data_18314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18314 _Entry.Title ; NMR structure of FOXO3a transactivation domains (CR2C-CR3) in complex with CBP KIX domain (2b3l conformation) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-06 _Entry.Accession_date 2012-03-06 _Entry.Last_release_date 2012-05-08 _Entry.Original_release_date 2012-05-08 _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 Feng Wang . . . 18314 2 Christopher Marshall . B. . 18314 3 Kazuo Yamamoto . . . 18314 4 Guang-Yao Li . . . 18314 5 Genevieve Gasmi-Seabrook . 'M. C.' . 18314 6 Hitoshi Okada . . . 18314 7 Tak Mak . W. . 18314 8 Mitsuhiko Ikura . . . 18314 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' . 18314 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'intrinsic disorder' . 18314 'NMR solution structure' . 18314 'promiscuous binding' . 18314 transcription . 18314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 18314 '15N chemical shifts' 124 18314 '1H chemical shifts' 860 18314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-08 2012-03-06 original author . 18314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18315 'FOXO3a transactivation domains (CR2C-CR3)' 18314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22474372 _Citation.Full_citation . _Citation.Title 'Structures of KIX domain of CBP in complex with two FOXO3a transactivation domains reveal promiscuity and plasticity in coactivator recruitment.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6078 _Citation.Page_last 6083 _Citation.Year 2012 _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 Feng Wang . . . 18314 1 2 Christopher Marshall . B. . 18314 1 3 Kazuo Yamamoto . . . 18314 1 4 Guang-Yao Li . . . 18314 1 5 Genevieve Gasmi-Seabrook . M.C. . 18314 1 6 Hitoshi Okada . . . 18314 1 7 Tak Mak . W. . 18314 1 8 Mitsuhiko Ikura . . . 18314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18314 _Assembly.ID 1 _Assembly.Name FOXO3a _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 FOXO3a 1 $FOXO3a A . yes native no no . . . 18314 1 2 KIX 2 $KIX B . yes native no no . . . 18314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FOXO3a _Entity.Sf_category entity _Entity.Sf_framecode FOXO3a _Entity.Entry_ID 18314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GVRKGWHEHVTQDLRSHLVH KLVQAIFPTPDPAALKDRRM ENLVAYAKKVEGDMYESANS RDEYYHLLAEKIYKIQKELE EKRRSRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-87 _Entity.Polymer_author_seq_details 'Mouse CBP G586-L672' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'KIX domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10353.954 _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 BMRB 16851 . KIX . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 2 no BMRB 18315 . KIX . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 3 no BMRB 18694 . KIX_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 4 no BMRB 18695 . KIX_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 5 no PDB 1KDX . "Kix Domain Of Mouse Cbp (Creb Binding Protein) In Complex With Phosphorylated Kinase Inducible Domain (Pkid) Of Rat Creb (Cycli" . . . . . 91.95 81 100.00 100.00 1.80e-50 . . . . 18314 1 6 no PDB 1SB0 . "Solution Structure Of The Kix Domain Of Cbp Bound To The Transactivation Domain Of C-Myb" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 7 no PDB 2AGH . "Structural Basis For Cooperative Transcription Factor Binding To The Cbp Coactivator" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 8 no PDB 2KWF . "The Structure Of E-Protein Activation Domain 1 Bound To The Kix Domain Of CbpP300 ELUCIDATES LEUKEMIA INDUCTION BY E2A-Pbx1" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 9 no PDB 2LQH . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2b3l Conformation)" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 10 no PDB 2LQI . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2l3b Conformation)" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 11 no PDB 2LXS . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 12 no PDB 2LXT . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18314 1 13 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 100.00 2404 100.00 100.00 4.26e-51 . . . . 18314 1 14 no DBJ BAG65526 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1198 100.00 100.00 2.02e-50 . . . . 18314 1 15 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18314 1 16 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 98.85 100.00 9.48e-51 . . . . 18314 1 17 no GB AAC08447 . "CBP [Homo sapiens]" . . . . . 100.00 555 100.00 100.00 7.56e-55 . . . . 18314 1 18 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18314 1 19 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18314 1 20 no GB AAH72594 . "Crebbp protein, partial [Mus musculus]" . . . . . 100.00 1589 100.00 100.00 1.76e-51 . . . . 18314 1 21 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 97.70 98.85 1.20e-49 . . . . 18314 1 22 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 100.00 100.00 4.59e-51 . . . . 18314 1 23 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 100.00 2404 100.00 100.00 4.26e-51 . . . . 18314 1 24 no REF NP_001157494 . "CREB-binding protein [Bos taurus]" . . . . . 100.00 2435 98.85 98.85 2.85e-50 . . . . 18314 1 25 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 100.00 100.00 4.17e-51 . . . . 18314 1 26 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18314 1 27 no SP P45481 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2441 100.00 100.00 4.59e-51 . . . . 18314 1 28 no SP Q6JHU9 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.17e-51 . . . . 18314 1 29 no SP Q92793 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18314 1 30 no TPG DAA15549 . "TPA: CREB binding protein [Bos taurus]" . . . . . 100.00 2435 98.85 98.85 2.85e-50 . . . . 18314 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 1 GLY . 18314 1 2 2 VAL . 18314 1 3 3 ARG . 18314 1 4 4 LYS . 18314 1 5 5 GLY . 18314 1 6 6 TRP . 18314 1 7 7 HIS . 18314 1 8 8 GLU . 18314 1 9 9 HIS . 18314 1 10 10 VAL . 18314 1 11 11 THR . 18314 1 12 12 GLN . 18314 1 13 13 ASP . 18314 1 14 14 LEU . 18314 1 15 15 ARG . 18314 1 16 16 SER . 18314 1 17 17 HIS . 18314 1 18 18 LEU . 18314 1 19 19 VAL . 18314 1 20 20 HIS . 18314 1 21 21 LYS . 18314 1 22 22 LEU . 18314 1 23 23 VAL . 18314 1 24 24 GLN . 18314 1 25 25 ALA . 18314 1 26 26 ILE . 18314 1 27 27 PHE . 18314 1 28 28 PRO . 18314 1 29 29 THR . 18314 1 30 30 PRO . 18314 1 31 31 ASP . 18314 1 32 32 PRO . 18314 1 33 33 ALA . 18314 1 34 34 ALA . 18314 1 35 35 LEU . 18314 1 36 36 LYS . 18314 1 37 37 ASP . 18314 1 38 38 ARG . 18314 1 39 39 ARG . 18314 1 40 40 MET . 18314 1 41 41 GLU . 18314 1 42 42 ASN . 18314 1 43 43 LEU . 18314 1 44 44 VAL . 18314 1 45 45 ALA . 18314 1 46 46 TYR . 18314 1 47 47 ALA . 18314 1 48 48 LYS . 18314 1 49 49 LYS . 18314 1 50 50 VAL . 18314 1 51 51 GLU . 18314 1 52 52 GLY . 18314 1 53 53 ASP . 18314 1 54 54 MET . 18314 1 55 55 TYR . 18314 1 56 56 GLU . 18314 1 57 57 SER . 18314 1 58 58 ALA . 18314 1 59 59 ASN . 18314 1 60 60 SER . 18314 1 61 61 ARG . 18314 1 62 62 ASP . 18314 1 63 63 GLU . 18314 1 64 64 TYR . 18314 1 65 65 TYR . 18314 1 66 66 HIS . 18314 1 67 67 LEU . 18314 1 68 68 LEU . 18314 1 69 69 ALA . 18314 1 70 70 GLU . 18314 1 71 71 LYS . 18314 1 72 72 ILE . 18314 1 73 73 TYR . 18314 1 74 74 LYS . 18314 1 75 75 ILE . 18314 1 76 76 GLN . 18314 1 77 77 LYS . 18314 1 78 78 GLU . 18314 1 79 79 LEU . 18314 1 80 80 GLU . 18314 1 81 81 GLU . 18314 1 82 82 LYS . 18314 1 83 83 ARG . 18314 1 84 84 ARG . 18314 1 85 85 SER . 18314 1 86 86 ARG . 18314 1 87 87 LEU . 18314 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 18314 1 . VAL 2 2 18314 1 . ARG 3 3 18314 1 . LYS 4 4 18314 1 . GLY 5 5 18314 1 . TRP 6 6 18314 1 . HIS 7 7 18314 1 . GLU 8 8 18314 1 . HIS 9 9 18314 1 . VAL 10 10 18314 1 . THR 11 11 18314 1 . GLN 12 12 18314 1 . ASP 13 13 18314 1 . LEU 14 14 18314 1 . ARG 15 15 18314 1 . SER 16 16 18314 1 . HIS 17 17 18314 1 . LEU 18 18 18314 1 . VAL 19 19 18314 1 . HIS 20 20 18314 1 . LYS 21 21 18314 1 . LEU 22 22 18314 1 . VAL 23 23 18314 1 . GLN 24 24 18314 1 . ALA 25 25 18314 1 . ILE 26 26 18314 1 . PHE 27 27 18314 1 . PRO 28 28 18314 1 . THR 29 29 18314 1 . PRO 30 30 18314 1 . ASP 31 31 18314 1 . PRO 32 32 18314 1 . ALA 33 33 18314 1 . ALA 34 34 18314 1 . LEU 35 35 18314 1 . LYS 36 36 18314 1 . ASP 37 37 18314 1 . ARG 38 38 18314 1 . ARG 39 39 18314 1 . MET 40 40 18314 1 . GLU 41 41 18314 1 . ASN 42 42 18314 1 . LEU 43 43 18314 1 . VAL 44 44 18314 1 . ALA 45 45 18314 1 . TYR 46 46 18314 1 . ALA 47 47 18314 1 . LYS 48 48 18314 1 . LYS 49 49 18314 1 . VAL 50 50 18314 1 . GLU 51 51 18314 1 . GLY 52 52 18314 1 . ASP 53 53 18314 1 . MET 54 54 18314 1 . TYR 55 55 18314 1 . GLU 56 56 18314 1 . SER 57 57 18314 1 . ALA 58 58 18314 1 . ASN 59 59 18314 1 . SER 60 60 18314 1 . ARG 61 61 18314 1 . ASP 62 62 18314 1 . GLU 63 63 18314 1 . TYR 64 64 18314 1 . TYR 65 65 18314 1 . HIS 66 66 18314 1 . LEU 67 67 18314 1 . LEU 68 68 18314 1 . ALA 69 69 18314 1 . GLU 70 70 18314 1 . LYS 71 71 18314 1 . ILE 72 72 18314 1 . TYR 73 73 18314 1 . LYS 74 74 18314 1 . ILE 75 75 18314 1 . GLN 76 76 18314 1 . LYS 77 77 18314 1 . GLU 78 78 18314 1 . LEU 79 79 18314 1 . GLU 80 80 18314 1 . GLU 81 81 18314 1 . LYS 82 82 18314 1 . ARG 83 83 18314 1 . ARG 84 84 18314 1 . SER 85 85 18314 1 . ARG 86 86 18314 1 . LEU 87 87 18314 1 stop_ save_ save_KIX _Entity.Sf_category entity _Entity.Sf_framecode KIX _Entity.Entry_ID 18314 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GSMSHYGNQTLQDLLTSDSL SHSDGGGSGGGSGGGSLECD MESIIRSELMDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 101-152 _Entity.Polymer_author_seq_details ; GS: from expression vector. MSHYGNQTLQDLLTSDSLSHSD (FOXO3a CR2C M462-D483). GGGSGGGSGGGS (linker ). LECDMESIIRSELMDA (FOXO3a CR3 L620-A635). ; _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 52 _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 5208.538 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 18315 . CR2C-CR3 . . . . . 100.00 52 100.00 100.00 3.95e-25 . . . . 18314 2 2 no PDB 2LQH . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2b3l Conformation)" . . . . . 100.00 52 100.00 100.00 3.95e-25 . . . . 18314 2 3 no PDB 2LQI . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2l3b Conformation)" . . . . . 100.00 52 100.00 100.00 3.95e-25 . . . . 18314 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 1 101 GLY . 18314 2 2 102 SER . 18314 2 3 103 MET . 18314 2 4 104 SER . 18314 2 5 105 HIS . 18314 2 6 106 TYR . 18314 2 7 107 GLY . 18314 2 8 108 ASN . 18314 2 9 109 GLN . 18314 2 10 110 THR . 18314 2 11 111 LEU . 18314 2 12 112 GLN . 18314 2 13 113 ASP . 18314 2 14 114 LEU . 18314 2 15 115 LEU . 18314 2 16 116 THR . 18314 2 17 117 SER . 18314 2 18 118 ASP . 18314 2 19 119 SER . 18314 2 20 120 LEU . 18314 2 21 121 SER . 18314 2 22 122 HIS . 18314 2 23 123 SER . 18314 2 24 124 ASP . 18314 2 25 125 GLY . 18314 2 26 126 GLY . 18314 2 27 127 GLY . 18314 2 28 128 SER . 18314 2 29 129 GLY . 18314 2 30 130 GLY . 18314 2 31 131 GLY . 18314 2 32 132 SER . 18314 2 33 133 GLY . 18314 2 34 134 GLY . 18314 2 35 135 GLY . 18314 2 36 136 SER . 18314 2 37 137 LEU . 18314 2 38 138 GLU . 18314 2 39 139 CYS . 18314 2 40 140 ASP . 18314 2 41 141 MET . 18314 2 42 142 GLU . 18314 2 43 143 SER . 18314 2 44 144 ILE . 18314 2 45 145 ILE . 18314 2 46 146 ARG . 18314 2 47 147 SER . 18314 2 48 148 GLU . 18314 2 49 149 LEU . 18314 2 50 150 MET . 18314 2 51 151 ASP . 18314 2 52 152 ALA . 18314 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 . GLY 1 1 18314 2 . SER 2 2 18314 2 . MET 3 3 18314 2 . SER 4 4 18314 2 . HIS 5 5 18314 2 . TYR 6 6 18314 2 . GLY 7 7 18314 2 . ASN 8 8 18314 2 . GLN 9 9 18314 2 . THR 10 10 18314 2 . LEU 11 11 18314 2 . GLN 12 12 18314 2 . ASP 13 13 18314 2 . LEU 14 14 18314 2 . LEU 15 15 18314 2 . THR 16 16 18314 2 . SER 17 17 18314 2 . ASP 18 18 18314 2 . SER 19 19 18314 2 . LEU 20 20 18314 2 . SER 21 21 18314 2 . HIS 22 22 18314 2 . SER 23 23 18314 2 . ASP 24 24 18314 2 . GLY 25 25 18314 2 . GLY 26 26 18314 2 . GLY 27 27 18314 2 . SER 28 28 18314 2 . GLY 29 29 18314 2 . GLY 30 30 18314 2 . GLY 31 31 18314 2 . SER 32 32 18314 2 . GLY 33 33 18314 2 . GLY 34 34 18314 2 . GLY 35 35 18314 2 . SER 36 36 18314 2 . LEU 37 37 18314 2 . GLU 38 38 18314 2 . CYS 39 39 18314 2 . ASP 40 40 18314 2 . MET 41 41 18314 2 . GLU 42 42 18314 2 . SER 43 43 18314 2 . ILE 44 44 18314 2 . ILE 45 45 18314 2 . ARG 46 46 18314 2 . SER 47 47 18314 2 . GLU 48 48 18314 2 . LEU 49 49 18314 2 . MET 50 50 18314 2 . ASP 51 51 18314 2 . ALA 52 52 18314 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 18314 _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 $FOXO3a . 10090 organism . 'Mus musculus' 'Hosue mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18314 1 2 2 $KIX . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18314 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 18314 _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 $FOXO3a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21b . . . . . . 18314 1 2 2 $KIX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T-1 . . . . . . 18314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18314 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 KIX '[U-100% 13C; U-100% 15N]' . . 2 $KIX . . 0.6 . . mM . . . . 18314 1 2 FOXO3a 'natural abundance' . . 1 $FOXO3a . . 0.6 . . mM . . . . 18314 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18314 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18314 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18314 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18314 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18314 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18314 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 KIX '[U-100% 13C; U-100% 15N]' . . 2 $KIX . . 0.6 . . mM . . . . 18314 2 2 FOXO3a 'natural abundance' . . 1 $FOXO3a . . 0.6 . . mM . . . . 18314 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18314 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18314 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18314 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18314 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18314 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 FOXO3a3 '[U-100% 13C; U-100% 15N]' . . 1 $FOXO3a . . 0.6 . . mM . . . . 18314 3 2 KIX 'natural abundance' . . 2 $KIX . . 0.6 . . mM . . . . 18314 3 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18314 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18314 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18314 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18314 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18314 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18314 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 FOXO3a3 '[U-100% 13C; U-100% 15N]' . . 1 $FOXO3a . . 0.6 . . mM . . . . 18314 4 2 KIX 'natural abundance' . . 2 $KIX . . 0.6 . . mM . . . . 18314 4 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18314 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18314 4 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18314 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18314 4 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 18314 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18314 1 pH 6 . pH 18314 1 pressure 1 . atm 18314 1 temperature 273 . K 18314 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18314 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18314 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18314 _Software.ID 2 _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' . . 18314 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18314 2 'structure solution' 18314 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18314 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18314 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18314 3 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 18314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18314 _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 . 800 . . . 18314 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 18314 _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 . . . . . . . . . . . . . . . . 18314 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 10 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 11 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18314 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 18314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18314 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18314 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18314 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 18314 _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' . . . 18314 1 2 '3D HNCO' . . . 18314 1 6 '2D 1H-13C HSQC' . . . 18314 1 9 '2D 1H-15N HSQC' . . . 18314 1 10 '3D HNCO' . . . 18314 1 14 '2D 1H-13C HSQC' . . . 18314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.924 0.04 . 2 . . . A 1 GLY HA2 . 18314 1 2 . 1 1 1 1 GLY HA3 H 1 3.924 0.04 . 2 . . . A 1 GLY HA3 . 18314 1 3 . 1 1 1 1 GLY C C 13 167.446 0.4 . 1 . . . A 1 GLY C . 18314 1 4 . 1 1 1 1 GLY CA C 13 40.427 0.4 . 1 . . . A 1 GLY CA . 18314 1 5 . 1 1 2 2 VAL H H 1 8.548 0.04 . 1 . . . A 2 VAL H . 18314 1 6 . 1 1 2 2 VAL HA H 1 4.209 0.04 . 1 . . . A 2 VAL HA . 18314 1 7 . 1 1 2 2 VAL HB H 1 2.102 0.04 . 1 . . . A 2 VAL HB . 18314 1 8 . 1 1 2 2 VAL HG11 H 1 0.972 0.04 . 2 . . . A 2 VAL HG11 . 18314 1 9 . 1 1 2 2 VAL HG12 H 1 0.972 0.04 . 2 . . . A 2 VAL HG12 . 18314 1 10 . 1 1 2 2 VAL HG13 H 1 0.972 0.04 . 2 . . . A 2 VAL HG13 . 18314 1 11 . 1 1 2 2 VAL HG21 H 1 0.964 0.04 . 2 . . . A 2 VAL HG21 . 18314 1 12 . 1 1 2 2 VAL HG22 H 1 0.964 0.04 . 2 . . . A 2 VAL HG22 . 18314 1 13 . 1 1 2 2 VAL HG23 H 1 0.964 0.04 . 2 . . . A 2 VAL HG23 . 18314 1 14 . 1 1 2 2 VAL C C 13 173.265 0.4 . 1 . . . A 2 VAL C . 18314 1 15 . 1 1 2 2 VAL CA C 13 59.306 0.4 . 1 . . . A 2 VAL CA . 18314 1 16 . 1 1 2 2 VAL CB C 13 30.293 0.4 . 1 . . . A 2 VAL CB . 18314 1 17 . 1 1 2 2 VAL CG1 C 13 17.765 0.4 . 2 . . . A 2 VAL CG1 . 18314 1 18 . 1 1 2 2 VAL CG2 C 13 17.577 0.4 . 2 . . . A 2 VAL CG2 . 18314 1 19 . 1 1 2 2 VAL N N 15 119.584 0.4 . 1 . . . A 2 VAL N . 18314 1 20 . 1 1 3 3 ARG H H 1 8.544 0.04 . 1 . . . A 3 ARG H . 18314 1 21 . 1 1 3 3 ARG HA H 1 4.426 0.04 . 1 . . . A 3 ARG HA . 18314 1 22 . 1 1 3 3 ARG HB2 H 1 1.826 0.04 . 2 . . . A 3 ARG HB2 . 18314 1 23 . 1 1 3 3 ARG HB3 H 1 1.826 0.04 . 2 . . . A 3 ARG HB3 . 18314 1 24 . 1 1 3 3 ARG HG2 H 1 1.715 0.04 . 2 . . . A 3 ARG HG2 . 18314 1 25 . 1 1 3 3 ARG HG3 H 1 1.579 0.04 . 2 . . . A 3 ARG HG3 . 18314 1 26 . 1 1 3 3 ARG HD2 H 1 3.222 0.04 . 2 . . . A 3 ARG HD2 . 18314 1 27 . 1 1 3 3 ARG HD3 H 1 3.222 0.04 . 2 . . . A 3 ARG HD3 . 18314 1 28 . 1 1 3 3 ARG C C 13 173.364 0.4 . 1 . . . A 3 ARG C . 18314 1 29 . 1 1 3 3 ARG CA C 13 53.333 0.4 . 1 . . . A 3 ARG CA . 18314 1 30 . 1 1 3 3 ARG CB C 13 28.043 0.4 . 1 . . . A 3 ARG CB . 18314 1 31 . 1 1 3 3 ARG CG C 13 24.262 0.4 . 1 . . . A 3 ARG CG . 18314 1 32 . 1 1 3 3 ARG CD C 13 40.646 0.4 . 1 . . . A 3 ARG CD . 18314 1 33 . 1 1 3 3 ARG N N 15 125.487 0.4 . 1 . . . A 3 ARG N . 18314 1 34 . 1 1 4 4 LYS H H 1 8.078 0.04 . 1 . . . A 4 LYS H . 18314 1 35 . 1 1 4 4 LYS HA H 1 4.322 0.04 . 1 . . . A 4 LYS HA . 18314 1 36 . 1 1 4 4 LYS HB2 H 1 1.298 0.04 . 2 . . . A 4 LYS HB2 . 18314 1 37 . 1 1 4 4 LYS HB3 H 1 0.158 0.04 . 2 . . . A 4 LYS HB3 . 18314 1 38 . 1 1 4 4 LYS HG2 H 1 1.289 0.04 . 2 . . . A 4 LYS HG2 . 18314 1 39 . 1 1 4 4 LYS HG3 H 1 1.198 0.04 . 2 . . . A 4 LYS HG3 . 18314 1 40 . 1 1 4 4 LYS HD2 H 1 1.775 0.04 . 2 . . . A 4 LYS HD2 . 18314 1 41 . 1 1 4 4 LYS HD3 H 1 1.557 0.04 . 2 . . . A 4 LYS HD3 . 18314 1 42 . 1 1 4 4 LYS HE2 H 1 3.041 0.04 . 2 . . . A 4 LYS HE2 . 18314 1 43 . 1 1 4 4 LYS HE3 H 1 3.041 0.04 . 2 . . . A 4 LYS HE3 . 18314 1 44 . 1 1 4 4 LYS C C 13 174.886 0.4 . 1 . . . A 4 LYS C . 18314 1 45 . 1 1 4 4 LYS CA C 13 51.775 0.4 . 1 . . . A 4 LYS CA . 18314 1 46 . 1 1 4 4 LYS CB C 13 30.974 0.4 . 1 . . . A 4 LYS CB . 18314 1 47 . 1 1 4 4 LYS CG C 13 22.716 0.4 . 1 . . . A 4 LYS CG . 18314 1 48 . 1 1 4 4 LYS CD C 13 26.959 0.4 . 1 . . . A 4 LYS CD . 18314 1 49 . 1 1 4 4 LYS CE C 13 39.883 0.4 . 1 . . . A 4 LYS CE . 18314 1 50 . 1 1 4 4 LYS N N 15 122.802 0.4 . 1 . . . A 4 LYS N . 18314 1 51 . 1 1 5 5 GLY H H 1 8.757 0.04 . 1 . . . A 5 GLY H . 18314 1 52 . 1 1 5 5 GLY HA2 H 1 3.754 0.04 . 1 . . . A 5 GLY HA2 . 18314 1 53 . 1 1 5 5 GLY HA3 H 1 3.994 0.04 . 1 . . . A 5 GLY HA3 . 18314 1 54 . 1 1 5 5 GLY C C 13 173.904 0.4 . 1 . . . A 5 GLY C . 18314 1 55 . 1 1 5 5 GLY CA C 13 44.723 0.4 . 1 . . . A 5 GLY CA . 18314 1 56 . 1 1 5 5 GLY N N 15 112.276 0.4 . 1 . . . A 5 GLY N . 18314 1 57 . 1 1 6 6 TRP H H 1 7.96 0.04 . 1 . . . A 6 TRP H . 18314 1 58 . 1 1 6 6 TRP HA H 1 4.554 0.04 . 1 . . . A 6 TRP HA . 18314 1 59 . 1 1 6 6 TRP HB2 H 1 3.684 0.04 . 2 . . . A 6 TRP HB2 . 18314 1 60 . 1 1 6 6 TRP HB3 H 1 3.204 0.04 . 2 . . . A 6 TRP HB3 . 18314 1 61 . 1 1 6 6 TRP HD1 H 1 7.078 0.04 . 1 . . . A 6 TRP HD1 . 18314 1 62 . 1 1 6 6 TRP HE1 H 1 9.166 0.04 . 1 . . . A 6 TRP HE1 . 18314 1 63 . 1 1 6 6 TRP HE3 H 1 7.248 0.04 . 1 . . . A 6 TRP HE3 . 18314 1 64 . 1 1 6 6 TRP HZ2 H 1 7.619 0.04 . 1 . . . A 6 TRP HZ2 . 18314 1 65 . 1 1 6 6 TRP HZ3 H 1 6.442 0.04 . 1 . . . A 6 TRP HZ3 . 18314 1 66 . 1 1 6 6 TRP C C 13 175.181 0.4 . 1 . . . A 6 TRP C . 18314 1 67 . 1 1 6 6 TRP CA C 13 55.224 0.4 . 1 . . . A 6 TRP CA . 18314 1 68 . 1 1 6 6 TRP CB C 13 25.139 0.4 . 1 . . . A 6 TRP CB . 18314 1 69 . 1 1 6 6 TRP N N 15 118.654 0.4 . 1 . . . A 6 TRP N . 18314 1 70 . 1 1 6 6 TRP NE1 N 15 128.93 0.4 . 1 . . . A 6 TRP NE1 . 18314 1 71 . 1 1 7 7 HIS H H 1 6.987 0.04 . 1 . . . A 7 HIS H . 18314 1 72 . 1 1 7 7 HIS HA H 1 3.553 0.04 . 1 . . . A 7 HIS HA . 18314 1 73 . 1 1 7 7 HIS HB2 H 1 2.948 0.04 . 2 . . . A 7 HIS HB2 . 18314 1 74 . 1 1 7 7 HIS HB3 H 1 2.921 0.04 . 2 . . . A 7 HIS HB3 . 18314 1 75 . 1 1 7 7 HIS C C 13 174.217 0.4 . 1 . . . A 7 HIS C . 18314 1 76 . 1 1 7 7 HIS CA C 13 53.862 0.4 . 1 . . . A 7 HIS CA . 18314 1 77 . 1 1 7 7 HIS CB C 13 27.385 0.4 . 1 . . . A 7 HIS CB . 18314 1 78 . 1 1 7 7 HIS N N 15 119.803 0.4 . 1 . . . A 7 HIS N . 18314 1 79 . 1 1 8 8 GLU H H 1 7.632 0.04 . 1 . . . A 8 GLU H . 18314 1 80 . 1 1 8 8 GLU HA H 1 4.012 0.04 . 1 . . . A 8 GLU HA . 18314 1 81 . 1 1 8 8 GLU HB2 H 1 1.85 0.04 . 2 . . . A 8 GLU HB2 . 18314 1 82 . 1 1 8 8 GLU HB3 H 1 1.755 0.04 . 2 . . . A 8 GLU HB3 . 18314 1 83 . 1 1 8 8 GLU HG2 H 1 2.099 0.04 . 2 . . . A 8 GLU HG2 . 18314 1 84 . 1 1 8 8 GLU HG3 H 1 2.099 0.04 . 2 . . . A 8 GLU HG3 . 18314 1 85 . 1 1 8 8 GLU C C 13 174.029 0.4 . 1 . . . A 8 GLU C . 18314 1 86 . 1 1 8 8 GLU CA C 13 55.341 0.4 . 1 . . . A 8 GLU CA . 18314 1 87 . 1 1 8 8 GLU CB C 13 26.724 0.4 . 1 . . . A 8 GLU CB . 18314 1 88 . 1 1 8 8 GLU CG C 13 33.043 0.4 . 1 . . . A 8 GLU CG . 18314 1 89 . 1 1 8 8 GLU N N 15 116.366 0.4 . 1 . . . A 8 GLU N . 18314 1 90 . 1 1 9 9 HIS H H 1 7.566 0.04 . 1 . . . A 9 HIS H . 18314 1 91 . 1 1 9 9 HIS HA H 1 4.914 0.04 . 1 . . . A 9 HIS HA . 18314 1 92 . 1 1 9 9 HIS HB2 H 1 3.653 0.04 . 2 . . . A 9 HIS HB2 . 18314 1 93 . 1 1 9 9 HIS HB3 H 1 3.29 0.04 . 2 . . . A 9 HIS HB3 . 18314 1 94 . 1 1 9 9 HIS HD2 H 1 7.195 0.04 . 1 . . . A 9 HIS HD2 . 18314 1 95 . 1 1 9 9 HIS C C 13 171.776 0.4 . 1 . . . A 9 HIS C . 18314 1 96 . 1 1 9 9 HIS CA C 13 52.45 0.4 . 1 . . . A 9 HIS CA . 18314 1 97 . 1 1 9 9 HIS CB C 13 28.127 0.4 . 1 . . . A 9 HIS CB . 18314 1 98 . 1 1 9 9 HIS N N 15 113.514 0.4 . 1 . . . A 9 HIS N . 18314 1 99 . 1 1 10 10 VAL H H 1 7.546 0.04 . 1 . . . A 10 VAL H . 18314 1 100 . 1 1 10 10 VAL HA H 1 4.578 0.04 . 1 . . . A 10 VAL HA . 18314 1 101 . 1 1 10 10 VAL HB H 1 2.303 0.04 . 1 . . . A 10 VAL HB . 18314 1 102 . 1 1 10 10 VAL HG11 H 1 1.317 0.04 . 2 . . . A 10 VAL HG11 . 18314 1 103 . 1 1 10 10 VAL HG12 H 1 1.317 0.04 . 2 . . . A 10 VAL HG12 . 18314 1 104 . 1 1 10 10 VAL HG13 H 1 1.317 0.04 . 2 . . . A 10 VAL HG13 . 18314 1 105 . 1 1 10 10 VAL HG21 H 1 1.222 0.04 . 2 . . . A 10 VAL HG21 . 18314 1 106 . 1 1 10 10 VAL HG22 H 1 1.222 0.04 . 2 . . . A 10 VAL HG22 . 18314 1 107 . 1 1 10 10 VAL HG23 H 1 1.222 0.04 . 2 . . . A 10 VAL HG23 . 18314 1 108 . 1 1 10 10 VAL C C 13 171.768 0.4 . 1 . . . A 10 VAL C . 18314 1 109 . 1 1 10 10 VAL CA C 13 59.23 0.4 . 1 . . . A 10 VAL CA . 18314 1 110 . 1 1 10 10 VAL CB C 13 30.654 0.4 . 1 . . . A 10 VAL CB . 18314 1 111 . 1 1 10 10 VAL CG1 C 13 18.752 0.4 . 2 . . . A 10 VAL CG1 . 18314 1 112 . 1 1 10 10 VAL CG2 C 13 19.426 0.4 . 2 . . . A 10 VAL CG2 . 18314 1 113 . 1 1 10 10 VAL N N 15 120.591 0.4 . 1 . . . A 10 VAL N . 18314 1 114 . 1 1 11 11 THR H H 1 7.565 0.04 . 1 . . . A 11 THR H . 18314 1 115 . 1 1 11 11 THR HA H 1 4.624 0.04 . 1 . . . A 11 THR HA . 18314 1 116 . 1 1 11 11 THR HB H 1 4.729 0.04 . 1 . . . A 11 THR HB . 18314 1 117 . 1 1 11 11 THR HG21 H 1 1.377 0.04 . 1 . . . A 11 THR HG21 . 18314 1 118 . 1 1 11 11 THR HG22 H 1 1.377 0.04 . 1 . . . A 11 THR HG22 . 18314 1 119 . 1 1 11 11 THR HG23 H 1 1.377 0.04 . 1 . . . A 11 THR HG23 . 18314 1 120 . 1 1 11 11 THR C C 13 172.75 0.4 . 1 . . . A 11 THR C . 18314 1 121 . 1 1 11 11 THR CA C 13 57.381 0.4 . 1 . . . A 11 THR CA . 18314 1 122 . 1 1 11 11 THR CB C 13 68.391 0.4 . 1 . . . A 11 THR CB . 18314 1 123 . 1 1 11 11 THR CG2 C 13 19.229 0.4 . 1 . . . A 11 THR CG2 . 18314 1 124 . 1 1 11 11 THR N N 15 115.204 0.4 . 1 . . . A 11 THR N . 18314 1 125 . 1 1 12 12 GLN H H 1 8.935 0.04 . 1 . . . A 12 GLN H . 18314 1 126 . 1 1 12 12 GLN HA H 1 3.865 0.04 . 1 . . . A 12 GLN HA . 18314 1 127 . 1 1 12 12 GLN HB2 H 1 2.157 0.04 . 2 . . . A 12 GLN HB2 . 18314 1 128 . 1 1 12 12 GLN HB3 H 1 2.09 0.04 . 2 . . . A 12 GLN HB3 . 18314 1 129 . 1 1 12 12 GLN HG2 H 1 2.428 0.04 . 2 . . . A 12 GLN HG2 . 18314 1 130 . 1 1 12 12 GLN HG3 H 1 2.428 0.04 . 2 . . . A 12 GLN HG3 . 18314 1 131 . 1 1 12 12 GLN HE21 H 1 6.704 0.04 . 2 . . . A 12 GLN HE21 . 18314 1 132 . 1 1 12 12 GLN HE22 H 1 7.414 0.04 . 2 . . . A 12 GLN HE22 . 18314 1 133 . 1 1 12 12 GLN C C 13 175.328 0.4 . 1 . . . A 12 GLN C . 18314 1 134 . 1 1 12 12 GLN CA C 13 56.052 0.4 . 1 . . . A 12 GLN CA . 18314 1 135 . 1 1 12 12 GLN CB C 13 25.333 0.4 . 1 . . . A 12 GLN CB . 18314 1 136 . 1 1 12 12 GLN CG C 13 30.828 0.4 . 1 . . . A 12 GLN CG . 18314 1 137 . 1 1 12 12 GLN N N 15 120.246 0.4 . 1 . . . A 12 GLN N . 18314 1 138 . 1 1 12 12 GLN NE2 N 15 112.525 0.4 . 1 . . . A 12 GLN NE2 . 18314 1 139 . 1 1 13 13 ASP H H 1 8.422 0.04 . 1 . . . A 13 ASP H . 18314 1 140 . 1 1 13 13 ASP HA H 1 4.379 0.04 . 1 . . . A 13 ASP HA . 18314 1 141 . 1 1 13 13 ASP HB2 H 1 2.655 0.04 . 2 . . . A 13 ASP HB2 . 18314 1 142 . 1 1 13 13 ASP HB3 H 1 2.618 0.04 . 2 . . . A 13 ASP HB3 . 18314 1 143 . 1 1 13 13 ASP C C 13 175.696 0.4 . 1 . . . A 13 ASP C . 18314 1 144 . 1 1 13 13 ASP CA C 13 54.399 0.4 . 1 . . . A 13 ASP CA . 18314 1 145 . 1 1 13 13 ASP CB C 13 37.521 0.4 . 1 . . . A 13 ASP CB . 18314 1 146 . 1 1 13 13 ASP N N 15 117.843 0.4 . 1 . . . A 13 ASP N . 18314 1 147 . 1 1 14 14 LEU H H 1 7.653 0.04 . 1 . . . A 14 LEU H . 18314 1 148 . 1 1 14 14 LEU HA H 1 4.315 0.04 . 1 . . . A 14 LEU HA . 18314 1 149 . 1 1 14 14 LEU HB2 H 1 2.082 0.04 . 2 . . . A 14 LEU HB2 . 18314 1 150 . 1 1 14 14 LEU HB3 H 1 1.94 0.04 . 2 . . . A 14 LEU HB3 . 18314 1 151 . 1 1 14 14 LEU HG H 1 1.953 0.04 . 1 . . . A 14 LEU HG . 18314 1 152 . 1 1 14 14 LEU HD11 H 1 1.331 0.04 . 2 . . . A 14 LEU HD11 . 18314 1 153 . 1 1 14 14 LEU HD12 H 1 1.331 0.04 . 2 . . . A 14 LEU HD12 . 18314 1 154 . 1 1 14 14 LEU HD13 H 1 1.331 0.04 . 2 . . . A 14 LEU HD13 . 18314 1 155 . 1 1 14 14 LEU HD21 H 1 1.264 0.04 . 2 . . . A 14 LEU HD21 . 18314 1 156 . 1 1 14 14 LEU HD22 H 1 1.264 0.04 . 2 . . . A 14 LEU HD22 . 18314 1 157 . 1 1 14 14 LEU HD23 H 1 1.264 0.04 . 2 . . . A 14 LEU HD23 . 18314 1 158 . 1 1 14 14 LEU C C 13 176.384 0.4 . 1 . . . A 14 LEU C . 18314 1 159 . 1 1 14 14 LEU CA C 13 55.413 0.4 . 1 . . . A 14 LEU CA . 18314 1 160 . 1 1 14 14 LEU CB C 13 38.916 0.4 . 1 . . . A 14 LEU CB . 18314 1 161 . 1 1 14 14 LEU CG C 13 24.855 0.4 . 1 . . . A 14 LEU CG . 18314 1 162 . 1 1 14 14 LEU CD1 C 13 22.698 0.4 . 2 . . . A 14 LEU CD1 . 18314 1 163 . 1 1 14 14 LEU CD2 C 13 21.449 0.4 . 2 . . . A 14 LEU CD2 . 18314 1 164 . 1 1 14 14 LEU N N 15 122.835 0.4 . 1 . . . A 14 LEU N . 18314 1 165 . 1 1 15 15 ARG H H 1 7.844 0.04 . 1 . . . A 15 ARG H . 18314 1 166 . 1 1 15 15 ARG HA H 1 4.089 0.04 . 1 . . . A 15 ARG HA . 18314 1 167 . 1 1 15 15 ARG HB2 H 1 1.921 0.04 . 2 . . . A 15 ARG HB2 . 18314 1 168 . 1 1 15 15 ARG HB3 H 1 1.825 0.04 . 2 . . . A 15 ARG HB3 . 18314 1 169 . 1 1 15 15 ARG HG2 H 1 1.656 0.04 . 2 . . . A 15 ARG HG2 . 18314 1 170 . 1 1 15 15 ARG HG3 H 1 1.656 0.04 . 2 . . . A 15 ARG HG3 . 18314 1 171 . 1 1 15 15 ARG HD2 H 1 2.441 0.04 . 2 . . . A 15 ARG HD2 . 18314 1 172 . 1 1 15 15 ARG HD3 H 1 2.386 0.04 . 2 . . . A 15 ARG HD3 . 18314 1 173 . 1 1 15 15 ARG C C 13 176.261 0.4 . 1 . . . A 15 ARG C . 18314 1 174 . 1 1 15 15 ARG CA C 13 57.573 0.4 . 1 . . . A 15 ARG CA . 18314 1 175 . 1 1 15 15 ARG CB C 13 27.72 0.4 . 1 . . . A 15 ARG CB . 18314 1 176 . 1 1 15 15 ARG CG C 13 22.611 0.4 . 1 . . . A 15 ARG CG . 18314 1 177 . 1 1 15 15 ARG CD C 13 40.262 0.4 . 1 . . . A 15 ARG CD . 18314 1 178 . 1 1 15 15 ARG N N 15 118.184 0.4 . 1 . . . A 15 ARG N . 18314 1 179 . 1 1 16 16 SER H H 1 8.439 0.04 . 1 . . . A 16 SER H . 18314 1 180 . 1 1 16 16 SER HA H 1 4.14 0.04 . 1 . . . A 16 SER HA . 18314 1 181 . 1 1 16 16 SER HB2 H 1 4.025 0.04 . 2 . . . A 16 SER HB2 . 18314 1 182 . 1 1 16 16 SER HB3 H 1 3.961 0.04 . 2 . . . A 16 SER HB3 . 18314 1 183 . 1 1 16 16 SER C C 13 174.64 0.4 . 1 . . . A 16 SER C . 18314 1 184 . 1 1 16 16 SER CA C 13 58.907 0.4 . 1 . . . A 16 SER CA . 18314 1 185 . 1 1 16 16 SER CB C 13 60.023 0.4 . 1 . . . A 16 SER CB . 18314 1 186 . 1 1 16 16 SER N N 15 112.715 0.4 . 1 . . . A 16 SER N . 18314 1 187 . 1 1 17 17 HIS H H 1 8.054 0.04 . 1 . . . A 17 HIS H . 18314 1 188 . 1 1 17 17 HIS HA H 1 4.536 0.04 . 1 . . . A 17 HIS HA . 18314 1 189 . 1 1 17 17 HIS HB2 H 1 3.567 0.04 . 2 . . . A 17 HIS HB2 . 18314 1 190 . 1 1 17 17 HIS HB3 H 1 3.407 0.04 . 2 . . . A 17 HIS HB3 . 18314 1 191 . 1 1 17 17 HIS HD2 H 1 7.046 0.04 . 1 . . . A 17 HIS HD2 . 18314 1 192 . 1 1 17 17 HIS C C 13 174.763 0.4 . 1 . . . A 17 HIS C . 18314 1 193 . 1 1 17 17 HIS CA C 13 56.575 0.4 . 1 . . . A 17 HIS CA . 18314 1 194 . 1 1 17 17 HIS CB C 13 26.721 0.4 . 1 . . . A 17 HIS CB . 18314 1 195 . 1 1 17 17 HIS N N 15 121.92 0.4 . 1 . . . A 17 HIS N . 18314 1 196 . 1 1 18 18 LEU H H 1 8.293 0.04 . 1 . . . A 18 LEU H . 18314 1 197 . 1 1 18 18 LEU HA H 1 4.033 0.04 . 1 . . . A 18 LEU HA . 18314 1 198 . 1 1 18 18 LEU HB2 H 1 2.214 0.04 . 2 . . . A 18 LEU HB2 . 18314 1 199 . 1 1 18 18 LEU HB3 H 1 1.436 0.04 . 2 . . . A 18 LEU HB3 . 18314 1 200 . 1 1 18 18 LEU HG H 1 2.02 0.04 . 1 . . . A 18 LEU HG . 18314 1 201 . 1 1 18 18 LEU HD11 H 1 1.04 0.04 . 2 . . . A 18 LEU HD11 . 18314 1 202 . 1 1 18 18 LEU HD12 H 1 1.04 0.04 . 2 . . . A 18 LEU HD12 . 18314 1 203 . 1 1 18 18 LEU HD13 H 1 1.04 0.04 . 2 . . . A 18 LEU HD13 . 18314 1 204 . 1 1 18 18 LEU HD21 H 1 0.877 0.04 . 2 . . . A 18 LEU HD21 . 18314 1 205 . 1 1 18 18 LEU HD22 H 1 0.877 0.04 . 2 . . . A 18 LEU HD22 . 18314 1 206 . 1 1 18 18 LEU HD23 H 1 0.877 0.04 . 2 . . . A 18 LEU HD23 . 18314 1 207 . 1 1 18 18 LEU C C 13 176.457 0.4 . 1 . . . A 18 LEU C . 18314 1 208 . 1 1 18 18 LEU CA C 13 55.367 0.4 . 1 . . . A 18 LEU CA . 18314 1 209 . 1 1 18 18 LEU CB C 13 37.763 0.4 . 1 . . . A 18 LEU CB . 18314 1 210 . 1 1 18 18 LEU CG C 13 24.865 0.4 . 1 . . . A 18 LEU CG . 18314 1 211 . 1 1 18 18 LEU CD1 C 13 23.226 0.4 . 2 . . . A 18 LEU CD1 . 18314 1 212 . 1 1 18 18 LEU CD2 C 13 20.782 0.4 . 2 . . . A 18 LEU CD2 . 18314 1 213 . 1 1 18 18 LEU N N 15 121.436 0.4 . 1 . . . A 18 LEU N . 18314 1 214 . 1 1 19 19 VAL H H 1 8.353 0.04 . 1 . . . A 19 VAL H . 18314 1 215 . 1 1 19 19 VAL HA H 1 3.472 0.04 . 1 . . . A 19 VAL HA . 18314 1 216 . 1 1 19 19 VAL HB H 1 2.273 0.04 . 1 . . . A 19 VAL HB . 18314 1 217 . 1 1 19 19 VAL HG11 H 1 1.057 0.04 . 2 . . . A 19 VAL HG11 . 18314 1 218 . 1 1 19 19 VAL HG12 H 1 1.057 0.04 . 2 . . . A 19 VAL HG12 . 18314 1 219 . 1 1 19 19 VAL HG13 H 1 1.057 0.04 . 2 . . . A 19 VAL HG13 . 18314 1 220 . 1 1 19 19 VAL HG21 H 1 0.875 0.04 . 2 . . . A 19 VAL HG21 . 18314 1 221 . 1 1 19 19 VAL HG22 H 1 0.875 0.04 . 2 . . . A 19 VAL HG22 . 18314 1 222 . 1 1 19 19 VAL HG23 H 1 0.875 0.04 . 2 . . . A 19 VAL HG23 . 18314 1 223 . 1 1 19 19 VAL C C 13 175.131 0.4 . 1 . . . A 19 VAL C . 18314 1 224 . 1 1 19 19 VAL CA C 13 64.947 0.4 . 1 . . . A 19 VAL CA . 18314 1 225 . 1 1 19 19 VAL CB C 13 28.784 0.4 . 1 . . . A 19 VAL CB . 18314 1 226 . 1 1 19 19 VAL CG1 C 13 21.35 0.4 . 2 . . . A 19 VAL CG1 . 18314 1 227 . 1 1 19 19 VAL CG2 C 13 18.782 0.4 . 2 . . . A 19 VAL CG2 . 18314 1 228 . 1 1 19 19 VAL N N 15 119.696 0.4 . 1 . . . A 19 VAL N . 18314 1 229 . 1 1 20 20 HIS H H 1 7.902 0.04 . 1 . . . A 20 HIS H . 18314 1 230 . 1 1 20 20 HIS HA H 1 4.276 0.04 . 1 . . . A 20 HIS HA . 18314 1 231 . 1 1 20 20 HIS HB2 H 1 3.386 0.04 . 2 . . . A 20 HIS HB2 . 18314 1 232 . 1 1 20 20 HIS HB3 H 1 3.284 0.04 . 2 . . . A 20 HIS HB3 . 18314 1 233 . 1 1 20 20 HIS HD2 H 1 7.025 0.04 . 1 . . . A 20 HIS HD2 . 18314 1 234 . 1 1 20 20 HIS HE1 H 1 8.138 0.04 . 1 . . . A 20 HIS HE1 . 18314 1 235 . 1 1 20 20 HIS C C 13 174.567 0.4 . 1 . . . A 20 HIS C . 18314 1 236 . 1 1 20 20 HIS CA C 13 56.968 0.4 . 1 . . . A 20 HIS CA . 18314 1 237 . 1 1 20 20 HIS CB C 13 26.581 0.4 . 1 . . . A 20 HIS CB . 18314 1 238 . 1 1 20 20 HIS N N 15 116.899 0.4 . 1 . . . A 20 HIS N . 18314 1 239 . 1 1 21 21 LYS H H 1 8.118 0.04 . 1 . . . A 21 LYS H . 18314 1 240 . 1 1 21 21 LYS HA H 1 3.989 0.04 . 1 . . . A 21 LYS HA . 18314 1 241 . 1 1 21 21 LYS HB2 H 1 2.018 0.04 . 2 . . . A 21 LYS HB2 . 18314 1 242 . 1 1 21 21 LYS HB3 H 1 1.797 0.04 . 2 . . . A 21 LYS HB3 . 18314 1 243 . 1 1 21 21 LYS HG2 H 1 1.473 0.04 . 2 . . . A 21 LYS HG2 . 18314 1 244 . 1 1 21 21 LYS HG3 H 1 1.421 0.04 . 2 . . . A 21 LYS HG3 . 18314 1 245 . 1 1 21 21 LYS HD2 H 1 1.621 0.04 . 2 . . . A 21 LYS HD2 . 18314 1 246 . 1 1 21 21 LYS HD3 H 1 1.621 0.04 . 2 . . . A 21 LYS HD3 . 18314 1 247 . 1 1 21 21 LYS HE2 H 1 2.892 0.04 . 2 . . . A 21 LYS HE2 . 18314 1 248 . 1 1 21 21 LYS HE3 H 1 2.892 0.04 . 2 . . . A 21 LYS HE3 . 18314 1 249 . 1 1 21 21 LYS C C 13 176.58 0.4 . 1 . . . A 21 LYS C . 18314 1 250 . 1 1 21 21 LYS CA C 13 55.995 0.4 . 1 . . . A 21 LYS CA . 18314 1 251 . 1 1 21 21 LYS CB C 13 29.017 0.4 . 1 . . . A 21 LYS CB . 18314 1 252 . 1 1 21 21 LYS CG C 13 21.885 0.4 . 1 . . . A 21 LYS CG . 18314 1 253 . 1 1 21 21 LYS CD C 13 25.951 0.4 . 1 . . . A 21 LYS CD . 18314 1 254 . 1 1 21 21 LYS CE C 13 38.988 0.4 . 1 . . . A 21 LYS CE . 18314 1 255 . 1 1 21 21 LYS N N 15 119.225 0.4 . 1 . . . A 21 LYS N . 18314 1 256 . 1 1 22 22 LEU H H 1 8.089 0.04 . 1 . . . A 22 LEU H . 18314 1 257 . 1 1 22 22 LEU HA H 1 3.993 0.04 . 1 . . . A 22 LEU HA . 18314 1 258 . 1 1 22 22 LEU HB2 H 1 2.087 0.04 . 2 . . . A 22 LEU HB2 . 18314 1 259 . 1 1 22 22 LEU HB3 H 1 1.585 0.04 . 2 . . . A 22 LEU HB3 . 18314 1 260 . 1 1 22 22 LEU HG H 1 1.736 0.04 . 1 . . . A 22 LEU HG . 18314 1 261 . 1 1 22 22 LEU HD11 H 1 0.904 0.04 . 2 . . . A 22 LEU HD11 . 18314 1 262 . 1 1 22 22 LEU HD12 H 1 0.904 0.04 . 2 . . . A 22 LEU HD12 . 18314 1 263 . 1 1 22 22 LEU HD13 H 1 0.904 0.04 . 2 . . . A 22 LEU HD13 . 18314 1 264 . 1 1 22 22 LEU HD21 H 1 0.839 0.04 . 2 . . . A 22 LEU HD21 . 18314 1 265 . 1 1 22 22 LEU HD22 H 1 0.839 0.04 . 2 . . . A 22 LEU HD22 . 18314 1 266 . 1 1 22 22 LEU HD23 H 1 0.839 0.04 . 2 . . . A 22 LEU HD23 . 18314 1 267 . 1 1 22 22 LEU C C 13 175.377 0.4 . 1 . . . A 22 LEU C . 18314 1 268 . 1 1 22 22 LEU CA C 13 55.995 0.4 . 1 . . . A 22 LEU CA . 18314 1 269 . 1 1 22 22 LEU CB C 13 39.665 0.4 . 1 . . . A 22 LEU CB . 18314 1 270 . 1 1 22 22 LEU CG C 13 24.889 0.4 . 1 . . . A 22 LEU CG . 18314 1 271 . 1 1 22 22 LEU CD1 C 13 23.248 0.4 . 2 . . . A 22 LEU CD1 . 18314 1 272 . 1 1 22 22 LEU CD2 C 13 21.96 0.4 . 2 . . . A 22 LEU CD2 . 18314 1 273 . 1 1 22 22 LEU N N 15 121.345 0.4 . 1 . . . A 22 LEU N . 18314 1 274 . 1 1 23 23 VAL H H 1 8.064 0.04 . 1 . . . A 23 VAL H . 18314 1 275 . 1 1 23 23 VAL HA H 1 3.472 0.04 . 1 . . . A 23 VAL HA . 18314 1 276 . 1 1 23 23 VAL HB H 1 2.267 0.04 . 1 . . . A 23 VAL HB . 18314 1 277 . 1 1 23 23 VAL HG11 H 1 1.066 0.04 . 2 . . . A 23 VAL HG11 . 18314 1 278 . 1 1 23 23 VAL HG12 H 1 1.066 0.04 . 2 . . . A 23 VAL HG12 . 18314 1 279 . 1 1 23 23 VAL HG13 H 1 1.066 0.04 . 2 . . . A 23 VAL HG13 . 18314 1 280 . 1 1 23 23 VAL HG21 H 1 1 0.04 . 2 . . . A 23 VAL HG21 . 18314 1 281 . 1 1 23 23 VAL HG22 H 1 1 0.04 . 2 . . . A 23 VAL HG22 . 18314 1 282 . 1 1 23 23 VAL HG23 H 1 1 0.04 . 2 . . . A 23 VAL HG23 . 18314 1 283 . 1 1 23 23 VAL C C 13 174.96 0.4 . 1 . . . A 23 VAL C . 18314 1 284 . 1 1 23 23 VAL CA C 13 64.795 0.4 . 1 . . . A 23 VAL CA . 18314 1 285 . 1 1 23 23 VAL CB C 13 28.782 0.4 . 1 . . . A 23 VAL CB . 18314 1 286 . 1 1 23 23 VAL CG1 C 13 21.153 0.4 . 2 . . . A 23 VAL CG1 . 18314 1 287 . 1 1 23 23 VAL CG2 C 13 18.982 0.4 . 2 . . . A 23 VAL CG2 . 18314 1 288 . 1 1 23 23 VAL N N 15 117.934 0.4 . 1 . . . A 23 VAL N . 18314 1 289 . 1 1 24 24 GLN H H 1 8.031 0.04 . 1 . . . A 24 GLN H . 18314 1 290 . 1 1 24 24 GLN HA H 1 4.006 0.04 . 1 . . . A 24 GLN HA . 18314 1 291 . 1 1 24 24 GLN HB2 H 1 2.047 0.04 . 2 . . . A 24 GLN HB2 . 18314 1 292 . 1 1 24 24 GLN HB3 H 1 2.047 0.04 . 2 . . . A 24 GLN HB3 . 18314 1 293 . 1 1 24 24 GLN HG2 H 1 2.372 0.04 . 2 . . . A 24 GLN HG2 . 18314 1 294 . 1 1 24 24 GLN HG3 H 1 2.305 0.04 . 2 . . . A 24 GLN HG3 . 18314 1 295 . 1 1 24 24 GLN HE21 H 1 6.864 0.04 . 2 . . . A 24 GLN HE21 . 18314 1 296 . 1 1 24 24 GLN HE22 H 1 7.315 0.04 . 2 . . . A 24 GLN HE22 . 18314 1 297 . 1 1 24 24 GLN C C 13 174.419 0.4 . 1 . . . A 24 GLN C . 18314 1 298 . 1 1 24 24 GLN CA C 13 55.338 0.4 . 1 . . . A 24 GLN CA . 18314 1 299 . 1 1 24 24 GLN CB C 13 26.172 0.4 . 1 . . . A 24 GLN CB . 18314 1 300 . 1 1 24 24 GLN CG C 13 31.484 0.4 . 1 . . . A 24 GLN CG . 18314 1 301 . 1 1 24 24 GLN N N 15 116.195 0.4 . 1 . . . A 24 GLN N . 18314 1 302 . 1 1 24 24 GLN NE2 N 15 111.413 0.4 . 1 . . . A 24 GLN NE2 . 18314 1 303 . 1 1 25 25 ALA H H 1 7.604 0.04 . 1 . . . A 25 ALA H . 18314 1 304 . 1 1 25 25 ALA HA H 1 4.168 0.04 . 1 . . . A 25 ALA HA . 18314 1 305 . 1 1 25 25 ALA HB1 H 1 1.571 0.04 . 1 . . . A 25 ALA HB1 . 18314 1 306 . 1 1 25 25 ALA HB2 H 1 1.571 0.04 . 1 . . . A 25 ALA HB2 . 18314 1 307 . 1 1 25 25 ALA HB3 H 1 1.571 0.04 . 1 . . . A 25 ALA HB3 . 18314 1 308 . 1 1 25 25 ALA C C 13 175.549 0.4 . 1 . . . A 25 ALA C . 18314 1 309 . 1 1 25 25 ALA CA C 13 51.133 0.4 . 1 . . . A 25 ALA CA . 18314 1 310 . 1 1 25 25 ALA CB C 13 16.264 0.4 . 1 . . . A 25 ALA CB . 18314 1 311 . 1 1 25 25 ALA N N 15 119.206 0.4 . 1 . . . A 25 ALA N . 18314 1 312 . 1 1 26 26 ILE H H 1 7.542 0.04 . 1 . . . A 26 ILE H . 18314 1 313 . 1 1 26 26 ILE HA H 1 3.92 0.04 . 1 . . . A 26 ILE HA . 18314 1 314 . 1 1 26 26 ILE HB H 1 1.892 0.04 . 1 . . . A 26 ILE HB . 18314 1 315 . 1 1 26 26 ILE HG12 H 1 1.191 0.04 . 2 . . . A 26 ILE HG12 . 18314 1 316 . 1 1 26 26 ILE HG13 H 1 1.191 0.04 . 2 . . . A 26 ILE HG13 . 18314 1 317 . 1 1 26 26 ILE HG21 H 1 0.836 0.04 . 1 . . . A 26 ILE HG21 . 18314 1 318 . 1 1 26 26 ILE HG22 H 1 0.836 0.04 . 1 . . . A 26 ILE HG22 . 18314 1 319 . 1 1 26 26 ILE HG23 H 1 0.836 0.04 . 1 . . . A 26 ILE HG23 . 18314 1 320 . 1 1 26 26 ILE HD11 H 1 0.899 0.04 . 1 . . . A 26 ILE HD11 . 18314 1 321 . 1 1 26 26 ILE HD12 H 1 0.899 0.04 . 1 . . . A 26 ILE HD12 . 18314 1 322 . 1 1 26 26 ILE HD13 H 1 0.899 0.04 . 1 . . . A 26 ILE HD13 . 18314 1 323 . 1 1 26 26 ILE C C 13 172.529 0.4 . 1 . . . A 26 ILE C . 18314 1 324 . 1 1 26 26 ILE CA C 13 60.102 0.4 . 1 . . . A 26 ILE CA . 18314 1 325 . 1 1 26 26 ILE CB C 13 36.44 0.4 . 1 . . . A 26 ILE CB . 18314 1 326 . 1 1 26 26 ILE CG1 C 13 25.773 0.4 . 1 . . . A 26 ILE CG1 . 18314 1 327 . 1 1 26 26 ILE CG2 C 13 15.582 0.4 . 1 . . . A 26 ILE CG2 . 18314 1 328 . 1 1 26 26 ILE CD1 C 13 11.492 0.4 . 1 . . . A 26 ILE CD1 . 18314 1 329 . 1 1 26 26 ILE N N 15 114.074 0.4 . 1 . . . A 26 ILE N . 18314 1 330 . 1 1 27 27 PHE H H 1 8.164 0.04 . 1 . . . A 27 PHE H . 18314 1 331 . 1 1 27 27 PHE HA H 1 4.934 0.04 . 1 . . . A 27 PHE HA . 18314 1 332 . 1 1 27 27 PHE HB2 H 1 3.192 0.04 . 2 . . . A 27 PHE HB2 . 18314 1 333 . 1 1 27 27 PHE HB3 H 1 2.763 0.04 . 2 . . . A 27 PHE HB3 . 18314 1 334 . 1 1 27 27 PHE HD1 H 1 7.216 0.04 . 3 . . . A 27 PHE HD1 . 18314 1 335 . 1 1 27 27 PHE HD2 H 1 7.216 0.04 . 3 . . . A 27 PHE HD2 . 18314 1 336 . 1 1 27 27 PHE CA C 13 52.372 0.4 . 1 . . . A 27 PHE CA . 18314 1 337 . 1 1 27 27 PHE CB C 13 37.499 0.4 . 1 . . . A 27 PHE CB . 18314 1 338 . 1 1 27 27 PHE N N 15 120.068 0.4 . 1 . . . A 27 PHE N . 18314 1 339 . 1 1 28 28 PRO HA H 1 4.544 0.04 . 1 . . . A 28 PRO HA . 18314 1 340 . 1 1 28 28 PRO HB2 H 1 2.294 0.04 . 2 . . . A 28 PRO HB2 . 18314 1 341 . 1 1 28 28 PRO HB3 H 1 1.911 0.04 . 2 . . . A 28 PRO HB3 . 18314 1 342 . 1 1 28 28 PRO HG2 H 1 2.001 0.04 . 2 . . . A 28 PRO HG2 . 18314 1 343 . 1 1 28 28 PRO HG3 H 1 1.934 0.04 . 2 . . . A 28 PRO HG3 . 18314 1 344 . 1 1 28 28 PRO HD2 H 1 3.471 0.04 . 2 . . . A 28 PRO HD2 . 18314 1 345 . 1 1 28 28 PRO HD3 H 1 3.471 0.04 . 2 . . . A 28 PRO HD3 . 18314 1 346 . 1 1 28 28 PRO C C 13 174.518 0.4 . 1 . . . A 28 PRO C . 18314 1 347 . 1 1 28 28 PRO CA C 13 61.11 0.4 . 1 . . . A 28 PRO CA . 18314 1 348 . 1 1 28 28 PRO CB C 13 29.111 0.4 . 1 . . . A 28 PRO CB . 18314 1 349 . 1 1 28 28 PRO CG C 13 24.467 0.4 . 1 . . . A 28 PRO CG . 18314 1 350 . 1 1 28 28 PRO CD C 13 47.419 0.4 . 1 . . . A 28 PRO CD . 18314 1 351 . 1 1 29 29 THR H H 1 7.93 0.04 . 1 . . . A 29 THR H . 18314 1 352 . 1 1 29 29 THR HA H 1 4.608 0.04 . 1 . . . A 29 THR HA . 18314 1 353 . 1 1 29 29 THR HB H 1 4.109 0.04 . 1 . . . A 29 THR HB . 18314 1 354 . 1 1 29 29 THR HG21 H 1 1.151 0.04 . 1 . . . A 29 THR HG21 . 18314 1 355 . 1 1 29 29 THR HG22 H 1 1.151 0.04 . 1 . . . A 29 THR HG22 . 18314 1 356 . 1 1 29 29 THR HG23 H 1 1.151 0.04 . 1 . . . A 29 THR HG23 . 18314 1 357 . 1 1 29 29 THR CA C 13 55.84 0.4 . 1 . . . A 29 THR CA . 18314 1 358 . 1 1 29 29 THR CB C 13 67.211 0.4 . 1 . . . A 29 THR CB . 18314 1 359 . 1 1 29 29 THR CG2 C 13 18.406 0.4 . 1 . . . A 29 THR CG2 . 18314 1 360 . 1 1 29 29 THR N N 15 114.499 0.4 . 1 . . . A 29 THR N . 18314 1 361 . 1 1 30 30 PRO HA H 1 4.364 0.04 . 1 . . . A 30 PRO HA . 18314 1 362 . 1 1 30 30 PRO HB2 H 1 2.117 0.04 . 2 . . . A 30 PRO HB2 . 18314 1 363 . 1 1 30 30 PRO HB3 H 1 1.933 0.04 . 2 . . . A 30 PRO HB3 . 18314 1 364 . 1 1 30 30 PRO HG2 H 1 1.983 0.04 . 2 . . . A 30 PRO HG2 . 18314 1 365 . 1 1 30 30 PRO HG3 H 1 1.932 0.04 . 2 . . . A 30 PRO HG3 . 18314 1 366 . 1 1 30 30 PRO HD2 H 1 3.703 0.04 . 2 . . . A 30 PRO HD2 . 18314 1 367 . 1 1 30 30 PRO HD3 H 1 3.703 0.04 . 2 . . . A 30 PRO HD3 . 18314 1 368 . 1 1 30 30 PRO C C 13 173.437 0.4 . 1 . . . A 30 PRO C . 18314 1 369 . 1 1 30 30 PRO CA C 13 60.692 0.4 . 1 . . . A 30 PRO CA . 18314 1 370 . 1 1 30 30 PRO CB C 13 29.114 0.4 . 1 . . . A 30 PRO CB . 18314 1 371 . 1 1 30 30 PRO CG C 13 24.33 0.4 . 1 . . . A 30 PRO CG . 18314 1 372 . 1 1 30 30 PRO CD C 13 48.066 0.4 . 1 . . . A 30 PRO CD . 18314 1 373 . 1 1 31 31 ASP H H 1 7.961 0.04 . 1 . . . A 31 ASP H . 18314 1 374 . 1 1 31 31 ASP HA H 1 4.949 0.04 . 1 . . . A 31 ASP HA . 18314 1 375 . 1 1 31 31 ASP HB2 H 1 2.809 0.04 . 2 . . . A 31 ASP HB2 . 18314 1 376 . 1 1 31 31 ASP HB3 H 1 2.647 0.04 . 2 . . . A 31 ASP HB3 . 18314 1 377 . 1 1 31 31 ASP CA C 13 48.694 0.4 . 1 . . . A 31 ASP CA . 18314 1 378 . 1 1 31 31 ASP CB C 13 39.143 0.4 . 1 . . . A 31 ASP CB . 18314 1 379 . 1 1 31 31 ASP N N 15 120.184 0.4 . 1 . . . A 31 ASP N . 18314 1 380 . 1 1 32 32 PRO HA H 1 4.272 0.04 . 1 . . . A 32 PRO HA . 18314 1 381 . 1 1 32 32 PRO HB2 H 1 2.346 0.04 . 2 . . . A 32 PRO HB2 . 18314 1 382 . 1 1 32 32 PRO HB3 H 1 1.981 0.04 . 2 . . . A 32 PRO HB3 . 18314 1 383 . 1 1 32 32 PRO HG2 H 1 2.091 0.04 . 2 . . . A 32 PRO HG2 . 18314 1 384 . 1 1 32 32 PRO HG3 H 1 2.028 0.04 . 2 . . . A 32 PRO HG3 . 18314 1 385 . 1 1 32 32 PRO HD2 H 1 3.92 0.04 . 2 . . . A 32 PRO HD2 . 18314 1 386 . 1 1 32 32 PRO HD3 H 1 3.92 0.04 . 2 . . . A 32 PRO HD3 . 18314 1 387 . 1 1 32 32 PRO C C 13 175.328 0.4 . 1 . . . A 32 PRO C . 18314 1 388 . 1 1 32 32 PRO CA C 13 61.901 0.4 . 1 . . . A 32 PRO CA . 18314 1 389 . 1 1 32 32 PRO CB C 13 29.248 0.4 . 1 . . . A 32 PRO CB . 18314 1 390 . 1 1 32 32 PRO CG C 13 24.542 0.4 . 1 . . . A 32 PRO CG . 18314 1 391 . 1 1 32 32 PRO CD C 13 48.197 0.4 . 1 . . . A 32 PRO CD . 18314 1 392 . 1 1 33 33 ALA H H 1 8.274 0.04 . 1 . . . A 33 ALA H . 18314 1 393 . 1 1 33 33 ALA HA H 1 4.21 0.04 . 1 . . . A 33 ALA HA . 18314 1 394 . 1 1 33 33 ALA HB1 H 1 1.447 0.04 . 1 . . . A 33 ALA HB1 . 18314 1 395 . 1 1 33 33 ALA HB2 H 1 1.447 0.04 . 1 . . . A 33 ALA HB2 . 18314 1 396 . 1 1 33 33 ALA HB3 H 1 1.447 0.04 . 1 . . . A 33 ALA HB3 . 18314 1 397 . 1 1 33 33 ALA C C 13 176.187 0.4 . 1 . . . A 33 ALA C . 18314 1 398 . 1 1 33 33 ALA CA C 13 50.893 0.4 . 1 . . . A 33 ALA CA . 18314 1 399 . 1 1 33 33 ALA CB C 13 15.658 0.4 . 1 . . . A 33 ALA CB . 18314 1 400 . 1 1 33 33 ALA N N 15 120.566 0.4 . 1 . . . A 33 ALA N . 18314 1 401 . 1 1 34 34 ALA H H 1 7.789 0.04 . 1 . . . A 34 ALA H . 18314 1 402 . 1 1 34 34 ALA HA H 1 4.304 0.04 . 1 . . . A 34 ALA HA . 18314 1 403 . 1 1 34 34 ALA HB1 H 1 1.518 0.04 . 1 . . . A 34 ALA HB1 . 18314 1 404 . 1 1 34 34 ALA HB2 H 1 1.518 0.04 . 1 . . . A 34 ALA HB2 . 18314 1 405 . 1 1 34 34 ALA HB3 H 1 1.518 0.04 . 1 . . . A 34 ALA HB3 . 18314 1 406 . 1 1 34 34 ALA C C 13 175.598 0.4 . 1 . . . A 34 ALA C . 18314 1 407 . 1 1 34 34 ALA CA C 13 50.483 0.4 . 1 . . . A 34 ALA CA . 18314 1 408 . 1 1 34 34 ALA CB C 13 16.254 0.4 . 1 . . . A 34 ALA CB . 18314 1 409 . 1 1 34 34 ALA N N 15 120.927 0.4 . 1 . . . A 34 ALA N . 18314 1 410 . 1 1 35 35 LEU H H 1 7.631 0.04 . 1 . . . A 35 LEU H . 18314 1 411 . 1 1 35 35 LEU HA H 1 4.208 0.04 . 1 . . . A 35 LEU HA . 18314 1 412 . 1 1 35 35 LEU HB2 H 1 1.644 0.04 . 2 . . . A 35 LEU HB2 . 18314 1 413 . 1 1 35 35 LEU HB3 H 1 1.606 0.04 . 2 . . . A 35 LEU HB3 . 18314 1 414 . 1 1 35 35 LEU HG H 1 1.661 0.04 . 1 . . . A 35 LEU HG . 18314 1 415 . 1 1 35 35 LEU HD11 H 1 0.95 0.04 . 2 . . . A 35 LEU HD11 . 18314 1 416 . 1 1 35 35 LEU HD12 H 1 0.95 0.04 . 2 . . . A 35 LEU HD12 . 18314 1 417 . 1 1 35 35 LEU HD13 H 1 0.95 0.04 . 2 . . . A 35 LEU HD13 . 18314 1 418 . 1 1 35 35 LEU HD21 H 1 0.894 0.04 . 2 . . . A 35 LEU HD21 . 18314 1 419 . 1 1 35 35 LEU HD22 H 1 0.894 0.04 . 2 . . . A 35 LEU HD22 . 18314 1 420 . 1 1 35 35 LEU HD23 H 1 0.894 0.04 . 2 . . . A 35 LEU HD23 . 18314 1 421 . 1 1 35 35 LEU C C 13 174.935 0.4 . 1 . . . A 35 LEU C . 18314 1 422 . 1 1 35 35 LEU CA C 13 53.227 0.4 . 1 . . . A 35 LEU CA . 18314 1 423 . 1 1 35 35 LEU CB C 13 40.532 0.4 . 1 . . . A 35 LEU CB . 18314 1 424 . 1 1 35 35 LEU CG C 13 24.38 0.4 . 1 . . . A 35 LEU CG . 18314 1 425 . 1 1 35 35 LEU CD1 C 13 22.399 0.4 . 2 . . . A 35 LEU CD1 . 18314 1 426 . 1 1 35 35 LEU CD2 C 13 20.7 0.4 . 2 . . . A 35 LEU CD2 . 18314 1 427 . 1 1 35 35 LEU N N 15 117.437 0.4 . 1 . . . A 35 LEU N . 18314 1 428 . 1 1 36 36 LYS H H 1 7.809 0.04 . 1 . . . A 36 LYS H . 18314 1 429 . 1 1 36 36 LYS HA H 1 4.323 0.04 . 1 . . . A 36 LYS HA . 18314 1 430 . 1 1 36 36 LYS HB2 H 1 1.951 0.04 . 2 . . . A 36 LYS HB2 . 18314 1 431 . 1 1 36 36 LYS HB3 H 1 1.823 0.04 . 2 . . . A 36 LYS HB3 . 18314 1 432 . 1 1 36 36 LYS HG2 H 1 1.492 0.04 . 2 . . . A 36 LYS HG2 . 18314 1 433 . 1 1 36 36 LYS HG3 H 1 1.433 0.04 . 2 . . . A 36 LYS HG3 . 18314 1 434 . 1 1 36 36 LYS HD2 H 1 1.708 0.04 . 2 . . . A 36 LYS HD2 . 18314 1 435 . 1 1 36 36 LYS HD3 H 1 1.708 0.04 . 2 . . . A 36 LYS HD3 . 18314 1 436 . 1 1 36 36 LYS HE2 H 1 3.014 0.04 . 2 . . . A 36 LYS HE2 . 18314 1 437 . 1 1 36 36 LYS HE3 H 1 3.014 0.04 . 2 . . . A 36 LYS HE3 . 18314 1 438 . 1 1 36 36 LYS C C 13 173.609 0.4 . 1 . . . A 36 LYS C . 18314 1 439 . 1 1 36 36 LYS CA C 13 53.576 0.4 . 1 . . . A 36 LYS CA . 18314 1 440 . 1 1 36 36 LYS CB C 13 29.871 0.4 . 1 . . . A 36 LYS CB . 18314 1 441 . 1 1 36 36 LYS CG C 13 21.992 0.4 . 1 . . . A 36 LYS CG . 18314 1 442 . 1 1 36 36 LYS CD C 13 26.184 0.4 . 1 . . . A 36 LYS CD . 18314 1 443 . 1 1 36 36 LYS CE C 13 39.208 0.4 . 1 . . . A 36 LYS CE . 18314 1 444 . 1 1 36 36 LYS N N 15 118.675 0.4 . 1 . . . A 36 LYS N . 18314 1 445 . 1 1 37 37 ASP H H 1 7.844 0.04 . 1 . . . A 37 ASP H . 18314 1 446 . 1 1 37 37 ASP HA H 1 4.609 0.04 . 1 . . . A 37 ASP HA . 18314 1 447 . 1 1 37 37 ASP HB2 H 1 2.802 0.04 . 2 . . . A 37 ASP HB2 . 18314 1 448 . 1 1 37 37 ASP HB3 H 1 2.802 0.04 . 2 . . . A 37 ASP HB3 . 18314 1 449 . 1 1 37 37 ASP C C 13 174.198 0.4 . 1 . . . A 37 ASP C . 18314 1 450 . 1 1 37 37 ASP CA C 13 51.455 0.4 . 1 . . . A 37 ASP CA . 18314 1 451 . 1 1 37 37 ASP CB C 13 39.301 0.4 . 1 . . . A 37 ASP CB . 18314 1 452 . 1 1 37 37 ASP N N 15 119.985 0.4 . 1 . . . A 37 ASP N . 18314 1 453 . 1 1 38 38 ARG H H 1 8.467 0.04 . 1 . . . A 38 ARG H . 18314 1 454 . 1 1 38 38 ARG HA H 1 4.254 0.04 . 1 . . . A 38 ARG HA . 18314 1 455 . 1 1 38 38 ARG HB2 H 1 1.948 0.04 . 2 . . . A 38 ARG HB2 . 18314 1 456 . 1 1 38 38 ARG HB3 H 1 1.948 0.04 . 2 . . . A 38 ARG HB3 . 18314 1 457 . 1 1 38 38 ARG HG2 H 1 1.808 0.04 . 2 . . . A 38 ARG HG2 . 18314 1 458 . 1 1 38 38 ARG HG3 H 1 1.808 0.04 . 2 . . . A 38 ARG HG3 . 18314 1 459 . 1 1 38 38 ARG HD2 H 1 3.238 0.04 . 2 . . . A 38 ARG HD2 . 18314 1 460 . 1 1 38 38 ARG HD3 H 1 3.238 0.04 . 2 . . . A 38 ARG HD3 . 18314 1 461 . 1 1 38 38 ARG C C 13 174.665 0.4 . 1 . . . A 38 ARG C . 18314 1 462 . 1 1 38 38 ARG CA C 13 54.613 0.4 . 1 . . . A 38 ARG CA . 18314 1 463 . 1 1 38 38 ARG CB C 13 27.679 0.4 . 1 . . . A 38 ARG CB . 18314 1 464 . 1 1 38 38 ARG CG C 13 24.855 0.4 . 1 . . . A 38 ARG CG . 18314 1 465 . 1 1 38 38 ARG CD C 13 40.613 0.4 . 1 . . . A 38 ARG CD . 18314 1 466 . 1 1 38 38 ARG N N 15 122.013 0.4 . 1 . . . A 38 ARG N . 18314 1 467 . 1 1 39 39 ARG H H 1 8.532 0.04 . 1 . . . A 39 ARG H . 18314 1 468 . 1 1 39 39 ARG HA H 1 4.205 0.04 . 1 . . . A 39 ARG HA . 18314 1 469 . 1 1 39 39 ARG HB2 H 1 1.889 0.04 . 2 . . . A 39 ARG HB2 . 18314 1 470 . 1 1 39 39 ARG HB3 H 1 1.889 0.04 . 2 . . . A 39 ARG HB3 . 18314 1 471 . 1 1 39 39 ARG HG2 H 1 1.703 0.04 . 2 . . . A 39 ARG HG2 . 18314 1 472 . 1 1 39 39 ARG HG3 H 1 1.703 0.04 . 2 . . . A 39 ARG HG3 . 18314 1 473 . 1 1 39 39 ARG HD2 H 1 3.153 0.04 . 2 . . . A 39 ARG HD2 . 18314 1 474 . 1 1 39 39 ARG HD3 H 1 3.153 0.04 . 2 . . . A 39 ARG HD3 . 18314 1 475 . 1 1 39 39 ARG C C 13 175.721 0.4 . 1 . . . A 39 ARG C . 18314 1 476 . 1 1 39 39 ARG CA C 13 55.6 0.4 . 1 . . . A 39 ARG CA . 18314 1 477 . 1 1 39 39 ARG CB C 13 26.961 0.4 . 1 . . . A 39 ARG CB . 18314 1 478 . 1 1 39 39 ARG CG C 13 24.507 0.4 . 1 . . . A 39 ARG CG . 18314 1 479 . 1 1 39 39 ARG CD C 13 40.652 0.4 . 1 . . . A 39 ARG CD . 18314 1 480 . 1 1 39 39 ARG N N 15 119.444 0.4 . 1 . . . A 39 ARG N . 18314 1 481 . 1 1 40 40 MET H H 1 8.196 0.04 . 1 . . . A 40 MET H . 18314 1 482 . 1 1 40 40 MET HA H 1 4.45 0.04 . 1 . . . A 40 MET HA . 18314 1 483 . 1 1 40 40 MET HB2 H 1 2.189 0.04 . 2 . . . A 40 MET HB2 . 18314 1 484 . 1 1 40 40 MET HB3 H 1 2.102 0.04 . 2 . . . A 40 MET HB3 . 18314 1 485 . 1 1 40 40 MET HG2 H 1 2.611 0.04 . 2 . . . A 40 MET HG2 . 18314 1 486 . 1 1 40 40 MET HG3 H 1 2.531 0.04 . 2 . . . A 40 MET HG3 . 18314 1 487 . 1 1 40 40 MET HE1 H 1 1.914 0.04 . 1 . . . A 40 MET HE1 . 18314 1 488 . 1 1 40 40 MET HE2 H 1 1.914 0.04 . 1 . . . A 40 MET HE2 . 18314 1 489 . 1 1 40 40 MET HE3 H 1 1.914 0.04 . 1 . . . A 40 MET HE3 . 18314 1 490 . 1 1 40 40 MET C C 13 175.008 0.4 . 1 . . . A 40 MET C . 18314 1 491 . 1 1 40 40 MET CA C 13 53.438 0.4 . 1 . . . A 40 MET CA . 18314 1 492 . 1 1 40 40 MET CB C 13 28.651 0.4 . 1 . . . A 40 MET CB . 18314 1 493 . 1 1 40 40 MET CG C 13 29.749 0.4 . 1 . . . A 40 MET CG . 18314 1 494 . 1 1 40 40 MET CE C 13 14.373 0.4 . 1 . . . A 40 MET CE . 18314 1 495 . 1 1 40 40 MET N N 15 118.425 0.4 . 1 . . . A 40 MET N . 18314 1 496 . 1 1 41 41 GLU H H 1 8.244 0.04 . 1 . . . A 41 GLU H . 18314 1 497 . 1 1 41 41 GLU HA H 1 4.011 0.04 . 1 . . . A 41 GLU HA . 18314 1 498 . 1 1 41 41 GLU HB2 H 1 2.079 0.04 . 2 . . . A 41 GLU HB2 . 18314 1 499 . 1 1 41 41 GLU HB3 H 1 2.079 0.04 . 2 . . . A 41 GLU HB3 . 18314 1 500 . 1 1 41 41 GLU HG2 H 1 2.374 0.04 . 2 . . . A 41 GLU HG2 . 18314 1 501 . 1 1 41 41 GLU HG3 H 1 2.351 0.04 . 2 . . . A 41 GLU HG3 . 18314 1 502 . 1 1 41 41 GLU C C 13 176.58 0.4 . 1 . . . A 41 GLU C . 18314 1 503 . 1 1 41 41 GLU CA C 13 57.107 0.4 . 1 . . . A 41 GLU CA . 18314 1 504 . 1 1 41 41 GLU CB C 13 26.533 0.4 . 1 . . . A 41 GLU CB . 18314 1 505 . 1 1 41 41 GLU CG C 13 33.553 0.4 . 1 . . . A 41 GLU CG . 18314 1 506 . 1 1 41 41 GLU N N 15 119.303 0.4 . 1 . . . A 41 GLU N . 18314 1 507 . 1 1 42 42 ASN H H 1 8.258 0.04 . 1 . . . A 42 ASN H . 18314 1 508 . 1 1 42 42 ASN HA H 1 4.603 0.04 . 1 . . . A 42 ASN HA . 18314 1 509 . 1 1 42 42 ASN HB2 H 1 2.939 0.04 . 2 . . . A 42 ASN HB2 . 18314 1 510 . 1 1 42 42 ASN HB3 H 1 2.819 0.04 . 2 . . . A 42 ASN HB3 . 18314 1 511 . 1 1 42 42 ASN HD21 H 1 6.933 0.04 . 2 . . . A 42 ASN HD21 . 18314 1 512 . 1 1 42 42 ASN HD22 H 1 7.663 0.04 . 2 . . . A 42 ASN HD22 . 18314 1 513 . 1 1 42 42 ASN C C 13 174.812 0.4 . 1 . . . A 42 ASN C . 18314 1 514 . 1 1 42 42 ASN CA C 13 52.865 0.4 . 1 . . . A 42 ASN CA . 18314 1 515 . 1 1 42 42 ASN CB C 13 35.088 0.4 . 1 . . . A 42 ASN CB . 18314 1 516 . 1 1 42 42 ASN N N 15 117.737 0.4 . 1 . . . A 42 ASN N . 18314 1 517 . 1 1 42 42 ASN ND2 N 15 112.089 0.4 . 1 . . . A 42 ASN ND2 . 18314 1 518 . 1 1 43 43 LEU H H 1 7.905 0.04 . 1 . . . A 43 LEU H . 18314 1 519 . 1 1 43 43 LEU HA H 1 4.233 0.04 . 1 . . . A 43 LEU HA . 18314 1 520 . 1 1 43 43 LEU HB2 H 1 1.947 0.04 . 2 . . . A 43 LEU HB2 . 18314 1 521 . 1 1 43 43 LEU HB3 H 1 1.758 0.04 . 2 . . . A 43 LEU HB3 . 18314 1 522 . 1 1 43 43 LEU HG H 1 1.778 0.04 . 1 . . . A 43 LEU HG . 18314 1 523 . 1 1 43 43 LEU HD11 H 1 0.935 0.04 . 2 . . . A 43 LEU HD11 . 18314 1 524 . 1 1 43 43 LEU HD12 H 1 0.935 0.04 . 2 . . . A 43 LEU HD12 . 18314 1 525 . 1 1 43 43 LEU HD13 H 1 0.935 0.04 . 2 . . . A 43 LEU HD13 . 18314 1 526 . 1 1 43 43 LEU HD21 H 1 0.917 0.04 . 2 . . . A 43 LEU HD21 . 18314 1 527 . 1 1 43 43 LEU HD22 H 1 0.917 0.04 . 2 . . . A 43 LEU HD22 . 18314 1 528 . 1 1 43 43 LEU HD23 H 1 0.917 0.04 . 2 . . . A 43 LEU HD23 . 18314 1 529 . 1 1 43 43 LEU C C 13 175.745 0.4 . 1 . . . A 43 LEU C . 18314 1 530 . 1 1 43 43 LEU CA C 13 55.147 0.4 . 1 . . . A 43 LEU CA . 18314 1 531 . 1 1 43 43 LEU CB C 13 38.933 0.4 . 1 . . . A 43 LEU CB . 18314 1 532 . 1 1 43 43 LEU CG C 13 24.596 0.4 . 1 . . . A 43 LEU CG . 18314 1 533 . 1 1 43 43 LEU CD1 C 13 22.336 0.4 . 2 . . . A 43 LEU CD1 . 18314 1 534 . 1 1 43 43 LEU CD2 C 13 22.071 0.4 . 2 . . . A 43 LEU CD2 . 18314 1 535 . 1 1 43 43 LEU N N 15 122.87 0.4 . 1 . . . A 43 LEU N . 18314 1 536 . 1 1 44 44 VAL H H 1 8.367 0.04 . 1 . . . A 44 VAL H . 18314 1 537 . 1 1 44 44 VAL HA H 1 3.521 0.04 . 1 . . . A 44 VAL HA . 18314 1 538 . 1 1 44 44 VAL HB H 1 2.143 0.04 . 1 . . . A 44 VAL HB . 18314 1 539 . 1 1 44 44 VAL HG11 H 1 1.12 0.04 . 2 . . . A 44 VAL HG11 . 18314 1 540 . 1 1 44 44 VAL HG12 H 1 1.12 0.04 . 2 . . . A 44 VAL HG12 . 18314 1 541 . 1 1 44 44 VAL HG13 H 1 1.12 0.04 . 2 . . . A 44 VAL HG13 . 18314 1 542 . 1 1 44 44 VAL HG21 H 1 0.957 0.04 . 2 . . . A 44 VAL HG21 . 18314 1 543 . 1 1 44 44 VAL HG22 H 1 0.957 0.04 . 2 . . . A 44 VAL HG22 . 18314 1 544 . 1 1 44 44 VAL HG23 H 1 0.957 0.04 . 2 . . . A 44 VAL HG23 . 18314 1 545 . 1 1 44 44 VAL C C 13 174.837 0.4 . 1 . . . A 44 VAL C . 18314 1 546 . 1 1 44 44 VAL CA C 13 64.133 0.4 . 1 . . . A 44 VAL CA . 18314 1 547 . 1 1 44 44 VAL CB C 13 28.83 0.4 . 1 . . . A 44 VAL CB . 18314 1 548 . 1 1 44 44 VAL CG1 C 13 20.498 0.4 . 2 . . . A 44 VAL CG1 . 18314 1 549 . 1 1 44 44 VAL CG2 C 13 18.493 0.4 . 2 . . . A 44 VAL CG2 . 18314 1 550 . 1 1 44 44 VAL N N 15 119.731 0.4 . 1 . . . A 44 VAL N . 18314 1 551 . 1 1 45 45 ALA H H 1 7.887 0.04 . 1 . . . A 45 ALA H . 18314 1 552 . 1 1 45 45 ALA HA H 1 4.085 0.04 . 1 . . . A 45 ALA HA . 18314 1 553 . 1 1 45 45 ALA HB1 H 1 1.578 0.04 . 1 . . . A 45 ALA HB1 . 18314 1 554 . 1 1 45 45 ALA HB2 H 1 1.578 0.04 . 1 . . . A 45 ALA HB2 . 18314 1 555 . 1 1 45 45 ALA HB3 H 1 1.578 0.04 . 1 . . . A 45 ALA HB3 . 18314 1 556 . 1 1 45 45 ALA C C 13 178.176 0.4 . 1 . . . A 45 ALA C . 18314 1 557 . 1 1 45 45 ALA CA C 13 52.667 0.4 . 1 . . . A 45 ALA CA . 18314 1 558 . 1 1 45 45 ALA CB C 13 15.185 0.4 . 1 . . . A 45 ALA CB . 18314 1 559 . 1 1 45 45 ALA N N 15 120.681 0.4 . 1 . . . A 45 ALA N . 18314 1 560 . 1 1 46 46 TYR H H 1 7.948 0.04 . 1 . . . A 46 TYR H . 18314 1 561 . 1 1 46 46 TYR HA H 1 4.325 0.04 . 1 . . . A 46 TYR HA . 18314 1 562 . 1 1 46 46 TYR HB2 H 1 3.262 0.04 . 2 . . . A 46 TYR HB2 . 18314 1 563 . 1 1 46 46 TYR HB3 H 1 3.211 0.04 . 2 . . . A 46 TYR HB3 . 18314 1 564 . 1 1 46 46 TYR HD1 H 1 7.036 0.04 . 3 . . . A 46 TYR HD1 . 18314 1 565 . 1 1 46 46 TYR HE2 H 1 6.686 0.04 . 3 . . . A 46 TYR HE2 . 18314 1 566 . 1 1 46 46 TYR C C 13 173.977 0.4 . 1 . . . A 46 TYR C . 18314 1 567 . 1 1 46 46 TYR CA C 13 58.207 0.4 . 1 . . . A 46 TYR CA . 18314 1 568 . 1 1 46 46 TYR CB C 13 35.345 0.4 . 1 . . . A 46 TYR CB . 18314 1 569 . 1 1 46 46 TYR N N 15 120.087 0.4 . 1 . . . A 46 TYR N . 18314 1 570 . 1 1 47 47 ALA H H 1 8.554 0.04 . 1 . . . A 47 ALA H . 18314 1 571 . 1 1 47 47 ALA HA H 1 3.768 0.04 . 1 . . . A 47 ALA HA . 18314 1 572 . 1 1 47 47 ALA HB1 H 1 1.584 0.04 . 1 . . . A 47 ALA HB1 . 18314 1 573 . 1 1 47 47 ALA HB2 H 1 1.584 0.04 . 1 . . . A 47 ALA HB2 . 18314 1 574 . 1 1 47 47 ALA HB3 H 1 1.584 0.04 . 1 . . . A 47 ALA HB3 . 18314 1 575 . 1 1 47 47 ALA C C 13 176.261 0.4 . 1 . . . A 47 ALA C . 18314 1 576 . 1 1 47 47 ALA CA C 13 52.425 0.4 . 1 . . . A 47 ALA CA . 18314 1 577 . 1 1 47 47 ALA CB C 13 17.55 0.4 . 1 . . . A 47 ALA CB . 18314 1 578 . 1 1 47 47 ALA N N 15 122.205 0.4 . 1 . . . A 47 ALA N . 18314 1 579 . 1 1 48 48 LYS H H 1 8.688 0.04 . 1 . . . A 48 LYS H . 18314 1 580 . 1 1 48 48 LYS HA H 1 4.057 0.04 . 1 . . . A 48 LYS HA . 18314 1 581 . 1 1 48 48 LYS HB2 H 1 1.892 0.04 . 2 . . . A 48 LYS HB2 . 18314 1 582 . 1 1 48 48 LYS HB3 H 1 1.892 0.04 . 2 . . . A 48 LYS HB3 . 18314 1 583 . 1 1 48 48 LYS HG2 H 1 1.742 0.04 . 2 . . . A 48 LYS HG2 . 18314 1 584 . 1 1 48 48 LYS HG3 H 1 1.419 0.04 . 2 . . . A 48 LYS HG3 . 18314 1 585 . 1 1 48 48 LYS HD2 H 1 1.701 0.04 . 2 . . . A 48 LYS HD2 . 18314 1 586 . 1 1 48 48 LYS HD3 H 1 1.659 0.04 . 2 . . . A 48 LYS HD3 . 18314 1 587 . 1 1 48 48 LYS HE2 H 1 2.947 0.04 . 2 . . . A 48 LYS HE2 . 18314 1 588 . 1 1 48 48 LYS HE3 H 1 2.878 0.04 . 2 . . . A 48 LYS HE3 . 18314 1 589 . 1 1 48 48 LYS C C 13 177.39 0.4 . 1 . . . A 48 LYS C . 18314 1 590 . 1 1 48 48 LYS CA C 13 56.6 0.4 . 1 . . . A 48 LYS CA . 18314 1 591 . 1 1 48 48 LYS CB C 13 30.002 0.4 . 1 . . . A 48 LYS CB . 18314 1 592 . 1 1 48 48 LYS CG C 13 24.048 0.4 . 1 . . . A 48 LYS CG . 18314 1 593 . 1 1 48 48 LYS CD C 13 26.893 0.4 . 1 . . . A 48 LYS CD . 18314 1 594 . 1 1 48 48 LYS CE C 13 38.862 0.4 . 1 . . . A 48 LYS CE . 18314 1 595 . 1 1 48 48 LYS N N 15 116.038 0.4 . 1 . . . A 48 LYS N . 18314 1 596 . 1 1 49 49 LYS H H 1 7.787 0.04 . 1 . . . A 49 LYS H . 18314 1 597 . 1 1 49 49 LYS HA H 1 4.109 0.04 . 1 . . . A 49 LYS HA . 18314 1 598 . 1 1 49 49 LYS HB2 H 1 2.123 0.04 . 2 . . . A 49 LYS HB2 . 18314 1 599 . 1 1 49 49 LYS HB3 H 1 1.965 0.04 . 2 . . . A 49 LYS HB3 . 18314 1 600 . 1 1 49 49 LYS HG2 H 1 1.494 0.04 . 2 . . . A 49 LYS HG2 . 18314 1 601 . 1 1 49 49 LYS HG3 H 1 1.448 0.04 . 2 . . . A 49 LYS HG3 . 18314 1 602 . 1 1 49 49 LYS HD2 H 1 1.749 0.04 . 2 . . . A 49 LYS HD2 . 18314 1 603 . 1 1 49 49 LYS HD3 H 1 1.685 0.04 . 2 . . . A 49 LYS HD3 . 18314 1 604 . 1 1 49 49 LYS HE2 H 1 3.028 0.04 . 2 . . . A 49 LYS HE2 . 18314 1 605 . 1 1 49 49 LYS HE3 H 1 3.028 0.04 . 2 . . . A 49 LYS HE3 . 18314 1 606 . 1 1 49 49 LYS C C 13 176.04 0.4 . 1 . . . A 49 LYS C . 18314 1 607 . 1 1 49 49 LYS CA C 13 56.413 0.4 . 1 . . . A 49 LYS CA . 18314 1 608 . 1 1 49 49 LYS CB C 13 29.309 0.4 . 1 . . . A 49 LYS CB . 18314 1 609 . 1 1 49 49 LYS CG C 13 22.087 0.4 . 1 . . . A 49 LYS CG . 18314 1 610 . 1 1 49 49 LYS CD C 13 26.108 0.4 . 1 . . . A 49 LYS CD . 18314 1 611 . 1 1 49 49 LYS CE C 13 39.21 0.4 . 1 . . . A 49 LYS CE . 18314 1 612 . 1 1 49 49 LYS N N 15 123.286 0.4 . 1 . . . A 49 LYS N . 18314 1 613 . 1 1 50 50 VAL H H 1 8.138 0.04 . 1 . . . A 50 VAL H . 18314 1 614 . 1 1 50 50 VAL HA H 1 3.763 0.04 . 1 . . . A 50 VAL HA . 18314 1 615 . 1 1 50 50 VAL HB H 1 1.956 0.04 . 1 . . . A 50 VAL HB . 18314 1 616 . 1 1 50 50 VAL HG11 H 1 0.862 0.04 . 2 . . . A 50 VAL HG11 . 18314 1 617 . 1 1 50 50 VAL HG12 H 1 0.862 0.04 . 2 . . . A 50 VAL HG12 . 18314 1 618 . 1 1 50 50 VAL HG13 H 1 0.862 0.04 . 2 . . . A 50 VAL HG13 . 18314 1 619 . 1 1 50 50 VAL HG21 H 1 0.657 0.04 . 2 . . . A 50 VAL HG21 . 18314 1 620 . 1 1 50 50 VAL HG22 H 1 0.657 0.04 . 2 . . . A 50 VAL HG22 . 18314 1 621 . 1 1 50 50 VAL HG23 H 1 0.657 0.04 . 2 . . . A 50 VAL HG23 . 18314 1 622 . 1 1 50 50 VAL C C 13 175.77 0.4 . 1 . . . A 50 VAL C . 18314 1 623 . 1 1 50 50 VAL CA C 13 63.103 0.4 . 1 . . . A 50 VAL CA . 18314 1 624 . 1 1 50 50 VAL CB C 13 28.798 0.4 . 1 . . . A 50 VAL CB . 18314 1 625 . 1 1 50 50 VAL CG1 C 13 19.182 0.4 . 2 . . . A 50 VAL CG1 . 18314 1 626 . 1 1 50 50 VAL CG2 C 13 19.204 0.4 . 2 . . . A 50 VAL CG2 . 18314 1 627 . 1 1 50 50 VAL N N 15 119.334 0.4 . 1 . . . A 50 VAL N . 18314 1 628 . 1 1 51 51 GLU H H 1 8.525 0.04 . 1 . . . A 51 GLU H . 18314 1 629 . 1 1 51 51 GLU HA H 1 3.912 0.04 . 1 . . . A 51 GLU HA . 18314 1 630 . 1 1 51 51 GLU HB2 H 1 2.362 0.04 . 2 . . . A 51 GLU HB2 . 18314 1 631 . 1 1 51 51 GLU HB3 H 1 1.675 0.04 . 2 . . . A 51 GLU HB3 . 18314 1 632 . 1 1 51 51 GLU HG2 H 1 2.533 0.04 . 2 . . . A 51 GLU HG2 . 18314 1 633 . 1 1 51 51 GLU HG3 H 1 2.422 0.04 . 2 . . . A 51 GLU HG3 . 18314 1 634 . 1 1 51 51 GLU C C 13 175.942 0.4 . 1 . . . A 51 GLU C . 18314 1 635 . 1 1 51 51 GLU CA C 13 58.68 0.4 . 1 . . . A 51 GLU CA . 18314 1 636 . 1 1 51 51 GLU CB C 13 26.016 0.4 . 1 . . . A 51 GLU CB . 18314 1 637 . 1 1 51 51 GLU CG C 13 32.721 0.4 . 1 . . . A 51 GLU CG . 18314 1 638 . 1 1 51 51 GLU N N 15 120.288 0.4 . 1 . . . A 51 GLU N . 18314 1 639 . 1 1 52 52 GLY H H 1 8.136 0.04 . 1 . . . A 52 GLY H . 18314 1 640 . 1 1 52 52 GLY HA2 H 1 3.623 0.04 . 2 . . . A 52 GLY HA2 . 18314 1 641 . 1 1 52 52 GLY HA3 H 1 3.939 0.04 . 2 . . . A 52 GLY HA3 . 18314 1 642 . 1 1 52 52 GLY C C 13 173.904 0.4 . 1 . . . A 52 GLY C . 18314 1 643 . 1 1 52 52 GLY CA C 13 44.61 0.4 . 1 . . . A 52 GLY CA . 18314 1 644 . 1 1 52 52 GLY N N 15 106.799 0.4 . 1 . . . A 52 GLY N . 18314 1 645 . 1 1 53 53 ASP H H 1 8.216 0.04 . 1 . . . A 53 ASP H . 18314 1 646 . 1 1 53 53 ASP HA H 1 4.61 0.04 . 1 . . . A 53 ASP HA . 18314 1 647 . 1 1 53 53 ASP HB2 H 1 2.98 0.04 . 2 . . . A 53 ASP HB2 . 18314 1 648 . 1 1 53 53 ASP HB3 H 1 2.774 0.04 . 2 . . . A 53 ASP HB3 . 18314 1 649 . 1 1 53 53 ASP C C 13 177.292 0.4 . 1 . . . A 53 ASP C . 18314 1 650 . 1 1 53 53 ASP CA C 13 54.276 0.4 . 1 . . . A 53 ASP CA . 18314 1 651 . 1 1 53 53 ASP CB C 13 37.403 0.4 . 1 . . . A 53 ASP CB . 18314 1 652 . 1 1 53 53 ASP N N 15 122.458 0.4 . 1 . . . A 53 ASP N . 18314 1 653 . 1 1 54 54 MET H H 1 8.16 0.04 . 1 . . . A 54 MET H . 18314 1 654 . 1 1 54 54 MET HA H 1 4.448 0.04 . 1 . . . A 54 MET HA . 18314 1 655 . 1 1 54 54 MET HB2 H 1 2.499 0.04 . 2 . . . A 54 MET HB2 . 18314 1 656 . 1 1 54 54 MET HB3 H 1 2.183 0.04 . 2 . . . A 54 MET HB3 . 18314 1 657 . 1 1 54 54 MET HG2 H 1 2.87 0.04 . 2 . . . A 54 MET HG2 . 18314 1 658 . 1 1 54 54 MET HG3 H 1 2.763 0.04 . 2 . . . A 54 MET HG3 . 18314 1 659 . 1 1 54 54 MET HE1 H 1 2.041 0.04 . 1 . . . A 54 MET HE1 . 18314 1 660 . 1 1 54 54 MET HE2 H 1 2.041 0.04 . 1 . . . A 54 MET HE2 . 18314 1 661 . 1 1 54 54 MET HE3 H 1 2.041 0.04 . 1 . . . A 54 MET HE3 . 18314 1 662 . 1 1 54 54 MET C C 13 174.984 0.4 . 1 . . . A 54 MET C . 18314 1 663 . 1 1 54 54 MET CA C 13 55.931 0.4 . 1 . . . A 54 MET CA . 18314 1 664 . 1 1 54 54 MET CB C 13 29.526 0.4 . 1 . . . A 54 MET CB . 18314 1 665 . 1 1 54 54 MET CG C 13 30.43 0.4 . 1 . . . A 54 MET CG . 18314 1 666 . 1 1 54 54 MET CE C 13 16.373 0.4 . 1 . . . A 54 MET CE . 18314 1 667 . 1 1 54 54 MET N N 15 120.917 0.4 . 1 . . . A 54 MET N . 18314 1 668 . 1 1 55 55 TYR H H 1 9.332 0.04 . 1 . . . A 55 TYR H . 18314 1 669 . 1 1 55 55 TYR HA H 1 4.372 0.04 . 1 . . . A 55 TYR HA . 18314 1 670 . 1 1 55 55 TYR HB2 H 1 3.57 0.04 . 2 . . . A 55 TYR HB2 . 18314 1 671 . 1 1 55 55 TYR HB3 H 1 3.129 0.04 . 2 . . . A 55 TYR HB3 . 18314 1 672 . 1 1 55 55 TYR HD1 H 1 6.591 0.04 . 3 . . . A 55 TYR HD1 . 18314 1 673 . 1 1 55 55 TYR HE1 H 1 5.987 0.04 . 3 . . . A 55 TYR HE1 . 18314 1 674 . 1 1 55 55 TYR C C 13 175.205 0.4 . 1 . . . A 55 TYR C . 18314 1 675 . 1 1 55 55 TYR CA C 13 59.261 0.4 . 1 . . . A 55 TYR CA . 18314 1 676 . 1 1 55 55 TYR CB C 13 36.197 0.4 . 1 . . . A 55 TYR CB . 18314 1 677 . 1 1 55 55 TYR N N 15 121.289 0.4 . 1 . . . A 55 TYR N . 18314 1 678 . 1 1 56 56 GLU H H 1 8.026 0.04 . 1 . . . A 56 GLU H . 18314 1 679 . 1 1 56 56 GLU HA H 1 4.303 0.04 . 1 . . . A 56 GLU HA . 18314 1 680 . 1 1 56 56 GLU HB2 H 1 2.253 0.04 . 2 . . . A 56 GLU HB2 . 18314 1 681 . 1 1 56 56 GLU HB3 H 1 2.203 0.04 . 2 . . . A 56 GLU HB3 . 18314 1 682 . 1 1 56 56 GLU HG2 H 1 2.593 0.04 . 2 . . . A 56 GLU HG2 . 18314 1 683 . 1 1 56 56 GLU HG3 H 1 2.574 0.04 . 2 . . . A 56 GLU HG3 . 18314 1 684 . 1 1 56 56 GLU C C 13 175.5 0.4 . 1 . . . A 56 GLU C . 18314 1 685 . 1 1 56 56 GLU CA C 13 55.307 0.4 . 1 . . . A 56 GLU CA . 18314 1 686 . 1 1 56 56 GLU CB C 13 27.416 0.4 . 1 . . . A 56 GLU CB . 18314 1 687 . 1 1 56 56 GLU CG C 13 33.573 0.4 . 1 . . . A 56 GLU CG . 18314 1 688 . 1 1 56 56 GLU N N 15 114.558 0.4 . 1 . . . A 56 GLU N . 18314 1 689 . 1 1 57 57 SER H H 1 8.012 0.04 . 1 . . . A 57 SER H . 18314 1 690 . 1 1 57 57 SER HA H 1 4.438 0.04 . 1 . . . A 57 SER HA . 18314 1 691 . 1 1 57 57 SER HB2 H 1 4.012 0.04 . 2 . . . A 57 SER HB2 . 18314 1 692 . 1 1 57 57 SER HB3 H 1 3.972 0.04 . 2 . . . A 57 SER HB3 . 18314 1 693 . 1 1 57 57 SER C C 13 172.701 0.4 . 1 . . . A 57 SER C . 18314 1 694 . 1 1 57 57 SER CA C 13 57.594 0.4 . 1 . . . A 57 SER CA . 18314 1 695 . 1 1 57 57 SER CB C 13 61.623 0.4 . 1 . . . A 57 SER CB . 18314 1 696 . 1 1 57 57 SER N N 15 112.751 0.4 . 1 . . . A 57 SER N . 18314 1 697 . 1 1 58 58 ALA H H 1 8.21 0.04 . 1 . . . A 58 ALA H . 18314 1 698 . 1 1 58 58 ALA HA H 1 4.245 0.04 . 1 . . . A 58 ALA HA . 18314 1 699 . 1 1 58 58 ALA HB1 H 1 1.63 0.04 . 1 . . . A 58 ALA HB1 . 18314 1 700 . 1 1 58 58 ALA HB2 H 1 1.63 0.04 . 1 . . . A 58 ALA HB2 . 18314 1 701 . 1 1 58 58 ALA HB3 H 1 1.63 0.04 . 1 . . . A 58 ALA HB3 . 18314 1 702 . 1 1 58 58 ALA C C 13 175.377 0.4 . 1 . . . A 58 ALA C . 18314 1 703 . 1 1 58 58 ALA CA C 13 50.053 0.4 . 1 . . . A 58 ALA CA . 18314 1 704 . 1 1 58 58 ALA CB C 13 16.741 0.4 . 1 . . . A 58 ALA CB . 18314 1 705 . 1 1 58 58 ALA N N 15 123.837 0.4 . 1 . . . A 58 ALA N . 18314 1 706 . 1 1 59 59 ASN H H 1 9.204 0.04 . 1 . . . A 59 ASN H . 18314 1 707 . 1 1 59 59 ASN HA H 1 5.111 0.04 . 1 . . . A 59 ASN HA . 18314 1 708 . 1 1 59 59 ASN HB2 H 1 2.991 0.04 . 2 . . . A 59 ASN HB2 . 18314 1 709 . 1 1 59 59 ASN HB3 H 1 2.797 0.04 . 2 . . . A 59 ASN HB3 . 18314 1 710 . 1 1 59 59 ASN HD21 H 1 7.055 0.04 . 2 . . . A 59 ASN HD21 . 18314 1 711 . 1 1 59 59 ASN HD22 H 1 8.08 0.04 . 2 . . . A 59 ASN HD22 . 18314 1 712 . 1 1 59 59 ASN C C 13 171.375 0.4 . 1 . . . A 59 ASN C . 18314 1 713 . 1 1 59 59 ASN CA C 13 50.683 0.4 . 1 . . . A 59 ASN CA . 18314 1 714 . 1 1 59 59 ASN CB C 13 37.456 0.4 . 1 . . . A 59 ASN CB . 18314 1 715 . 1 1 59 59 ASN N N 15 117.387 0.4 . 1 . . . A 59 ASN N . 18314 1 716 . 1 1 59 59 ASN ND2 N 15 116.244 0.4 . 1 . . . A 59 ASN ND2 . 18314 1 717 . 1 1 60 60 SER H H 1 6.938 0.04 . 1 . . . A 60 SER H . 18314 1 718 . 1 1 60 60 SER HA H 1 3.777 0.04 . 1 . . . A 60 SER HA . 18314 1 719 . 1 1 60 60 SER HB2 H 1 3.955 0.04 . 2 . . . A 60 SER HB2 . 18314 1 720 . 1 1 60 60 SER HB3 H 1 3.955 0.04 . 2 . . . A 60 SER HB3 . 18314 1 721 . 1 1 60 60 SER C C 13 169.239 0.4 . 1 . . . A 60 SER C . 18314 1 722 . 1 1 60 60 SER CA C 13 53.783 0.4 . 1 . . . A 60 SER CA . 18314 1 723 . 1 1 60 60 SER CB C 13 62.29 0.4 . 1 . . . A 60 SER CB . 18314 1 724 . 1 1 60 60 SER N N 15 111.454 0.4 . 1 . . . A 60 SER N . 18314 1 725 . 1 1 61 61 ARG H H 1 8.712 0.04 . 1 . . . A 61 ARG H . 18314 1 726 . 1 1 61 61 ARG HA H 1 3.264 0.04 . 1 . . . A 61 ARG HA . 18314 1 727 . 1 1 61 61 ARG HB2 H 1 1.977 0.04 . 2 . . . A 61 ARG HB2 . 18314 1 728 . 1 1 61 61 ARG HB3 H 1 1.896 0.04 . 2 . . . A 61 ARG HB3 . 18314 1 729 . 1 1 61 61 ARG HG2 H 1 1.679 0.04 . 2 . . . A 61 ARG HG2 . 18314 1 730 . 1 1 61 61 ARG HG3 H 1 1.657 0.04 . 2 . . . A 61 ARG HG3 . 18314 1 731 . 1 1 61 61 ARG HD2 H 1 3.422 0.04 . 2 . . . A 61 ARG HD2 . 18314 1 732 . 1 1 61 61 ARG HD3 H 1 3.289 0.04 . 2 . . . A 61 ARG HD3 . 18314 1 733 . 1 1 61 61 ARG C C 13 174.346 0.4 . 1 . . . A 61 ARG C . 18314 1 734 . 1 1 61 61 ARG CA C 13 56.196 0.4 . 1 . . . A 61 ARG CA . 18314 1 735 . 1 1 61 61 ARG CB C 13 27.429 0.4 . 1 . . . A 61 ARG CB . 18314 1 736 . 1 1 61 61 ARG CG C 13 24.445 0.4 . 1 . . . A 61 ARG CG . 18314 1 737 . 1 1 61 61 ARG CD C 13 41.045 0.4 . 1 . . . A 61 ARG CD . 18314 1 738 . 1 1 61 61 ARG N N 15 121.891 0.4 . 1 . . . A 61 ARG N . 18314 1 739 . 1 1 62 62 ASP H H 1 8.158 0.04 . 1 . . . A 62 ASP H . 18314 1 740 . 1 1 62 62 ASP HA H 1 4.382 0.04 . 1 . . . A 62 ASP HA . 18314 1 741 . 1 1 62 62 ASP HB2 H 1 2.539 0.04 . 2 . . . A 62 ASP HB2 . 18314 1 742 . 1 1 62 62 ASP HB3 H 1 2.539 0.04 . 2 . . . A 62 ASP HB3 . 18314 1 743 . 1 1 62 62 ASP C C 13 176.04 0.4 . 1 . . . A 62 ASP C . 18314 1 744 . 1 1 62 62 ASP CA C 13 54.56 0.4 . 1 . . . A 62 ASP CA . 18314 1 745 . 1 1 62 62 ASP CB C 13 37.727 0.4 . 1 . . . A 62 ASP CB . 18314 1 746 . 1 1 62 62 ASP N N 15 116.93 0.4 . 1 . . . A 62 ASP N . 18314 1 747 . 1 1 63 63 GLU H H 1 7.812 0.04 . 1 . . . A 63 GLU H . 18314 1 748 . 1 1 63 63 GLU HA H 1 4.02 0.04 . 1 . . . A 63 GLU HA . 18314 1 749 . 1 1 63 63 GLU HG2 H 1 2.368 0.04 . 2 . . . A 63 GLU HG2 . 18314 1 750 . 1 1 63 63 GLU HG3 H 1 2.296 0.04 . 2 . . . A 63 GLU HG3 . 18314 1 751 . 1 1 63 63 GLU C C 13 174.37 0.4 . 1 . . . A 63 GLU C . 18314 1 752 . 1 1 63 63 GLU CA C 13 56.967 0.4 . 1 . . . A 63 GLU CA . 18314 1 753 . 1 1 63 63 GLU CG C 13 34.003 0.4 . 1 . . . A 63 GLU CG . 18314 1 754 . 1 1 63 63 GLU N N 15 121.169 0.4 . 1 . . . A 63 GLU N . 18314 1 755 . 1 1 64 64 TYR H H 1 7.38 0.04 . 1 . . . A 64 TYR H . 18314 1 756 . 1 1 64 64 TYR HA H 1 4.01 0.04 . 1 . . . A 64 TYR HA . 18314 1 757 . 1 1 64 64 TYR HB2 H 1 2.846 0.04 . 2 . . . A 64 TYR HB2 . 18314 1 758 . 1 1 64 64 TYR HB3 H 1 2.656 0.04 . 2 . . . A 64 TYR HB3 . 18314 1 759 . 1 1 64 64 TYR HD2 H 1 6.866 0.04 . 3 . . . A 64 TYR HD2 . 18314 1 760 . 1 1 64 64 TYR HE1 H 1 7.163 0.04 . 3 . . . A 64 TYR HE1 . 18314 1 761 . 1 1 64 64 TYR HE2 H 1 7.163 0.04 . 3 . . . A 64 TYR HE2 . 18314 1 762 . 1 1 64 64 TYR C C 13 173.315 0.4 . 1 . . . A 64 TYR C . 18314 1 763 . 1 1 64 64 TYR CA C 13 58.106 0.4 . 1 . . . A 64 TYR CA . 18314 1 764 . 1 1 64 64 TYR CB C 13 36.026 0.4 . 1 . . . A 64 TYR CB . 18314 1 765 . 1 1 64 64 TYR N N 15 121.536 0.4 . 1 . . . A 64 TYR N . 18314 1 766 . 1 1 65 65 TYR H H 1 8.125 0.04 . 1 . . . A 65 TYR H . 18314 1 767 . 1 1 65 65 TYR HA H 1 3.994 0.04 . 1 . . . A 65 TYR HA . 18314 1 768 . 1 1 65 65 TYR HB2 H 1 3.122 0.04 . 2 . . . A 65 TYR HB2 . 18314 1 769 . 1 1 65 65 TYR HB3 H 1 3.017 0.04 . 2 . . . A 65 TYR HB3 . 18314 1 770 . 1 1 65 65 TYR HD2 H 1 7.163 0.04 . 3 . . . A 65 TYR HD2 . 18314 1 771 . 1 1 65 65 TYR HE2 H 1 6.866 0.04 . 3 . . . A 65 TYR HE2 . 18314 1 772 . 1 1 65 65 TYR C C 13 176.089 0.4 . 1 . . . A 65 TYR C . 18314 1 773 . 1 1 65 65 TYR CA C 13 58.106 0.4 . 1 . . . A 65 TYR CA . 18314 1 774 . 1 1 65 65 TYR CB C 13 35.063 0.4 . 1 . . . A 65 TYR CB . 18314 1 775 . 1 1 65 65 TYR N N 15 115.653 0.4 . 1 . . . A 65 TYR N . 18314 1 776 . 1 1 66 66 HIS H H 1 8.284 0.04 . 1 . . . A 66 HIS H . 18314 1 777 . 1 1 66 66 HIS HA H 1 4.313 0.04 . 1 . . . A 66 HIS HA . 18314 1 778 . 1 1 66 66 HIS HB2 H 1 3.41 0.04 . 2 . . . A 66 HIS HB2 . 18314 1 779 . 1 1 66 66 HIS HB3 H 1 3.358 0.04 . 2 . . . A 66 HIS HB3 . 18314 1 780 . 1 1 66 66 HIS HD2 H 1 7.174 0.04 . 1 . . . A 66 HIS HD2 . 18314 1 781 . 1 1 66 66 HIS C C 13 174.37 0.4 . 1 . . . A 66 HIS C . 18314 1 782 . 1 1 66 66 HIS CA C 13 56.954 0.4 . 1 . . . A 66 HIS CA . 18314 1 783 . 1 1 66 66 HIS CB C 13 26.053 0.4 . 1 . . . A 66 HIS CB . 18314 1 784 . 1 1 66 66 HIS N N 15 117.92 0.4 . 1 . . . A 66 HIS N . 18314 1 785 . 1 1 67 67 LEU H H 1 9.048 0.04 . 1 . . . A 67 LEU H . 18314 1 786 . 1 1 67 67 LEU HA H 1 4.012 0.04 . 1 . . . A 67 LEU HA . 18314 1 787 . 1 1 67 67 LEU HB2 H 1 2.078 0.04 . 2 . . . A 67 LEU HB2 . 18314 1 788 . 1 1 67 67 LEU HB3 H 1 1.625 0.04 . 2 . . . A 67 LEU HB3 . 18314 1 789 . 1 1 67 67 LEU HG H 1 2.065 0.04 . 1 . . . A 67 LEU HG . 18314 1 790 . 1 1 67 67 LEU HD11 H 1 1.032 0.04 . 2 . . . A 67 LEU HD11 . 18314 1 791 . 1 1 67 67 LEU HD12 H 1 1.032 0.04 . 2 . . . A 67 LEU HD12 . 18314 1 792 . 1 1 67 67 LEU HD13 H 1 1.032 0.04 . 2 . . . A 67 LEU HD13 . 18314 1 793 . 1 1 67 67 LEU HD21 H 1 0.993 0.04 . 2 . . . A 67 LEU HD21 . 18314 1 794 . 1 1 67 67 LEU HD22 H 1 0.993 0.04 . 2 . . . A 67 LEU HD22 . 18314 1 795 . 1 1 67 67 LEU HD23 H 1 0.993 0.04 . 2 . . . A 67 LEU HD23 . 18314 1 796 . 1 1 67 67 LEU C C 13 178.004 0.4 . 1 . . . A 67 LEU C . 18314 1 797 . 1 1 67 67 LEU CA C 13 55.247 0.4 . 1 . . . A 67 LEU CA . 18314 1 798 . 1 1 67 67 LEU CB C 13 39.051 0.4 . 1 . . . A 67 LEU CB . 18314 1 799 . 1 1 67 67 LEU CG C 13 24.157 0.4 . 1 . . . A 67 LEU CG . 18314 1 800 . 1 1 67 67 LEU CD1 C 13 23.128 0.4 . 2 . . . A 67 LEU CD1 . 18314 1 801 . 1 1 67 67 LEU CD2 C 13 19.493 0.4 . 2 . . . A 67 LEU CD2 . 18314 1 802 . 1 1 67 67 LEU N N 15 120.715 0.4 . 1 . . . A 67 LEU N . 18314 1 803 . 1 1 68 68 LEU H H 1 7.854 0.04 . 1 . . . A 68 LEU H . 18314 1 804 . 1 1 68 68 LEU HA H 1 3.877 0.04 . 1 . . . A 68 LEU HA . 18314 1 805 . 1 1 68 68 LEU HB2 H 1 1.689 0.04 . 2 . . . A 68 LEU HB2 . 18314 1 806 . 1 1 68 68 LEU HB3 H 1 1.328 0.04 . 2 . . . A 68 LEU HB3 . 18314 1 807 . 1 1 68 68 LEU HG H 1 1.582 0.04 . 1 . . . A 68 LEU HG . 18314 1 808 . 1 1 68 68 LEU HD11 H 1 0.78 0.04 . 2 . . . A 68 LEU HD11 . 18314 1 809 . 1 1 68 68 LEU HD12 H 1 0.78 0.04 . 2 . . . A 68 LEU HD12 . 18314 1 810 . 1 1 68 68 LEU HD13 H 1 0.78 0.04 . 2 . . . A 68 LEU HD13 . 18314 1 811 . 1 1 68 68 LEU HD21 H 1 0.581 0.04 . 2 . . . A 68 LEU HD21 . 18314 1 812 . 1 1 68 68 LEU HD22 H 1 0.581 0.04 . 2 . . . A 68 LEU HD22 . 18314 1 813 . 1 1 68 68 LEU HD23 H 1 0.581 0.04 . 2 . . . A 68 LEU HD23 . 18314 1 814 . 1 1 68 68 LEU C C 13 175.426 0.4 . 1 . . . A 68 LEU C . 18314 1 815 . 1 1 68 68 LEU CA C 13 55.107 0.4 . 1 . . . A 68 LEU CA . 18314 1 816 . 1 1 68 68 LEU CB C 13 39.147 0.4 . 1 . . . A 68 LEU CB . 18314 1 817 . 1 1 68 68 LEU CG C 13 24.932 0.4 . 1 . . . A 68 LEU CG . 18314 1 818 . 1 1 68 68 LEU CD1 C 13 22.079 0.4 . 2 . . . A 68 LEU CD1 . 18314 1 819 . 1 1 68 68 LEU CD2 C 13 22.938 0.4 . 2 . . . A 68 LEU CD2 . 18314 1 820 . 1 1 68 68 LEU N N 15 120.455 0.4 . 1 . . . A 68 LEU N . 18314 1 821 . 1 1 69 69 ALA H H 1 8.151 0.04 . 1 . . . A 69 ALA H . 18314 1 822 . 1 1 69 69 ALA HA H 1 3.897 0.04 . 1 . . . A 69 ALA HA . 18314 1 823 . 1 1 69 69 ALA HB1 H 1 1.447 0.04 . 1 . . . A 69 ALA HB1 . 18314 1 824 . 1 1 69 69 ALA HB2 H 1 1.447 0.04 . 1 . . . A 69 ALA HB2 . 18314 1 825 . 1 1 69 69 ALA HB3 H 1 1.447 0.04 . 1 . . . A 69 ALA HB3 . 18314 1 826 . 1 1 69 69 ALA C C 13 177.341 0.4 . 1 . . . A 69 ALA C . 18314 1 827 . 1 1 69 69 ALA CA C 13 52.6 0.4 . 1 . . . A 69 ALA CA . 18314 1 828 . 1 1 69 69 ALA CB C 13 15.404 0.4 . 1 . . . A 69 ALA CB . 18314 1 829 . 1 1 69 69 ALA N N 15 120.77 0.4 . 1 . . . A 69 ALA N . 18314 1 830 . 1 1 70 70 GLU H H 1 8.299 0.04 . 1 . . . A 70 GLU H . 18314 1 831 . 1 1 70 70 GLU HA H 1 4.067 0.04 . 1 . . . A 70 GLU HA . 18314 1 832 . 1 1 70 70 GLU HB2 H 1 2.038 0.04 . 2 . . . A 70 GLU HB2 . 18314 1 833 . 1 1 70 70 GLU HB3 H 1 2.038 0.04 . 2 . . . A 70 GLU HB3 . 18314 1 834 . 1 1 70 70 GLU HG2 H 1 2.365 0.04 . 2 . . . A 70 GLU HG2 . 18314 1 835 . 1 1 70 70 GLU HG3 H 1 2.251 0.04 . 2 . . . A 70 GLU HG3 . 18314 1 836 . 1 1 70 70 GLU C C 13 177.931 0.4 . 1 . . . A 70 GLU C . 18314 1 837 . 1 1 70 70 GLU CA C 13 56.405 0.4 . 1 . . . A 70 GLU CA . 18314 1 838 . 1 1 70 70 GLU CB C 13 27.008 0.4 . 1 . . . A 70 GLU CB . 18314 1 839 . 1 1 70 70 GLU CG C 13 33.757 0.4 . 1 . . . A 70 GLU CG . 18314 1 840 . 1 1 70 70 GLU N N 15 117.527 0.4 . 1 . . . A 70 GLU N . 18314 1 841 . 1 1 71 71 LYS H H 1 7.921 0.04 . 1 . . . A 71 LYS H . 18314 1 842 . 1 1 71 71 LYS HA H 1 4.188 0.04 . 1 . . . A 71 LYS HA . 18314 1 843 . 1 1 71 71 LYS HB2 H 1 2.035 0.04 . 2 . . . A 71 LYS HB2 . 18314 1 844 . 1 1 71 71 LYS HB3 H 1 2.035 0.04 . 2 . . . A 71 LYS HB3 . 18314 1 845 . 1 1 71 71 LYS HG2 H 1 1.517 0.04 . 2 . . . A 71 LYS HG2 . 18314 1 846 . 1 1 71 71 LYS HG3 H 1 1.517 0.04 . 2 . . . A 71 LYS HG3 . 18314 1 847 . 1 1 71 71 LYS HD2 H 1 1.887 0.04 . 2 . . . A 71 LYS HD2 . 18314 1 848 . 1 1 71 71 LYS HD3 H 1 1.887 0.04 . 2 . . . A 71 LYS HD3 . 18314 1 849 . 1 1 71 71 LYS HE2 H 1 2.972 0.04 . 2 . . . A 71 LYS HE2 . 18314 1 850 . 1 1 71 71 LYS HE3 H 1 2.972 0.04 . 2 . . . A 71 LYS HE3 . 18314 1 851 . 1 1 71 71 LYS C C 13 174.96 0.4 . 1 . . . A 71 LYS C . 18314 1 852 . 1 1 71 71 LYS CA C 13 55.184 0.4 . 1 . . . A 71 LYS CA . 18314 1 853 . 1 1 71 71 LYS CB C 13 28.987 0.4 . 1 . . . A 71 LYS CB . 18314 1 854 . 1 1 71 71 LYS CG C 13 21.555 0.4 . 1 . . . A 71 LYS CG . 18314 1 855 . 1 1 71 71 LYS CD C 13 25.405 0.4 . 1 . . . A 71 LYS CD . 18314 1 856 . 1 1 71 71 LYS CE C 13 39.085 0.4 . 1 . . . A 71 LYS CE . 18314 1 857 . 1 1 71 71 LYS N N 15 119.753 0.4 . 1 . . . A 71 LYS N . 18314 1 858 . 1 1 72 72 ILE H H 1 8.239 0.04 . 1 . . . A 72 ILE H . 18314 1 859 . 1 1 72 72 ILE HA H 1 3.511 0.04 . 1 . . . A 72 ILE HA . 18314 1 860 . 1 1 72 72 ILE HB H 1 1.905 0.04 . 1 . . . A 72 ILE HB . 18314 1 861 . 1 1 72 72 ILE HG12 H 1 0.894 0.04 . 2 . . . A 72 ILE HG12 . 18314 1 862 . 1 1 72 72 ILE HG13 H 1 0.894 0.04 . 2 . . . A 72 ILE HG13 . 18314 1 863 . 1 1 72 72 ILE HG21 H 1 0.856 0.04 . 1 . . . A 72 ILE HG21 . 18314 1 864 . 1 1 72 72 ILE HG22 H 1 0.856 0.04 . 1 . . . A 72 ILE HG22 . 18314 1 865 . 1 1 72 72 ILE HG23 H 1 0.856 0.04 . 1 . . . A 72 ILE HG23 . 18314 1 866 . 1 1 72 72 ILE HD11 H 1 0.75 0.04 . 1 . . . A 72 ILE HD11 . 18314 1 867 . 1 1 72 72 ILE HD12 H 1 0.75 0.04 . 1 . . . A 72 ILE HD12 . 18314 1 868 . 1 1 72 72 ILE HD13 H 1 0.75 0.04 . 1 . . . A 72 ILE HD13 . 18314 1 869 . 1 1 72 72 ILE C C 13 174.518 0.4 . 1 . . . A 72 ILE C . 18314 1 870 . 1 1 72 72 ILE CA C 13 63.283 0.4 . 1 . . . A 72 ILE CA . 18314 1 871 . 1 1 72 72 ILE CB C 13 35.069 0.4 . 1 . . . A 72 ILE CB . 18314 1 872 . 1 1 72 72 ILE CG1 C 13 28.043 0.4 . 1 . . . A 72 ILE CG1 . 18314 1 873 . 1 1 72 72 ILE CG2 C 13 14.582 0.4 . 1 . . . A 72 ILE CG2 . 18314 1 874 . 1 1 72 72 ILE CD1 C 13 10.804 0.4 . 1 . . . A 72 ILE CD1 . 18314 1 875 . 1 1 72 72 ILE N N 15 118.881 0.4 . 1 . . . A 72 ILE N . 18314 1 876 . 1 1 73 73 TYR H H 1 7.954 0.04 . 1 . . . A 73 TYR H . 18314 1 877 . 1 1 73 73 TYR HA H 1 4.308 0.04 . 1 . . . A 73 TYR HA . 18314 1 878 . 1 1 73 73 TYR HB2 H 1 3.209 0.04 . 2 . . . A 73 TYR HB2 . 18314 1 879 . 1 1 73 73 TYR HB3 H 1 3.154 0.04 . 2 . . . A 73 TYR HB3 . 18314 1 880 . 1 1 73 73 TYR HD1 H 1 7.174 0.04 . 3 . . . A 73 TYR HD1 . 18314 1 881 . 1 1 73 73 TYR HE1 H 1 6.834 0.04 . 3 . . . A 73 TYR HE1 . 18314 1 882 . 1 1 73 73 TYR C C 13 175.672 0.4 . 1 . . . A 73 TYR C . 18314 1 883 . 1 1 73 73 TYR CA C 13 58.207 0.4 . 1 . . . A 73 TYR CA . 18314 1 884 . 1 1 73 73 TYR CB C 13 35.287 0.4 . 1 . . . A 73 TYR CB . 18314 1 885 . 1 1 73 73 TYR N N 15 118.976 0.4 . 1 . . . A 73 TYR N . 18314 1 886 . 1 1 74 74 LYS H H 1 8.227 0.04 . 1 . . . A 74 LYS H . 18314 1 887 . 1 1 74 74 LYS HA H 1 3.889 0.04 . 1 . . . A 74 LYS HA . 18314 1 888 . 1 1 74 74 LYS HB2 H 1 2.081 0.04 . 2 . . . A 74 LYS HB2 . 18314 1 889 . 1 1 74 74 LYS HB3 H 1 2.015 0.04 . 2 . . . A 74 LYS HB3 . 18314 1 890 . 1 1 74 74 LYS HG2 H 1 1.762 0.04 . 2 . . . A 74 LYS HG2 . 18314 1 891 . 1 1 74 74 LYS HG3 H 1 1.543 0.04 . 2 . . . A 74 LYS HG3 . 18314 1 892 . 1 1 74 74 LYS HD2 H 1 1.755 0.04 . 2 . . . A 74 LYS HD2 . 18314 1 893 . 1 1 74 74 LYS HD3 H 1 1.755 0.04 . 2 . . . A 74 LYS HD3 . 18314 1 894 . 1 1 74 74 LYS HE2 H 1 3.054 0.04 . 2 . . . A 74 LYS HE2 . 18314 1 895 . 1 1 74 74 LYS HE3 H 1 3.054 0.04 . 2 . . . A 74 LYS HE3 . 18314 1 896 . 1 1 74 74 LYS C C 13 176.826 0.4 . 1 . . . A 74 LYS C . 18314 1 897 . 1 1 74 74 LYS CA C 13 57 0.4 . 1 . . . A 74 LYS CA . 18314 1 898 . 1 1 74 74 LYS CB C 13 29.969 0.4 . 1 . . . A 74 LYS CB . 18314 1 899 . 1 1 74 74 LYS CG C 13 23.048 0.4 . 1 . . . A 74 LYS CG . 18314 1 900 . 1 1 74 74 LYS CD C 13 26.646 0.4 . 1 . . . A 74 LYS CD . 18314 1 901 . 1 1 74 74 LYS CE C 13 39.341 0.4 . 1 . . . A 74 LYS CE . 18314 1 902 . 1 1 74 74 LYS N N 15 118.853 0.4 . 1 . . . A 74 LYS N . 18314 1 903 . 1 1 75 75 ILE H H 1 8.361 0.04 . 1 . . . A 75 ILE H . 18314 1 904 . 1 1 75 75 ILE HA H 1 3.795 0.04 . 1 . . . A 75 ILE HA . 18314 1 905 . 1 1 75 75 ILE HB H 1 1.983 0.04 . 1 . . . A 75 ILE HB . 18314 1 906 . 1 1 75 75 ILE HG12 H 1 1.164 0.04 . 2 . . . A 75 ILE HG12 . 18314 1 907 . 1 1 75 75 ILE HG13 H 1 1.164 0.04 . 2 . . . A 75 ILE HG13 . 18314 1 908 . 1 1 75 75 ILE HG21 H 1 0.909 0.04 . 1 . . . A 75 ILE HG21 . 18314 1 909 . 1 1 75 75 ILE HG22 H 1 0.909 0.04 . 1 . . . A 75 ILE HG22 . 18314 1 910 . 1 1 75 75 ILE HG23 H 1 0.909 0.04 . 1 . . . A 75 ILE HG23 . 18314 1 911 . 1 1 75 75 ILE HD11 H 1 0.903 0.04 . 1 . . . A 75 ILE HD11 . 18314 1 912 . 1 1 75 75 ILE HD12 H 1 0.903 0.04 . 1 . . . A 75 ILE HD12 . 18314 1 913 . 1 1 75 75 ILE HD13 H 1 0.903 0.04 . 1 . . . A 75 ILE HD13 . 18314 1 914 . 1 1 75 75 ILE C C 13 175.131 0.4 . 1 . . . A 75 ILE C . 18314 1 915 . 1 1 75 75 ILE CA C 13 62.428 0.4 . 1 . . . A 75 ILE CA . 18314 1 916 . 1 1 75 75 ILE CB C 13 35.443 0.4 . 1 . . . A 75 ILE CB . 18314 1 917 . 1 1 75 75 ILE CG1 C 13 26.53 0.4 . 1 . . . A 75 ILE CG1 . 18314 1 918 . 1 1 75 75 ILE CG2 C 13 15.115 0.4 . 1 . . . A 75 ILE CG2 . 18314 1 919 . 1 1 75 75 ILE CD1 C 13 11.489 0.4 . 1 . . . A 75 ILE CD1 . 18314 1 920 . 1 1 75 75 ILE N N 15 120.671 0.4 . 1 . . . A 75 ILE N . 18314 1 921 . 1 1 76 76 GLN H H 1 8.369 0.04 . 1 . . . A 76 GLN H . 18314 1 922 . 1 1 76 76 GLN HA H 1 3.996 0.04 . 1 . . . A 76 GLN HA . 18314 1 923 . 1 1 76 76 GLN HB2 H 1 2.311 0.04 . 2 . . . A 76 GLN HB2 . 18314 1 924 . 1 1 76 76 GLN HB3 H 1 2.065 0.04 . 2 . . . A 76 GLN HB3 . 18314 1 925 . 1 1 76 76 GLN HG2 H 1 2.675 0.04 . 2 . . . A 76 GLN HG2 . 18314 1 926 . 1 1 76 76 GLN HG3 H 1 2.394 0.04 . 2 . . . A 76 GLN HG3 . 18314 1 927 . 1 1 76 76 GLN HE21 H 1 6.692 0.04 . 2 . . . A 76 GLN HE21 . 18314 1 928 . 1 1 76 76 GLN HE22 H 1 7.308 0.04 . 2 . . . A 76 GLN HE22 . 18314 1 929 . 1 1 76 76 GLN C C 13 176.58 0.4 . 1 . . . A 76 GLN C . 18314 1 930 . 1 1 76 76 GLN CA C 13 56.813 0.4 . 1 . . . A 76 GLN CA . 18314 1 931 . 1 1 76 76 GLN CB C 13 25.469 0.4 . 1 . . . A 76 GLN CB . 18314 1 932 . 1 1 76 76 GLN CG C 13 31.565 0.4 . 1 . . . A 76 GLN CG . 18314 1 933 . 1 1 76 76 GLN N N 15 118.685 0.4 . 1 . . . A 76 GLN N . 18314 1 934 . 1 1 76 76 GLN NE2 N 15 110.104 0.4 . 1 . . . A 76 GLN NE2 . 18314 1 935 . 1 1 77 77 LYS H H 1 8.205 0.04 . 1 . . . A 77 LYS H . 18314 1 936 . 1 1 77 77 LYS HA H 1 4.028 0.04 . 1 . . . A 77 LYS HA . 18314 1 937 . 1 1 77 77 LYS HB2 H 1 1.792 0.04 . 2 . . . A 77 LYS HB2 . 18314 1 938 . 1 1 77 77 LYS HB3 H 1 1.73 0.04 . 2 . . . A 77 LYS HB3 . 18314 1 939 . 1 1 77 77 LYS HG2 H 1 1.335 0.04 . 2 . . . A 77 LYS HG2 . 18314 1 940 . 1 1 77 77 LYS HG3 H 1 1.277 0.04 . 2 . . . A 77 LYS HG3 . 18314 1 941 . 1 1 77 77 LYS HD2 H 1 1.621 0.04 . 2 . . . A 77 LYS HD2 . 18314 1 942 . 1 1 77 77 LYS HD3 H 1 1.587 0.04 . 2 . . . A 77 LYS HD3 . 18314 1 943 . 1 1 77 77 LYS HE2 H 1 2.961 0.04 . 2 . . . A 77 LYS HE2 . 18314 1 944 . 1 1 77 77 LYS HE3 H 1 2.872 0.04 . 2 . . . A 77 LYS HE3 . 18314 1 945 . 1 1 77 77 LYS C C 13 176.359 0.4 . 1 . . . A 77 LYS C . 18314 1 946 . 1 1 77 77 LYS CA C 13 55.76 0.4 . 1 . . . A 77 LYS CA . 18314 1 947 . 1 1 77 77 LYS CB C 13 29.093 0.4 . 1 . . . A 77 LYS CB . 18314 1 948 . 1 1 77 77 LYS CG C 13 21.502 0.4 . 1 . . . A 77 LYS CG . 18314 1 949 . 1 1 77 77 LYS CD C 13 25.751 0.4 . 1 . . . A 77 LYS CD . 18314 1 950 . 1 1 77 77 LYS CE C 13 39.042 0.4 . 1 . . . A 77 LYS CE . 18314 1 951 . 1 1 77 77 LYS N N 15 119.639 0.4 . 1 . . . A 77 LYS N . 18314 1 952 . 1 1 78 78 GLU H H 1 8.102 0.04 . 1 . . . A 78 GLU H . 18314 1 953 . 1 1 78 78 GLU HA H 1 4.09 0.04 . 1 . . . A 78 GLU HA . 18314 1 954 . 1 1 78 78 GLU HB2 H 1 2.193 0.04 . 2 . . . A 78 GLU HB2 . 18314 1 955 . 1 1 78 78 GLU HB3 H 1 2.13 0.04 . 2 . . . A 78 GLU HB3 . 18314 1 956 . 1 1 78 78 GLU HG2 H 1 2.436 0.04 . 2 . . . A 78 GLU HG2 . 18314 1 957 . 1 1 78 78 GLU HG3 H 1 2.33 0.04 . 2 . . . A 78 GLU HG3 . 18314 1 958 . 1 1 78 78 GLU C C 13 176.678 0.4 . 1 . . . A 78 GLU C . 18314 1 959 . 1 1 78 78 GLU CA C 13 56.173 0.4 . 1 . . . A 78 GLU CA . 18314 1 960 . 1 1 78 78 GLU CB C 13 26.691 0.4 . 1 . . . A 78 GLU CB . 18314 1 961 . 1 1 78 78 GLU CG C 13 33.569 0.4 . 1 . . . A 78 GLU CG . 18314 1 962 . 1 1 78 78 GLU N N 15 120.496 0.4 . 1 . . . A 78 GLU N . 18314 1 963 . 1 1 79 79 LEU H H 1 8.258 0.04 . 1 . . . A 79 LEU H . 18314 1 964 . 1 1 79 79 LEU HA H 1 4.104 0.04 . 1 . . . A 79 LEU HA . 18314 1 965 . 1 1 79 79 LEU HB2 H 1 1.937 0.04 . 2 . . . A 79 LEU HB2 . 18314 1 966 . 1 1 79 79 LEU HB3 H 1 1.619 0.04 . 2 . . . A 79 LEU HB3 . 18314 1 967 . 1 1 79 79 LEU HG H 1 1.866 0.04 . 1 . . . A 79 LEU HG . 18314 1 968 . 1 1 79 79 LEU HD11 H 1 0.976 0.04 . 2 . . . A 79 LEU HD11 . 18314 1 969 . 1 1 79 79 LEU HD12 H 1 0.976 0.04 . 2 . . . A 79 LEU HD12 . 18314 1 970 . 1 1 79 79 LEU HD13 H 1 0.976 0.04 . 2 . . . A 79 LEU HD13 . 18314 1 971 . 1 1 79 79 LEU HD21 H 1 0.904 0.04 . 2 . . . A 79 LEU HD21 . 18314 1 972 . 1 1 79 79 LEU HD22 H 1 0.904 0.04 . 2 . . . A 79 LEU HD22 . 18314 1 973 . 1 1 79 79 LEU HD23 H 1 0.904 0.04 . 2 . . . A 79 LEU HD23 . 18314 1 974 . 1 1 79 79 LEU C C 13 176.85 0.4 . 1 . . . A 79 LEU C . 18314 1 975 . 1 1 79 79 LEU CA C 13 54.96 0.4 . 1 . . . A 79 LEU CA . 18314 1 976 . 1 1 79 79 LEU CB C 13 38.857 0.4 . 1 . . . A 79 LEU CB . 18314 1 977 . 1 1 79 79 LEU CG C 13 24.405 0.4 . 1 . . . A 79 LEU CG . 18314 1 978 . 1 1 79 79 LEU CD1 C 13 23.138 0.4 . 2 . . . A 79 LEU CD1 . 18314 1 979 . 1 1 79 79 LEU CD2 C 13 20.67 0.4 . 2 . . . A 79 LEU CD2 . 18314 1 980 . 1 1 79 79 LEU N N 15 119.773 0.4 . 1 . . . A 79 LEU N . 18314 1 981 . 1 1 80 80 GLU H H 1 8.008 0.04 . 1 . . . A 80 GLU H . 18314 1 982 . 1 1 80 80 GLU HG2 H 1 2.3 0.04 . 2 . . . A 80 GLU HG2 . 18314 1 983 . 1 1 80 80 GLU HG3 H 1 2.174 0.04 . 2 . . . A 80 GLU HG3 . 18314 1 984 . 1 1 80 80 GLU C C 13 176.285 0.4 . 1 . . . A 80 GLU C . 18314 1 985 . 1 1 80 80 GLU CG C 13 33.883 0.4 . 1 . . . A 80 GLU CG . 18314 1 986 . 1 1 80 80 GLU N N 15 120.071 0.4 . 1 . . . A 80 GLU N . 18314 1 987 . 1 1 81 81 GLU HA H 1 4.107 0.04 . 1 . . . A 81 GLU HA . 18314 1 988 . 1 1 81 81 GLU HB2 H 1 2.099 0.04 . 2 . . . A 81 GLU HB2 . 18314 1 989 . 1 1 81 81 GLU HB3 H 1 2.099 0.04 . 2 . . . A 81 GLU HB3 . 18314 1 990 . 1 1 81 81 GLU HG2 H 1 2.48 0.04 . 2 . . . A 81 GLU HG2 . 18314 1 991 . 1 1 81 81 GLU HG3 H 1 2.249 0.04 . 2 . . . A 81 GLU HG3 . 18314 1 992 . 1 1 81 81 GLU C C 13 176.065 0.4 . 1 . . . A 81 GLU C . 18314 1 993 . 1 1 81 81 GLU CA C 13 56.373 0.4 . 1 . . . A 81 GLU CA . 18314 1 994 . 1 1 81 81 GLU CB C 13 26.969 0.4 . 1 . . . A 81 GLU CB . 18314 1 995 . 1 1 81 81 GLU CG C 13 33.755 0.4 . 1 . . . A 81 GLU CG . 18314 1 996 . 1 1 82 82 LYS HA H 1 4.174 0.04 . 1 . . . A 82 LYS HA . 18314 1 997 . 1 1 82 82 LYS HB2 H 1 1.945 0.04 . 2 . . . A 82 LYS HB2 . 18314 1 998 . 1 1 82 82 LYS HB3 H 1 1.945 0.04 . 2 . . . A 82 LYS HB3 . 18314 1 999 . 1 1 82 82 LYS HG2 H 1 1.628 0.04 . 2 . . . A 82 LYS HG2 . 18314 1 1000 . 1 1 82 82 LYS HG3 H 1 1.546 0.04 . 2 . . . A 82 LYS HG3 . 18314 1 1001 . 1 1 82 82 LYS HD2 H 1 1.736 0.04 . 2 . . . A 82 LYS HD2 . 18314 1 1002 . 1 1 82 82 LYS HD3 H 1 1.736 0.04 . 2 . . . A 82 LYS HD3 . 18314 1 1003 . 1 1 82 82 LYS HE2 H 1 3.009 0.04 . 2 . . . A 82 LYS HE2 . 18314 1 1004 . 1 1 82 82 LYS HE3 H 1 3.009 0.04 . 2 . . . A 82 LYS HE3 . 18314 1 1005 . 1 1 82 82 LYS C C 13 176.261 0.4 . 1 . . . A 82 LYS C . 18314 1 1006 . 1 1 82 82 LYS CA C 13 55.453 0.4 . 1 . . . A 82 LYS CA . 18314 1 1007 . 1 1 82 82 LYS CB C 13 27.001 0.4 . 1 . . . A 82 LYS CB . 18314 1 1008 . 1 1 82 82 LYS CG C 13 22.6 0.4 . 1 . . . A 82 LYS CG . 18314 1 1009 . 1 1 82 82 LYS CD C 13 25.429 0.4 . 1 . . . A 82 LYS CD . 18314 1 1010 . 1 1 82 82 LYS CE C 13 39.14 0.4 . 1 . . . A 82 LYS CE . 18314 1 1011 . 1 1 83 83 ARG H H 1 7.992 0.04 . 1 . . . A 83 ARG H . 18314 1 1012 . 1 1 83 83 ARG HA H 1 4.18 0.04 . 1 . . . A 83 ARG HA . 18314 1 1013 . 1 1 83 83 ARG HB2 H 1 1.931 0.04 . 2 . . . A 83 ARG HB2 . 18314 1 1014 . 1 1 83 83 ARG HB3 H 1 1.931 0.04 . 2 . . . A 83 ARG HB3 . 18314 1 1015 . 1 1 83 83 ARG HG2 H 1 1.805 0.04 . 2 . . . A 83 ARG HG2 . 18314 1 1016 . 1 1 83 83 ARG HG3 H 1 1.66 0.04 . 2 . . . A 83 ARG HG3 . 18314 1 1017 . 1 1 83 83 ARG HD2 H 1 3.235 0.04 . 2 . . . A 83 ARG HD2 . 18314 1 1018 . 1 1 83 83 ARG HD3 H 1 3.235 0.04 . 2 . . . A 83 ARG HD3 . 18314 1 1019 . 1 1 83 83 ARG C C 13 175.033 0.4 . 1 . . . A 83 ARG C . 18314 1 1020 . 1 1 83 83 ARG CA C 13 55.588 0.4 . 1 . . . A 83 ARG CA . 18314 1 1021 . 1 1 83 83 ARG CB C 13 27.996 0.4 . 1 . . . A 83 ARG CB . 18314 1 1022 . 1 1 83 83 ARG CG C 13 25.024 0.4 . 1 . . . A 83 ARG CG . 18314 1 1023 . 1 1 83 83 ARG CD C 13 40.721 0.4 . 1 . . . A 83 ARG CD . 18314 1 1024 . 1 1 83 83 ARG N N 15 119.231 0.4 . 1 . . . A 83 ARG N . 18314 1 1025 . 1 1 84 84 ARG H H 1 7.934 0.04 . 1 . . . A 84 ARG H . 18314 1 1026 . 1 1 84 84 ARG HA H 1 4.263 0.04 . 1 . . . A 84 ARG HA . 18314 1 1027 . 1 1 84 84 ARG HB2 H 1 1.923 0.04 . 2 . . . A 84 ARG HB2 . 18314 1 1028 . 1 1 84 84 ARG HB3 H 1 1.923 0.04 . 2 . . . A 84 ARG HB3 . 18314 1 1029 . 1 1 84 84 ARG HD2 H 1 3.239 0.04 . 2 . . . A 84 ARG HD2 . 18314 1 1030 . 1 1 84 84 ARG HD3 H 1 3.239 0.04 . 2 . . . A 84 ARG HD3 . 18314 1 1031 . 1 1 84 84 ARG C C 13 174.321 0.4 . 1 . . . A 84 ARG C . 18314 1 1032 . 1 1 84 84 ARG CA C 13 54.578 0.4 . 1 . . . A 84 ARG CA . 18314 1 1033 . 1 1 84 84 ARG CB C 13 28.051 0.4 . 1 . . . A 84 ARG CB . 18314 1 1034 . 1 1 84 84 ARG CD C 13 40.43 0.4 . 1 . . . A 84 ARG CD . 18314 1 1035 . 1 1 84 84 ARG N N 15 118.933 0.4 . 1 . . . A 84 ARG N . 18314 1 1036 . 1 1 85 85 SER H H 1 7.992 0.04 . 1 . . . A 85 SER H . 18314 1 1037 . 1 1 85 85 SER HA H 1 4.444 0.04 . 1 . . . A 85 SER HA . 18314 1 1038 . 1 1 85 85 SER HB2 H 1 3.978 0.04 . 2 . . . A 85 SER HB2 . 18314 1 1039 . 1 1 85 85 SER HB3 H 1 3.978 0.04 . 2 . . . A 85 SER HB3 . 18314 1 1040 . 1 1 85 85 SER C C 13 171.547 0.4 . 1 . . . A 85 SER C . 18314 1 1041 . 1 1 85 85 SER CA C 13 56.279 0.4 . 1 . . . A 85 SER CA . 18314 1 1042 . 1 1 85 85 SER CB C 13 60.91 0.4 . 1 . . . A 85 SER CB . 18314 1 1043 . 1 1 85 85 SER N N 15 115.135 0.4 . 1 . . . A 85 SER N . 18314 1 1044 . 1 1 86 86 ARG H H 1 7.945 0.04 . 1 . . . A 86 ARG H . 18314 1 1045 . 1 1 86 86 ARG HA H 1 4.43 0.04 . 1 . . . A 86 ARG HA . 18314 1 1046 . 1 1 86 86 ARG HB2 H 1 1.982 0.04 . 2 . . . A 86 ARG HB2 . 18314 1 1047 . 1 1 86 86 ARG HB3 H 1 1.83 0.04 . 2 . . . A 86 ARG HB3 . 18314 1 1048 . 1 1 86 86 ARG HG2 H 1 1.708 0.04 . 2 . . . A 86 ARG HG2 . 18314 1 1049 . 1 1 86 86 ARG HG3 H 1 1.587 0.04 . 2 . . . A 86 ARG HG3 . 18314 1 1050 . 1 1 86 86 ARG HD2 H 1 3.23 0.04 . 2 . . . A 86 ARG HD2 . 18314 1 1051 . 1 1 86 86 ARG HD3 H 1 3.23 0.04 . 2 . . . A 86 ARG HD3 . 18314 1 1052 . 1 1 86 86 ARG C C 13 172.48 0.4 . 1 . . . A 86 ARG C . 18314 1 1053 . 1 1 86 86 ARG CA C 13 53.28 0.4 . 1 . . . A 86 ARG CA . 18314 1 1054 . 1 1 86 86 ARG CB C 13 27.876 0.4 . 1 . . . A 86 ARG CB . 18314 1 1055 . 1 1 86 86 ARG CG C 13 24.441 0.4 . 1 . . . A 86 ARG CG . 18314 1 1056 . 1 1 86 86 ARG CD C 13 40.51 0.4 . 1 . . . A 86 ARG CD . 18314 1 1057 . 1 1 86 86 ARG N N 15 122.081 0.4 . 1 . . . A 86 ARG N . 18314 1 1058 . 1 1 87 87 LEU H H 1 7.727 0.04 . 1 . . . A 87 LEU H . 18314 1 1059 . 1 1 87 87 LEU HA H 1 4.205 0.04 . 1 . . . A 87 LEU HA . 18314 1 1060 . 1 1 87 87 LEU HB2 H 1 1.644 0.04 . 2 . . . A 87 LEU HB2 . 18314 1 1061 . 1 1 87 87 LEU HB3 H 1 1.606 0.04 . 2 . . . A 87 LEU HB3 . 18314 1 1062 . 1 1 87 87 LEU HG H 1 1.661 0.04 . 1 . . . A 87 LEU HG . 18314 1 1063 . 1 1 87 87 LEU HD11 H 1 0.94 0.04 . 2 . . . A 87 LEU HD11 . 18314 1 1064 . 1 1 87 87 LEU HD12 H 1 0.94 0.04 . 2 . . . A 87 LEU HD12 . 18314 1 1065 . 1 1 87 87 LEU HD13 H 1 0.94 0.04 . 2 . . . A 87 LEU HD13 . 18314 1 1066 . 1 1 87 87 LEU HD21 H 1 0.889 0.04 . 2 . . . A 87 LEU HD21 . 18314 1 1067 . 1 1 87 87 LEU HD22 H 1 0.889 0.04 . 2 . . . A 87 LEU HD22 . 18314 1 1068 . 1 1 87 87 LEU HD23 H 1 0.889 0.04 . 2 . . . A 87 LEU HD23 . 18314 1 1069 . 1 1 87 87 LEU CA C 13 54.013 0.4 . 1 . . . A 87 LEU CA . 18314 1 1070 . 1 1 87 87 LEU CB C 13 40.602 0.4 . 1 . . . A 87 LEU CB . 18314 1 1071 . 1 1 87 87 LEU CG C 13 24.343 0.4 . 1 . . . A 87 LEU CG . 18314 1 1072 . 1 1 87 87 LEU CD1 C 13 22.538 0.4 . 2 . . . A 87 LEU CD1 . 18314 1 1073 . 1 1 87 87 LEU CD2 C 13 20.472 0.4 . 2 . . . A 87 LEU CD2 . 18314 1 1074 . 1 1 87 87 LEU N N 15 128.183 0.4 . 1 . . . A 87 LEU N . 18314 1 1075 . 2 2 3 3 MET HA H 1 4.564 0.04 . 1 . . . . 103 MET HA . 18314 1 1076 . 2 2 3 3 MET HB2 H 1 2.095 0.04 . 2 . . . . 103 MET HB2 . 18314 1 1077 . 2 2 3 3 MET HB3 H 1 1.996 0.04 . 2 . . . . 103 MET HB3 . 18314 1 1078 . 2 2 3 3 MET CA C 13 52.792 0.4 . 1 . . . . 103 MET CA . 18314 1 1079 . 2 2 3 3 MET CB C 13 30.172 0.4 . 1 . . . . 103 MET CB . 18314 1 1080 . 2 2 4 4 SER HA H 1 4.528 0.04 . 1 . . . . 104 SER HA . 18314 1 1081 . 2 2 4 4 SER HB2 H 1 3.887 0.04 . 2 . . . . 104 SER HB2 . 18314 1 1082 . 2 2 4 4 SER HB3 H 1 3.771 0.04 . 2 . . . . 104 SER HB3 . 18314 1 1083 . 2 2 4 4 SER CA C 13 55.611 0.4 . 1 . . . . 104 SER CA . 18314 1 1084 . 2 2 4 4 SER CB C 13 60.897 0.4 . 1 . . . . 104 SER CB . 18314 1 1085 . 2 2 5 5 HIS HA H 1 4.778 0.04 . 1 . . . . 105 HIS HA . 18314 1 1086 . 2 2 5 5 HIS HB2 H 1 3.306 0.04 . 2 . . . . 105 HIS HB2 . 18314 1 1087 . 2 2 5 5 HIS HB3 H 1 3.183 0.04 . 2 . . . . 105 HIS HB3 . 18314 1 1088 . 2 2 5 5 HIS CA C 13 52.741 0.4 . 1 . . . . 105 HIS CA . 18314 1 1089 . 2 2 5 5 HIS CB C 13 26.748 0.4 . 1 . . . . 105 HIS CB . 18314 1 1090 . 2 2 6 6 TYR H H 1 8.184 0.04 . 1 . . . . 106 TYR HN . 18314 1 1091 . 2 2 6 6 TYR HA H 1 4.554 0.04 . 1 . . . . 106 TYR HA . 18314 1 1092 . 2 2 6 6 TYR HB2 H 1 3.069 0.04 . 2 . . . . 106 TYR HB2 . 18314 1 1093 . 2 2 6 6 TYR HB3 H 1 2.897 0.04 . 2 . . . . 106 TYR HB3 . 18314 1 1094 . 2 2 6 6 TYR C C 13 173.167 0.4 . 1 . . . . 106 TYR C . 18314 1 1095 . 2 2 6 6 TYR CA C 13 55.2 0.4 . 1 . . . . 106 TYR CA . 18314 1 1096 . 2 2 6 6 TYR CB C 13 36.005 0.4 . 1 . . . . 106 TYR CB . 18314 1 1097 . 2 2 6 6 TYR N N 15 121.118 0.4 . 1 . . . . 106 TYR N . 18314 1 1098 . 2 2 7 7 GLY H H 1 8.325 0.04 . 1 . . . . 107 GLY HN . 18314 1 1099 . 2 2 7 7 GLY HA2 H 1 3.901 0.04 . 2 . . . . 107 GLY QA . 18314 1 1100 . 2 2 7 7 GLY HA3 H 1 3.901 0.04 . 2 . . . . 107 GLY QA . 18314 1 1101 . 2 2 7 7 GLY C C 13 173.543 0.4 . 1 . . . . 107 GLY C . 18314 1 1102 . 2 2 7 7 GLY CA C 13 42.698 0.4 . 1 . . . . 107 GLY CA . 18314 1 1103 . 2 2 7 7 GLY N N 15 110.428 0.4 . 1 . . . . 107 GLY N . 18314 1 1104 . 2 2 8 8 ASN H H 1 8.31 0.04 . 1 . . . . 108 ASN HN . 18314 1 1105 . 2 2 8 8 ASN HA H 1 4.72 0.04 . 1 . . . . 108 ASN HA . 18314 1 1106 . 2 2 8 8 ASN HB2 H 1 2.858 0.04 . 2 . . . . 108 ASN HB2 . 18314 1 1107 . 2 2 8 8 ASN HB3 H 1 2.807 0.04 . 2 . . . . 108 ASN HB3 . 18314 1 1108 . 2 2 8 8 ASN HD21 H 1 7.597 0.04 . 2 . . . . 108 ASN HD21 . 18314 1 1109 . 2 2 8 8 ASN HD22 H 1 6.915 0.04 . 2 . . . . 108 ASN HD22 . 18314 1 1110 . 2 2 8 8 ASN C C 13 171.188 0.4 . 1 . . . . 108 ASN C . 18314 1 1111 . 2 2 8 8 ASN CA C 13 50.635 0.4 . 1 . . . . 108 ASN CA . 18314 1 1112 . 2 2 8 8 ASN CB C 13 36.024 0.4 . 1 . . . . 108 ASN CB . 18314 1 1113 . 2 2 8 8 ASN N N 15 118.73 0.4 . 1 . . . . 108 ASN N . 18314 1 1114 . 2 2 8 8 ASN ND2 N 15 112.607 0.4 . 1 . . . . 108 ASN ND2 . 18314 1 1115 . 2 2 9 9 GLN H H 1 8.458 0.04 . 1 . . . . 109 GLN HN . 18314 1 1116 . 2 2 9 9 GLN HA H 1 4.374 0.04 . 1 . . . . 109 GLN HA . 18314 1 1117 . 2 2 9 9 GLN HB2 H 1 2.152 0.04 . 2 . . . . 109 GLN HB2 . 18314 1 1118 . 2 2 9 9 GLN HB3 H 1 2.059 0.04 . 2 . . . . 109 GLN HB3 . 18314 1 1119 . 2 2 9 9 GLN HG2 H 1 2.373 0.04 . 2 . . . . 109 GLN QG . 18314 1 1120 . 2 2 9 9 GLN HG3 H 1 2.373 0.04 . 2 . . . . 109 GLN QG . 18314 1 1121 . 2 2 9 9 GLN HE21 H 1 7.521 0.04 . 2 . . . . 109 GLN HE21 . 18314 1 1122 . 2 2 9 9 GLN C C 13 172.706 0.4 . 1 . . . . 109 GLN C . 18314 1 1123 . 2 2 9 9 GLN CA C 13 53.755 0.4 . 1 . . . . 109 GLN CA . 18314 1 1124 . 2 2 9 9 GLN CB C 13 26.823 0.4 . 1 . . . . 109 GLN CB . 18314 1 1125 . 2 2 9 9 GLN CG C 13 31.088 0.4 . 1 . . . . 109 GLN CG . 18314 1 1126 . 2 2 9 9 GLN N N 15 120.696 0.4 . 1 . . . . 109 GLN N . 18314 1 1127 . 2 2 9 9 GLN NE2 N 15 112.335 0.4 . 1 . . . . 109 GLN NE2 . 18314 1 1128 . 2 2 10 10 THR H H 1 8.312 0.04 . 1 . . . . 110 THR HN . 18314 1 1129 . 2 2 10 10 THR HA H 1 4.334 0.04 . 1 . . . . 110 THR HA . 18314 1 1130 . 2 2 10 10 THR HB H 1 4.298 0.04 . 1 . . . . 110 THR HB . 18314 1 1131 . 2 2 10 10 THR HG21 H 1 1.236 0.04 . 1 . . . . 110 THR QG2 . 18314 1 1132 . 2 2 10 10 THR HG22 H 1 1.236 0.04 . 1 . . . . 110 THR QG2 . 18314 1 1133 . 2 2 10 10 THR HG23 H 1 1.236 0.04 . 1 . . . . 110 THR QG2 . 18314 1 1134 . 2 2 10 10 THR C C 13 173.532 0.4 . 1 . . . . 110 THR C . 18314 1 1135 . 2 2 10 10 THR CA C 13 59.697 0.4 . 1 . . . . 110 THR CA . 18314 1 1136 . 2 2 10 10 THR CB C 13 67.171 0.4 . 1 . . . . 110 THR CB . 18314 1 1137 . 2 2 10 10 THR CG2 C 13 18.939 0.4 . 1 . . . . 110 THR CG2 . 18314 1 1138 . 2 2 10 10 THR N N 15 115.11 0.4 . 1 . . . . 110 THR N . 18314 1 1139 . 2 2 11 11 LEU H H 1 8.246 0.04 . 1 . . . . 111 LEU HN . 18314 1 1140 . 2 2 11 11 LEU HA H 1 4.186 0.04 . 1 . . . . 111 LEU HA . 18314 1 1141 . 2 2 11 11 LEU HB2 H 1 1.618 0.04 . 2 . . . . 111 LEU QB . 18314 1 1142 . 2 2 11 11 LEU HB3 H 1 1.618 0.04 . 2 . . . . 111 LEU QB . 18314 1 1143 . 2 2 11 11 LEU HG H 1 1.616 0.04 . 1 . . . . 111 LEU HG . 18314 1 1144 . 2 2 11 11 LEU HD11 H 1 0.873 0.04 . 2 . . . . 111 LEU QD1 . 18314 1 1145 . 2 2 11 11 LEU HD12 H 1 0.873 0.04 . 2 . . . . 111 LEU QD1 . 18314 1 1146 . 2 2 11 11 LEU HD13 H 1 0.873 0.04 . 2 . . . . 111 LEU QD1 . 18314 1 1147 . 2 2 11 11 LEU HD21 H 1 0.845 0.04 . 2 . . . . 111 LEU QD2 . 18314 1 1148 . 2 2 11 11 LEU HD22 H 1 0.845 0.04 . 2 . . . . 111 LEU QD2 . 18314 1 1149 . 2 2 11 11 LEU HD23 H 1 0.845 0.04 . 2 . . . . 111 LEU QD2 . 18314 1 1150 . 2 2 11 11 LEU C C 13 172.215 0.4 . 1 . . . . 111 LEU C . 18314 1 1151 . 2 2 11 11 LEU CA C 13 53.637 0.4 . 1 . . . . 111 LEU CA . 18314 1 1152 . 2 2 11 11 LEU CB C 13 39.176 0.4 . 1 . . . . 111 LEU CB . 18314 1 1153 . 2 2 11 11 LEU CG C 13 24.079 0.4 . 1 . . . . 111 LEU CG . 18314 1 1154 . 2 2 11 11 LEU CD1 C 13 21.064 0.4 . 2 . . . . 111 LEU CD1 . 18314 1 1155 . 2 2 11 11 LEU CD2 C 13 21.265 0.4 . 2 . . . . 111 LEU CD2 . 18314 1 1156 . 2 2 11 11 LEU N N 15 123.209 0.4 . 1 . . . . 111 LEU N . 18314 1 1157 . 2 2 12 12 GLN H H 1 8.21 0.04 . 1 . . . . 112 GLN HN . 18314 1 1158 . 2 2 12 12 GLN HA H 1 4.113 0.04 . 1 . . . . 112 GLN HA . 18314 1 1159 . 2 2 12 12 GLN HB2 H 1 2.056 0.04 . 2 . . . . 112 GLN HB2 . 18314 1 1160 . 2 2 12 12 GLN HB3 H 1 2.037 0.04 . 2 . . . . 112 GLN HB3 . 18314 1 1161 . 2 2 12 12 GLN HG2 H 1 2.375 0.04 . 2 . . . . 112 GLN QG . 18314 1 1162 . 2 2 12 12 GLN HG3 H 1 2.375 0.04 . 2 . . . . 112 GLN QG . 18314 1 1163 . 2 2 12 12 GLN HE21 H 1 7.497 0.04 . 2 . . . . 112 GLN HE21 . 18314 1 1164 . 2 2 12 12 GLN C C 13 174.971 0.4 . 1 . . . . 112 GLN C . 18314 1 1165 . 2 2 12 12 GLN CA C 13 54.608 0.4 . 1 . . . . 112 GLN CA . 18314 1 1166 . 2 2 12 12 GLN CB C 13 26.133 0.4 . 1 . . . . 112 GLN CB . 18314 1 1167 . 2 2 12 12 GLN CG C 13 31.133 0.4 . 1 . . . . 112 GLN CG . 18314 1 1168 . 2 2 12 12 GLN N N 15 119.314 0.4 . 1 . . . . 112 GLN N . 18314 1 1169 . 2 2 12 12 GLN NE2 N 15 112.053 0.4 . 1 . . . . 112 GLN NE2 . 18314 1 1170 . 2 2 13 13 ASP H H 1 8.167 0.04 . 1 . . . . 113 ASP HN . 18314 1 1171 . 2 2 13 13 ASP HA H 1 4.5 0.04 . 1 . . . . 113 ASP HA . 18314 1 1172 . 2 2 13 13 ASP HB2 H 1 2.716 0.04 . 2 . . . . 113 ASP QB . 18314 1 1173 . 2 2 13 13 ASP HB3 H 1 2.716 0.04 . 2 . . . . 113 ASP QB . 18314 1 1174 . 2 2 13 13 ASP C C 13 173.844 0.4 . 1 . . . . 113 ASP C . 18314 1 1175 . 2 2 13 13 ASP CA C 13 52.741 0.4 . 1 . . . . 113 ASP CA . 18314 1 1176 . 2 2 13 13 ASP CB C 13 38.087 0.4 . 1 . . . . 113 ASP CB . 18314 1 1177 . 2 2 13 13 ASP N N 15 120.443 0.4 . 1 . . . . 113 ASP N . 18314 1 1178 . 2 2 14 14 LEU H H 1 7.993 0.04 . 1 . . . . 114 LEU HN . 18314 1 1179 . 2 2 14 14 LEU HA H 1 4.239 0.04 . 1 . . . . 114 LEU HA . 18314 1 1180 . 2 2 14 14 LEU HB2 H 1 1.678 0.04 . 2 . . . . 114 LEU HB2 . 18314 1 1181 . 2 2 14 14 LEU HB3 H 1 1.599 0.04 . 2 . . . . 114 LEU HB3 . 18314 1 1182 . 2 2 14 14 LEU HG H 1 1.683 0.04 . 1 . . . . 114 LEU HG . 18314 1 1183 . 2 2 14 14 LEU HD11 H 1 0.886 0.04 . 2 . . . . 114 LEU QD1 . 18314 1 1184 . 2 2 14 14 LEU HD12 H 1 0.886 0.04 . 2 . . . . 114 LEU QD1 . 18314 1 1185 . 2 2 14 14 LEU HD13 H 1 0.886 0.04 . 2 . . . . 114 LEU QD1 . 18314 1 1186 . 2 2 14 14 LEU HD21 H 1 0.833 0.04 . 2 . . . . 114 LEU QD2 . 18314 1 1187 . 2 2 14 14 LEU HD22 H 1 0.833 0.04 . 2 . . . . 114 LEU QD2 . 18314 1 1188 . 2 2 14 14 LEU HD23 H 1 0.833 0.04 . 2 . . . . 114 LEU QD2 . 18314 1 1189 . 2 2 14 14 LEU C C 13 174.09 0.4 . 1 . . . . 114 LEU C . 18314 1 1190 . 2 2 14 14 LEU CA C 13 53.414 0.4 . 1 . . . . 114 LEU CA . 18314 1 1191 . 2 2 14 14 LEU CB C 13 39.429 0.4 . 1 . . . . 114 LEU CB . 18314 1 1192 . 2 2 14 14 LEU CG C 13 24.162 0.4 . 1 . . . . 114 LEU CG . 18314 1 1193 . 2 2 14 14 LEU CD1 C 13 21.939 0.4 . 2 . . . . 114 LEU CD1 . 18314 1 1194 . 2 2 14 14 LEU CD2 C 13 20.426 0.4 . 2 . . . . 114 LEU CD2 . 18314 1 1195 . 2 2 14 14 LEU N N 15 121.293 0.4 . 1 . . . . 114 LEU N . 18314 1 1196 . 2 2 15 15 LEU H H 1 8.118 0.04 . 1 . . . . 115 LEU HN . 18314 1 1197 . 2 2 15 15 LEU HA H 1 4.368 0.04 . 1 . . . . 115 LEU HA . 18314 1 1198 . 2 2 15 15 LEU HB2 H 1 1.73 0.04 . 2 . . . . 115 LEU HB2 . 18314 1 1199 . 2 2 15 15 LEU HB3 H 1 1.582 0.04 . 2 . . . . 115 LEU HB3 . 18314 1 1200 . 2 2 15 15 LEU HG H 1 1.707 0.04 . 1 . . . . 115 LEU HG . 18314 1 1201 . 2 2 15 15 LEU HD11 H 1 0.873 0.04 . 2 . . . . 115 LEU QD1 . 18314 1 1202 . 2 2 15 15 LEU HD12 H 1 0.873 0.04 . 2 . . . . 115 LEU QD1 . 18314 1 1203 . 2 2 15 15 LEU HD13 H 1 0.873 0.04 . 2 . . . . 115 LEU QD1 . 18314 1 1204 . 2 2 15 15 LEU HD21 H 1 0.831 0.04 . 2 . . . . 115 LEU QD2 . 18314 1 1205 . 2 2 15 15 LEU HD22 H 1 0.831 0.04 . 2 . . . . 115 LEU QD2 . 18314 1 1206 . 2 2 15 15 LEU HD23 H 1 0.831 0.04 . 2 . . . . 115 LEU QD2 . 18314 1 1207 . 2 2 15 15 LEU C C 13 175.116 0.4 . 1 . . . . 115 LEU C . 18314 1 1208 . 2 2 15 15 LEU CB C 13 39.526 0.4 . 1 . . . . 115 LEU CB . 18314 1 1209 . 2 2 15 15 LEU CG C 13 24.051 0.4 . 1 . . . . 115 LEU CG . 18314 1 1210 . 2 2 15 15 LEU CD1 C 13 22.435 0.4 . 2 . . . . 115 LEU CD1 . 18314 1 1211 . 2 2 15 15 LEU CD2 C 13 20.417 0.4 . 2 . . . . 115 LEU CD2 . 18314 1 1212 . 2 2 15 15 LEU N N 15 120.63 0.4 . 1 . . . . 115 LEU N . 18314 1 1213 . 2 2 16 16 THR H H 1 7.939 0.04 . 1 . . . . 116 THR HN . 18314 1 1214 . 2 2 16 16 THR HA H 1 4.396 0.04 . 1 . . . . 116 THR HA . 18314 1 1215 . 2 2 16 16 THR HB H 1 4.347 0.04 . 1 . . . . 116 THR HB . 18314 1 1216 . 2 2 16 16 THR HG21 H 1 1.236 0.04 . 1 . . . . 116 THR QG2 . 18314 1 1217 . 2 2 16 16 THR HG22 H 1 1.236 0.04 . 1 . . . . 116 THR QG2 . 18314 1 1218 . 2 2 16 16 THR HG23 H 1 1.236 0.04 . 1 . . . . 116 THR QG2 . 18314 1 1219 . 2 2 16 16 THR C C 13 175.195 0.4 . 1 . . . . 116 THR C . 18314 1 1220 . 2 2 16 16 THR CA C 13 59.166 0.4 . 1 . . . . 116 THR CA . 18314 1 1221 . 2 2 16 16 THR CB C 13 67.017 0.4 . 1 . . . . 116 THR CB . 18314 1 1222 . 2 2 16 16 THR CG2 C 13 18.771 0.4 . 1 . . . . 116 THR CG2 . 18314 1 1223 . 2 2 16 16 THR N N 15 112.901 0.4 . 1 . . . . 116 THR N . 18314 1 1224 . 2 2 17 17 SER H H 1 8.198 0.04 . 1 . . . . 117 SER HN . 18314 1 1225 . 2 2 17 17 SER HA H 1 4.441 0.04 . 1 . . . . 117 SER HA . 18314 1 1226 . 2 2 17 17 SER HB2 H 1 3.935 0.04 . 2 . . . . 117 SER QB . 18314 1 1227 . 2 2 17 17 SER HB3 H 1 3.935 0.04 . 2 . . . . 117 SER QB . 18314 1 1228 . 2 2 17 17 SER C C 13 172.226 0.4 . 1 . . . . 117 SER C . 18314 1 1229 . 2 2 17 17 SER CA C 13 56.085 0.4 . 1 . . . . 117 SER CA . 18314 1 1230 . 2 2 17 17 SER CB C 13 61.023 0.4 . 1 . . . . 117 SER CB . 18314 1 1231 . 2 2 17 17 SER N N 15 117.47 0.4 . 1 . . . . 117 SER N . 18314 1 1232 . 2 2 18 18 ASP H H 1 8.424 0.04 . 1 . . . . 118 ASP HN . 18314 1 1233 . 2 2 18 18 ASP HA H 1 4.648 0.04 . 1 . . . . 118 ASP HA . 18314 1 1234 . 2 2 18 18 ASP HB2 H 1 2.717 0.04 . 2 . . . . 118 ASP QB . 18314 1 1235 . 2 2 18 18 ASP HB3 H 1 2.717 0.04 . 2 . . . . 118 ASP QB . 18314 1 1236 . 2 2 18 18 ASP C C 13 172.036 0.4 . 1 . . . . 118 ASP C . 18314 1 1237 . 2 2 18 18 ASP CA C 13 51.984 0.4 . 1 . . . . 118 ASP CA . 18314 1 1238 . 2 2 18 18 ASP CB C 13 38.395 0.4 . 1 . . . . 118 ASP CB . 18314 1 1239 . 2 2 18 18 ASP N N 15 122.525 0.4 . 1 . . . . 118 ASP N . 18314 1 1240 . 2 2 19 19 SER H H 1 8.237 0.04 . 1 . . . . 119 SER HN . 18314 1 1241 . 2 2 19 19 SER HA H 1 4.377 0.04 . 1 . . . . 119 SER HA . 18314 1 1242 . 2 2 19 19 SER HB2 H 1 3.88 0.04 . 2 . . . . 119 SER QB . 18314 1 1243 . 2 2 19 19 SER HB3 H 1 3.88 0.04 . 2 . . . . 119 SER QB . 18314 1 1244 . 2 2 19 19 SER C C 13 174.09 0.4 . 1 . . . . 119 SER C . 18314 1 1245 . 2 2 19 19 SER CA C 13 56.399 0.4 . 1 . . . . 119 SER CA . 18314 1 1246 . 2 2 19 19 SER CB C 13 61.012 0.4 . 1 . . . . 119 SER CB . 18314 1 1247 . 2 2 19 19 SER N N 15 115.731 0.4 . 1 . . . . 119 SER N . 18314 1 1248 . 2 2 20 20 LEU H H 1 8.112 0.04 . 1 . . . . 120 LEU HN . 18314 1 1249 . 2 2 20 20 LEU HA H 1 4.341 0.04 . 1 . . . . 120 LEU HA . 18314 1 1250 . 2 2 20 20 LEU HB2 H 1 1.655 0.04 . 2 . . . . 120 LEU HB2 . 18314 1 1251 . 2 2 20 20 LEU HB3 H 1 1.588 0.04 . 2 . . . . 120 LEU HB3 . 18314 1 1252 . 2 2 20 20 LEU HG H 1 1.635 0.04 . 1 . . . . 120 LEU HG . 18314 1 1253 . 2 2 20 20 LEU HD11 H 1 0.892 0.04 . 2 . . . . 120 LEU QD1 . 18314 1 1254 . 2 2 20 20 LEU HD12 H 1 0.892 0.04 . 2 . . . . 120 LEU QD1 . 18314 1 1255 . 2 2 20 20 LEU HD13 H 1 0.892 0.04 . 2 . . . . 120 LEU QD1 . 18314 1 1256 . 2 2 20 20 LEU HD21 H 1 0.836 0.04 . 2 . . . . 120 LEU QD2 . 18314 1 1257 . 2 2 20 20 LEU HD22 H 1 0.836 0.04 . 2 . . . . 120 LEU QD2 . 18314 1 1258 . 2 2 20 20 LEU HD23 H 1 0.836 0.04 . 2 . . . . 120 LEU QD2 . 18314 1 1259 . 2 2 20 20 LEU C C 13 172.26 0.4 . 1 . . . . 120 LEU C . 18314 1 1260 . 2 2 20 20 LEU CA C 13 52.742 0.4 . 1 . . . . 120 LEU CA . 18314 1 1261 . 2 2 20 20 LEU CB C 13 39.498 0.4 . 1 . . . . 120 LEU CB . 18314 1 1262 . 2 2 20 20 LEU CG C 13 23.974 0.4 . 1 . . . . 120 LEU CG . 18314 1 1263 . 2 2 20 20 LEU CD1 C 13 22.228 0.4 . 2 . . . . 120 LEU CD1 . 18314 1 1264 . 2 2 20 20 LEU CD2 C 13 20.948 0.4 . 2 . . . . 120 LEU CD2 . 18314 1 1265 . 2 2 20 20 LEU N N 15 122.846 0.4 . 1 . . . . 120 LEU N . 18314 1 1266 . 2 2 21 21 SER H H 1 8.097 0.04 . 1 . . . . 121 SER HN . 18314 1 1267 . 2 2 21 21 SER HA H 1 4.394 0.04 . 1 . . . . 121 SER HA . 18314 1 1268 . 2 2 21 21 SER HB2 H 1 3.858 0.04 . 2 . . . . 121 SER QB . 18314 1 1269 . 2 2 21 21 SER HB3 H 1 3.858 0.04 . 2 . . . . 121 SER QB . 18314 1 1270 . 2 2 21 21 SER C C 13 174.882 0.4 . 1 . . . . 121 SER C . 18314 1 1271 . 2 2 21 21 SER CA C 13 55.601 0.4 . 1 . . . . 121 SER CA . 18314 1 1272 . 2 2 21 21 SER CB C 13 61.012 0.4 . 1 . . . . 121 SER CB . 18314 1 1273 . 2 2 21 21 SER N N 15 115.243 0.4 . 1 . . . . 121 SER N . 18314 1 1274 . 2 2 22 22 HIS HA H 1 4.645 0.04 . 1 . . . . 122 HIS HA . 18314 1 1275 . 2 2 22 22 HIS HB2 H 1 3.112 0.04 . 2 . . . . 122 HIS HB2 . 18314 1 1276 . 2 2 22 22 HIS HB3 H 1 3.04 0.04 . 2 . . . . 122 HIS HB3 . 18314 1 1277 . 2 2 22 22 HIS CA C 13 53.086 0.4 . 1 . . . . 122 HIS CA . 18314 1 1278 . 2 2 22 22 HIS CB C 13 27.229 0.4 . 1 . . . . 122 HIS CB . 18314 1 1279 . 2 2 23 23 SER HA H 1 4.507 0.04 . 1 . . . . 123 SER HA . 18314 1 1280 . 2 2 23 23 SER HB2 H 1 3.874 0.04 . 2 . . . . 123 SER QB . 18314 1 1281 . 2 2 23 23 SER HB3 H 1 3.874 0.04 . 2 . . . . 123 SER QB . 18314 1 1282 . 2 2 23 23 SER CA C 13 55.573 0.4 . 1 . . . . 123 SER CA . 18314 1 1283 . 2 2 23 23 SER CB C 13 61.162 0.4 . 1 . . . . 123 SER CB . 18314 1 1284 . 2 2 24 24 ASP H H 1 8.483 0.04 . 1 . . . . 124 ASP HN . 18314 1 1285 . 2 2 24 24 ASP HA H 1 4.683 0.04 . 1 . . . . 124 ASP HA . 18314 1 1286 . 2 2 24 24 ASP HB2 H 1 2.739 0.04 . 2 . . . . 124 ASP QB . 18314 1 1287 . 2 2 24 24 ASP HB3 H 1 2.739 0.04 . 2 . . . . 124 ASP QB . 18314 1 1288 . 2 2 24 24 ASP C C 13 171.612 0.4 . 1 . . . . 124 ASP C . 18314 1 1289 . 2 2 24 24 ASP CA C 13 51.537 0.4 . 1 . . . . 124 ASP CA . 18314 1 1290 . 2 2 24 24 ASP CB C 13 38.485 0.4 . 1 . . . . 124 ASP CB . 18314 1 1291 . 2 2 24 24 ASP N N 15 122.543 0.4 . 1 . . . . 124 ASP N . 18314 1 1292 . 2 2 25 25 GLY H H 1 8.406 0.04 . 1 . . . . 125 GLY HN . 18314 1 1293 . 2 2 25 25 GLY HA2 H 1 4.003 0.04 . 2 . . . . 125 GLY QA . 18314 1 1294 . 2 2 25 25 GLY HA3 H 1 4.003 0.04 . 2 . . . . 125 GLY QA . 18314 1 1295 . 2 2 25 25 GLY C C 13 174.179 0.4 . 1 . . . . 125 GLY C . 18314 1 1296 . 2 2 25 25 GLY CA C 13 42.804 0.4 . 1 . . . . 125 GLY CA . 18314 1 1297 . 2 2 25 25 GLY N N 15 109.343 0.4 . 1 . . . . 125 GLY N . 18314 1 1298 . 2 2 36 36 SER HA H 1 4.518 0.04 . 1 . . . . 136 SER HA . 18314 1 1299 . 2 2 36 36 SER HB2 H 1 3.897 0.04 . 2 . . . . 136 SER QB . 18314 1 1300 . 2 2 36 36 SER HB3 H 1 3.897 0.04 . 2 . . . . 136 SER QB . 18314 1 1301 . 2 2 36 36 SER CA C 13 55.743 0.4 . 1 . . . . 136 SER CA . 18314 1 1302 . 2 2 36 36 SER CB C 13 61.304 0.4 . 1 . . . . 136 SER CB . 18314 1 1303 . 2 2 37 37 LEU H H 1 8.387 0.04 . 1 . . . . 137 LEU HN . 18314 1 1304 . 2 2 37 37 LEU HA H 1 4.341 0.04 . 1 . . . . 137 LEU HA . 18314 1 1305 . 2 2 37 37 LEU HB2 H 1 1.636 0.04 . 2 . . . . 137 LEU QB . 18314 1 1306 . 2 2 37 37 LEU HB3 H 1 1.636 0.04 . 2 . . . . 137 LEU QB . 18314 1 1307 . 2 2 37 37 LEU HG H 1 1.619 0.04 . 1 . . . . 137 LEU HG . 18314 1 1308 . 2 2 37 37 LEU HD11 H 1 0.908 0.04 . 2 . . . . 137 LEU QD1 . 18314 1 1309 . 2 2 37 37 LEU HD12 H 1 0.908 0.04 . 2 . . . . 137 LEU QD1 . 18314 1 1310 . 2 2 37 37 LEU HD13 H 1 0.908 0.04 . 2 . . . . 137 LEU QD1 . 18314 1 1311 . 2 2 37 37 LEU HD21 H 1 0.865 0.04 . 2 . . . . 137 LEU QD2 . 18314 1 1312 . 2 2 37 37 LEU HD22 H 1 0.865 0.04 . 2 . . . . 137 LEU QD2 . 18314 1 1313 . 2 2 37 37 LEU HD23 H 1 0.865 0.04 . 2 . . . . 137 LEU QD2 . 18314 1 1314 . 2 2 37 37 LEU C C 13 171.925 0.4 . 1 . . . . 137 LEU C . 18314 1 1315 . 2 2 37 37 LEU CA C 13 52.889 0.4 . 1 . . . . 137 LEU CA . 18314 1 1316 . 2 2 37 37 LEU CB C 13 39.2 0.4 . 1 . . . . 137 LEU CB . 18314 1 1317 . 2 2 37 37 LEU CG C 13 24.172 0.4 . 1 . . . . 137 LEU CG . 18314 1 1318 . 2 2 37 37 LEU CD1 C 13 22.495 0.4 . 2 . . . . 137 LEU CD1 . 18314 1 1319 . 2 2 37 37 LEU CD2 C 13 20.847 0.4 . 2 . . . . 137 LEU CD2 . 18314 1 1320 . 2 2 37 37 LEU N N 15 123.956 0.4 . 1 . . . . 137 LEU N . 18314 1 1321 . 2 2 38 38 GLU H H 1 8.437 0.04 . 1 . . . . 138 GLU HN . 18314 1 1322 . 2 2 38 38 GLU HA H 1 4.246 0.04 . 1 . . . . 138 GLU HA . 18314 1 1323 . 2 2 38 38 GLU HB2 H 1 2.067 0.04 . 2 . . . . 138 GLU HB2 . 18314 1 1324 . 2 2 38 38 GLU HB3 H 1 1.976 0.04 . 2 . . . . 138 GLU HB3 . 18314 1 1325 . 2 2 38 38 GLU HG2 H 1 2.289 0.04 . 2 . . . . 138 GLU QG . 18314 1 1326 . 2 2 38 38 GLU HG3 H 1 2.289 0.04 . 2 . . . . 138 GLU QG . 18314 1 1327 . 2 2 38 38 GLU C C 13 174.882 0.4 . 1 . . . . 138 GLU C . 18314 1 1328 . 2 2 38 38 GLU CA C 13 54.464 0.4 . 1 . . . . 138 GLU CA . 18314 1 1329 . 2 2 38 38 GLU CB C 13 27.174 0.4 . 1 . . . . 138 GLU CB . 18314 1 1330 . 2 2 38 38 GLU CG C 13 33.545 0.4 . 1 . . . . 138 GLU CG . 18314 1 1331 . 2 2 38 38 GLU N N 15 121.168 0.4 . 1 . . . . 138 GLU N . 18314 1 1332 . 2 2 39 39 CYS H H 1 8.229 0.04 . 1 . . . . 139 CYS HN . 18314 1 1333 . 2 2 39 39 CYS HA H 1 4.455 0.04 . 1 . . . . 139 CYS HA . 18314 1 1334 . 2 2 39 39 CYS HB2 H 1 2.92 0.04 . 2 . . . . 139 CYS QB . 18314 1 1335 . 2 2 39 39 CYS HB3 H 1 2.92 0.04 . 2 . . . . 139 CYS QB . 18314 1 1336 . 2 2 39 39 CYS C C 13 173.945 0.4 . 1 . . . . 139 CYS C . 18314 1 1337 . 2 2 39 39 CYS CA C 13 56.085 0.4 . 1 . . . . 139 CYS CA . 18314 1 1338 . 2 2 39 39 CYS CB C 13 25.166 0.4 . 1 . . . . 139 CYS CB . 18314 1 1339 . 2 2 39 39 CYS N N 15 119.128 0.4 . 1 . . . . 139 CYS N . 18314 1 1340 . 2 2 40 40 ASP H H 1 8.392 0.04 . 1 . . . . 140 ASP HN . 18314 1 1341 . 2 2 40 40 ASP HA H 1 4.657 0.04 . 1 . . . . 140 ASP HA . 18314 1 1342 . 2 2 40 40 ASP HB2 H 1 2.732 0.04 . 2 . . . . 140 ASP QB . 18314 1 1343 . 2 2 40 40 ASP HB3 H 1 2.732 0.04 . 2 . . . . 140 ASP QB . 18314 1 1344 . 2 2 40 40 ASP C C 13 171.769 0.4 . 1 . . . . 140 ASP C . 18314 1 1345 . 2 2 40 40 ASP CA C 13 52.033 0.4 . 1 . . . . 140 ASP CA . 18314 1 1346 . 2 2 40 40 ASP CB C 13 38.165 0.4 . 1 . . . . 140 ASP CB . 18314 1 1347 . 2 2 40 40 ASP N N 15 122.886 0.4 . 1 . . . . 140 ASP N . 18314 1 1348 . 2 2 41 41 MET H H 1 8.347 0.04 . 1 . . . . 141 MET HN . 18314 1 1349 . 2 2 41 41 MET HA H 1 4.442 0.04 . 1 . . . . 141 MET HA . 18314 1 1350 . 2 2 41 41 MET HB2 H 1 2.057 0.04 . 2 . . . . 141 MET QB . 18314 1 1351 . 2 2 41 41 MET HB3 H 1 2.057 0.04 . 2 . . . . 141 MET QB . 18314 1 1352 . 2 2 41 41 MET HG2 H 1 2.599 0.04 . 2 . . . . 141 MET HG2 . 18314 1 1353 . 2 2 41 41 MET HG3 H 1 2.547 0.04 . 2 . . . . 141 MET HG3 . 18314 1 1354 . 2 2 41 41 MET HE1 H 1 2.026 0.04 . 1 . . . . 141 MET QE . 18314 1 1355 . 2 2 41 41 MET HE2 H 1 2.026 0.04 . 1 . . . . 141 MET QE . 18314 1 1356 . 2 2 41 41 MET HE3 H 1 2.026 0.04 . 1 . . . . 141 MET QE . 18314 1 1357 . 2 2 41 41 MET C C 13 174.101 0.4 . 1 . . . . 141 MET C . 18314 1 1358 . 2 2 41 41 MET CA C 13 53.032 0.4 . 1 . . . . 141 MET CA . 18314 1 1359 . 2 2 41 41 MET CB C 13 29.684 0.4 . 1 . . . . 141 MET CB . 18314 1 1360 . 2 2 41 41 MET CG C 13 29.309 0.4 . 1 . . . . 141 MET CG . 18314 1 1361 . 2 2 41 41 MET CE C 13 14.419 0.4 . 1 . . . . 141 MET CE . 18314 1 1362 . 2 2 41 41 MET N N 15 120.981 0.4 . 1 . . . . 141 MET N . 18314 1 1363 . 2 2 42 42 GLU H H 1 8.376 0.04 . 1 . . . . 142 GLU HN . 18314 1 1364 . 2 2 42 42 GLU HA H 1 4.332 0.04 . 1 . . . . 142 GLU HA . 18314 1 1365 . 2 2 42 42 GLU HB2 H 1 2.042 0.04 . 2 . . . . 142 GLU QB . 18314 1 1366 . 2 2 42 42 GLU HB3 H 1 2.042 0.04 . 2 . . . . 142 GLU QB . 18314 1 1367 . 2 2 42 42 GLU HG2 H 1 2.343 0.04 . 2 . . . . 142 GLU QG . 18314 1 1368 . 2 2 42 42 GLU HG3 H 1 2.343 0.04 . 2 . . . . 142 GLU QG . 18314 1 1369 . 2 2 42 42 GLU C C 13 174.492 0.4 . 1 . . . . 142 GLU C . 18314 1 1370 . 2 2 42 42 GLU CA C 13 54.47 0.4 . 1 . . . . 142 GLU CA . 18314 1 1371 . 2 2 42 42 GLU CB C 13 26.872 0.4 . 1 . . . . 142 GLU CB . 18314 1 1372 . 2 2 42 42 GLU CG C 13 33.466 0.4 . 1 . . . . 142 GLU CG . 18314 1 1373 . 2 2 42 42 GLU N N 15 120.07 0.4 . 1 . . . . 142 GLU N . 18314 1 1374 . 2 2 43 43 SER H H 1 8.074 0.04 . 1 . . . . 143 SER HN . 18314 1 1375 . 2 2 43 43 SER HA H 1 4.291 0.04 . 1 . . . . 143 SER HA . 18314 1 1376 . 2 2 43 43 SER HB2 H 1 3.914 0.04 . 2 . . . . 143 SER QB . 18314 1 1377 . 2 2 43 43 SER HB3 H 1 3.914 0.04 . 2 . . . . 143 SER QB . 18314 1 1378 . 2 2 43 43 SER C C 13 174.826 0.4 . 1 . . . . 143 SER C . 18314 1 1379 . 2 2 43 43 SER CA C 13 57.294 0.4 . 1 . . . . 143 SER CA . 18314 1 1380 . 2 2 43 43 SER CB C 13 61 0.4 . 1 . . . . 143 SER CB . 18314 1 1381 . 2 2 43 43 SER N N 15 115.121 0.4 . 1 . . . . 143 SER N . 18314 1 1382 . 2 2 44 44 ILE H H 1 7.799 0.04 . 1 . . . . 144 ILE HN . 18314 1 1383 . 2 2 44 44 ILE HA H 1 3.974 0.04 . 1 . . . . 144 ILE HA . 18314 1 1384 . 2 2 44 44 ILE HB H 1 1.959 0.04 . 1 . . . . 144 ILE HB . 18314 1 1385 . 2 2 44 44 ILE HG12 H 1 1.606 0.04 . 2 . . . . 144 ILE QG1 . 18314 1 1386 . 2 2 44 44 ILE HG13 H 1 1.606 0.04 . 2 . . . . 144 ILE QG1 . 18314 1 1387 . 2 2 44 44 ILE HG21 H 1 0.866 0.04 . 1 . . . . 144 ILE QG2 . 18314 1 1388 . 2 2 44 44 ILE HG22 H 1 0.866 0.04 . 1 . . . . 144 ILE QG2 . 18314 1 1389 . 2 2 44 44 ILE HG23 H 1 0.866 0.04 . 1 . . . . 144 ILE QG2 . 18314 1 1390 . 2 2 44 44 ILE HD11 H 1 0.858 0.04 . 1 . . . . 144 ILE QD1 . 18314 1 1391 . 2 2 44 44 ILE HD12 H 1 0.858 0.04 . 1 . . . . 144 ILE QD1 . 18314 1 1392 . 2 2 44 44 ILE HD13 H 1 0.858 0.04 . 1 . . . . 144 ILE QD1 . 18314 1 1393 . 2 2 44 44 ILE C C 13 172.818 0.4 . 1 . . . . 144 ILE C . 18314 1 1394 . 2 2 44 44 ILE CA C 13 60.391 0.4 . 1 . . . . 144 ILE CA . 18314 1 1395 . 2 2 44 44 ILE CB C 13 35.555 0.4 . 1 . . . . 144 ILE CB . 18314 1 1396 . 2 2 44 44 ILE CG1 C 13 25.628 0.4 . 1 . . . . 144 ILE CG1 . 18314 1 1397 . 2 2 44 44 ILE CG2 C 13 14.741 0.4 . 1 . . . . 144 ILE CG2 . 18314 1 1398 . 2 2 44 44 ILE CD1 C 13 10.478 0.4 . 1 . . . . 144 ILE CD1 . 18314 1 1399 . 2 2 44 44 ILE N N 15 122.567 0.4 . 1 . . . . 144 ILE N . 18314 1 1400 . 2 2 45 45 ILE H H 1 8.09 0.04 . 1 . . . . 145 ILE HN . 18314 1 1401 . 2 2 45 45 ILE HA H 1 3.934 0.04 . 1 . . . . 145 ILE HA . 18314 1 1402 . 2 2 45 45 ILE HB H 1 1.866 0.04 . 1 . . . . 145 ILE HB . 18314 1 1403 . 2 2 45 45 ILE HG12 H 1 1.567 0.04 . 2 . . . . 145 ILE QG1 . 18314 1 1404 . 2 2 45 45 ILE HG13 H 1 1.567 0.04 . 2 . . . . 145 ILE QG1 . 18314 1 1405 . 2 2 45 45 ILE HG21 H 1 0.867 0.04 . 1 . . . . 145 ILE QG2 . 18314 1 1406 . 2 2 45 45 ILE HG22 H 1 0.867 0.04 . 1 . . . . 145 ILE QG2 . 18314 1 1407 . 2 2 45 45 ILE HG23 H 1 0.867 0.04 . 1 . . . . 145 ILE QG2 . 18314 1 1408 . 2 2 45 45 ILE HD11 H 1 0.787 0.04 . 1 . . . . 145 ILE QD1 . 18314 1 1409 . 2 2 45 45 ILE HD12 H 1 0.787 0.04 . 1 . . . . 145 ILE QD1 . 18314 1 1410 . 2 2 45 45 ILE HD13 H 1 0.787 0.04 . 1 . . . . 145 ILE QD1 . 18314 1 1411 . 2 2 45 45 ILE C C 13 174.391 0.4 . 1 . . . . 145 ILE C . 18314 1 1412 . 2 2 45 45 ILE CA C 13 60.368 0.4 . 1 . . . . 145 ILE CA . 18314 1 1413 . 2 2 45 45 ILE CB C 13 35.372 0.4 . 1 . . . . 145 ILE CB . 18314 1 1414 . 2 2 45 45 ILE CG1 C 13 25.477 0.4 . 1 . . . . 145 ILE CG1 . 18314 1 1415 . 2 2 45 45 ILE CG2 C 13 14.728 0.4 . 1 . . . . 145 ILE CG2 . 18314 1 1416 . 2 2 45 45 ILE CD1 C 13 10.359 0.4 . 1 . . . . 145 ILE CD1 . 18314 1 1417 . 2 2 45 45 ILE N N 15 122.608 0.4 . 1 . . . . 145 ILE N . 18314 1 1418 . 2 2 46 46 ARG H H 1 8.257 0.04 . 1 . . . . 146 ARG HN . 18314 1 1419 . 2 2 46 46 ARG HA H 1 4.117 0.04 . 1 . . . . 146 ARG HA . 18314 1 1420 . 2 2 46 46 ARG HB2 H 1 1.898 0.04 . 2 . . . . 146 ARG HB2 . 18314 1 1421 . 2 2 46 46 ARG HB3 H 1 1.852 0.04 . 2 . . . . 146 ARG HB3 . 18314 1 1422 . 2 2 46 46 ARG HG2 H 1 1.646 0.04 . 2 . . . . 146 ARG HG2 . 18314 1 1423 . 2 2 46 46 ARG HG3 H 1 1.606 0.04 . 2 . . . . 146 ARG HG3 . 18314 1 1424 . 2 2 46 46 ARG HD2 H 1 3.204 0.04 . 2 . . . . 146 ARG QD . 18314 1 1425 . 2 2 46 46 ARG HD3 H 1 3.204 0.04 . 2 . . . . 146 ARG QD . 18314 1 1426 . 2 2 46 46 ARG C C 13 174.157 0.4 . 1 . . . . 146 ARG C . 18314 1 1427 . 2 2 46 46 ARG CA C 13 54.655 0.4 . 1 . . . . 146 ARG CA . 18314 1 1428 . 2 2 46 46 ARG CB C 13 27.7 0.4 . 1 . . . . 146 ARG CB . 18314 1 1429 . 2 2 46 46 ARG CG C 13 24.271 0.4 . 1 . . . . 146 ARG CG . 18314 1 1430 . 2 2 46 46 ARG CD C 13 40.509 0.4 . 1 . . . . 146 ARG CD . 18314 1 1431 . 2 2 46 46 ARG N N 15 122.487 0.4 . 1 . . . . 146 ARG N . 18314 1 1432 . 2 2 47 47 SER H H 1 8.168 0.04 . 1 . . . . 147 SER HN . 18314 1 1433 . 2 2 47 47 SER HA H 1 4.386 0.04 . 1 . . . . 147 SER HA . 18314 1 1434 . 2 2 47 47 SER HB2 H 1 3.931 0.04 . 2 . . . . 147 SER QB . 18314 1 1435 . 2 2 47 47 SER HB3 H 1 3.931 0.04 . 2 . . . . 147 SER QB . 18314 1 1436 . 2 2 47 47 SER C C 13 174.358 0.4 . 1 . . . . 147 SER C . 18314 1 1437 . 2 2 47 47 SER CA C 13 56.389 0.4 . 1 . . . . 147 SER CA . 18314 1 1438 . 2 2 47 47 SER CB C 13 60.948 0.4 . 1 . . . . 147 SER CB . 18314 1 1439 . 2 2 47 47 SER N N 15 115.742 0.4 . 1 . . . . 147 SER N . 18314 1 1440 . 2 2 48 48 GLU H H 1 8.373 0.04 . 1 . . . . 148 GLU HN . 18314 1 1441 . 2 2 48 48 GLU HA H 1 4.314 0.04 . 1 . . . . 148 GLU HA . 18314 1 1442 . 2 2 48 48 GLU HB2 H 1 2.073 0.04 . 2 . . . . 148 GLU QB . 18314 1 1443 . 2 2 48 48 GLU HB3 H 1 2.073 0.04 . 2 . . . . 148 GLU QB . 18314 1 1444 . 2 2 48 48 GLU HG2 H 1 2.35 0.04 . 2 . . . . 148 GLU HG2 . 18314 1 1445 . 2 2 48 48 GLU HG3 H 1 2.306 0.04 . 2 . . . . 148 GLU HG3 . 18314 1 1446 . 2 2 48 48 GLU C C 13 172.539 0.4 . 1 . . . . 148 GLU C . 18314 1 1447 . 2 2 48 48 GLU CA C 13 54.281 0.4 . 1 . . . . 148 GLU CA . 18314 1 1448 . 2 2 48 48 GLU CB C 13 27.19 0.4 . 1 . . . . 148 GLU CB . 18314 1 1449 . 2 2 48 48 GLU CG C 13 33.372 0.4 . 1 . . . . 148 GLU CG . 18314 1 1450 . 2 2 48 48 GLU N N 15 121.634 0.4 . 1 . . . . 148 GLU N . 18314 1 1451 . 2 2 49 49 LEU H H 1 8.013 0.04 . 1 . . . . 149 LEU HN . 18314 1 1452 . 2 2 49 49 LEU HA H 1 4.333 0.04 . 1 . . . . 149 LEU HA . 18314 1 1453 . 2 2 49 49 LEU HB2 H 1 1.77 0.04 . 2 . . . . 149 LEU HB2 . 18314 1 1454 . 2 2 49 49 LEU HB3 H 1 1.591 0.04 . 2 . . . . 149 LEU HB3 . 18314 1 1455 . 2 2 49 49 LEU HG H 1 1.688 0.04 . 1 . . . . 149 LEU HG . 18314 1 1456 . 2 2 49 49 LEU HD11 H 1 0.865 0.04 . 2 . . . . 149 LEU QD1 . 18314 1 1457 . 2 2 49 49 LEU HD12 H 1 0.865 0.04 . 2 . . . . 149 LEU QD1 . 18314 1 1458 . 2 2 49 49 LEU HD13 H 1 0.865 0.04 . 2 . . . . 149 LEU QD1 . 18314 1 1459 . 2 2 49 49 LEU HD21 H 1 0.834 0.04 . 2 . . . . 149 LEU QD2 . 18314 1 1460 . 2 2 49 49 LEU HD22 H 1 0.834 0.04 . 2 . . . . 149 LEU QD2 . 18314 1 1461 . 2 2 49 49 LEU HD23 H 1 0.834 0.04 . 2 . . . . 149 LEU QD2 . 18314 1 1462 . 2 2 49 49 LEU C C 13 174.246 0.4 . 1 . . . . 149 LEU C . 18314 1 1463 . 2 2 49 49 LEU CA C 13 52.903 0.4 . 1 . . . . 149 LEU CA . 18314 1 1464 . 2 2 49 49 LEU CB C 13 39.344 0.4 . 1 . . . . 149 LEU CB . 18314 1 1465 . 2 2 49 49 LEU CG C 13 24.131 0.4 . 1 . . . . 149 LEU CG . 18314 1 1466 . 2 2 49 49 LEU CD1 C 13 20.69 0.4 . 2 . . . . 149 LEU CD1 . 18314 1 1467 . 2 2 49 49 LEU CD2 C 13 20.488 0.4 . 2 . . . . 149 LEU CD2 . 18314 1 1468 . 2 2 49 49 LEU N N 15 120.267 0.4 . 1 . . . . 149 LEU N . 18314 1 1469 . 2 2 50 50 MET H H 1 8.039 0.04 . 1 . . . . 150 MET HN . 18314 1 1470 . 2 2 50 50 MET HA H 1 4.567 0.04 . 1 . . . . 150 MET HA . 18314 1 1471 . 2 2 50 50 MET HB2 H 1 2.101 0.04 . 2 . . . . 150 MET HB2 . 18314 1 1472 . 2 2 50 50 MET HB3 H 1 2.013 0.04 . 2 . . . . 150 MET HB3 . 18314 1 1473 . 2 2 50 50 MET HG2 H 1 2.605 0.04 . 2 . . . . 150 MET HG2 . 18314 1 1474 . 2 2 50 50 MET HG3 H 1 2.544 0.04 . 2 . . . . 150 MET HG3 . 18314 1 1475 . 2 2 50 50 MET C C 13 174.659 0.4 . 1 . . . . 150 MET C . 18314 1 1476 . 2 2 50 50 MET CA C 13 52.67 0.4 . 1 . . . . 150 MET CA . 18314 1 1477 . 2 2 50 50 MET CB C 13 30.092 0.4 . 1 . . . . 150 MET CB . 18314 1 1478 . 2 2 50 50 MET CG C 13 29.461 0.4 . 1 . . . . 150 MET CG . 18314 1 1479 . 2 2 50 50 MET N N 15 119.263 0.4 . 1 . . . . 150 MET N . 18314 1 1480 . 2 2 51 51 ASP H H 1 8.191 0.04 . 1 . . . . 151 ASP HN . 18314 1 1481 . 2 2 51 51 ASP HA H 1 4.658 0.04 . 1 . . . . 151 ASP HA . 18314 1 1482 . 2 2 51 51 ASP HB2 H 1 2.764 0.04 . 2 . . . . 151 ASP HB2 . 18314 1 1483 . 2 2 51 51 ASP HB3 H 1 2.63 0.04 . 2 . . . . 151 ASP HB3 . 18314 1 1484 . 2 2 51 51 ASP C C 13 171.647 0.4 . 1 . . . . 151 ASP C . 18314 1 1485 . 2 2 51 51 ASP CA C 13 51.582 0.4 . 1 . . . . 151 ASP CA . 18314 1 1486 . 2 2 51 51 ASP CB C 13 38.354 0.4 . 1 . . . . 151 ASP CB . 18314 1 1487 . 2 2 51 51 ASP N N 15 121.161 0.4 . 1 . . . . 151 ASP N . 18314 1 1488 . 2 2 52 52 ALA H H 1 7.762 0.04 . 1 . . . . 152 ALA HN . 18314 1 1489 . 2 2 52 52 ALA HA H 1 4.13 0.04 . 1 . . . . 152 ALA HA . 18314 1 1490 . 2 2 52 52 ALA HB1 H 1 1.355 0.04 . 1 . . . . 152 ALA QB . 18314 1 1491 . 2 2 52 52 ALA HB2 H 1 1.355 0.04 . 1 . . . . 152 ALA QB . 18314 1 1492 . 2 2 52 52 ALA HB3 H 1 1.355 0.04 . 1 . . . . 152 ALA QB . 18314 1 1493 . 2 2 52 52 ALA C C 13 172.092 0.4 . 1 . . . . 152 ALA C . 18314 1 1494 . 2 2 52 52 ALA CA C 13 51.086 0.4 . 1 . . . . 152 ALA CA . 18314 1 1495 . 2 2 52 52 ALA CB C 13 17.576 0.4 . 1 . . . . 152 ALA CB . 18314 1 1496 . 2 2 52 52 ALA N N 15 129.167 0.4 . 1 . . . . 152 ALA N . 18314 1 stop_ save_