 15 15 ASP HA H 1 4.531 0.015 . 1 . . . . 154 ASP HA . 25130 1 67 . 1 1 15 15 ASP HB2 H 1 2.631 0.015 . 2 . . . . 154 ASP HB2 . 25130 1 68 . 1 1 15 15 ASP HB3 H 1 2.571 0.015 . 2 . . . . 154 ASP HB3 . 25130 1 69 . 1 1 16 16 GLU H H 1 8.13 0.015 . 1 . . . . 155 GLU H . 25130 1 70 . 1 1 16 16 GLU HA H 1 4.14 0.015 . 1 . . . . 155 GLU HA . 25130 1 71 . 1 1 16 16 GLU HB2 H 1 1.869 0.015 . 2 . . . . 155 GLU QB . 25130 1 72 . 1 1 16 16 GLU HB3 H 1 1.869 0.015 . 2 . . . . 155 GLU QB . 25130 1 73 . 1 1 17 17 GLU H H 1 8.177 0.015 . 1 . . . . 156 GLU H . 25130 1 74 . 1 1 17 17 GLU HA H 1 4.154 0.015 . 1 . . . . 156 GLU HA . 25130 1 75 . 1 1 17 17 GLU HB2 H 1 1.878 0.015 . 2 . . . . 156 GLU QB . 25130 1 76 . 1 1 17 17 GLU HB3 H 1 1.878 0.015 . 2 . . . . 156 GLU QB . 25130 1 77 . 1 1 18 18 VAL H H 1 8.106 0.015 . 1 . . . . 157 VAL H . 25130 1 78 . 1 1 18 18 VAL HA H 1 3.957 0.015 . 1 . . . . 157 VAL HA . 25130 1 79 . 1 1 18 18 VAL HB H 1 1.96 0.015 . 1 . . . . 157 VAL HB . 25130 1 80 . 1 1 18 18 VAL HG11 H 1 0.827 0.015 . 2 . . . . 157 VAL QG1 . 25130 1 81 . 1 1 18 18 VAL HG12 H 1 0.827 0.015 . 2 . . . . 157 VAL QG1 . 25130 1 82 . 1 1 18 18 VAL HG13 H 1 0.827 0.015 . 2 . . . . 157 VAL QG1 . 25130 1 83 . 1 1 18 18 VAL HG21 H 1 0.809 0.015 . 2 . . . . 157 VAL QG2 . 25130 1 84 . 1 1 18 18 VAL HG22 H 1 0.809 0.015 . 2 . . . . 157 VAL QG2 . 25130 1 85 . 1 1 18 18 VAL HG23 H 1 0.809 0.015 . 2 . . . . 157 VAL QG2 . 25130 1 86 . 1 1 19 19 ARG H H 1 8.251 0.015 . 1 . . . . 158 ARG H . 25130 1 87 . 1 1 19 19 ARG HA H 1 4.329 0.015 . 1 . . . . 158 ARG HA . 25130 1 88 . 1 1 19 19 ARG HB2 H 1 1.729 0.015 . 2 . . . . 158 ARG HB2 . 25130 1 89 . 1 1 19 19 ARG HB3 H 1 1.672 0.015 . 2 . . . . 158 ARG HB3 . 25130 1 90 . 1 1 19 19 ARG HG2 H 1 1.529 0.015 . 2 . . . . 158 ARG HG2 . 25130 1 91 . 1 1 19 19 ARG HG3 H 1 1.501 0.015 . 2 . . . . 158 ARG HG3 . 25130 1 92 . 1 1 20 20 VAL H H 1 8.171 0.015 . 1 . . . . 159 VAL H . 25130 1 93 . 1 1 20 20 VAL HA H 1 4.027 0.015 . 1 . . . . 159 VAL HA . 25130 1 94 . 1 1 20 20 VAL HB H 1 1.997 0.015 . 1 . . . . 159 VAL HB . 25130 1 95 . 1 1 20 20 VAL HG11 H 1 0.849 0.015 . 2 . . . . 159 VAL QQG . 25130 1 96 . 1 1 20 20 VAL HG12 H 1 0.849 0.015 . 2 . . . . 159 VAL QQG . 25130 1 97 . 1 1 20 20 VAL HG13 H 1 0.849 0.015 . 2 . . . . 159 VAL QQG . 25130 1 98 . 1 1 20 20 VAL HG21 H 1 0.849 0.015 . 2 . . . . 159 VAL QQG . 25130 1 99 . 1 1 20 20 VAL HG22 H 1 0.849 0.015 . 2 . . . . 159 VAL QQG . 25130 1 100 . 1 1 20 20 VAL HG23 H 1 0.849 0.015 . 2 . . . . 159 VAL QQG . 25130 1 101 . 1 1 21 21 ARG H H 1 7.872 0.015 . 1 . . . . 160 ARG H . 25130 1 102 . 1 1 21 21 ARG HA H 1 4.095 0.015 . 1 . . . . 160 ARG HA . 25130 1 103 . 1 1 21 21 ARG HB2 H 1 1.63 0.015 . 2 . . . . 160 ARG HB2 . 25130 1 104 . 1 1 21 21 ARG HB3 H 1 1.744 0.015 . 2 . . . . 160 ARG HB3 . 25130 1 105 . 1 1 21 21 ARG HG2 H 1 1.492 0.015 . 2 . . . . 160 ARG QG . 25130 1 106 . 1 1 21 21 ARG HG3 H 1 1.492 0.015 . 2 . . . . 160 ARG QG . 25130 1 107 . 1 1 21 21 ARG HD2 H 1 3.095 0.015 . 2 . . . . 160 ARG QD . 25130 1 108 . 1 1 21 21 ARG HD3 H 1 3.095 0.015 . 2 . . . . 160 ARG QD . 25130 1 109 . 2 2 2 2 ASN C C 13 174.83 0.15 . 1 . . . B 340 ASN C . 25130 1 110 . 2 2 2 2 ASN CA C 13 53.058 0.15 . 1 . . . B 340 ASN CA . 25130 1 111 . 2 2 2 2 ASN CB C 13 38.928 0.15 . 1 . . . B 340 ASN CB . 25130 1 112 . 2 2 3 3 ALA H H 1 8.358 0.015 . 1 . . . B 341 ALA H . 25130 1 113 . 2 2 3 3 ALA C C 13 177.667 0.15 . 1 . . . B 341 ALA C . 25130 1 114 . 2 2 3 3 ALA CA C 13 52.88 0.15 . 1 . . . B 341 ALA CA . 25130 1 115 . 2 2 3 3 ALA CB C 13 19.037 0.15 . 1 . . . B 341 ALA CB . 25130 1 116 . 2 2 3 3 ALA N N 15 124.877 0.15 . 1 . . . B 341 ALA N . 25130 1 117 . 2 2 4 4 ALA H H 1 8.247 0.015 . 1 . . . B 342 ALA H . 25130 1 118 . 2 2 4 4 ALA HA H 1 4.225 0.015 . 1 . . . B 342 ALA HA . 25130 1 119 . 2 2 4 4 ALA HB1 H 1 1.325 0.015 . 1 . . . B 342 ALA HB1 . 25130 1 120 . 2 2 4 4 ALA HB2 H 1 1.325 0.015 . 1 . . . B 342 ALA HB2 . 25130 1 121 . 2 2 4 4 ALA HB3 H 1 1.325 0.015 . 1 . . . B 342 ALA HB3 . 25130 1 122 . 2 2 4 4 ALA C C 13 178.09 0.15 . 1 . . . B 342 ALA C . 25130 1 123 . 2 2 4 4 ALA CA C 13 52.771 0.15 . 1 . . . B 342 ALA CA . 25130 1 124 . 2 2 4 4 ALA CB C 13 18.881 0.15 . 1 . . . B 342 ALA CB . 25130 1 125 . 2 2 4 4 ALA N N 15 123.061 0.15 . 1 . . . B 342 ALA N . 25130 1 126 . 2 2 5 5 SER H H 1 8.143 0.015 . 1 . . . B 343 SER H . 25130 1 127 . 2 2 5 5 SER HA H 1 4.329 0.015 . 1 . . . B 343 SER HA . 25130 1 128 . 2 2 5 5 SER HB2 H 1 3.86 0.015 . 2 . . . B 343 SER HB2 . 25130 1 129 . 2 2 5 5 SER HB3 H 1 3.806 0.015 . 2 . . . B 343 SER HB3 . 25130 1 130 . 2 2 5 5 SER C C 13 174.964 0.15 . 1 . . . B 343 SER C . 25130 1 131 . 2 2 5 5 SER CA C 13 58.607 0.15 . 1 . . . B 343 SER CA . 25130 1 132 . 2 2 5 5 SER CB C 13 63.571 0.15 . 1 . . . B 343 SER CB . 25130 1 133 . 2 2 5 5 SER N N 15 114.705 0.15 . 1 . . . B 343 SER N . 25130 1 134 . 2 2 6 6 ARG H H 1 8.363 0.015 . 1 . . . B 344 ARG H . 25130 1 135 . 2 2 6 6 ARG HA H 1 4.282 0.015 . 1 . . . B 344 ARG HA . 25130 1 136 . 2 2 6 6 ARG HB2 H 1 2.208 0.015 . 2 . . . B 344 ARG HB2 . 25130 1 137 . 2 2 6 6 ARG HB3 H 1 1.943 0.015 . 2 . . . B 344 ARG HB3 . 25130 1 138 . 2 2 6 6 ARG HD2 H 1 3.151 0.015 . 2 . . . B 344 ARG HD2 . 25130 1 139 . 2 2 6 6 ARG HD3 H 1 3.151 0.015 . 2 . . . B 344 ARG HD3 . 25130 1 140 . 2 2 6 6 ARG CA C 13 57.163 0.15 . 1 . . . B 344 ARG CA . 25130 1 141 . 2 2 6 6 ARG CB C 13 30.057 0.15 . 1 . . . B 344 ARG CB . 25130 1 142 . 2 2 6 6 ARG CD C 13 43.163 0.15 . 1 . . . B 344 ARG CD . 25130 1 143 . 2 2 6 6 ARG N N 15 123.056 0.15 . 1 . . . B 344 ARG N . 25130 1 144 . 2 2 7 7 GLU HA H 1 4.29 0.015 . 1 . . . B 345 GLU HA . 25130 1 145 . 2 2 7 7 GLU HB2 H 1 2.034 0.015 . 2 . . . B 345 GLU HB2 . 25130 1 146 . 2 2 7 7 GLU HB3 H 1 1.944 0.015 . 2 . . . B 345 GLU HB3 . 25130 1 147 . 2 2 7 7 GLU HG2 H 1 2.207 0.015 . 2 . . . B 345 GLU HG2 . 25130 1 148 . 2 2 7 7 GLU HG3 H 1 2.207 0.015 . 2 . . . B 345 GLU HG3 . 25130 1 149 . 2 2 7 7 GLU C C 13 177.125 0.15 . 1 . . . B 345 GLU C . 25130 1 150 . 2 2 7 7 GLU CA C 13 57.209 0.15 . 1 . . . B 345 GLU CA . 25130 1 151 . 2 2 7 7 GLU CB C 13 30.023 0.15 . 1 . . . B 345 GLU CB . 25130 1 152 . 2 2 7 7 GLU CG C 13 36.181 0.15 . 1 . . . B 345 GLU CG . 25130 1 153 . 2 2 8 8 THR H H 1 8.23 0.015 . 1 . . . B 346 THR H . 25130 1 154 . 2 2 8 8 THR HA H 1 4.293 0.015 . 1 . . . B 346 THR HA . 25130 1 155 . 2 2 8 8 THR HB H 1 4.247 0.015 . 1 . . . B 346 THR HB . 25130 1 156 . 2 2 8 8 THR HG21 H 1 1.187 0.015 . 1 . . . B 346 THR HG21 . 25130 1 157 . 2 2 8 8 THR HG22 H 1 1.187 0.015 . 1 . . . B 346 THR HG22 . 25130 1 158 . 2 2 8 8 THR HG23 H 1 1.187 0.015 . 1 . . . B 346 THR HG23 . 25130 1 159 . 2 2 8 8 THR CA C 13 62.532 0.15 . 1 . . . B 346 THR CA . 25130 1 160 . 2 2 8 8 THR CB C 13 69.661 0.15 . 1 . . . B 346 THR CB . 25130 1 161 . 2 2 8 8 THR CG2 C 13 21.562 0.15 . 1 . . . B 346 THR CG2 . 25130 1 162 . 2 2 8 8 THR N N 15 114.298 0.15 . 1 . . . B 346 THR N . 25130 1 163 . 2 2 9 9 SER HA H 1 4.379 0.015 . 1 . . . B 347 SER HA . 25130 1 164 . 2 2 9 9 SER HB2 H 1 4.081 0.015 . 2 . . . B 347 SER HB2 . 25130 1 165 . 2 2 9 9 SER HB3 H 1 3.951 0.015 . 2 . . . B 347 SER HB3 . 25130 1 166 . 2 2 9 9 SER C C 13 175.934 0.15 . 1 . . . B 347 SER C . 25130 1 167 . 2 2 9 9 SER CA C 13 58.918 0.15 . 1 . . . B 347 SER CA . 25130 1 168 . 2 2 9 9 SER CB C 13 63.764 0.15 . 1 . . . B 347 SER CB . 25130 1 169 . 2 2 10 10 MET H H 1 8.598 0.015 . 1 . . . B 348 MET H . 25130 1 170 . 2 2 10 10 MET HA H 1 4.351 0.015 . 1 . . . B 348 MET HA . 25130 1 171 . 2 2 10 10 MET HB2 H 1 2.137 0.015 . 2 . . . B 348 MET HB2 . 25130 1 172 . 2 2 10 10 MET HB3 H 1 1.939 0.015 . 2 . . . B 348 MET HB3 . 25130 1 173 . 2 2 10 10 MET HG2 H 1 2.373 0.015 . 2 . . . B 348 MET HG2 . 25130 1 174 . 2 2 10 10 MET HG3 H 1 2.53 0.015 . 2 . . . B 348 MET HG3 . 25130 1 175 . 2 2 10 10 MET HE1 H 1 2.008 0.015 . 1 . . . B 348 MET HE1 . 25130 1 176 . 2 2 10 10 MET HE2 H 1 2.008 0.015 . 1 . . . B 348 MET HE2 . 25130 1 177 . 2 2 10 10 MET HE3 H 1 2.008 0.015 . 1 . . . B 348 MET HE3 . 25130 1 178 . 2 2 10 10 MET C C 13 177.759 0.15 . 1 . . . B 348 MET C . 25130 1 179 . 2 2 10 10 MET CA C 13 57.174 0.15 . 1 . . . B 348 MET CA . 25130 1 180 . 2 2 10 10 MET CB C 13 31.026 0.15 . 1 . . . B 348 MET CB . 25130 1 181 . 2 2 10 10 MET CG C 13 32.035 0.15 . 1 . . . B 348 MET CG . 25130 1 182 . 2 2 10 10 MET CE C 13 16.907 0.15 . 1 . . . B 348 MET CE . 25130 1 183 . 2 2 10 10 MET N N 15 123.354 0.15 . 1 . . . B 348 MET N . 25130 1 184 . 2 2 11 11 ASP H H 1 8.268 0.015 . 1 . . . B 349 ASP H . 25130 1 185 . 2 2 11 11 ASP HA H 1 4.349 0.015 . 1 . . . B 349 ASP HA . 25130 1 186 . 2 2 11 11 ASP HB2 H 1 2.727 0.015 . 2 . . . B 349 ASP HB2 . 25130 1 187 . 2 2 11 11 ASP HB3 H 1 2.727 0.015 . 2 . . . B 349 ASP HB3 . 25130 1 188 . 2 2 11 11 ASP C C 13 178.137 0.15 . 1 . . . B 349 ASP C . 25130 1 189 . 2 2 11 11 ASP CA C 13 58.27 0.15 . 1 . . . B 349 ASP CA . 25130 1 190 . 2 2 11 11 ASP CB C 13 40.699 0.15 . 1 . . . B 349 ASP CB . 25130 1 191 . 2 2 11 11 ASP N N 15 118.703 0.15 . 1 . . . B 349 ASP N . 25130 1 192 . 2 2 12 12 SER H H 1 7.898 0.015 . 1 . . . B 350 SER H . 25130 1 193 . 2 2 12 12 SER HA H 1 4.171 0.015 . 1 . . . B 350 SER HA . 25130 1 194 . 2 2 12 12 SER HB2 H 1 3.904 0.015 . 2 . . . B 350 SER HB2 . 25130 1 195 . 2 2 12 12 SER HB3 H 1 3.904 0.015 . 2 . . . B 350 SER HB3 . 25130 1 196 . 2 2 12 12 SER C C 13 177.139 0.15 . 1 . . . B 350 SER C . 25130 1 197 . 2 2 12 12 SER CA C 13 61.722 0.15 . 1 . . . B 350 SER CA . 25130 1 198 . 2 2 12 12 SER CB C 13 62.513 0.15 . 1 . . . B 350 SER CB . 25130 1 199 . 2 2 12 12 SER N N 15 114.82 0.15 . 1 . . . B 350 SER N . 25130 1 200 . 2 2 13 13 ARG H H 1 7.945 0.015 . 1 . . . B 351 ARG H . 25130 1 201 . 2 2 13 13 ARG HA H 1 3.972 0.015 . 1 . . . B 351 ARG HA . 25130 1 202 . 2 2 13 13 ARG HB2 H 1 1.884 0.015 . 2 . . . B 351 ARG HB2 . 25130 1 203 . 2 2 13 13 ARG HB3 H 1 1.884 0.015 . 2 . . . B 351 ARG HB3 . 25130 1 204 . 2 2 13 13 ARG HG2 H 1 1.708 0.015 . 2 . . . B 351 ARG HG2 . 25130 1 205 . 2 2 13 13 ARG HG3 H 1 1.518 0.015 . 2 . . . B 351 ARG HG3 . 25130 1 206 . 2 2 13 13 ARG HD2 H 1 3.086 0.015 . 2 . . . B 351 ARG HD2 . 25130 1 207 . 2 2 13 13 ARG HD3 H 1 3.086 0.015 . 2 . . . B 351 ARG HD3 . 25130 1 208 . 2 2 13 13 ARG C C 13 178.346 0.15 . 1 . . . B 351 ARG C . 25130 1 209 . 2 2 13 13 ARG CA C 13 59.475 0.15 . 1 . . . B 351 ARG CA . 25130 1 210 . 2 2 13 13 ARG CB C 13 30.159 0.15 . 1 . . . B 351 ARG CB . 25130 1 211 . 2 2 13 13 ARG CG C 13 27.018 0.15 . 1 . . . B 351 ARG CG . 25130 1 212 . 2 2 13 13 ARG CD C 13 43.529 0.15 . 1 . . . B 351 ARG CD . 25130 1 213 . 2 2 13 13 ARG N N 15 123.789 0.15 . 1 . . . B 351 ARG N . 25130 1 214 . 2 2 14 14 LEU H H 1 8.328 0.015 . 1 . . . B 352 LEU H . 25130 1 215 . 2 2 14 14 LEU HA H 1 3.724 0.015 . 1 . . . B 352 LEU HA . 25130 1 216 . 2 2 14 14 LEU HB2 H 1 1.259 0.015 . 2 . . . B 352 LEU HB2 . 25130 1 217 . 2 2 14 14 LEU HB3 H 1 0.652 0.015 . 2 . . . B 352 LEU HB3 . 25130 1 218 . 2 2 14 14 LEU HG H 1 1.496 0.015 . 1 . . . B 352 LEU HG . 25130 1 219 . 2 2 14 14 LEU HD11 H 1 0.247 0.015 . 2 . . . B 352 LEU HD11 . 25130 1 220 . 2 2 14 14 LEU HD12 H 1 0.247 0.015 . 2 . . . B 352 LEU HD12 . 25130 1 221 . 2 2 14 14 LEU HD13 H 1 0.247 0.015 . 2 . . . B 352 LEU HD13 . 25130 1 222 . 2 2 14 14 LEU HD21 H 1 0.415 0.015 . 2 . . . B 352 LEU HD21 . 25130 1 223 . 2 2 14 14 LEU HD22 H 1 0.415 0.015 . 2 . . . B 352 LEU HD22 . 25130 1 224 . 2 2 14 14 LEU HD23 H 1 0.415 0.015 . 2 . . . B 352 LEU HD23 . 25130 1 225 . 2 2 14 14 LEU C C 13 179.314 0.15 . 1 . . . B 352 LEU C . 25130 1 226 . 2 2 14 14 LEU CA C 13 58.004 0.15 . 1 . . . B 352 LEU CA . 25130 1 227 . 2 2 14 14 LEU CB C 13 40.467 0.15 . 1 . . . B 352 LEU CB . 25130 1 228 . 2 2 14 14 LEU CG C 13 26.258 0.15 . 1 . . . B 352 LEU CG . 25130 1 229 . 2 2 14 14 LEU CD1 C 13 25.008 0.15 . 1 . . . B 352 LEU CD1 . 25130 1 230 . 2 2 14 14 LEU CD2 C 13 23.238 0.15 . 1 . . . B 352 LEU CD2 . 25130 1 231 . 2 2 14 14 LEU N N 15 118.526 0.15 . 1 . . . B 352 LEU N . 25130 1 232 . 2 2 15 15 GLN H H 1 8.061 0.015 . 1 . . . B 353 GLN H . 25130 1 233 . 2 2 15 15 GLN HA H 1 4.176 0.015 . 1 . . . B 353 GLN HA . 25130 1 234 . 2 2 15 15 GLN HB2 H 1 2.224 0.015 . 2 . . . B 353 GLN HB2 . 25130 1 235 . 2 2 15 15 GLN HB3 H 1 2.115 0.015 . 2 . . . B 353 GLN HB3 . 25130 1 236 . 2 2 15 15 GLN HG2 H 1 2.635 0.015 . 2 . . . B 353 GLN HG2 . 25130 1 237 . 2 2 15 15 GLN HG3 H 1 2.496 0.015 . 2 . . . B 353 GLN HG3 . 25130 1 238 . 2 2 15 15 GLN C C 13 179.021 0.15 . 1 . . . B 353 GLN C . 25130 1 239 . 2 2 15 15 GLN CA C 13 59.27 0.15 . 1 . . . B 353 GLN CA . 25130 1 240 . 2 2 15 15 GLN CB C 13 28.234 0.15 . 1 . . . B 353 GLN CB . 25130 1 241 . 2 2 15 15 GLN CG C 13 34.086 0.15 . 1 . . . B 353 GLN CG . 25130 1 242 . 2 2 15 15 GLN N N 15 118.994 0.15 . 1 . . . B 353 GLN N . 25130 1 243 . 2 2 16 16 ARG H H 1 7.869 0.015 . 1 . . . B 354 ARG H . 25130 1 244 . 2 2 16 16 ARG HA H 1 4.062 0.015 . 1 . . . B 354 ARG HA . 25130 1 245 . 2 2 16 16 ARG HB2 H 1 1.973 0.015 . 2 . . . B 354 ARG HB2 . 25130 1 246 . 2 2 16 16 ARG HB3 H 1 1.867 0.015 . 2 . . . B 354 ARG HB3 . 25130 1 247 . 2 2 16 16 ARG HG2 H 1 1.664 0.015 . 2 . . . B 354 ARG HG2 . 25130 1 248 . 2 2 16 16 ARG HG3 H 1 1.561 0.015 . 2 . . . B 354 ARG HG3 . 25130 1 249 . 2 2 16 16 ARG HD2 H 1 3.17 0.015 . 2 . . . B 354 ARG HD2 . 25130 1 250 . 2 2 16 16 ARG HD3 H 1 3.17 0.015 . 2 . . . B 354 ARG HD3 . 25130 1 251 . 2 2 16 16 ARG C C 13 178.655 0.15 . 1 . . . B 354 ARG C . 25130 1 252 . 2 2 16 16 ARG CA C 13 59.507 0.15 . 1 . . . B 354 ARG CA . 25130 1 253 . 2 2 16 16 ARG CB C 13 28.928 0.15 . 1 . . . B 354 ARG CB . 25130 1 254 . 2 2 16 16 ARG CG C 13 27.042 0.15 . 1 . . . B 354 ARG CG . 25130 1 255 . 2 2 16 16 ARG CD C 13 42.693 0.15 . 1 . . . B 354 ARG CD . 25130 1 256 . 2 2 16 16 ARG N N 15 122.01 0.15 . 1 . . . B 354 ARG N . 25130 1 257 . 2 2 17 17 ILE H H 1 8.316 0.015 . 1 . . . B 355 ILE H . 25130 1 258 . 2 2 17 17 ILE HA H 1 3.545 0.015 . 1 . . . B 355 ILE HA . 25130 1 259 . 2 2 17 17 ILE HB H 1 1.701 0.015 . 1 . . . B 355 ILE HB . 25130 1 260 . 2 2 17 17 ILE HG12 H 1 1.773 0.015 . 2 . . . B 355 ILE HG12 . 25130 1 261 . 2 2 17 17 ILE HG13 H 1 0.951 0.015 . 2 . . . B 355 ILE HG13 . 25130 1 262 . 2 2 17 17 ILE HG21 H 1 0.864 0.015 . 1 . . . B 355 ILE HG21 . 25130 1 263 . 2 2 17 17 ILE HG22 H 1 0.864 0.015 . 1 . . . B 355 ILE HG22 . 25130 1 264 . 2 2 17 17 ILE HG23 H 1 0.864 0.015 . 1 . . . B 355 ILE HG23 . 25130 1 265 . 2 2 17 17 ILE HD11 H 1 0.647 0.015 . 1 . . . B 355 ILE HD11 . 25130 1 266 . 2 2 17 17 ILE HD12 H 1 0.647 0.015 . 1 . . . B 355 ILE HD12 . 25130 1 267 . 2 2 17 17 ILE HD13 H 1 0.647 0.015 . 1 . . . B 355 ILE HD13 . 25130 1 268 . 2 2 17 17 ILE C C 13 177.552 0.15 . 1 . . . B 355 ILE C . 25130 1 269 . 2 2 17 17 ILE CA C 13 65.471 0.15 . 1 . . . B 355 ILE CA . 25130 1 270 . 2 2 17 17 ILE CB C 13 38.51 0.15 . 1 . . . B 355 ILE CB . 25130 1 271 . 2 2 17 17 ILE CG1 C 13 29.955 0.15 . 1 . . . B 355 ILE CG1 . 25130 1 272 . 2 2 17 17 ILE CG2 C 13 18.236 0.15 . 1 . . . B 355 ILE CG2 . 25130 1 273 . 2 2 17 17 ILE CD1 C 13 15.123 0.15 . 1 . . . B 355 ILE CD1 . 25130 1 274 . 2 2 17 17 ILE N N 15 120.896 0.15 . 1 . . . B 355 ILE N . 25130 1 275 . 2 2 18 18 HIS H H 1 8.386 0.015 . 1 . . . B 356 HIS H . 25130 1 276 . 2 2 18 18 HIS HA H 1 4.169 0.015 . 1 . . . B 356 HIS HA . 25130 1 277 . 2 2 18 18 HIS HB2 H 1 3.305 0.015 . 2 . . . B 356 HIS HB2 . 25130 1 278 . 2 2 18 18 HIS HB3 H 1 3.087 0.015 . 2 . . . B 356 HIS HB3 . 25130 1 279 . 2 2 18 18 HIS C C 13 176.359 0.15 . 1 . . . B 356 HIS C . 25130 1 280 . 2 2 18 18 HIS CA C 13 58.056 0.15 . 1 . . . B 356 HIS CA . 25130 1 281 . 2 2 18 18 HIS CB C 13 29.496 0.15 . 1 . . . B 356 HIS CB . 25130 1 282 . 2 2 18 18 HIS N N 15 118.065 0.15 . 1 . . . B 356 HIS N . 25130 1 283 . 2 2 19 19 ALA H H 1 7.793 0.015 . 1 . . . B 357 ALA H . 25130 1 284 . 2 2 19 19 ALA HA H 1 3.668 0.015 . 1 . . . B 357 ALA HA . 25130 1 285 . 2 2 19 19 ALA HB1 H 1 1.379 0.015 . 1 . . . B 357 ALA HB1 . 25130 1 286 . 2 2 19 19 ALA HB2 H 1 1.379 0.015 . 1 . . . B 357 ALA HB2 . 25130 1 287 . 2 2 19 19 ALA HB3 H 1 1.379 0.015 . 1 . . . B 357 ALA HB3 . 25130 1 288 . 2 2 19 19 ALA C C 13 179.619 0.15 . 1 . . . B 357 ALA C . 25130 1 289 . 2 2 19 19 ALA CA C 13 55.143 0.15 . 1 . . . B 357 ALA CA . 25130 1 290 . 2 2 19 19 ALA CB C 13 17.578 0.15 . 1 . . . B 357 ALA CB . 25130 1 291 . 2 2 19 19 ALA N N 15 119.526 0.15 . 1 . . . B 357 ALA N . 25130 1 292 . 2 2 20 20 GLU H H 1 8.261 0.015 . 1 . . . B 358 GLU H . 25130 1 293 . 2 2 20 20 GLU HA H 1 3.913 0.015 . 1 . . . B 358 GLU HA . 25130 1 294 . 2 2 20 20 GLU HB2 H 1 2.298 0.015 . 2 . . . B 358 GLU HB2 . 25130 1 295 . 2 2 20 20 GLU HB3 H 1 1.899 0.015 . 2 . . . B 358 GLU HB3 . 25130 1 296 . 2 2 20 20 GLU HG2 H 1 2.266 0.015 . 2 . . . B 358 GLU HG2 . 25130 1 297 . 2 2 20 20 GLU HG3 H 1 1.98 0.015 . 2 . . . B 358 GLU HG3 . 25130 1 298 . 2 2 20 20 GLU C C 13 179.315 0.15 . 1 . . . B 358 GLU C . 25130 1 299 . 2 2 20 20 GLU CA C 13 58.909 0.15 . 1 . . . B 358 GLU CA . 25130 1 300 . 2 2 20 20 GLU CB C 13 30.404 0.15 . 1 . . . B 358 GLU CB . 25130 1 301 . 2 2 20 20 GLU CG C 13 36.201 0.15 . 1 . . . B 358 GLU CG . 25130 1 302 . 2 2 20 20 GLU N N 15 118.591 0.15 . 1 . . . B 358 GLU N . 25130 1 303 . 2 2 21 21 ILE H H 1 8.243 0.015 . 1 . . . B 359 ILE H . 25130 1 304 . 2 2 21 21 ILE HA H 1 3.464 0.015 . 1 . . . B 359 ILE HA . 25130 1 305 . 2 2 21 21 ILE HB H 1 1.945 0.015 . 1 . . . B 359 ILE HB . 25130 1 306 . 2 2 21 21 ILE HG12 H 1 1.978 0.015 . 2 . . . B 359 ILE HG12 . 25130 1 307 . 2 2 21 21 ILE HG13 H 1 0.83 0.015 . 2 . . . B 359 ILE HG13 . 25130 1 308 . 2 2 21 21 ILE HG21 H 1 0.724 0.015 . 1 . . . B 359 ILE HG21 . 25130 1 309 . 2 2 21 21 ILE HG22 H 1 0.724 0.015 . 1 . . . B 359 ILE HG22 . 25130 1 310 . 2 2 21 21 ILE HG23 H 1 0.724 0.015 . 1 . . . B 359 ILE HG23 . 25130 1 311 . 2 2 21 21 ILE HD11 H 1 0.664 0.015 . 1 . . . B 359 ILE HD11 . 25130 1 312 . 2 2 21 21 ILE HD12 H 1 0.664 0.015 . 1 . . . B 359 ILE HD12 . 25130 1 313 . 2 2 21 21 ILE HD13 H 1 0.664 0.015 . 1 . . . B 359 ILE HD13 . 25130 1 314 . 2 2 21 21 ILE C C 13 177.2 0.15 . 1 . . . B 359 ILE C . 25130 1 315 . 2 2 21 21 ILE CA C 13 66.236 0.15 . 1 . . . B 359 ILE CA . 25130 1 316 . 2 2 21 21 ILE CB C 13 38.527 0.15 . 1 . . . B 359 ILE CB . 25130 1 317 . 2 2 21 21 ILE CG1 C 13 29.008 0.15 . 1 . . . B 359 ILE CG1 . 25130 1 318 . 2 2 21 21 ILE CG2 C 13 17.479 0.15 . 1 . . . B 359 ILE CG2 . 25130 1 319 . 2 2 21 21 ILE CD1 C 13 14.258 0.15 . 1 . . . B 359 ILE CD1 . 25130 1 320 . 2 2 21 21 ILE N N 15 121.398 0.15 . 1 . . . B 359 ILE N . 25130 1 321 . 2 2 22 22 LYS H H 1 7.764 0.015 . 1 . . . B 360 LYS H . 25130 1 322 . 2 2 22 22 LYS HA H 1 3.523 0.015 . 1 . . . B 360 LYS HA . 25130 1 323 . 2 2 22 22 LYS HB2 H 1 1.331 0.015 . 2 . . . B 360 LYS HB2 . 25130 1 324 . 2 2 22 22 LYS HB3 H 1 1.117 0.015 . 2 . . . B 360 LYS HB3 . 25130 1 325 . 2 2 22 22 LYS HG2 H 1 0.935 0.015 . 2 . . . B 360 LYS HG2 . 25130 1 326 . 2 2 22 22 LYS HG3 H 1 0.482 0.015 . 2 . . . B 360 LYS HG3 . 25130 1 327 . 2 2 22 22 LYS HD2 H 1 1.014 0.015 . 2 . . . B 360 LYS HD2 . 25130 1 328 . 2 2 22 22 LYS HD3 H 1 0.976 0.015 . 2 . . . B 360 LYS HD3 . 25130 1 329 . 2 2 22 22 LYS HE2 H 1 2.276 0.015 . 2 . . . B 360 LYS HE2 . 25130 1 330 . 2 2 22 22 LYS HE3 H 1 1.93 0.015 . 2 . . . B 360 LYS HE3 . 25130 1 331 . 2 2 22 22 LYS C C 13 179.198 0.15 . 1 . . . B 360 LYS C . 25130 1 332 . 2 2 22 22 LYS CA C 13 59.887 0.15 . 1 . . . B 360 LYS CA . 25130 1 333 . 2 2 22 22 LYS CB C 13 31.537 0.15 . 1 . . . B 360 LYS CB . 25130 1 334 . 2 2 22 22 LYS CG C 13 24.994 0.15 . 1 . . . B 360 LYS CG . 25130 1 335 . 2 2 22 22 LYS CD C 13 28.781 0.15 . 1 . . . B 360 LYS CD . 25130 1 336 . 2 2 22 22 LYS CE C 13 40.839 0.15 . 1 . . . B 360 LYS CE . 25130 1 337 . 2 2 22 22 LYS N N 15 116.009 0.15 . 1 . . . B 360 LYS N . 25130 1 338 . 2 2 23 23 ASN H H 1 8.465 0.015 . 1 . . . B 361 ASN H . 25130 1 339 . 2 2 23 23 ASN HA H 1 4.314 0.015 . 1 . . . B 361 ASN HA . 25130 1 340 . 2 2 23 23 ASN HB2 H 1 2.708 0.015 . 2 . . . B 361 ASN HB2 . 25130 1 341 . 2 2 23 23 ASN HB3 H 1 2.603 0.015 . 2 . . . B 361 ASN HB3 . 25130 1 342 . 2 2 23 23 ASN HD21 H 1 7.394 0.015 . 2 . . . B 361 ASN HD21 . 25130 1 343 . 2 2 23 23 ASN HD22 H 1 6.908 0.015 . 2 . . . B 361 ASN HD22 . 25130 1 344 . 2 2 23 23 ASN C C 13 177.859 0.15 . 1 . . . B 361 ASN C . 25130 1 345 . 2 2 23 23 ASN CA C 13 55.5 0.15 . 1 . . . B 361 ASN CA . 25130 1 346 . 2 2 23 23 ASN CB C 13 38.599 0.15 . 1 . . . B 361 ASN CB . 25130 1 347 . 2 2 23 23 ASN N N 15 114.7 0.15 . 1 . . . B 361 ASN N . 25130 1 348 . 2 2 23 23 ASN ND2 N 15 112.746 0.15 . 1 . . . B 361 ASN ND2 . 25130 1 349 . 2 2 24 24 SER H H 1 7.956 0.015 . 1 . . . B 362 SER H . 25130 1 350 . 2 2 24 24 SER HA H 1 4.277 0.015 . 1 . . . B 362 SER HA . 25130 1 351 . 2 2 24 24 SER HB2 H 1 4.185 0.015 . 2 . . . B 362 SER HB2 . 25130 1 352 . 2 2 24 24 SER HB3 H 1 3.917 0.015 . 2 . . . B 362 SER HB3 . 25130 1 353 . 2 2 24 24 SER C C 13 175.667 0.15 . 1 . . . B 362 SER C . 25130 1 354 . 2 2 24 24 SER CA C 13 61.629 0.15 . 1 . . . B 362 SER CA . 25130 1 355 . 2 2 24 24 SER CB C 13 62.944 0.15 . 1 . . . B 362 SER CB . 25130 1 356 . 2 2 24 24 SER N N 15 114.981 0.15 . 1 . . . B 362 SER N . 25130 1 357 . 2 2 25 25 LEU H H 1 6.993 0.015 . 1 . . . B 363 LEU H . 25130 1 358 . 2 2 25 25 LEU HA H 1 4.597 0.015 . 1 . . . B 363 LEU HA . 25130 1 359 . 2 2 25 25 LEU HB2 H 1 1.717 0.015 . 2 . . . B 363 LEU HB2 . 25130 1 360 . 2 2 25 25 LEU HB3 H 1 1.385 0.015 . 2 . . . B 363 LEU HB3 . 25130 1 361 . 2 2 25 25 LEU HG H 1 1.72 0.015 . 1 . . . B 363 LEU HG . 25130 1 362 . 2 2 25 25 LEU HD11 H 1 0.276 0.015 . 2 . . . B 363 LEU HD11 . 25130 1 363 . 2 2 25 25 LEU HD12 H 1 0.276 0.015 . 2 . . . B 363 LEU HD12 . 25130 1 364 . 2 2 25 25 LEU HD13 H 1 0.276 0.015 . 2 . . . B 363 LEU HD13 . 25130 1 365 . 2 2 25 25 LEU HD21 H 1 0.489 0.015 . 2 . . . B 363 LEU HD21 . 25130 1 366 . 2 2 25 25 LEU HD22 H 1 0.489 0.015 . 2 . . . B 363 LEU HD22 . 25130 1 367 . 2 2 25 25 LEU HD23 H 1 0.489 0.015 . 2 . . . B 363 LEU HD23 . 25130 1 368 . 2 2 25 25 LEU C C 13 175.685 0.15 . 1 . . . B 363 LEU C . 25130 1 369 . 2 2 25 25 LEU CA C 13 52.726 0.15 . 1 . . . B 363 LEU CA . 25130 1 370 . 2 2 25 25 LEU CB C 13 40.686 0.15 . 1 . . . B 363 LEU CB . 25130 1 371 . 2 2 25 25 LEU CG C 13 25.644 0.15 . 1 . . . B 363 LEU CG . 25130 1 372 . 2 2 25 25 LEU CD1 C 13 21.58 0.15 . 1 . . . B 363 LEU CD1 . 25130 1 373 . 2 2 25 25 LEU CD2 C 13 26.32 0.15 . 1 . . . B 363 LEU CD2 . 25130 1 374 . 2 2 25 25 LEU N N 15 119.393 0.15 . 1 . . . B 363 LEU N . 25130 1 375 . 2 2 26 26 LYS H H 1 6.811 0.015 . 1 . . . B 364 LYS H . 25130 1 376 . 2 2 26 26 LYS HA H 1 4.428 0.015 . 1 . . . B 364 LYS HA . 25130 1 377 . 2 2 26 26 LYS HB2 H 1 1.8 0.015 . 2 . . . B 364 LYS HB2 . 25130 1 378 . 2 2 26 26 LYS HB3 H 1 1.705 0.015 . 2 . . . B 364 LYS HB3 . 25130 1 379 . 2 2 26 26 LYS HG2 H 1 1.701 0.015 . 2 . . . B 364 LYS HG2 . 25130 1 380 . 2 2 26 26 LYS HG3 H 1 1.464 0.015 . 2 . . . B 364 LYS HG3 . 25130 1 381 . 2 2 26 26 LYS HD2 H 1 1.7 0.015 . 2 . . . B 364 LYS HD2 . 25130 1 382 . 2 2 26 26 LYS HD3 H 1 1.7 0.015 . 2 . . . B 364 LYS HD3 . 25130 1 383 . 2 2 26 26 LYS HE2 H 1 2.971 0.015 . 2 . . . B 364 LYS HE2 . 25130 1 384 . 2 2 26 26 LYS HE3 H 1 2.971 0.015 . 2 . . . B 364 LYS HE3 . 25130 1 385 . 2 2 26 26 LYS C C 13 177.911 0.15 . 1 . . . B 364 LYS C . 25130 1 386 . 2 2 26 26 LYS CA C 13 56.606 0.15 . 1 . . . B 364 LYS CA . 25130 1 387 . 2 2 26 26 LYS CB C 13 32.972 0.15 . 1 . . . B 364 LYS CB . 25130 1 388 . 2 2 26 26 LYS CG C 13 24.992 0.15 . 1 . . . B 364 LYS CG . 25130 1 389 . 2 2 26 26 LYS CD C 13 29.351 0.15 . 1 . . . B 364 LYS CD . 25130 1 390 . 2 2 26 26 LYS CE C 13 41.996 0.15 . 1 . . . B 364 LYS CE . 25130 1 391 . 2 2 26 26 LYS N N 15 121.786 0.15 . 1 . . . B 364 LYS N . 25130 1 392 . 2 2 27 27 ILE H H 1 8.31 0.015 . 1 . . . B 365 ILE H . 25130 1 393 . 2 2 27 27 ILE HA H 1 3.635 0.015 . 1 . . . B 365 ILE HA . 25130 1 394 . 2 2 27 27 ILE HB H 1 1.493 0.015 . 1 . . . B 365 ILE HB . 25130 1 395 . 2 2 27 27 ILE HG12 H 1 1.288 0.015 . 2 . . . B 365 ILE HG12 . 25130 1 396 . 2 2 27 27 ILE HG13 H 1 0.972 0.015 . 2 . . . B 365 ILE HG13 . 25130 1 397 . 2 2 27 27 ILE HG21 H 1 0.789 0.015 . 1 . . . B 365 ILE HG21 . 25130 1 398 . 2 2 27 27 ILE HG22 H 1 0.789 0.015 . 1 . . . B 365 ILE HG22 . 25130 1 399 . 2 2 27 27 ILE HG23 H 1 0.789 0.015 . 1 . . . B 365 ILE HG23 . 25130 1 400 . 2 2 27 27 ILE HD11 H 1 0.635 0.015 . 1 . . . B 365 ILE HD11 . 25130 1 401 . 2 2 27 27 ILE HD12 H 1 0.635 0.015 . 1 . . . B 365 ILE HD12 . 25130 1 402 . 2 2 27 27 ILE HD13 H 1 0.635 0.015 . 1 . . . B 365 ILE HD13 . 25130 1 403 . 2 2 27 27 ILE C C 13 176.145 0.15 . 1 . . . B 365 ILE C . 25130 1 404 . 2 2 27 27 ILE CA C 13 64.074 0.15 . 1 . . . B 365 ILE CA . 25130 1 405 . 2 2 27 27 ILE CB C 13 38.635 0.15 . 1 . . . B 365 ILE CB . 25130 1 406 . 2 2 27 27 ILE CG1 C 13 28.397 0.15 . 1 . . . B 365 ILE CG1 . 25130 1 407 . 2 2 27 27 ILE CG2 C 13 16.934 0.15 . 1 . . . B 365 ILE CG2 . 25130 1 408 . 2 2 27 27 ILE CD1 C 13 13.562 0.15 . 1 . . . B 365 ILE CD1 . 25130 1 409 . 2 2 27 27 ILE N N 15 123.48 0.15 . 1 . . . B 365 ILE N . 25130 1 410 . 2 2 28 28 ASP H H 1 8.345 0.015 . 1 . . . B 366 ASP H . 25130 1 411 . 2 2 28 28 ASP HA H 1 4.422 0.015 . 1 . . . B 366 ASP HA . 25130 1 412 . 2 2 28 28 ASP HB2 H 1 2.746 0.015 . 2 . . . B 366 ASP HB2 . 25130 1 413 . 2 2 28 28 ASP HB3 H 1 2.632 0.015 . 2 . . . B 366 ASP HB3 . 25130 1 414 . 2 2 28 28 ASP C C 13 175.603 0.15 . 1 . . . B 366 ASP C . 25130 1 415 . 2 2 28 28 ASP CA C 13 54.521 0.15 . 1 . . . B 366 ASP CA . 25130 1 416 . 2 2 28 28 ASP CB C 13 40.209 0.15 . 1 . . . B 366 ASP CB . 25130 1 417 . 2 2 28 28 ASP N N 15 117.746 0.15 . 1 . . . B 366 ASP N . 25130 1 418 . 2 2 29 29 ASN H H 1 8.002 0.015 . 1 . . . B 367 ASN H . 25130 1 419 . 2 2 29 29 ASN HA H 1 4.727 0.015 . 1 . . . B 367 ASN HA . 25130 1 420 . 2 2 29 29 ASN HB2 H 1 2.694 0.015 . 2 . . . B 367 ASN HB2 . 25130 1 421 . 2 2 29 29 ASN HB3 H 1 2.408 0.015 . 2 . . . B 367 ASN HB3 . 25130 1 422 . 2 2 29 29 ASN HD21 H 1 7.3 0.015 . 2 . . . B 367 ASN HD21 . 25130 1 423 . 2 2 29 29 ASN HD22 H 1 6.835 0.015 . 2 . . . B 367 ASN HD22 . 25130 1 424 . 2 2 29 29 ASN C C 13 172.857 0.15 . 1 . . . B 367 ASN C . 25130 1 425 . 2 2 29 29 ASN CA C 13 52.962 0.15 . 1 . . . B 367 ASN CA . 25130 1 426 . 2 2 29 29 ASN CB C 13 39.279 0.15 . 1 . . . B 367 ASN CB . 25130 1 427 . 2 2 29 29 ASN N N 15 119.699 0.15 . 1 . . . B 367 ASN N . 25130 1 428 . 2 2 29 29 ASN ND2 N 15 111.958 0.15 . 1 . . . B 367 ASN ND2 . 25130 1 429 . 2 2 30 30 LEU H H 1 8.123 0.015 . 1 . . . B 368 LEU H . 25130 1 430 . 2 2 30 30 LEU HA H 1 4.225 0.015 . 1 . . . B 368 LEU HA . 25130 1 431 . 2 2 30 30 LEU HB2 H 1 1.841 0.015 . 2 . . . B 368 LEU HB2 . 25130 1 432 . 2 2 30 30 LEU HB3 H 1 1.348 0.015 . 2 . . . B 368 LEU HB3 . 25130 1 433 . 2 2 30 30 LEU HG H 1 1.763 0.015 . 1 . . . B 368 LEU HG . 25130 1 434 . 2 2 30 30 LEU HD11 H 1 1.012 0.015 . 2 . . . B 368 LEU HD11 . 25130 1 435 . 2 2 30 30 LEU HD12 H 1 1.012 0.015 . 2 . . . B 368 LEU HD12 . 25130 1 436 . 2 2 30 30 LEU HD13 H 1 1.012 0.015 . 2 . . . B 368 LEU HD13 . 25130 1 437 . 2 2 30 30 LEU HD21 H 1 0.856 0.015 . 2 . . . B 368 LEU HD21 . 25130 1 438 . 2 2 30 30 LEU HD22 H 1 0.856 0.015 . 2 . . . B 368 LEU HD22 . 25130 1 439 . 2 2 30 30 LEU HD23 H 1 0.856 0.015 . 2 . . . B 368 LEU HD23 . 25130 1 440 . 2 2 30 30 LEU C C 13 177.5 0.15 . 1 . . . B 368 LEU C . 25130 1 441 . 2 2 30 30 LEU CA C 13 56.094 0.15 . 1 . . . B 368 LEU CA . 25130 1 442 . 2 2 30 30 LEU CB C 13 42.916 0.15 . 1 . . . B 368 LEU CB . 25130 1 443 . 2 2 30 30 LEU CG C 13 26.652 0.15 . 1 . . . B 368 LEU CG . 25130 1 444 . 2 2 30 30 LEU CD1 C 13 25.566 0.15 . 1 . . . B 368 LEU CD1 . 25130 1 445 . 2 2 30 30 LEU CD2 C 13 24.42 0.15 . 1 . . . B 368 LEU CD2 . 25130 1 446 . 2 2 30 30 LEU N N 15 122.577 0.15 . 1 . . . B 368 LEU N . 25130 1 447 . 2 2 31 31 ASP H H 1 9.345 0.015 . 1 . . . B 369 ASP H . 25130 1 448 . 2 2 31 31 ASP HA H 1 4.79 0.015 . 1 . . . B 369 ASP HA . 25130 1 449 . 2 2 31 31 ASP HB2 H 1 2.969 0.015 . 2 . . . B 369 ASP HB2 . 25130 1 450 . 2 2 31 31 ASP HB3 H 1 2.406 0.015 . 2 . . . B 369 ASP HB3 . 25130 1 451 . 2 2 31 31 ASP C C 13 175.435 0.15 . 1 . . . B 369 ASP C . 25130 1 452 . 2 2 31 31 ASP CA C 13 52.138 0.15 . 1 . . . B 369 ASP CA . 25130 1 453 . 2 2 31 31 ASP CB C 13 40.78 0.15 . 1 . . . B 369 ASP CB . 25130 1 454 . 2 2 31 31 ASP N N 15 126.365 0.15 . 1 . . . B 369 ASP N . 25130 1 455 . 2 2 32 32 VAL H H 1 8.322 0.015 . 1 . . . B 370 VAL H . 25130 1 456 . 2 2 32 32 VAL HA H 1 3.447 0.015 . 1 . . . B 370 VAL HA . 25130 1 457 . 2 2 32 32 VAL HB H 1 2.083 0.015 . 1 . . . B 370 VAL HB . 25130 1 458 . 2 2 32 32 VAL HG11 H 1 1.09 0.015 . 2 . . . B 370 VAL HG11 . 25130 1 459 . 2 2 32 32 VAL HG12 H 1 1.09 0.015 . 2 . . . B 370 VAL HG12 . 25130 1 460 . 2 2 32 32 VAL HG13 H 1 1.09 0.015 . 2 . . . B 370 VAL HG13 . 25130 1 461 . 2 2 32 32 VAL HG21 H 1 1.052 0.015 . 2 . . . B 370 VAL HG21 . 25130 1 462 . 2 2 32 32 VAL HG22 H 1 1.052 0.015 . 2 . . . B 370 VAL HG22 . 25130 1 463 . 2 2 32 32 VAL HG23 H 1 1.052 0.015 . 2 . . . B 370 VAL HG23 . 25130 1 464 . 2 2 32 32 VAL C C 13 177.68 0.15 . 1 . . . B 370 VAL C . 25130 1 465 . 2 2 32 32 VAL CA C 13 66.447 0.15 . 1 . . . B 370 VAL CA . 25130 1 466 . 2 2 32 32 VAL CB C 13 32.052 0.15 . 1 . . . B 370 VAL CB . 25130 1 467 . 2 2 32 32 VAL CG1 C 13 21.572 0.15 . 1 . . . B 370 VAL CG1 . 25130 1 468 . 2 2 32 32 VAL CG2 C 13 21.484 0.15 . 1 . . . B 370 VAL CG2 . 25130 1 469 . 2 2 32 32 VAL N N 15 122.346 0.15 . 1 . . . B 370 VAL N . 25130 1 470 . 2 2 33 33 ASN H H 1 8.532 0.015 . 1 . . . B 371 ASN H . 25130 1 471 . 2 2 33 33 ASN HA H 1 4.366 0.015 . 1 . . . B 371 ASN HA . 25130 1 472 . 2 2 33 33 ASN HB2 H 1 2.821 0.015 . 2 . . . B 371 ASN HB2 . 25130 1 473 . 2 2 33 33 ASN HB3 H 1 2.752 0.015 . 2 . . . B 371 ASN HB3 . 25130 1 474 . 2 2 33 33 ASN HD21 H 1 7.707 0.015 . 2 . . . B 371 ASN HD21 . 25130 1 475 . 2 2 33 33 ASN HD22 H 1 6.876 0.015 . 2 . . . B 371 ASN HD22 . 25130 1 476 . 2 2 33 33 ASN C C 13 177.548 0.15 . 1 . . . B 371 ASN C . 25130 1 477 . 2 2 33 33 ASN CA C 13 56.549 0.15 . 1 . . . B 371 ASN CA . 25130 1 478 . 2 2 33 33 ASN CB C 13 37.558 0.15 . 1 . . . B 371 ASN CB . 25130 1 479 . 2 2 33 33 ASN N N 15 117.746 0.15 . 1 . . . B 371 ASN N . 25130 1 480 . 2 2 33 33 ASN ND2 N 15 113.064 0.15 . 1 . . . B 371 ASN ND2 . 25130 1 481 . 2 2 34 34 ARG H H 1 7.564 0.015 . 1 . . . B 372 ARG H . 25130 1 482 . 2 2 34 34 ARG HA H 1 4.028 0.015 . 1 . . . B 372 ARG HA . 25130 1 483 . 2 2 34 34 ARG HB2 H 1 1.729 0.015 . 2 . . . B 372 ARG HB2 . 25130 1 484 . 2 2 34 34 ARG HB3 H 1 1.729 0.015 . 2 . . . B 372 ARG HB3 . 25130 1 485 . 2 2 34 34 ARG HG2 H 1 1.663 0.015 . 2 . . . B 372 ARG HG2 . 25130 1 486 . 2 2 34 34 ARG HG3 H 1 1.435 0.015 . 2 . . . B 372 ARG HG3 . 25130 1 487 . 2 2 34 34 ARG HD2 H 1 3.152 0.015 . 2 . . . B 372 ARG HD2 . 25130 1 488 . 2 2 34 34 ARG HD3 H 1 2.942 0.015 . 2 . . . B 372 ARG HD3 . 25130 1 489 . 2 2 34 34 ARG C C 13 178.363 0.15 . 1 . . . B 372 ARG C . 25130 1 490 . 2 2 34 34 ARG CA C 13 58.552 0.15 . 1 . . . B 372 ARG CA . 25130 1 491 . 2 2 34 34 ARG CB C 13 30.69 0.15 . 1 . . . B 372 ARG CB . 25130 1 492 . 2 2 34 34 ARG CG C 13 26.963 0.15 . 1 . . . B 372 ARG CG . 25130 1 493 . 2 2 34 34 ARG CD C 13 44.11 0.15 . 1 . . . B 372 ARG CD . 25130 1 494 . 2 2 34 34 ARG N N 15 121.727 0.15 . 1 . . . B 372 ARG N . 25130 1 495 . 2 2 35 35 CYS H H 1 7.718 0.015 . 1 . . . B 373 CYS H . 25130 1 496 . 2 2 35 35 CYS HA H 1 3.829 0.015 . 1 . . . B 373 CYS HA . 25130 1 497 . 2 2 35 35 CYS HB2 H 1 3.086 0.015 . 2 . . . B 373 CYS HB2 . 25130 1 498 . 2 2 35 35 CYS HB3 H 1 3.027 0.015 . 2 . . . B 373 CYS HB3 . 25130 1 499 . 2 2 35 35 CYS HG H 1 1.368 0.015 . 1 . . . B 373 CYS HG . 25130 1 500 . 2 2 35 35 CYS C C 13 176.684 0.15 . 1 . . . B 373 CYS C . 25130 1 501 . 2 2 35 35 CYS CA C 13 63.178 0.15 . 1 . . . B 373 CYS CA . 25130 1 502 . 2 2 35 35 CYS CB C 13 26.876 0.15 . 1 . . . B 373 CYS CB . 25130 1 503 . 2 2 35 35 CYS N N 15 120.371 0.15 . 1 . . . B 373 CYS N . 25130 1 504 . 2 2 36 36 ILE H H 1 8.382 0.015 . 1 . . . B 374 ILE H . 25130 1 505 . 2 2 36 36 ILE HA H 1 3.277 0.015 . 1 . . . B 374 ILE HA . 25130 1 506 . 2 2 36 36 ILE HB H 1 1.864 0.015 . 1 . . . B 374 ILE HB . 25130 1 507 . 2 2 36 36 ILE HG12 H 1 1.865 0.015 . 2 . . . B 374 ILE HG12 . 25130 1 508 . 2 2 36 36 ILE HG13 H 1 0.56 0.015 . 2 . . . B 374 ILE HG13 . 25130 1 509 . 2 2 36 36 ILE HG21 H 1 0.788 0.015 . 1 . . . B 374 ILE HG21 . 25130 1 510 . 2 2 36 36 ILE HG22 H 1 0.788 0.015 . 1 . . . B 374 ILE HG22 . 25130 1 511 . 2 2 36 36 ILE HG23 H 1 0.788 0.015 . 1 . . . B 374 ILE HG23 . 25130 1 512 . 2 2 36 36 ILE HD11 H 1 0.829 0.015 . 1 . . . B 374 ILE HD11 . 25130 1 513 . 2 2 36 36 ILE HD12 H 1 0.829 0.015 . 1 . . . B 374 ILE HD12 . 25130 1 514 . 2 2 36 36 ILE HD13 H 1 0.829 0.015 . 1 . . . B 374 ILE HD13 . 25130 1 515 . 2 2 36 36 ILE C C 13 176.779 0.15 . 1 . . . B 374 ILE C . 25130 1 516 . 2 2 36 36 ILE CA C 13 66.86 0.15 . 1 . . . B 374 ILE CA . 25130 1 517 . 2 2 36 36 ILE CB C 13 37.901 0.15 . 1 . . . B 374 ILE CB . 25130 1 518 . 2 2 36 36 ILE CG1 C 13 31.427 0.15 . 1 . . . B 374 ILE CG1 . 25130 1 519 . 2 2 36 36 ILE CG2 C 13 17.444 0.15 . 1 . . . B 374 ILE CG2 . 25130 1 520 . 2 2 36 36 ILE CD1 C 13 14.04 0.15 . 1 . . . B 374 ILE CD1 . 25130 1 521 . 2 2 36 36 ILE N N 15 119.43 0.15 . 1 . . . B 374 ILE N . 25130 1 522 . 2 2 37 37 GLU H H 1 7.872 0.015 . 1 . . . B 375 GLU H . 25130 1 523 . 2 2 37 37 GLU HA H 1 4.003 0.015 . 1 . . . B 375 GLU HA . 25130 1 524 . 2 2 37 37 GLU HB2 H 1 2.054 0.015 . 2 . . . B 375 GLU HB2 . 25130 1 525 . 2 2 37 37 GLU HB3 H 1 2.204 0.015 . 2 . . . B 375 GLU HB3 . 25130 1 526 . 2 2 37 37 GLU HG2 H 1 2.42 0.015 . 2 . . . B 375 GLU HG2 . 25130 1 527 . 2 2 37 37 GLU HG3 H 1 2.22 0.015 . 2 . . . B 375 GLU HG3 . 25130 1 528 . 2 2 37 37 GLU C C 13 179.617 0.15 . 1 . . . B 375 GLU C . 25130 1 529 . 2 2 37 37 GLU CA C 13 59.764 0.15 . 1 . . . B 375 GLU CA . 25130 1 530 . 2 2 37 37 GLU CB C 13 29.452 0.15 . 1 . . . B 375 GLU CB . 25130 1 531 . 2 2 37 37 GLU CG C 13 36.4 0.15 . 1 . . . B 375 GLU CG . 25130 1 532 . 2 2 37 37 GLU N N 15 117.962 0.15 . 1 . . . B 375 GLU N . 25130 1 533 . 2 2 38 38 ALA H H 1 7.524 0.015 . 1 . . . B 376 ALA H . 25130 1 534 . 2 2 38 38 ALA HA H 1 4.319 0.015 . 1 . . . B 376 ALA HA . 25130 1 535 . 2 2 38 38 ALA HB1 H 1 1.5 0.015 . 1 . . . B 376 ALA HB1 . 25130 1 536 . 2 2 38 38 ALA HB2 H 1 1.5 0.015 . 1 . . . B 376 ALA HB2 . 25130 1 537 . 2 2 38 38 ALA HB3 H 1 1.5 0.015 . 1 . . . B 376 ALA HB3 . 25130 1 538 . 2 2 38 38 ALA C C 13 179.373 0.15 . 1 . . . B 376 ALA C . 25130 1 539 . 2 2 38 38 ALA CA C 13 55.145 0.15 . 1 . . . B 376 ALA CA . 25130 1 540 . 2 2 38 38 ALA CB C 13 18.407 0.15 . 1 . . . B 376 ALA CB . 25130 1 541 . 2 2 38 38 ALA N N 15 123.042 0.15 . 1 . . . B 376 ALA N . 25130 1 542 . 2 2 39 39 LEU H H 1 8.43 0.015 . 1 . . . B 377 LEU H . 25130 1 543 . 2 2 39 39 LEU HA H 1 3.834 0.015 . 1 . . . B 377 LEU HA . 25130 1 544 . 2 2 39 39 LEU HB2 H 1 1.977 0.015 . 2 . . . B 377 LEU HB2 . 25130 1 545 . 2 2 39 39 LEU HB3 H 1 1.136 0.015 . 2 . . . B 377 LEU HB3 . 25130 1 546 . 2 2 39 39 LEU HG H 1 1.966 0.015 . 1 . . . B 377 LEU HG . 25130 1 547 . 2 2 39 39 LEU HD11 H 1 0.802 0.015 . 2 . . . B 377 LEU HD11 . 25130 1 548 . 2 2 39 39 LEU HD12 H 1 0.802 0.015 . 2 . . . B 377 LEU HD12 . 25130 1 549 . 2 2 39 39 LEU HD13 H 1 0.802 0.015 . 2 . . . B 377 LEU HD13 . 25130 1 550 . 2 2 39 39 LEU HD21 H 1 0.586 0.015 . 2 . . . B 377 LEU HD21 . 25130 1 551 . 2 2 39 39 LEU HD22 H 1 0.586 0.015 . 2 . . . B 377 LEU HD22 . 25130 1 552 . 2 2 39 39 LEU HD23 H 1 0.586 0.015 . 2 . . . B 377 LEU HD23 . 25130 1 553 . 2 2 39 39 LEU C C 13 179.782 0.15 . 1 . . . B 377 LEU C . 25130 1 554 . 2 2 39 39 LEU CA C 13 57.684 0.15 . 1 . . . B 377 LEU CA . 25130 1 555 . 2 2 39 39 LEU CB C 13 41.154 0.15 . 1 . . . B 377 LEU CB . 25130 1 556 . 2 2 39 39 LEU CG C 13 26.192 0.15 . 1 . . . B 377 LEU CG . 25130 1 557 . 2 2 39 39 LEU CD1 C 13 27.956 0.15 . 1 . . . B 377 LEU CD1 . 25130 1 558 . 2 2 39 39 LEU CD2 C 13 22.954 0.15 . 1 . . . B 377 LEU CD2 . 25130 1 559 . 2 2 39 39 LEU N N 15 118.337 0.15 . 1 . . . B 377 LEU N . 25130 1 560 . 2 2 40 40 ASP H H 1 8.892 0.015 . 1 . . . B 378 ASP H . 25130 1 561 . 2 2 40 40 ASP HA H 1 4.39 0.015 . 1 . . . B 378 ASP HA . 25130 1 562 . 2 2 40 40 ASP HB2 H 1 2.679 0.015 . 2 . . . B 378 ASP HB2 . 25130 1 563 . 2 2 40 40 ASP HB3 H 1 2.481 0.015 . 2 . . . B 378 ASP HB3 . 25130 1 564 . 2 2 40 40 ASP C C 13 179.404 0.15 . 1 . . . B 378 ASP C . 25130 1 565 . 2 2 40 40 ASP CA C 13 57.166 0.15 . 1 . . . B 378 ASP CA . 25130 1 566 . 2 2 40 40 ASP CB C 13 39.177 0.15 . 1 . . . B 378 ASP CB . 25130 1 567 . 2 2 40 40 ASP N N 15 121.697 0.15 . 1 . . . B 378 ASP N . 25130 1 568 . 2 2 41 41 GLU H H 1 8.12 0.015 . 1 . . . B 379 GLU H . 25130 1 569 . 2 2 41 41 GLU HA H 1 3.919 0.015 . 1 . . . B 379 GLU HA . 25130 1 570 . 2 2 41 41 GLU HB2 H 1 2.082 0.015 . 2 . . . B 379 GLU HB2 . 25130 1 571 . 2 2 41 41 GLU HB3 H 1 2.082 0.015 . 2 . . . B 379 GLU HB3 . 25130 1 572 . 2 2 41 41 GLU HG2 H 1 2.22 0.015 . 2 . . . B 379 GLU HG2 . 25130 1 573 . 2 2 41 41 GLU HG3 H 1 1.984 0.015 . 2 . . . B 379 GLU HG3 . 25130 1 574 . 2 2 41 41 GLU C C 13 180.26 0.15 . 1 . . . B 379 GLU C . 25130 1 575 . 2 2 41 41 GLU CA C 13 59.636 0.15 . 1 . . . B 379 GLU CA . 25130 1 576 . 2 2 41 41 GLU CB C 13 28.587 0.15 . 1 . . . B 379 GLU CB . 25130 1 577 . 2 2 41 41 GLU CG C 13 36.16 0.15 . 1 . . . B 379 GLU CG . 25130 1 578 . 2 2 41 41 GLU N N 15 123.868 0.15 . 1 . . . B 379 GLU N . 25130 1 579 . 2 2 42 42 LEU H H 1 8.457 0.015 . 1 . . . B 380 LEU H . 25130 1 580 . 2 2 42 42 LEU HA H 1 3.918 0.015 . 1 . . . B 380 LEU HA . 25130 1 581 . 2 2 42 42 LEU HB2 H 1 1.66 0.015 . 2 . . . B 380 LEU HB2 . 25130 1 582 . 2 2 42 42 LEU HB3 H 1 2.179 0.015 . 2 . . . B 380 LEU HB3 . 25130 1 583 . 2 2 42 42 LEU HG H 1 1.696 0.015 . 1 . . . B 380 LEU HG . 25130 1 584 . 2 2 42 42 LEU HD11 H 1 0.895 0.015 . 2 . . . B 380 LEU HD11 . 25130 1 585 . 2 2 42 42 LEU HD12 H 1 0.895 0.015 . 2 . . . B 380 LEU HD12 . 25130 1 586 . 2 2 42 42 LEU HD13 H 1 0.895 0.015 . 2 . . . B 380 LEU HD13 . 25130 1 587 . 2 2 42 42 LEU HD21 H 1 0.92 0.015 . 2 . . . B 380 LEU HD21 . 25130 1 588 . 2 2 42 42 LEU HD22 H 1 0.92 0.015 . 2 . . . B 380 LEU HD22 . 25130 1 589 . 2 2 42 42 LEU HD23 H 1 0.92 0.015 . 2 . . . B 380 LEU HD23 . 25130 1 590 . 2 2 42 42 LEU C C 13 178.59 0.15 . 1 . . . B 380 LEU C . 25130 1 591 . 2 2 42 42 LEU CA C 13 57.805 0.15 . 1 . . . B 380 LEU CA . 25130 1 592 . 2 2 42 42 LEU CB C 13 41.077 0.15 . 1 . . . B 380 LEU CB . 25130 1 593 . 2 2 42 42 LEU CG C 13 26.925 0.15 . 1 . . . B 380 LEU CG . 25130 1 594 . 2 2 42 42 LEU CD1 C 13 23.273 0.15 . 1 . . . B 380 LEU CD1 . 25130 1 595 . 2 2 42 42 LEU CD2 C 13 26.53 0.15 . 1 . . . B 380 LEU CD2 . 25130 1 596 . 2 2 42 42 LEU N N 15 121.433 0.15 . 1 . . . B 380 LEU N . 25130 1 597 . 2 2 43 43 ALA H H 1 8.303 0.015 . 1 . . . B 381 ALA H . 25130 1 598 . 2 2 43 43 ALA HA H 1 3.948 0.015 . 1 . . . B 381 ALA HA . 25130 1 599 . 2 2 43 43 ALA HB1 H 1 1.504 0.015 . 1 . . . B 381 ALA HB1 . 25130 1 600 . 2 2 43 43 ALA HB2 H 1 1.504 0.015 . 1 . . . B 381 ALA HB2 . 25130 1 601 . 2 2 43 43 ALA HB3 H 1 1.504 0.015 . 1 . . . B 381 ALA HB3 . 25130 1 602 . 2 2 43 43 ALA C C 13 178.002 0.15 . 1 . . . B 381 ALA C . 25130 1 603 . 2 2 43 43 ALA CA C 13 54.254 0.15 . 1 . . . B 381 ALA CA . 25130 1 604 . 2 2 43 43 ALA CB C 13 18.625 0.15 . 1 . . . B 381 ALA CB . 25130 1 605 . 2 2 43 43 ALA N N 15 119.019 0.15 . 1 . . . B 381 ALA N . 25130 1 606 . 2 2 44 44 SER H H 1 7.584 0.015 . 1 . . . B 382 SER H . 25130 1 607 . 2 2 44 44 SER HA H 1 4.347 0.015 . 1 . . . B 382 SER HA . 25130 1 608 . 2 2 44 44 SER HB2 H 1 3.919 0.015 . 2 . . . B 382 SER HB2 . 25130 1 609 . 2 2 44 44 SER HB3 H 1 3.978 0.015 . 2 . . . B 382 SER HB3 . 25130 1 610 . 2 2 44 44 SER C C 13 174.314 0.15 . 1 . . . B 382 SER C . 25130 1 611 . 2 2 44 44 SER CA C 13 59.281 0.15 . 1 . . . B 382 SER CA . 25130 1 612 . 2 2 44 44 SER CB C 13 64.116 0.15 . 1 . . . B 382 SER CB . 25130 1 613 . 2 2 44 44 SER N N 15 112.474 0.15 . 1 . . . B 382 SER N . 25130 1 614 . 2 2 45 45 LEU H H 1 7.219 0.015 . 1 . . . B 383 LEU H . 25130 1 615 . 2 2 45 45 LEU HA H 1 4.241 0.015 . 1 . . . B 383 LEU HA . 25130 1 616 . 2 2 45 45 LEU HB2 H 1 1.794 0.015 . 2 . . . B 383 LEU HB2 . 25130 1 617 . 2 2 45 45 LEU HB3 H 1 1.271 0.015 . 2 . . . B 383 LEU HB3 . 25130 1 618 . 2 2 45 45 LEU HG H 1 1.958 0.015 . 1 . . . B 383 LEU HG . 25130 1 619 . 2 2 45 45 LEU HD11 H 1 0.686 0.015 . 2 . . . B 383 LEU HD11 . 25130 1 620 . 2 2 45 45 LEU HD12 H 1 0.686 0.015 . 2 . . . B 383 LEU HD12 . 25130 1 621 . 2 2 45 45 LEU HD13 H 1 0.686 0.015 . 2 . . . B 383 LEU HD13 . 25130 1 622 . 2 2 45 45 LEU HD21 H 1 0.698 0.015 . 2 . . . B 383 LEU HD21 . 25130 1 623 . 2 2 45 45 LEU HD22 H 1 0.698 0.015 . 2 . . . B 383 LEU HD22 . 25130 1 624 . 2 2 45 45 LEU HD23 H 1 0.698 0.015 . 2 . . . B 383 LEU HD23 . 25130 1 625 . 2 2 45 45 LEU C C 13 177.041 0.15 . 1 . . . B 383 LEU C . 25130 1 626 . 2 2 45 45 LEU CA C 13 54.703 0.15 . 1 . . . B 383 LEU CA . 25130 1 627 . 2 2 45 45 LEU CB C 13 43.062 0.15 . 1 . . . B 383 LEU CB . 25130 1 628 . 2 2 45 45 LEU CG C 13 25.667 0.15 . 1 . . . B 383 LEU CG . 25130 1 629 . 2 2 45 45 LEU CD1 C 13 22.435 0.15 . 1 . . . B 383 LEU CD1 . 25130 1 630 . 2 2 45 45 LEU CD2 C 13 25.651 0.15 . 1 . . . B 383 LEU CD2 . 25130 1 631 . 2 2 45 45 LEU N N 15 122.164 0.15 . 1 . . . B 383 LEU N . 25130 1 632 . 2 2 46 46 GLN H H 1 8.526 0.015 . 1 . . . B 384 GLN H . 25130 1 633 . 2 2 46 46 GLN HA H 1 4.322 0.015 . 1 . . . B 384 GLN HA . 25130 1 634 . 2 2 46 46 GLN HB2 H 1 1.964 0.015 . 2 . . . B 384 GLN HB2 . 25130 1 635 . 2 2 46 46 GLN HB3 H 1 1.964 0.015 . 2 . . . B 384 GLN HB3 . 25130 1 636 . 2 2 46 46 GLN HG2 H 1 2.272 0.015 . 2 . . . B 384 GLN HG2 . 25130 1 637 . 2 2 46 46 GLN HG3 H 1 2.24 0.015 . 2 . . . B 384 GLN HG3 . 25130 1 638 . 2 2 46 46 GLN C C 13 174.386 0.15 . 1 . . . B 384 GLN C . 25130 1 639 . 2 2 46 46 GLN CA C 13 55.012 0.15 . 1 . . . B 384 GLN CA . 25130 1 640 . 2 2 46 46 GLN CB C 13 26.972 0.15 . 1 . . . B 384 GLN CB . 25130 1 641 . 2 2 46 46 GLN CG C 13 33.532 0.15 . 1 . . . B 384 GLN CG . 25130 1 642 . 2 2 46 46 GLN N N 15 122.743 0.15 . 1 . . . B 384 GLN N . 25130 1 643 . 2 2 47 47 VAL H H 1 7.798 0.015 . 1 . . . B 385 VAL H . 25130 1 644 . 2 2 47 47 VAL HA H 1 4.277 0.015 . 1 . . . B 385 VAL HA . 25130 1 645 . 2 2 47 47 VAL HB H 1 1.926 0.015 . 1 . . . B 385 VAL HB . 25130 1 646 . 2 2 47 47 VAL HG11 H 1 0.818 0.015 . 2 . . . B 385 VAL HG11 . 25130 1 647 . 2 2 47 47 VAL HG12 H 1 0.818 0.015 . 2 . . . B 385 VAL HG12 . 25130 1 648 . 2 2 47 47 VAL HG13 H 1 0.818 0.015 . 2 . . . B 385 VAL HG13 . 25130 1 649 . 2 2 47 47 VAL HG21 H 1 0.774 0.015 . 2 . . . B 385 VAL HG21 . 25130 1 650 . 2 2 47 47 VAL HG22 H 1 0.774 0.015 . 2 . . . B 385 VAL HG22 . 25130 1 651 . 2 2 47 47 VAL HG23 H 1 0.774 0.015 . 2 . . . B 385 VAL HG23 . 25130 1 652 . 2 2 47 47 VAL C C 13 176.032 0.15 . 1 . . . B 385 VAL C . 25130 1 653 . 2 2 47 47 VAL CA C 13 61.173 0.15 . 1 . . . B 385 VAL CA . 25130 1 654 . 2 2 47 47 VAL CB C 13 33.668 0.15 . 1 . . . B 385 VAL CB . 25130 1 655 . 2 2 47 47 VAL CG1 C 13 21.926 0.15 . 1 . . . B 385 VAL CG1 . 25130 1 656 . 2 2 47 47 VAL CG2 C 13 21.417 0.15 . 1 . . . B 385 VAL CG2 . 25130 1 657 . 2 2 47 47 VAL N N 15 123.077 0.15 . 1 . . . B 385 VAL N . 25130 1 658 . 2 2 48 48 THR H H 1 8.531 0.015 . 1 . . . B 386 THR H . 25130 1 659 . 2 2 48 48 THR HA H 1 4.46 0.015 . 1 . . . B 386 THR HA . 25130 1 660 . 2 2 48 48 THR HB H 1 4.659 0.015 . 1 . . . B 386 THR HB . 25130 1 661 . 2 2 48 48 THR HG1 H 1 5.531 0.015 . 1 . . . B 386 THR HG1 . 25130 1 662 . 2 2 48 48 THR HG21 H 1 1.244 0.015 . 1 . . . B 386 THR HG21 . 25130 1 663 . 2 2 48 48 THR HG22 H 1 1.244 0.015 . 1 . . . B 386 THR HG22 . 25130 1 664 . 2 2 48 48 THR HG23 H 1 1.244 0.015 . 1 . . . B 386 THR HG23 . 25130 1 665 . 2 2 48 48 THR C C 13 175.45 0.15 . 1 . . . B 386 THR C . 25130 1 666 . 2 2 48 48 THR CA C 13 60.482 0.15 . 1 . . . B 386 THR CA . 25130 1 667 . 2 2 48 48 THR CB C 13 71.283 0.15 . 1 . . . B 386 THR CB . 25130 1 668 . 2 2 48 48 THR CG2 C 13 21.557 0.15 . 1 . . . B 386 THR CG2 . 25130 1 669 . 2 2 48 48 THR N N 15 117.242 0.15 . 1 . . . B 386 THR N . 25130 1 670 . 2 2 49 49 MET H H 1 8.938 0.015 . 1 . . . B 387 MET H . 25130 1 671 . 2 2 49 49 MET HA H 1 4.121 0.015 . 1 . . . B 387 MET HA . 25130 1 672 . 2 2 49 49 MET HB2 H 1 2.164 0.015 . 2 . . . B 387 MET HB2 . 25130 1 673 . 2 2 49 49 MET HB3 H 1 2.001 0.015 . 2 . . . B 387 MET HB3 . 25130 1 674 . 2 2 49 49 MET C C 13 177.937 0.15 . 1 . . . B 387 MET C . 25130 1 675 . 2 2 49 49 MET CA C 13 59.088 0.15 . 1 . . . B 387 MET CA . 25130 1 676 . 2 2 49 49 MET CB C 13 32.112 0.15 . 1 . . . B 387 MET CB . 25130 1 677 . 2 2 49 49 MET N N 15 120.872 0.15 . 1 . . . B 387 MET N . 25130 1 678 . 2 2 50 50 GLN H H 1 8.348 0.015 . 1 . . . B 388 GLN H . 25130 1 679 . 2 2 50 50 GLN HA H 1 3.904 0.015 . 1 . . . B 388 GLN HA . 25130 1 680 . 2 2 50 50 GLN HB2 H 1 2.014 0.015 . 2 . . . B 388 GLN HB2 . 25130 1 681 . 2 2 50 50 GLN HB3 H 1 1.902 0.015 . 2 . . . B 388 GLN HB3 . 25130 1 682 . 2 2 50 50 GLN HG2 H 1 2.412 0.015 . 2 . . . B 388 GLN HG2 . 25130 1 683 . 2 2 50 50 GLN HG3 H 1 2.412 0.015 . 2 . . . B 388 GLN HG3 . 25130 1 684 . 2 2 50 50 GLN C C 13 178.945 0.15 . 1 . . . B 388 GLN C . 25130 1 685 . 2 2 50 50 GLN CA C 13 59.392 0.15 . 1 . . . B 388 GLN CA . 25130 1 686 . 2 2 50 50 GLN CB C 13 27.978 0.15 . 1 . . . B 388 GLN CB . 25130 1 687 . 2 2 50 50 GLN CG C 13 34.276 0.15 . 1 . . . B 388 GLN CG . 25130 1 688 . 2 2 50 50 GLN N N 15 117.051 0.15 . 1 . . . B 388 GLN N . 25130 1 689 . 2 2 51 51 GLN H H 1 7.61 0.015 . 1 . . . B 389 GLN H . 25130 1 690 . 2 2 51 51 GLN HA H 1 3.991 0.015 . 1 . . . B 389 GLN HA . 25130 1 691 . 2 2 51 51 GLN HB2 H 1 1.666 0.015 . 2 . . . B 389 GLN HB2 . 25130 1 692 . 2 2 51 51 GLN HB3 H 1 2.307 0.015 . 2 . . . B 389 GLN HB3 . 25130 1 693 . 2 2 51 51 GLN HG2 H 1 2.292 0.015 . 2 . . . B 389 GLN HG2 . 25130 1 694 . 2 2 51 51 GLN HG3 H 1 2.292 0.015 . 2 . . . B 389 GLN HG3 . 25130 1 695 . 2 2 51 51 GLN C C 13 178.413 0.15 . 1 . . . B 389 GLN C . 25130 1 696 . 2 2 51 51 GLN CA C 13 58.405 0.15 . 1 . . . B 389 GLN CA . 25130 1 697 . 2 2 51 51 GLN CB C 13 28.496 0.15 . 1 . . . B 389 GLN CB . 25130 1 698 . 2 2 51 51 GLN CG C 13 34.133 0.15 . 1 . . . B 389 GLN CG . 25130 1 699 . 2 2 51 51 GLN N N 15 118.883 0.15 . 1 . . . B 389 GLN N . 25130 1 700 . 2 2 52 52 ALA H H 1 8.239 0.015 . 1 . . . B 390 ALA H . 25130 1 701 . 2 2 52 52 ALA HA H 1 3.591 0.015 . 1 . . . B 390 ALA HA . 25130 1 702 . 2 2 52 52 ALA HB1 H 1 1.05 0.015 . 1 . . . B 390 ALA HB1 . 25130 1 703 . 2 2 52 52 ALA HB2 H 1 1.05 0.015 . 1 . . . B 390 ALA HB2 . 25130 1 704 . 2 2 52 52 ALA HB3 H 1 1.05 0.015 . 1 . . . B 390 ALA HB3 . 25130 1 705 . 2 2 52 52 ALA C C 13 178.931 0.15 . 1 . . . B 390 ALA C . 25130 1 706 . 2 2 52 52 ALA CA C 13 55.063 0.15 . 1 . . . B 390 ALA CA . 25130 1 707 . 2 2 52 52 ALA CB C 13 17.963 0.15 . 1 . . . B 390 ALA CB . 25130 1 708 . 2 2 52 52 ALA N N 15 121.192 0.15 . 1 . . . B 390 ALA N . 25130 1 709 . 2 2 53 53 GLN H H 1 7.782 0.015 . 1 . . . B 391 GLN H . 25130 1 710 . 2 2 53 53 GLN HA H 1 3.83 0.015 . 1 . . . B 391 GLN HA . 25130 1 711 . 2 2 53 53 GLN HB2 H 1 2.021 0.015 . 2 . . . B 391 GLN HB2 . 25130 1 712 . 2 2 53 53 GLN HB3 H 1 2.021 0.015 . 2 . . . B 391 GLN HB3 . 25130 1 713 . 2 2 53 53 GLN HG2 H 1 2.516 0.015 . 2 . . . B 391 GLN HG2 . 25130 1 714 . 2 2 53 53 GLN HG3 H 1 2.364 0.015 . 2 . . . B 391 GLN HG3 . 25130 1 715 . 2 2 53 53 GLN C C 13 177.389 0.15 . 1 . . . B 391 GLN C . 25130 1 716 . 2 2 53 53 GLN CA C 13 57.918 0.15 . 1 . . . B 391 GLN CA . 25130 1 717 . 2 2 53 53 GLN CB C 13 28.113 0.15 . 1 . . . B 391 GLN CB . 25130 1 718 . 2 2 53 53 GLN CG C 13 34.12 0.15 . 1 . . . B 391 GLN CG . 25130 1 719 . 2 2 53 53 GLN N N 15 113.49 0.15 . 1 . . . B 391 GLN N . 25130 1 720 . 2 2 54 54 LYS H H 1 7.314 0.015 . 1 . . . B 392 LYS H . 25130 1 721 . 2 2 54 54 LYS HA H 1 4.102 0.015 . 1 . . . B 392 LYS HA . 25130 1 722 . 2 2 54 54 LYS HB2 H 1 1.696 0.015 . 2 . . . B 392 LYS HB2 . 25130 1 723 . 2 2 54 54 LYS HB3 H 1 1.696 0.015 . 2 . . . B 392 LYS HB3 . 25130 1 724 . 2 2 54 54 LYS HG2 H 1 1.342 0.015 . 2 . . . B 392 LYS HG2 . 25130 1 725 . 2 2 54 54 LYS HG3 H 1 1.206 0.015 . 2 . . . B 392 LYS HG3 . 25130 1 726 . 2 2 54 54 LYS HD2 H 1 1.606 0.015 . 2 . . . B 392 LYS HD2 . 25130 1 727 . 2 2 54 54 LYS HD3 H 1 1.606 0.015 . 2 . . . B 392 LYS HD3 . 25130 1 728 . 2 2 54 54 LYS HE2 H 1 2.874 0.015 . 2 . . . B 392 LYS HE2 . 25130 1 729 . 2 2 54 54 LYS HE3 H 1 2.874 0.015 . 2 . . . B 392 LYS HE3 . 25130 1 730 . 2 2 54 54 LYS C C 13 177.123 0.15 . 1 . . . B 392 LYS C . 25130 1 731 . 2 2 54 54 LYS CA C 13 57.32 0.15 . 1 . . . B 392 LYS CA . 25130 1 732 . 2 2 54 54 LYS CB C 13 32.467 0.15 . 1 . . . B 392 LYS CB . 25130 1 733 . 2 2 54 54 LYS CG C 13 24.873 0.15 . 1 . . . B 392 LYS CG . 25130 1 734 . 2 2 54 54 LYS CD C 13 29.106 0.15 . 1 . . . B 392 LYS CD . 25130 1 735 . 2 2 54 54 LYS CE C 13 41.841 0.15 . 1 . . . B 392 LYS CE . 25130 1 736 . 2 2 54 54 LYS N N 15 117.045 0.15 . 1 . . . B 392 LYS N . 25130 1 737 . 2 2 55 55 HIS H H 1 7.779 0.015 . 1 . . . B 393 HIS H . 25130 1 738 . 2 2 55 55 HIS HA H 1 4.641 0.015 . 1 . . . B 393 HIS HA . 25130 1 739 . 2 2 55 55 HIS HB2 H 1 3.158 0.015 . 2 . . . B 393 HIS HB2 . 25130 1 740 . 2 2 55 55 HIS HB3 H 1 2.671 0.015 . 2 . . . B 393 HIS HB3 . 25130 1 741 . 2 2 55 55 HIS HD2 H 1 7.216 0.015 . 1 . . . B 393 HIS HD2 . 25130 1 742 . 2 2 55 55 HIS C C 13 175.789 0.15 . 1 . . . B 393 HIS C . 25130 1 743 . 2 2 55 55 HIS CA C 13 55.347 0.15 . 1 . . . B 393 HIS CA . 25130 1 744 . 2 2 55 55 HIS CB C 13 29.042 0.15 . 1 . . . B 393 HIS CB . 25130 1 745 . 2 2 55 55 HIS N N 15 121.161 0.15 . 1 . . . B 393 HIS N . 25130 1 746 . 2 2 56 56 THR H H 1 7.407 0.015 . 1 . . . B 394 THR H . 25130 1 747 . 2 2 56 56 THR HA H 1 3.748 0.015 . 1 . . . B 394 THR HA . 25130 1 748 . 2 2 56 56 THR HB H 1 4.103 0.015 . 1 . . . B 394 THR HB . 25130 1 749 . 2 2 56 56 THR HG21 H 1 1.214 0.015 . 1 . . . B 394 THR HG21 . 25130 1 750 . 2 2 56 56 THR HG22 H 1 1.214 0.015 . 1 . . . B 394 THR HG22 . 25130 1 751 . 2 2 56 56 THR HG23 H 1 1.214 0.015 . 1 . . . B 394 THR HG23 . 25130 1 752 . 2 2 56 56 THR C C 13 177.139 0.15 . 1 . . . B 394 THR C . 25130 1 753 . 2 2 56 56 THR CA C 13 65.629 0.15 . 1 . . . B 394 THR CA . 25130 1 754 . 2 2 56 56 THR CB C 13 68.379 0.15 . 1 . . . B 394 THR CB . 25130 1 755 . 2 2 56 56 THR CG2 C 13 21.901 0.15 . 1 . . . B 394 THR CG2 . 25130 1 756 . 2 2 56 56 THR N N 15 113.638 0.15 . 1 . . . B 394 THR N . 25130 1 757 . 2 2 57 57 GLU H H 1 8.815 0.015 . 1 . . . B 395 GLU H . 25130 1 758 . 2 2 57 57 GLU C C 13 178.127 0.15 . 1 . . . B 395 GLU C . 25130 1 759 . 2 2 57 57 GLU CA C 13 59.376 0.15 . 1 . . . B 395 GLU CA . 25130 1 760 . 2 2 57 57 GLU CB C 13 28.348 0.15 . 1 . . . B 395 GLU CB . 25130 1 761 . 2 2 57 57 GLU N N 15 122.037 0.15 . 1 . . . B 395 GLU N . 25130 1 762 . 2 2 58 58 MET H H 1 7.71 0.015 . 1 . . . B 396 MET H . 25130 1 763 . 2 2 58 58 MET HA H 1 2.994 0.015 . 1 . . . B 396 MET HA . 25130 1 764 . 2 2 58 58 MET HB2 H 1 2.121 0.015 . 2 . . . B 396 MET HB2 . 25130 1 765 . 2 2 58 58 MET HB3 H 1 1.457 0.015 . 2 . . . B 396 MET HB3 . 25130 1 766 . 2 2 58 58 MET HG2 H 1 1.969 0.015 . 2 . . . B 396 MET HG2 . 25130 1 767 . 2 2 58 58 MET HG3 H 1 1.969 0.015 . 2 . . . B 396 MET HG3 . 25130 1 768 . 2 2 58 58 MET HE1 H 1 1.641 0.015 . 1 . . . B 396 MET HE1 . 25130 1 769 . 2 2 58 58 MET HE2 H 1 1.641 0.015 . 1 . . . B 396 MET HE2 . 25130 1 770 . 2 2 58 58 MET HE3 H 1 1.641 0.015 . 1 . . . B 396 MET HE3 . 25130 1 771 . 2 2 58 58 MET C C 13 177.22 0.15 . 1 . . . B 396 MET C . 25130 1 772 . 2 2 58 58 MET CA C 13 58.053 0.15 . 1 . . . B 396 MET CA . 25130 1 773 . 2 2 58 58 MET CB C 13 32.574 0.15 . 1 . . . B 396 MET CB . 25130 1 774 . 2 2 58 58 MET CG C 13 31.599 0.15 . 1 . . . B 396 MET CG . 25130 1 775 . 2 2 58 58 MET CE C 13 17.086 0.15 . 1 . . . B 396 MET CE . 25130 1 776 . 2 2 58 58 MET N N 15 120.759 0.15 . 1 . . . B 396 MET N . 25130 1 777 . 2 2 59 59 ILE H H 1 7.44 0.015 . 1 . . . B 397 ILE H . 25130 1 778 . 2 2 59 59 ILE HA H 1 3.513 0.015 . 1 . . . B 397 ILE HA . 25130 1 779 . 2 2 59 59 ILE HB H 1 2.08 0.015 . 1 . . . B 397 ILE HB . 25130 1 780 . 2 2 59 59 ILE HG12 H 1 1.487 0.015 . 2 . . . B 397 ILE HG12 . 25130 1 781 . 2 2 59 59 ILE HG13 H 1 0.968 0.015 . 2 . . . B 397 ILE HG13 . 25130 1 782 . 2 2 59 59 ILE HG21 H 1 1.006 0.015 . 1 . . . B 397 ILE HG21 . 25130 1 783 . 2 2 59 59 ILE HG22 H 1 1.006 0.015 . 1 . . . B 397 ILE HG22 . 25130 1 784 . 2 2 59 59 ILE HG23 H 1 1.006 0.015 . 1 . . . B 397 ILE HG23 . 25130 1 785 . 2 2 59 59 ILE HD11 H 1 0.579 0.015 . 1 . . . B 397 ILE HD11 . 25130 1 786 . 2 2 59 59 ILE HD12 H 1 0.579 0.015 . 1 . . . B 397 ILE HD12 . 25130 1 787 . 2 2 59 59 ILE HD13 H 1 0.579 0.015 . 1 . . . B 397 ILE HD13 . 25130 1 788 . 2 2 59 59 ILE C C 13 177.588 0.15 . 1 . . . B 397 ILE C . 25130 1 789 . 2 2 59 59 ILE CA C 13 65.221 0.15 . 1 . . . B 397 ILE CA . 25130 1 790 . 2 2 59 59 ILE CB C 13 36.557 0.15 . 1 . . . B 397 ILE CB . 25130 1 791 . 2 2 59 59 ILE CG1 C 13 28.877 0.15 . 1 . . . B 397 ILE CG1 . 25130 1 792 . 2 2 59 59 ILE CG2 C 13 18.064 0.15 . 1 . . . B 397 ILE CG2 . 25130 1 793 . 2 2 59 59 ILE CD1 C 13 12.265 0.15 . 1 . . . B 397 ILE CD1 . 25130 1 794 . 2 2 59 59 ILE N N 15 119.662 0.15 . 1 . . . B 397 ILE N . 25130 1 795 . 2 2 60 60 THR H H 1 7.931 0.015 . 1 . . . B 398 THR H . 25130 1 796 . 2 2 60 60 THR HA H 1 3.833 0.015 . 1 . . . B 398 THR HA . 25130 1 797 . 2 2 60 60 THR HB H 1 4.324 0.015 . 1 . . . B 398 THR HB . 25130 1 798 . 2 2 60 60 THR HG21 H 1 1.201 0.015 . 1 . . . B 398 THR HG21 . 25130 1 799 . 2 2 60 60 THR HG22 H 1 1.201 0.015 . 1 . . . B 398 THR HG22 . 25130 1 800 . 2 2 60 60 THR HG23 H 1 1.201 0.015 . 1 . . . B 398 THR HG23 . 25130 1 801 . 2 2 60 60 THR C C 13 176.324 0.15 . 1 . . . B 398 THR C . 25130 1 802 . 2 2 60 60 THR CA C 13 66.73 0.15 . 1 . . . B 398 THR CA . 25130 1 803 . 2 2 60 60 THR CB C 13 68.277 0.15 . 1 . . . B 398 THR CB . 25130 1 804 . 2 2 60 60 THR CG2 C 13 22.228 0.15 . 1 . . . B 398 THR CG2 . 25130 1 805 . 2 2 60 60 THR N N 15 117.45 0.15 . 1 . . . B 398 THR N . 25130 1 806 . 2 2 61 61 THR H H 1 8.185 0.015 . 1 . . . B 399 THR H . 25130 1 807 . 2 2 61 61 THR HA H 1 3.746 0.015 . 1 . . . B 399 THR HA . 25130 1 808 . 2 2 61 61 THR HB H 1 4.394 0.015 . 1 . . . B 399 THR HB . 25130 1 809 . 2 2 61 61 THR HG21 H 1 1.148 0.015 . 1 . . . B 399 THR HG21 . 25130 1 810 . 2 2 61 61 THR HG22 H 1 1.148 0.015 . 1 . . . B 399 THR HG22 . 25130 1 811 . 2 2 61 61 THR HG23 H 1 1.148 0.015 . 1 . . . B 399 THR HG23 . 25130 1 812 . 2 2 61 61 THR C C 13 175.763 0.15 . 1 . . . B 399 THR C . 25130 1 813 . 2 2 61 61 THR CA C 13 67.236 0.15 . 1 . . . B 399 THR CA . 25130 1 814 . 2 2 61 61 THR CB C 13 66.958 0.15 . 1 . . . B 399 THR CB . 25130 1 815 . 2 2 61 61 THR CG2 C 13 23.666 0.15 . 1 . . . B 399 THR CG2 . 25130 1 816 . 2 2 61 61 THR N N 15 121.876 0.15 . 1 . . . B 399 THR N . 25130 1 817 . 2 2 62 62 LEU H H 1 8.108 0.015 . 1 . . . B 400 LEU H . 25130 1 818 . 2 2 62 62 LEU HA H 1 3.808 0.015 . 1 . . . B 400 LEU HA . 25130 1 819 . 2 2 62 62 LEU HB2 H 1 2.216 0.015 . 2 . . . B 400 LEU HB2 . 25130 1 820 . 2 2 62 62 LEU HB3 H 1 1.329 0.015 . 2 . . . B 400 LEU HB3 . 25130 1 821 . 2 2 62 62 LEU HG H 1 1.881 0.015 . 1 . . . B 400 LEU HG . 25130 1 822 . 2 2 62 62 LEU HD11 H 1 0.7 0.015 . 2 . . . B 400 LEU HD11 . 25130 1 823 . 2 2 62 62 LEU HD12 H 1 0.7 0.015 . 2 . . . B 400 LEU HD12 . 25130 1 824 . 2 2 62 62 LEU HD13 H 1 0.7 0.015 . 2 . . . B 400 LEU HD13 . 25130 1 825 . 2 2 62 62 LEU HD21 H 1 0.81 0.015 . 2 . . . B 400 LEU HD21 . 25130 1 826 . 2 2 62 62 LEU HD22 H 1 0.81 0.015 . 2 . . . B 400 LEU HD22 . 25130 1 827 . 2 2 62 62 LEU HD23 H 1 0.81 0.015 . 2 . . . B 400 LEU HD23 . 25130 1 828 . 2 2 62 62 LEU C C 13 177.045 0.15 . 1 . . . B 400 LEU C . 25130 1 829 . 2 2 62 62 LEU CA C 13 57.796 0.15 . 1 . . . B 400 LEU CA . 25130 1 830 . 2 2 62 62 LEU CB C 13 42.035 0.15 . 1 . . . B 400 LEU CB . 25130 1 831 . 2 2 62 62 LEU CG C 13 26.373 0.15 . 1 . . . B 400 LEU CG . 25130 1 832 . 2 2 62 62 LEU CD1 C 13 22.65 0.15 . 1 . . . B 400 LEU CD1 . 25130 1 833 . 2 2 62 62 LEU CD2 C 13 26.104 0.15 . 1 . . . B 400 LEU CD2 . 25130 1 834 . 2 2 62 62 LEU N N 15 119.817 0.15 . 1 . . . B 400 LEU N . 25130 1 835 . 2 2 63 63 LYS H H 1 8.001 0.015 . 1 . . . B 401 LYS H . 25130 1 836 . 2 2 63 63 LYS HA H 1 2.755 0.015 . 1 . . . B 401 LYS HA . 25130 1 837 . 2 2 63 63 LYS HB2 H 1 1.92 0.015 . 2 . . . B 401 LYS HB2 . 25130 1 838 . 2 2 63 63 LYS HB3 H 1 1.599 0.015 . 2 . . . B 401 LYS HB3 . 25130 1 839 . 2 2 63 63 LYS HG2 H 1 0.949 0.015 . 2 . . . B 401 LYS HG2 . 25130 1 840 . 2 2 63 63 LYS HG3 H 1 0.487 0.015 . 2 . . . B 401 LYS HG3 . 25130 1 841 . 2 2 63 63 LYS HD2 H 1 1.562 0.015 . 2 . . . B 401 LYS HD2 . 25130 1 842 . 2 2 63 63 LYS HD3 H 1 1.562 0.015 . 2 . . . B 401 LYS HD3 . 25130 1 843 . 2 2 63 63 LYS HE2 H 1 2.79 0.015 . 2 . . . B 401 LYS HE2 . 25130 1 844 . 2 2 63 63 LYS HE3 H 1 2.79 0.015 . 2 . . . B 401 LYS HE3 . 25130 1 845 . 2 2 63 63 LYS C C 13 179.781 0.15 . 1 . . . B 401 LYS C . 25130 1 846 . 2 2 63 63 LYS CA C 13 59.115 0.15 . 1 . . . B 401 LYS CA . 25130 1 847 . 2 2 63 63 LYS CB C 13 32.872 0.15 . 1 . . . B 401 LYS CB . 25130 1 848 . 2 2 63 63 LYS CG C 13 25.591 0.15 . 1 . . . B 401 LYS CG . 25130 1 849 . 2 2 63 63 LYS CD C 13 29.644 0.15 . 1 . . . B 401 LYS CD . 25130 1 850 . 2 2 63 63 LYS CE C 13 42.139 0.15 . 1 . . . B 401 LYS CE . 25130 1 851 . 2 2 63 63 LYS N N 15 116.495 0.15 . 1 . . . B 401 LYS N . 25130 1 852 . 2 2 64 64 LYS H H 1 7.631 0.015 . 1 . . . B 402 LYS H . 25130 1 853 . 2 2 64 64 LYS HA H 1 3.772 0.015 . 1 . . . B 402 LYS HA . 25130 1 854 . 2 2 64 64 LYS HB2 H 1 1.61 0.015 . 2 . . . B 402 LYS HB2 . 25130 1 855 . 2 2 64 64 LYS HB3 H 1 1.61 0.015 . 2 . . . B 402 LYS HB3 . 25130 1 856 . 2 2 64 64 LYS HG2 H 1 1.362 0.015 . 2 . . . B 402 LYS HG2 . 25130 1 857 . 2 2 64 64 LYS HG3 H 1 1.095 0.015 . 2 . . . B 402 LYS HG3 . 25130 1 858 . 2 2 64 64 LYS HD2 H 1 1.501 0.015 . 2 . . . B 402 LYS HD2 . 25130 1 859 . 2 2 64 64 LYS HD3 H 1 1.501 0.015 . 2 . . . B 402 LYS HD3 . 25130 1 860 . 2 2 64 64 LYS HE2 H 1 2.775 0.015 . 2 . . . B 402 LYS HE2 . 25130 1 861 . 2 2 64 64 LYS HE3 H 1 2.775 0.015 . 2 . . . B 402 LYS HE3 . 25130 1 862 . 2 2 64 64 LYS CA C 13 58.974 0.15 . 1 . . . B 402 LYS CA . 25130 1 863 . 2 2 64 64 LYS CB C 13 32.686 0.15 . 1 . . . B 402 LYS CB . 25130 1 864 . 2 2 64 64 LYS CG C 13 25.047 0.15 . 1 . . . B 402 LYS CG . 25130 1 865 . 2 2 64 64 LYS CD C 13 29.655 0.15 . 1 . . . B 402 LYS CD . 25130 1 866 . 2 2 64 64 LYS CE C 13 41.973 0.15 . 1 . . . B 402 LYS CE . 25130 1 867 . 2 2 64 64 LYS N N 15 117.727 0.15 . 1 . . . B 402 LYS N . 25130 1 868 . 2 2 65 65 ILE H H 1 7.587 0.015 . 1 . . . B 403 ILE H . 25130 1 869 . 2 2 65 65 ILE HA H 1 3.705 0.015 . 1 . . . B 403 ILE HA . 25130 1 870 . 2 2 65 65 ILE HB H 1 1.827 0.015 . 1 . . . B 403 ILE HB . 25130 1 871 . 2 2 65 65 ILE HG12 H 1 1.467 0.015 . 2 . . . B 403 ILE HG12 . 25130 1 872 . 2 2 65 65 ILE HG13 H 1 1.467 0.015 . 2 . . . B 403 ILE HG13 . 25130 1 873 . 2 2 65 65 ILE HG21 H 1 0.63 0.015 . 1 . . . B 403 ILE HG21 . 25130 1 874 . 2 2 65 65 ILE HG22 H 1 0.63 0.015 . 1 . . . B 403 ILE HG22 . 25130 1 875 . 2 2 65 65 ILE HG23 H 1 0.63 0.015 . 1 . . . B 403 ILE HG23 . 25130 1 876 . 2 2 65 65 ILE HD11 H 1 0.6 0.015 . 1 . . . B 403 ILE HD11 . 25130 1 877 . 2 2 65 65 ILE HD12 H 1 0.6 0.015 . 1 . . . B 403 ILE HD12 . 25130 1 878 . 2 2 65 65 ILE HD13 H 1 0.6 0.015 . 1 . . . B 403 ILE HD13 . 25130 1 879 . 2 2 65 65 ILE C C 13 173.484 0.15 . 1 . . . B 403 ILE C . 25130 1 880 . 2 2 65 65 ILE CA C 13 64.144 0.15 . 1 . . . B 403 ILE CA . 25130 1 881 . 2 2 65 65 ILE CB C 13 36.674 0.15 . 1 . . . B 403 ILE CB . 25130 1 882 . 2 2 65 65 ILE CG1 C 13 25.257 0.15 . 1 . . . B 403 ILE CG1 . 25130 1 883 . 2 2 65 65 ILE CG2 C 13 17.461 0.15 . 1 . . . B 403 ILE CG2 . 25130 1 884 . 2 2 65 65 ILE CD1 C 13 14.579 0.15 . 1 . . . B 403 ILE CD1 . 25130 1 885 . 2 2 65 65 ILE N N 15 111.783 0.15 . 1 . . . B 403 ILE N . 25130 1 886 . 2 2 66 66 ARG H H 1 6.963 0.015 . 1 . . . B 404 ARG H . 25130 1 887 . 2 2 66 66 ARG HA H 1 4.153 0.015 . 1 . . . B 404 ARG HA . 25130 1 888 . 2 2 66 66 ARG HB2 H 1 1.641 0.015 . 2 . . . B 404 ARG HB2 . 25130 1 889 . 2 2 66 66 ARG HB3 H 1 1.641 0.015 . 2 . . . B 404 ARG HB3 . 25130 1 890 . 2 2 66 66 ARG HG2 H 1 1.509 0.015 . 2 . . . B 404 ARG HG2 . 25130 1 891 . 2 2 66 66 ARG HG3 H 1 2.047 0.015 . 2 . . . B 404 ARG HG3 . 25130 1 892 . 2 2 66 66 ARG C C 13 176.668 0.15 . 1 . . . B 404 ARG C . 25130 1 893 . 2 2 66 66 ARG CA C 13 58.596 0.15 . 1 . . . B 404 ARG CA . 25130 1 894 . 2 2 66 66 ARG CB C 13 30.692 0.15 . 1 . . . B 404 ARG CB . 25130 1 895 . 2 2 66 66 ARG CG C 13 25.01 0.15 . 1 . . . B 404 ARG CG . 25130 1 896 . 2 2 66 66 ARG N N 15 119.289 0.15 . 1 . . . B 404 ARG N . 25130 1 897 . 2 2 67 67 ARG H H 1 7.142 0.015 . 1 . . . B 405 ARG H . 25130 1 898 . 2 2 67 67 ARG HA H 1 4.448 0.015 . 1 . . . B 405 ARG HA . 25130 1 899 . 2 2 67 67 ARG HB2 H 1 1.692 0.015 . 2 . . . B 405 ARG HB2 . 25130 1 900 . 2 2 67 67 ARG HB3 H 1 2.279 0.015 . 2 . . . B 405 ARG HB3 . 25130 1 901 . 2 2 67 67 ARG HG2 H 1 1.571 0.015 . 2 . . . B 405 ARG HG2 . 25130 1 902 . 2 2 67 67 ARG HG3 H 1 1.434 0.015 . 2 . . . B 405 ARG HG3 . 25130 1 903 . 2 2 67 67 ARG HD2 H 1 3.08 0.015 . 2 . . . B 405 ARG HD2 . 25130 1 904 . 2 2 67 67 ARG HD3 H 1 3.08 0.015 . 2 . . . B 405 ARG HD3 . 25130 1 905 . 2 2 67 67 ARG C C 13 176.426 0.15 . 1 . . . B 405 ARG C . 25130 1 906 . 2 2 67 67 ARG CA C 13 53.744 0.15 . 1 . . . B 405 ARG CA . 25130 1 907 . 2 2 67 67 ARG CB C 13 29.08 0.15 . 1 . . . B 405 ARG CB . 25130 1 908 . 2 2 67 67 ARG CG C 13 27.089 0.15 . 1 . . . B 405 ARG CG . 25130 1 909 . 2 2 67 67 ARG CD C 13 42.736 0.15 . 1 . . . B 405 ARG CD . 25130 1 910 . 2 2 67 67 ARG N N 15 112.214 0.15 . 1 . . . B 405 ARG N . 25130 1 911 . 2 2 68 68 PHE H H 1 7.648 0.015 . 1 . . . B 406 PHE H . 25130 1 912 . 2 2 68 68 PHE HA H 1 5.194 0.015 . 1 . . . B 406 PHE HA . 25130 1 913 . 2 2 68 68 PHE HB2 H 1 2.958 0.015 . 2 . . . B 406 PHE HB2 . 25130 1 914 . 2 2 68 68 PHE HB3 H 1 3.403 0.015 . 2 . . . B 406 PHE HB3 . 25130 1 915 . 2 2 68 68 PHE HD1 H 1 7.281 0.015 . 3 . . . B 406 PHE HD1 . 25130 1 916 . 2 2 68 68 PHE HD2 H 1 7.281 0.015 . 3 . . . B 406 PHE HD2 . 25130 1 917 . 2 2 68 68 PHE HE1 H 1 7.039 0.015 . 3 . . . B 406 PHE HE1 . 25130 1 918 . 2 2 68 68 PHE HE2 H 1 7.039 0.015 . 3 . . . B 406 PHE HE2 . 25130 1 919 . 2 2 68 68 PHE C C 13 173.172 0.15 . 1 . . . B 406 PHE C . 25130 1 920 . 2 2 68 68 PHE CA C 13 56.673 0.15 . 1 . . . B 406 PHE CA . 25130 1 921 . 2 2 68 68 PHE CB C 13 38.491 0.15 . 1 . . . B 406 PHE CB . 25130 1 922 . 2 2 68 68 PHE N N 15 123.246 0.15 . 1 . . . B 406 PHE N . 25130 1 923 . 2 2 69 69 LYS H H 1 7.656 0.015 . 1 . . . B 407 LYS H . 25130 1 924 . 2 2 69 69 LYS HA H 1 4.153 0.015 . 1 . . . B 407 LYS HA . 25130 1 925 . 2 2 69 69 LYS HB2 H 1 1.596 0.015 . 2 . . . B 407 LYS HB2 . 25130 1 926 . 2 2 69 69 LYS HB3 H 1 1.596 0.015 . 2 . . . B 407 LYS HB3 . 25130 1 927 . 2 2 69 69 LYS HG2 H 1 1.398 0.015 . 2 . . . B 407 LYS HG2 . 25130 1 928 . 2 2 69 69 LYS HG3 H 1 1.398 0.015 . 2 . . . B 407 LYS HG3 . 25130 1 929 . 2 2 69 69 LYS HD2 H 1 1.561 0.015 . 2 . . . B 407 LYS HD2 . 25130 1 930 . 2 2 69 69 LYS HD3 H 1 1.561 0.015 . 2 . . . B 407 LYS HD3 . 25130 1 931 . 2 2 69 69 LYS C C 13 176.293 0.15 . 1 . . . B 407 LYS C . 25130 1 932 . 2 2 69 69 LYS CA C 13 57.932 0.15 . 1 . . . B 407 LYS CA . 25130 1 933 . 2 2 69 69 LYS CB C 13 32.333 0.15 . 1 . . . B 407 LYS CB . 25130 1 934 . 2 2 69 69 LYS CG C 13 24.762 0.15 . 1 . . . B 407 LYS CG . 25130 1 935 . 2 2 69 69 LYS CD C 13 29.079 0.15 . 1 . . . B 407 LYS CD . 25130 1 936 . 2 2 69 69 LYS N N 15 125.328 0.15 . 1 . . . B 407 LYS N . 25130 1 937 . 2 2 70 70 VAL H H 1 6.306 0.015 . 1 . . . B 408 VAL H . 25130 1 938 . 2 2 70 70 VAL HA H 1 3.526 0.015 . 1 . . . B 408 VAL HA . 25130 1 939 . 2 2 70 70 VAL HB H 1 0.795 0.015 . 1 . . . B 408 VAL HB . 25130 1 940 . 2 2 70 70 VAL HG11 H 1 0.598 0.015 . 2 . . . B 408 VAL HG11 . 25130 1 941 . 2 2 70 70 VAL HG12 H 1 0.598 0.015 . 2 . . . B 408 VAL HG12 . 25130 1 942 . 2 2 70 70 VAL HG13 H 1 0.598 0.015 . 2 . . . B 408 VAL HG13 . 25130 1 943 . 2 2 70 70 VAL HG21 H 1 0.492 0.015 . 2 . . . B 408 VAL HG21 . 25130 1 944 . 2 2 70 70 VAL HG22 H 1 0.492 0.015 . 2 . . . B 408 VAL HG22 . 25130 1 945 . 2 2 70 70 VAL HG23 H 1 0.492 0.015 . 2 . . . B 408 VAL HG23 . 25130 1 946 . 2 2 70 70 VAL C C 13 175.405 0.15 . 1 . . . B 408 VAL C . 25130 1 947 . 2 2 70 70 VAL CA C 13 63.216 0.15 . 1 . . . B 408 VAL CA . 25130 1 948 . 2 2 70 70 VAL CB C 13 31.983 0.15 . 1 . . . B 408 VAL CB . 25130 1 949 . 2 2 70 70 VAL CG1 C 13 20.813 0.15 . 1 . . . B 408 VAL CG1 . 25130 1 950 . 2 2 70 70 VAL CG2 C 13 21.563 0.15 . 1 . . . B 408 VAL CG2 . 25130 1 951 . 2 2 70 70 VAL N N 15 114.872 0.15 . 1 . . . B 408 VAL N . 25130 1 952 . 2 2 71 71 SER H H 1 7.296 0.015 . 1 . . . B 409 SER H . 25130 1 953 . 2 2 71 71 SER HA H 1 4.808 0.015 . 1 . . . B 409 SER HA . 25130 1 954 . 2 2 71 71 SER HB2 H 1 3.769 0.015 . 2 . . . B 409 SER HB2 . 25130 1 955 . 2 2 71 71 SER HB3 H 1 3.83 0.015 . 2 . . . B 409 SER HB3 . 25130 1 956 . 2 2 71 71 SER HG H 1 6.283 0.015 . 1 . . . B 409 SER HG . 25130 1 957 . 2 2 71 71 SER CA C 13 55.678 0.15 . 1 . . . B 409 SER CA . 25130 1 958 . 2 2 71 71 SER CB C 13 64.177 0.15 . 1 . . . B 409 SER CB . 25130 1 959 . 2 2 71 71 SER N N 15 111.447 0.15 . 1 . . . B 409 SER N . 25130 1 960 . 2 2 72 72 GLN HA H 1 3.996 0.015 . 1 . . . B 410 GLN HA . 25130 1 961 . 2 2 72 72 GLN HB2 H 1 2.104 0.015 . 2 . . . B 410 GLN HB2 . 25130 1 962 . 2 2 72 72 GLN HB3 H 1 2.005 0.015 . 2 . . . B 410 GLN HB3 . 25130 1 963 . 2 2 72 72 GLN HG2 H 1 2.356 0.015 . 2 . . . B 410 GLN HG2 . 25130 1 964 . 2 2 72 72 GLN HG3 H 1 2.356 0.015 . 2 . . . B 410 GLN HG3 . 25130 1 965 . 2 2 72 72 GLN HE21 H 1 7.565 0.015 . 2 . . . B 410 GLN HE21 . 25130 1 966 . 2 2 72 72 GLN HE22 H 1 6.658 0.015 . 2 . . . B 410 GLN HE22 . 25130 1 967 . 2 2 72 72 GLN C C 13 177.599 0.15 . 1 . . . B 410 GLN C . 25130 1 968 . 2 2 72 72 GLN CA C 13 58.963 0.15 . 1 . . . B 410 GLN CA . 25130 1 969 . 2 2 72 72 GLN CB C 13 28.084 0.15 . 1 . . . B 410 GLN CB . 25130 1 970 . 2 2 72 72 GLN CG C 13 33.772 0.15 . 1 . . . B 410 GLN CG . 25130 1 971 . 2 2 72 72 GLN NE2 N 15 110.252 0.15 . 1 . . . B 410 GLN NE2 . 25130 1 972 . 2 2 73 73 VAL H H 1 7.685 0.015 . 1 . . . B 411 VAL H . 25130 1 973 . 2 2 73 73 VAL HA H 1 3.822 0.015 . 1 . . . B 411 VAL HA . 25130 1 974 . 2 2 73 73 VAL HB H 1 1.748 0.015 . 1 . . . B 411 VAL HB . 25130 1 975 . 2 2 73 73 VAL HG11 H 1 1.009 0.015 . 2 . . . B 411 VAL HG11 . 25130 1 976 . 2 2 73 73 VAL HG12 H 1 1.009 0.015 . 2 . . . B 411 VAL HG12 . 25130 1 977 . 2 2 73 73 VAL HG13 H 1 1.009 0.015 . 2 . . . B 411 VAL HG13 . 25130 1 978 . 2 2 73 73 VAL HG21 H 1 0.909 0.015 . 2 . . . B 411 VAL HG21 . 25130 1 979 . 2 2 73 73 VAL HG22 H 1 0.909 0.015 . 2 . . . B 411 VAL HG22 . 25130 1 980 . 2 2 73 73 VAL HG23 H 1 0.909 0.015 . 2 . . . B 411 VAL HG23 . 25130 1 981 . 2 2 73 73 VAL C C 13 178.188 0.15 . 1 . . . B 411 VAL C . 25130 1 982 . 2 2 73 73 VAL CA C 13 65.965 0.15 . 1 . . . B 411 VAL CA . 25130 1 983 . 2 2 73 73 VAL CB C 13 31.914 0.15 . 1 . . . B 411 VAL CB . 25130 1 984 . 2 2 73 73 VAL CG1 C 13 22.063 0.15 . 1 . . . B 411 VAL CG1 . 25130 1 985 . 2 2 73 73 VAL CG2 C 13 21.537 0.15 . 1 . . . B 411 VAL CG2 . 25130 1 986 . 2 2 73 73 VAL N N 15 117.859 0.15 . 1 . . . B 411 VAL N . 25130 1 987 . 2 2 74 74 ILE H H 1 7.705 0.015 . 1 . . . B 412 ILE H . 25130 1 988 . 2 2 74 74 ILE HA H 1 3.431 0.015 . 1 . . . B 412 ILE HA . 25130 1 989 . 2 2 74 74 ILE HB H 1 2.105 0.015 . 1 . . . B 412 ILE HB . 25130 1 990 . 2 2 74 74 ILE HG12 H 1 0.895 0.015 . 2 . . . B 412 ILE HG12 . 25130 1 991 . 2 2 74 74 ILE HG13 H 1 1.828 0.015 . 2 . . . B 412 ILE HG13 . 25130 1 992 . 2 2 74 74 ILE HG21 H 1 0.926 0.015 . 1 . . . B 412 ILE HG21 . 25130 1 993 . 2 2 74 74 ILE HG22 H 1 0.926 0.015 . 1 . . . B 412 ILE HG22 . 25130 1 994 . 2 2 74 74 ILE HG23 H 1 0.926 0.015 . 1 . . . B 412 ILE HG23 . 25130 1 995 . 2 2 74 74 ILE HD11 H 1 1.204 0.015 . 1 . . . B 412 ILE HD11 . 25130 1 996 . 2 2 74 74 ILE HD12 H 1 1.204 0.015 . 1 . . . B 412 ILE HD12 . 25130 1 997 . 2 2 74 74 ILE HD13 H 1 1.204 0.015 . 1 . . . B 412 ILE HD13 . 25130 1 998 . 2 2 74 74 ILE C C 13 179.852 0.15 . 1 . . . B 412 ILE C . 25130 1 999 . 2 2 74 74 ILE CA C 13 66.153 0.15 . 1 . . . B 412 ILE CA . 25130 1 1000 . 2 2 74 74 ILE CB C 13 37.613 0.15 . 1 . . . B 412 ILE CB . 25130 1 1001 . 2 2 74 74 ILE CG1 C 13 31.09 0.15 . 1 . . . B 412 ILE CG1 . 25130 1 1002 . 2 2 74 74 ILE CG2 C 13 16.86 0.15 . 1 . . . B 412 ILE CG2 . 25130 1 1003 . 2 2 74 74 ILE CD1 C 13 14.505 0.15 . 1 . . . B 412 ILE CD1 . 25130 1 1004 . 2 2 74 74 ILE N N 15 120.376 0.15 . 1 . . . B 412 ILE N . 25130 1 1005 . 2 2 75 75 MET H H 1 8.256 0.015 . 1 . . . B 413 MET H . 25130 1 1006 . 2 2 75 75 MET HA H 1 3.979 0.015 . 1 . . . B 413 MET HA . 25130 1 1007 . 2 2 75 75 MET HB2 H 1 2.128 0.015 . 2 . . . B 413 MET HB2 . 25130 1 1008 . 2 2 75 75 MET HB3 H 1 2.305 0.015 . 2 . . . B 413 MET HB3 . 25130 1 1009 . 2 2 75 75 MET HG2 H 1 2.861 0.015 . 2 . . . B 413 MET HG2 . 25130 1 1010 . 2 2 75 75 MET HG3 H 1 2.139 0.015 . 2 . . . B 413 MET HG3 . 25130 1 1011 . 2 2 75 75 MET HE1 H 1 1.985 0.015 . 1 . . . B 413 MET HE1 . 25130 1 1012 . 2 2 75 75 MET HE2 H 1 1.985 0.015 . 1 . . . B 413 MET HE2 . 25130 1 1013 . 2 2 75 75 MET HE3 H 1 1.985 0.015 . 1 . . . B 413 MET HE3 . 25130 1 1014 . 2 2 75 75 MET C C 13 178.748 0.15 . 1 . . . B 413 MET C . 25130 1 1015 . 2 2 75 75 MET CA C 13 61.076 0.15 . 1 . . . B 413 MET CA . 25130 1 1016 . 2 2 75 75 MET CB C 13 33.613 0.15 . 1 . . . B 413 MET CB . 25130 1 1017 . 2 2 75 75 MET CG C 13 31.853 0.15 . 1 . . . B 413 MET CG . 25130 1 1018 . 2 2 75 75 MET CE C 13 16.337 0.15 . 1 . . . B 413 MET CE . 25130 1 1019 . 2 2 75 75 MET N N 15 121.437 0.15 . 1 . . . B 413 MET N . 25130 1 1020 . 2 2 76 76 GLU H H 1 8.563 0.015 . 1 . . . B 414 GLU H . 25130 1 1021 . 2 2 76 76 GLU HA H 1 4.003 0.015 . 1 . . . B 414 GLU HA . 25130 1 1022 . 2 2 76 76 GLU HB2 H 1 2.203 0.015 . 2 . . . B 414 GLU HB2 . 25130 1 1023 . 2 2 76 76 GLU HB3 H 1 2.065 0.015 . 2 . . . B 414 GLU HB3 . 25130 1 1024 . 2 2 76 76 GLU HG2 H 1 2.439 0.015 . 2 . . . B 414 GLU HG2 . 25130 1 1025 . 2 2 76 76 GLU HG3 H 1 2.211 0.015 . 2 . . . B 414 GLU HG3 . 25130 1 1026 . 2 2 76 76 GLU C C 13 179.869 0.15 . 1 . . . B 414 GLU C . 25130 1 1027 . 2 2 76 76 GLU CA C 13 59.853 0.15 . 1 . . . B 414 GLU CA . 25130 1 1028 . 2 2 76 76 GLU CB C 13 29.826 0.15 . 1 . . . B 414 GLU CB . 25130 1 1029 . 2 2 76 76 GLU CG C 13 36.417 0.15 . 1 . . . B 414 GLU CG . 25130 1 1030 . 2 2 76 76 GLU N N 15 121.386 0.15 . 1 . . . B 414 GLU N . 25130 1 1031 . 2 2 77 77 LYS H H 1 8.716 0.015 . 1 . . . B 415 LYS H . 25130 1 1032 . 2 2 77 77 LYS HA H 1 4.088 0.015 . 1 . . . B 415 LYS HA . 25130 1 1033 . 2 2 77 77 LYS HB2 H 1 1.718 0.015 . 2 . . . B 415 LYS HB2 . 25130 1 1034 . 2 2 77 77 LYS HB3 H 1 1.718 0.015 . 2 . . . B 415 LYS HB3 . 25130 1 1035 . 2 2 77 77 LYS HG2 H 1 1.529 0.015 . 2 . . . B 415 LYS HG2 . 25130 1 1036 . 2 2 77 77 LYS HG3 H 1 1.529 0.015 . 2 . . . B 415 LYS HG3 . 25130 1 1037 . 2 2 77 77 LYS HD2 H 1 1.294 0.015 . 2 . . . B 415 LYS HD2 . 25130 1 1038 . 2 2 77 77 LYS HD3 H 1 1.294 0.015 . 2 . . . B 415 LYS HD3 . 25130 1 1039 . 2 2 77 77 LYS HE2 H 1 2.939 0.015 . 2 . . . B 415 LYS HE2 . 25130 1 1040 . 2 2 77 77 LYS HE3 H 1 2.798 0.015 . 2 . . . B 415 LYS HE3 . 25130 1 1041 . 2 2 77 77 LYS C C 13 179.547 0.15 . 1 . . . B 415 LYS C . 25130 1 1042 . 2 2 77 77 LYS CA C 13 60.247 0.15 . 1 . . . B 415 LYS CA . 25130 1 1043 . 2 2 77 77 LYS CB C 13 34.169 0.15 . 1 . . . B 415 LYS CB . 25130 1 1044 . 2 2 77 77 LYS CD C 13 29.322 0.15 . 1 . . . B 415 LYS CD . 25130 1 1045 . 2 2 77 77 LYS CE C 13 42.034 0.15 . 1 . . . B 415 LYS CE . 25130 1 1046 . 2 2 77 77 LYS N N 15 120.034 0.15 . 1 . . . B 415 LYS N . 25130 1 1047 . 2 2 78 78 SER H H 1 8.654 0.015 . 1 . . . B 416 SER H . 25130 1 1048 . 2 2 78 78 SER HA H 1 3.931 0.015 . 1 . . . B 416 SER HA . 25130 1 1049 . 2 2 78 78 SER HB2 H 1 3.852 0.015 . 2 . . . B 416 SER HB2 . 25130 1 1050 . 2 2 78 78 SER HB3 H 1 3.675 0.015 . 2 . . . B 416 SER HB3 . 25130 1 1051 . 2 2 78 78 SER C C 13 176.466 0.15 . 1 . . . B 416 SER C . 25130 1 1052 . 2 2 78 78 SER CA C 13 62.715 0.15 . 1 . . . B 416 SER CA . 25130 1 1053 . 2 2 78 78 SER CB C 13 62.749 0.15 . 1 . . . B 416 SER CB . 25130 1 1054 . 2 2 78 78 SER N N 15 113.999 0.15 . 1 . . . B 416 SER N . 25130 1 1055 . 2 2 79 79 THR H H 1 7.878 0.015 . 1 . . . B 417 THR H . 25130 1 1056 . 2 2 79 79 THR HA H 1 4.35 0.015 . 1 . . . B 417 THR HA . 25130 1 1057 . 2 2 79 79 THR HB H 1 3.677 0.015 . 1 . . . B 417 THR HB . 25130 1 1058 . 2 2 79 79 THR HG1 H 1 5.567 0.015 . 1 . . . B 417 THR HG1 . 25130 1 1059 . 2 2 79 79 THR HG21 H 1 1.24 0.015 . 1 . . . B 417 THR HG21 . 25130 1 1060 . 2 2 79 79 THR HG22 H 1 1.24 0.015 . 1 . . . B 417 THR HG22 . 25130 1 1061 . 2 2 79 79 THR HG23 H 1 1.24 0.015 . 1 . . . B 417 THR HG23 . 25130 1 1062 . 2 2 79 79 THR C C 13 175.265 0.15 . 1 . . . B 417 THR C . 25130 1 1063 . 2 2 79 79 THR CA C 13 68.434 0.15 . 1 . . . B 417 THR CA . 25130 1 1064 . 2 2 79 79 THR CB C 13 68.261 0.15 . 1 . . . B 417 THR CB . 25130 1 1065 . 2 2 79 79 THR CG2 C 13 20.856 0.15 . 1 . . . B 417 THR CG2 . 25130 1 1066 . 2 2 79 79 THR N N 15 121.056 0.15 . 1 . . . B 417 THR N . 25130 1 1067 . 2 2 80 80 MET H H 1 7.625 0.015 . 1 . . . B 418 MET H . 25130 1 1068 . 2 2 80 80 MET HA H 1 4.066 0.015 . 1 . . . B 418 MET HA . 25130 1 1069 . 2 2 80 80 MET HB2 H 1 2.175 0.015 . 2 . . . B 418 MET HB2 . 25130 1 1070 . 2 2 80 80 MET HB3 H 1 2.175 0.015 . 2 . . . B 418 MET HB3 . 25130 1 1071 . 2 2 80 80 MET HG2 H 1 2.719 0.015 . 2 . . . B 418 MET HG2 . 25130 1 1072 . 2 2 80 80 MET HG3 H 1 2.487 0.015 . 2 . . . B 418 MET HG3 . 25130 1 1073 . 2 2 80 80 MET HE1 H 1 2.035 0.015 . 1 . . . B 418 MET HE1 . 25130 1 1074 . 2 2 80 80 MET HE2 H 1 2.035 0.015 . 1 . . . B 418 MET HE2 . 25130 1 1075 . 2 2 80 80 MET HE3 H 1 2.035 0.015 . 1 . . . B 418 MET HE3 . 25130 1 1076 . 2 2 80 80 MET C C 13 179.286 0.15 . 1 . . . B 418 MET C . 25130 1 1077 . 2 2 80 80 MET CA C 13 59.11 0.15 . 1 . . . B 418 MET CA . 25130 1 1078 . 2 2 80 80 MET CB C 13 31.921 0.15 . 1 . . . B 418 MET CB . 25130 1 1079 . 2 2 80 80 MET CG C 13 31.894 0.15 . 1 . . . B 418 MET CG . 25130 1 1080 . 2 2 80 80 MET CE C 13 16.882 0.15 . 1 . . . B 418 MET CE . 25130 1 1081 . 2 2 80 80 MET N N 15 120.461 0.15 . 1 . . . B 418 MET N . 25130 1 1082 . 2 2 81 81 LEU H H 1 7.907 0.015 . 1 . . . B 419 LEU H . 25130 1 1083 . 2 2 81 81 LEU HA H 1 3.763 0.015 . 1 . . . B 419 LEU HA . 25130 1 1084 . 2 2 81 81 LEU HB2 H 1 1.811 0.015 . 2 . . . B 419 LEU HB2 . 25130 1 1085 . 2 2 81 81 LEU HB3 H 1 1.197 0.015 . 2 . . . B 419 LEU HB3 . 25130 1 1086 . 2 2 81 81 LEU HG H 1 1.826 0.015 . 1 . . . B 419 LEU HG . 25130 1 1087 . 2 2 81 81 LEU HD11 H 1 0.905 0.015 . 2 . . . B 419 LEU HD11 . 25130 1 1088 . 2 2 81 81 LEU HD12 H 1 0.905 0.015 . 2 . . . B 419 LEU HD12 . 25130 1 1089 . 2 2 81 81 LEU HD13 H 1 0.905 0.015 . 2 . . . B 419 LEU HD13 . 25130 1 1090 . 2 2 81 81 LEU HD21 H 1 0.693 0.015 . 2 . . . B 419 LEU HD21 . 25130 1 1091 . 2 2 81 81 LEU HD22 H 1 0.693 0.015 . 2 . . . B 419 LEU HD22 . 25130 1 1092 . 2 2 81 81 LEU HD23 H 1 0.693 0.015 . 2 . . . B 419 LEU HD23 . 25130 1 1093 . 2 2 81 81 LEU C C 13 177.274 0.15 . 1 . . . B 419 LEU C . 25130 1 1094 . 2 2 81 81 LEU CA C 13 57.566 0.15 . 1 . . . B 419 LEU CA . 25130 1 1095 . 2 2 81 81 LEU CB C 13 43.264 0.15 . 1 . . . B 419 LEU CB . 25130 1 1096 . 2 2 81 81 LEU CG C 13 26.965 0.15 . 1 . . . B 419 LEU CG . 25130 1 1097 . 2 2 81 81 LEU CD1 C 13 26.968 0.15 . 1 . . . B 419 LEU CD1 . 25130 1 1098 . 2 2 81 81 LEU CD2 C 13 22.56 0.15 . 1 . . . B 419 LEU CD2 . 25130 1 1099 . 2 2 81 81 LEU N N 15 120.264 0.15 . 1 . . . B 419 LEU N . 25130 1 1100 . 2 2 82 82 TYR H H 1 8.99 0.015 . 1 . . . B 420 TYR H . 25130 1 1101 . 2 2 82 82 TYR HA H 1 3.876 0.015 . 1 . . . B 420 TYR HA . 25130 1 1102 . 2 2 82 82 TYR HB2 H 1 2.9 0.015 . 2 . . . B 420 TYR HB2 . 25130 1 1103 . 2 2 82 82 TYR HB3 H 1 2.9 0.015 . 2 . . . B 420 TYR HB3 . 25130 1 1104 . 2 2 82 82 TYR HD1 H 1 7.031 0.015 . 3 . . . B 420 TYR HD1 . 25130 1 1105 . 2 2 82 82 TYR HD2 H 1 7.031 0.015 . 3 . . . B 420 TYR HD2 . 25130 1 1106 . 2 2 82 82 TYR HE1 H 1 6.675 0.015 . 3 . . . B 420 TYR HE1 . 25130 1 1107 . 2 2 82 82 TYR HE2 H 1 6.675 0.015 . 3 . . . B 420 TYR HE2 . 25130 1 1108 . 2 2 82 82 TYR C C 13 176.357 0.15 . 1 . . . B 420 TYR C . 25130 1 1109 . 2 2 82 82 TYR CA C 13 62.527 0.15 . 1 . . . B 420 TYR CA . 25130 1 1110 . 2 2 82 82 TYR CB C 13 38.329 0.15 . 1 . . . B 420 TYR CB . 25130 1 1111 . 2 2 82 82 TYR CE2 C 13 118.464 0.15 . 1 . . . B 420 TYR CE2 . 25130 1 1112 . 2 2 82 82 TYR N N 15 120.197 0.15 . 1 . . . B 420 TYR N . 25130 1 1113 . 2 2 83 83 ASN H H 1 8.016 0.015 . 1 . . . B 421 ASN H . 25130 1 1114 . 2 2 83 83 ASN HA H 1 4.025 0.015 . 1 . . . B 421 ASN HA . 25130 1 1115 . 2 2 83 83 ASN HB2 H 1 2.81 0.015 . 2 . . . B 421 ASN HB2 . 25130 1 1116 . 2 2 83 83 ASN HB3 H 1 2.663 0.015 . 2 . . . B 421 ASN HB3 . 25130 1 1117 . 2 2 83 83 ASN HD21 H 1 7.515 0.015 . 2 . . . B 421 ASN HD21 . 25130 1 1118 . 2 2 83 83 ASN HD22 H 1 6.865 0.015 . 2 . . . B 421 ASN HD22 . 25130 1 1119 . 2 2 83 83 ASN C C 13 177.089 0.15 . 1 . . . B 421 ASN C . 25130 1 1120 . 2 2 83 83 ASN CA C 13 55.475 0.15 . 1 . . . B 421 ASN CA . 25130 1 1121 . 2 2 83 83 ASN CB C 13 37.431 0.15 . 1 . . . B 421 ASN CB . 25130 1 1122 . 2 2 83 83 ASN N N 15 114.954 0.15 . 1 . . . B 421 ASN N . 25130 1 1123 . 2 2 83 83 ASN ND2 N 15 111.558 0.15 . 1 . . . B 421 ASN ND2 . 25130 1 1124 . 2 2 84 84 LYS H H 1 7.514 0.015 . 1 . . . B 422 LYS H . 25130 1 1125 . 2 2 84 84 LYS HA H 1 3.859 0.015 . 1 . . . B 422 LYS HA . 25130 1 1126 . 2 2 84 84 LYS HB2 H 1 1.59 0.015 . 2 . . . B 422 LYS HB2 . 25130 1 1127 . 2 2 84 84 LYS HB3 H 1 1.491 0.015 . 2 . . . B 422 LYS HB3 . 25130 1 1128 . 2 2 84 84 LYS HG2 H 1 1.219 0.015 . 2 . . . B 422 LYS HG2 . 25130 1 1129 . 2 2 84 84 LYS HG3 H 1 0.859 0.015 . 2 . . . B 422 LYS HG3 . 25130 1 1130 . 2 2 84 84 LYS HD2 H 1 1.403 0.015 . 2 . . . B 422 LYS HD2 . 25130 1 1131 . 2 2 84 84 LYS HD3 H 1 1.243 0.015 . 2 . . . B 422 LYS HD3 . 25130 1 1132 . 2 2 84 84 LYS HE2 H 1 2.76 0.015 . 2 . . . B 422 LYS HE2 . 25130 1 1133 . 2 2 84 84 LYS HE3 H 1 2.76 0.015 . 2 . . . B 422 LYS HE3 . 25130 1 1134 . 2 2 84 84 LYS C C 13 178.261 0.15 . 1 . . . B 422 LYS C . 25130 1 1135 . 2 2 84 84 LYS CA C 13 58.829 0.15 . 1 . . . B 422 LYS CA . 25130 1 1136 . 2 2 84 84 LYS CB C 13 32.45 0.15 . 1 . . . B 422 LYS CB . 25130 1 1137 . 2 2 84 84 LYS CG C 13 24.823 0.15 . 1 . . . B 422 LYS CG . 25130 1 1138 . 2 2 84 84 LYS CD C 13 29.754 0.15 . 1 . . . B 422 LYS CD . 25130 1 1139 . 2 2 84 84 LYS CE C 13 41.974 0.15 . 1 . . . B 422 LYS CE . 25130 1 1140 . 2 2 84 84 LYS N N 15 119.761 0.15 . 1 . . . B 422 LYS N . 25130 1 1141 . 2 2 85 85 PHE H H 1 7.599 0.015 . 1 . . . B 423 PHE H . 25130 1 1142 . 2 2 85 85 PHE HA H 1 4.52 0.015 . 1 . . . B 423 PHE HA . 25130 1 1143 . 2 2 85 85 PHE HB2 H 1 3.081 0.015 . 2 . . . B 423 PHE HB2 . 25130 1 1144 . 2 2 85 85 PHE HB3 H 1 2.596 0.015 . 2 . . . B 423 PHE HB3 . 25130 1 1145 . 2 2 85 85 PHE HD1 H 1 6.994 0.015 . 3 . . . B 423 PHE HD1 . 25130 1 1146 . 2 2 85 85 PHE HD2 H 1 6.994 0.015 . 3 . . . B 423 PHE HD2 . 25130 1 1147 . 2 2 85 85 PHE HE1 H 1 7.008 0.015 . 3 . . . B 423 PHE HE1 . 25130 1 1148 . 2 2 85 85 PHE HE2 H 1 7.008 0.015 . 3 . . . B 423 PHE HE2 . 25130 1 1149 . 2 2 85 85 PHE HZ H 1 7.009 0.015 . 1 . . . B 423 PHE HZ . 25130 1 1150 . 2 2 85 85 PHE C C 13 176.568 0.15 . 1 . . . B 423 PHE C . 25130 1 1151 . 2 2 85 85 PHE CA C 13 57.996 0.15 . 1 . . . B 423 PHE CA . 25130 1 1152 . 2 2 85 85 PHE CB C 13 39.463 0.15 . 1 . . . B 423 PHE CB . 25130 1 1153 . 2 2 85 85 PHE N N 15 115.517 0.15 . 1 . . . B 423 PHE N . 25130 1 1154 . 2 2 86 86 LYS H H 1 7.868 0.015 . 1 . . . B 424 LYS H . 25130 1 1155 . 2 2 86 86 LYS HA H 1 3.913 0.015 . 1 . . . B 424 LYS HA . 25130 1 1156 . 2 2 86 86 LYS HB2 H 1 1.34 0.015 . 2 . . . B 424 LYS HB2 . 25130 1 1157 . 2 2 86 86 LYS HB3 H 1 1.223 0.015 . 2 . . . B 424 LYS HB3 . 25130 1 1158 . 2 2 86 86 LYS HG2 H 1 1.136 0.015 . 2 . . . B 424 LYS HG2 . 25130 1 1159 . 2 2 86 86 LYS HG3 H 1 0.943 0.015 . 2 . . . B 424 LYS HG3 . 25130 1 1160 . 2 2 86 86 LYS HD2 H 1 1.406 0.015 . 2 . . . B 424 LYS HD2 . 25130 1 1161 . 2 2 86 86 LYS HD3 H 1 1.311 0.015 . 2 . . . B 424 LYS HD3 . 25130 1 1162 . 2 2 86 86 LYS HE2 H 1 2.867 0.015 . 2 . . . B 424 LYS HE2 . 25130 1 1163 . 2 2 86 86 LYS HE3 H 1 2.867 0.015 . 2 . . . B 424 LYS HE3 . 25130 1 1164 . 2 2 86 86 LYS C C 13 176.057 0.15 . 1 . . . B 424 LYS C . 25130 1 1165 . 2 2 86 86 LYS CA C 13 56.956 0.15 . 1 . . . B 424 LYS CA . 25130 1 1166 . 2 2 86 86 LYS CB C 13 31.34 0.15 . 1 . . . B 424 LYS CB . 25130 1 1167 . 2 2 86 86 LYS CG C 13 23.364 0.15 . 1 . . . B 424 LYS CG . 25130 1 1168 . 2 2 86 86 LYS CD C 13 28.175 0.15 . 1 . . . B 424 LYS CD . 25130 1 1169 . 2 2 86 86 LYS CE C 13 42.005 0.15 . 1 . . . B 424 LYS CE . 25130 1 1170 . 2 2 86 86 LYS N N 15 118.093 0.15 . 1 . . . B 424 LYS N . 25130 1 1171 . 2 2 87 87 ASN H H 1 7.743 0.015 . 1 . . . B 425 ASN H . 25130 1 1172 . 2 2 87 87 ASN HA H 1 4.676 0.015 . 1 . . . B 425 ASN HA . 25130 1 1173 . 2 2 87 87 ASN HB2 H 1 2.818 0.015 . 2 . . . B 425 ASN HB2 . 25130 1 1174 . 2 2 87 87 ASN HB3 H 1 2.584 0.015 . 2 . . . B 425 ASN HB3 . 25130 1 1175 . 2 2 87 87 ASN HD21 H 1 7.491 0.015 . 2 . . . B 425 ASN HD21 . 25130 1 1176 . 2 2 87 87 ASN HD22 H 1 6.778 0.015 . 2 . . . B 425 ASN HD22 . 25130 1 1177 . 2 2 87 87 ASN C C 13 174.065 0.15 . 1 . . . B 425 ASN C . 25130 1 1178 . 2 2 87 87 ASN CA C 13 53.106 0.15 . 1 . . . B 425 ASN CA . 25130 1 1179 . 2 2 87 87 ASN CB C 13 38.903 0.15 . 1 . . . B 425 ASN CB . 25130 1 1180 . 2 2 87 87 ASN N N 15 117.813 0.15 . 1 . . . B 425 ASN N . 25130 1 1181 . 2 2 87 87 ASN ND2 N 15 112.859 0.15 . 1 . . . B 425 ASN ND2 . 25130 1 1182 . 2 2 88 88 MET H H 1 7.467 0.015 . 1 . . . B 426 MET H . 25130 1 1183 . 2 2 88 88 MET HA H 1 4.077 0.015 . 1 . . . B 426 MET HA . 25130 1 1184 . 2 2 88 88 MET HB2 H 1 2.001 0.015 . 2 . . . B 426 MET HB2 . 25130 1 1185 . 2 2 88 88 MET HB3 H 1 1.884 0.015 . 2 . . . B 426 MET HB3 . 25130 1 1186 . 2 2 88 88 MET HG2 H 1 2.532 0.015 . 2 . . . B 426 MET HG2 . 25130 1 1187 . 2 2 88 88 MET HG3 H 1 2.426 0.015 . 2 . . . B 426 MET HG3 . 25130 1 1188 . 2 2 88 88 MET HE1 H 1 1.927 0.015 . 1 . . . B 426 MET HE1 . 25130 1 1189 . 2 2 88 88 MET HE2 H 1 1.927 0.015 . 1 . . . B 426 MET HE2 . 25130 1 1190 . 2 2 88 88 MET HE3 H 1 1.927 0.015 . 1 . . . B 426 MET HE3 . 25130 1 1191 . 2 2 88 88 MET CA C 13 57.765 0.15 . 1 . . . B 426 MET CA . 25130 1 1192 . 2 2 88 88 MET CB C 13 33.815 0.15 . 1 . . . B 426 MET CB . 25130 1 1193 . 2 2 88 88 MET CG C 13 32.505 0.15 . 1 . . . B 426 MET CG . 25130 1 1194 . 2 2 88 88 MET CE C 13 17.015 0.15 . 1 . . . B 426 MET CE . 25130 1 1195 . 2 2 88 88 MET N N 15 124.976 0.15 . 1 . . . B 426 MET N . 25130 1 stop_ save_