data_17274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17274 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the IIA(Chitobiose)-HPr Complex of the N,N'-Diacetylchitobiose Branch of the Escherichia coli Phosphotransferase System ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-02 _Entry.Accession_date 2010-11-02 _Entry.Last_release_date 2015-07-24 _Entry.Original_release_date 2015-07-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1-103, 201-303 and 401-503 are the subunits of IIA and are identical, and 601-685 is the subunit of HPr.' _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 Young-Sang Jung . . . 17274 2 Mengli Cai . . . 17274 3 Marius Clore . G. . 17274 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' . 17274 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHITOBIOSE . 17274 KINASE . 17274 'PHOSPHOTRANSFERASE SYSTEM' . 17274 'SUGAR TRANSPORT' . 17274 TRANSFERASE . 17274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 689 17274 '15N chemical shifts' 181 17274 '1H chemical shifts' 997 17274 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-21 2010-11-02 update BMRB 'update entry citation' 17274 1 . . 2012-05-22 2010-11-02 original author 'original release' 17274 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22593574 _Citation.Full_citation . _Citation.Title ; Solution Structure of the IIAChitobiose-HPr Complex of the N,N'-Diacetylchitobiose Branch of the Escherichia coli Phosphotransferase System. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 28 _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 23819 _Citation.Page_last 23829 _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 Young-Sang Jung . . . 17274 1 2 Mengli Cai . . . 17274 1 3 'G. Marius' Clore . . . 17274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17274 _Assembly.ID 1 _Assembly.Name "IIA(CHITOBIOSE)-HPr COMPLEX OF THE N,N'-DIACETYLCHITOBOISE BRANCE OF THE E. COLI PHOSPHOTRANSFERASE SYSTEM" _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Chain 1' 1 $EII-A(CHITOBIOSE) A . yes native no no . . . 17274 1 2 'Chain 4' 2 $HPr B . yes native no no . . . 17274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EII-A(CHITOBIOSE) _Entity.Sf_category entity _Entity.Sf_framecode EII-A(CHITOBIOSE) _Entity.Entry_ID 17274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EII-A(CHITOBIOSE) _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 ; AEELEEVVMGLIINSGQARS LAYAALKQAKQGDFAAAKAM MDQSRMALNEAHLVQTKLIE GDAGEGKMKVSLVLVEAQLH LMTSMLARELITELIELHEK LKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation H76E _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 18379 . entity_1 . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 17274 1 2 no PDB 1WCR . "Trimeric Structure Of The Enzyme Iia From Escherichia Coli Phosphotransferase System Specific For N,N'- Diacetylchitobiose" . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 17274 1 3 no PDB 2LRK . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose" . . . . . 100.00 103 100.00 100.00 3.77e-63 . . . . 17274 1 4 no PDB 2LRL . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose Branch Of The Escherichia Coli Phosphotr" . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 17274 1 5 no PDB 2WWV . "Nmr Structure Of The Iiachitobiose-Iibchitobiose Complex Of The N,N'-Diacetylchitoboise Brance Of The E. Coli Phosphotransferas" . . . . . 100.00 103 100.00 100.00 3.77e-63 . . . . 17274 1 6 no PDB 2WY2 . "Nmr Structure Of The Iiachitobiose-Iibchitobiose Phosphoryl Transition State Complex Of The N,N'-Diacetylchitoboise Brance Of T" . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 17274 1 7 no DBJ BAA15517 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 8 no DBJ BAB35865 . "PEP-dependent phosphotransferase enzyme III for cellobiose [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 9 no DBJ BAG77430 . "PTS system cellobiose-specific IIA component [Escherichia coli SE11]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 10 no DBJ BAI25752 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 116 97.09 97.09 1.07e-59 . . . . 17274 1 11 no DBJ BAI30730 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 12 no EMBL CAP76230 . "N,N'-diacetylchitobiose-specific phosphotransferase [Escherichia coli LF82]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 13 no EMBL CAQ32210 . "chbA, subunit of EIIChb [Escherichia coli BL21(DE3)]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 14 no EMBL CAQ98653 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli IAI1]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 15 no EMBL CAR03096 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli S88]" . . . . . 100.00 116 97.09 97.09 1.47e-60 . . . . 17274 1 16 no EMBL CAR08131 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli ED1a]" . . . . . 100.00 116 97.09 97.09 1.47e-60 . . . . 17274 1 17 no GB AAA23551 . "PTS enzyme III cel [Escherichia coli]" . . . . . 92.23 116 97.89 97.89 1.03e-55 . . . . 17274 1 18 no GB AAA23552 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 19 no GB AAA23553 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 20 no GB AAA23554 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 21 no GB AAA23555 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 22 no REF NP_310469 . "PTS system N,N'-diacetylchitobiose-specific transporter subunit IIA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 23 no REF NP_416250 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 24 no REF NP_707375 . "PTS system N,N'-diacetylchitobiose-specific transporter subunit IIA [Shigella flexneri 2a str. 301]" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 25 no REF WP_000522898 . "PTS N'-diacetylchitobiose transporter subunit IIA [Shigella flexneri]" . . . . . 92.23 95 97.89 97.89 8.52e-56 . . . . 17274 1 26 no REF WP_000968907 . "PTS N'-diacetylchitobiose transporter subunit IIA [Escherichia coli]" . . . . . 100.00 116 98.06 98.06 5.53e-61 . . . . 17274 1 27 no SP P69791 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 28 no SP P69792 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 29 no SP P69793 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 1 30 no SP P69794 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 98.06 98.06 4.80e-61 . . . . 17274 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 . ALA . 17274 1 2 . GLU . 17274 1 3 . GLU . 17274 1 4 . LEU . 17274 1 5 . GLU . 17274 1 6 . GLU . 17274 1 7 . VAL . 17274 1 8 . VAL . 17274 1 9 . MET . 17274 1 10 . GLY . 17274 1 11 . LEU . 17274 1 12 . ILE . 17274 1 13 . ILE . 17274 1 14 . ASN . 17274 1 15 . SER . 17274 1 16 . GLY . 17274 1 17 . GLN . 17274 1 18 . ALA . 17274 1 19 . ARG . 17274 1 20 . SER . 17274 1 21 . LEU . 17274 1 22 . ALA . 17274 1 23 . TYR . 17274 1 24 . ALA . 17274 1 25 . ALA . 17274 1 26 . LEU . 17274 1 27 . LYS . 17274 1 28 . GLN . 17274 1 29 . ALA . 17274 1 30 . LYS . 17274 1 31 . GLN . 17274 1 32 . GLY . 17274 1 33 . ASP . 17274 1 34 . PHE . 17274 1 35 . ALA . 17274 1 36 . ALA . 17274 1 37 . ALA . 17274 1 38 . LYS . 17274 1 39 . ALA . 17274 1 40 . MET . 17274 1 41 . MET . 17274 1 42 . ASP . 17274 1 43 . GLN . 17274 1 44 . SER . 17274 1 45 . ARG . 17274 1 46 . MET . 17274 1 47 . ALA . 17274 1 48 . LEU . 17274 1 49 . ASN . 17274 1 50 . GLU . 17274 1 51 . ALA . 17274 1 52 . HIS . 17274 1 53 . LEU . 17274 1 54 . VAL . 17274 1 55 . GLN . 17274 1 56 . THR . 17274 1 57 . LYS . 17274 1 58 . LEU . 17274 1 59 . ILE . 17274 1 60 . GLU . 17274 1 61 . GLY . 17274 1 62 . ASP . 17274 1 63 . ALA . 17274 1 64 . GLY . 17274 1 65 . GLU . 17274 1 66 . GLY . 17274 1 67 . LYS . 17274 1 68 . MET . 17274 1 69 . LYS . 17274 1 70 . VAL . 17274 1 71 . SER . 17274 1 72 . LEU . 17274 1 73 . VAL . 17274 1 74 . LEU . 17274 1 75 . VAL . 17274 1 76 . GLU . 17274 1 77 . ALA . 17274 1 78 . GLN . 17274 1 79 . LEU . 17274 1 80 . HIS . 17274 1 81 . LEU . 17274 1 82 . MET . 17274 1 83 . THR . 17274 1 84 . SER . 17274 1 85 . MET . 17274 1 86 . LEU . 17274 1 87 . ALA . 17274 1 88 . ARG . 17274 1 89 . GLU . 17274 1 90 . LEU . 17274 1 91 . ILE . 17274 1 92 . THR . 17274 1 93 . GLU . 17274 1 94 . LEU . 17274 1 95 . ILE . 17274 1 96 . GLU . 17274 1 97 . LEU . 17274 1 98 . HIS . 17274 1 99 . GLU . 17274 1 100 . LYS . 17274 1 101 . LEU . 17274 1 102 . LYS . 17274 1 103 . ALA . 17274 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 . ALA 1 1 17274 1 . GLU 2 2 17274 1 . GLU 3 3 17274 1 . LEU 4 4 17274 1 . GLU 5 5 17274 1 . GLU 6 6 17274 1 . VAL 7 7 17274 1 . VAL 8 8 17274 1 . MET 9 9 17274 1 . GLY 10 10 17274 1 . LEU 11 11 17274 1 . ILE 12 12 17274 1 . ILE 13 13 17274 1 . ASN 14 14 17274 1 . SER 15 15 17274 1 . GLY 16 16 17274 1 . GLN 17 17 17274 1 . ALA 18 18 17274 1 . ARG 19 19 17274 1 . SER 20 20 17274 1 . LEU 21 21 17274 1 . ALA 22 22 17274 1 . TYR 23 23 17274 1 . ALA 24 24 17274 1 . ALA 25 25 17274 1 . LEU 26 26 17274 1 . LYS 27 27 17274 1 . GLN 28 28 17274 1 . ALA 29 29 17274 1 . LYS 30 30 17274 1 . GLN 31 31 17274 1 . GLY 32 32 17274 1 . ASP 33 33 17274 1 . PHE 34 34 17274 1 . ALA 35 35 17274 1 . ALA 36 36 17274 1 . ALA 37 37 17274 1 . LYS 38 38 17274 1 . ALA 39 39 17274 1 . MET 40 40 17274 1 . MET 41 41 17274 1 . ASP 42 42 17274 1 . GLN 43 43 17274 1 . SER 44 44 17274 1 . ARG 45 45 17274 1 . MET 46 46 17274 1 . ALA 47 47 17274 1 . LEU 48 48 17274 1 . ASN 49 49 17274 1 . GLU 50 50 17274 1 . ALA 51 51 17274 1 . HIS 52 52 17274 1 . LEU 53 53 17274 1 . VAL 54 54 17274 1 . GLN 55 55 17274 1 . THR 56 56 17274 1 . LYS 57 57 17274 1 . LEU 58 58 17274 1 . ILE 59 59 17274 1 . GLU 60 60 17274 1 . GLY 61 61 17274 1 . ASP 62 62 17274 1 . ALA 63 63 17274 1 . GLY 64 64 17274 1 . GLU 65 65 17274 1 . GLY 66 66 17274 1 . LYS 67 67 17274 1 . MET 68 68 17274 1 . LYS 69 69 17274 1 . VAL 70 70 17274 1 . SER 71 71 17274 1 . LEU 72 72 17274 1 . VAL 73 73 17274 1 . LEU 74 74 17274 1 . VAL 75 75 17274 1 . GLU 76 76 17274 1 . ALA 77 77 17274 1 . GLN 78 78 17274 1 . LEU 79 79 17274 1 . HIS 80 80 17274 1 . LEU 81 81 17274 1 . MET 82 82 17274 1 . THR 83 83 17274 1 . SER 84 84 17274 1 . MET 85 85 17274 1 . LEU 86 86 17274 1 . ALA 87 87 17274 1 . ARG 88 88 17274 1 . GLU 89 89 17274 1 . LEU 90 90 17274 1 . ILE 91 91 17274 1 . THR 92 92 17274 1 . GLU 93 93 17274 1 . LEU 94 94 17274 1 . ILE 95 95 17274 1 . GLU 96 96 17274 1 . LEU 97 97 17274 1 . HIS 98 98 17274 1 . GLU 99 99 17274 1 . LYS 100 100 17274 1 . LEU 101 101 17274 1 . LYS 102 102 17274 1 . ALA 103 103 17274 1 stop_ save_ save_HPr _Entity.Sf_category entity _Entity.Sf_framecode HPr _Entity.Entry_ID 17274 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HPr _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 601 MET . 17274 2 2 602 PHE . 17274 2 3 603 GLN . 17274 2 4 604 GLN . 17274 2 5 605 GLU . 17274 2 6 606 VAL . 17274 2 7 607 THR . 17274 2 8 608 ILE . 17274 2 9 609 THR . 17274 2 10 610 ALA . 17274 2 11 611 PRO . 17274 2 12 612 ASN . 17274 2 13 613 GLY . 17274 2 14 614 LEU . 17274 2 15 615 HIS . 17274 2 16 616 THR . 17274 2 17 617 ARG . 17274 2 18 618 PRO . 17274 2 19 619 ALA . 17274 2 20 620 ALA . 17274 2 21 621 GLN . 17274 2 22 622 PHE . 17274 2 23 623 VAL . 17274 2 24 624 LYS . 17274 2 25 625 GLU . 17274 2 26 626 ALA . 17274 2 27 627 LYS . 17274 2 28 628 GLY . 17274 2 29 629 PHE . 17274 2 30 630 THR . 17274 2 31 631 SER . 17274 2 32 632 GLU . 17274 2 33 633 ILE . 17274 2 34 634 THR . 17274 2 35 635 VAL . 17274 2 36 636 THR . 17274 2 37 637 SER . 17274 2 38 638 ASN . 17274 2 39 639 GLY . 17274 2 40 640 LYS . 17274 2 41 641 SER . 17274 2 42 642 ALA . 17274 2 43 643 SER . 17274 2 44 644 ALA . 17274 2 45 645 LYS . 17274 2 46 646 SER . 17274 2 47 647 LEU . 17274 2 48 648 PHE . 17274 2 49 649 LYS . 17274 2 50 650 LEU . 17274 2 51 651 GLN . 17274 2 52 652 THR . 17274 2 53 653 LEU . 17274 2 54 654 GLY . 17274 2 55 655 LEU . 17274 2 56 656 THR . 17274 2 57 657 GLN . 17274 2 58 658 GLY . 17274 2 59 659 THR . 17274 2 60 660 VAL . 17274 2 61 661 VAL . 17274 2 62 662 THR . 17274 2 63 663 ILE . 17274 2 64 664 SER . 17274 2 65 665 ALA . 17274 2 66 666 GLU . 17274 2 67 667 GLY . 17274 2 68 668 GLU . 17274 2 69 669 ASP . 17274 2 70 670 GLU . 17274 2 71 671 GLN . 17274 2 72 672 LYS . 17274 2 73 673 ALA . 17274 2 74 674 VAL . 17274 2 75 675 GLU . 17274 2 76 676 HIS . 17274 2 77 677 LEU . 17274 2 78 678 VAL . 17274 2 79 679 LYS . 17274 2 80 680 LEU . 17274 2 81 681 MET . 17274 2 82 682 ALA . 17274 2 83 683 GLU . 17274 2 84 684 LEU . 17274 2 85 685 GLU . 17274 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 . MET 1 1 17274 2 . PHE 2 2 17274 2 . GLN 3 3 17274 2 . GLN 4 4 17274 2 . GLU 5 5 17274 2 . VAL 6 6 17274 2 . THR 7 7 17274 2 . ILE 8 8 17274 2 . THR 9 9 17274 2 . ALA 10 10 17274 2 . PRO 11 11 17274 2 . ASN 12 12 17274 2 . GLY 13 13 17274 2 . LEU 14 14 17274 2 . HIS 15 15 17274 2 . THR 16 16 17274 2 . ARG 17 17 17274 2 . PRO 18 18 17274 2 . ALA 19 19 17274 2 . ALA 20 20 17274 2 . GLN 21 21 17274 2 . PHE 22 22 17274 2 . VAL 23 23 17274 2 . LYS 24 24 17274 2 . GLU 25 25 17274 2 . ALA 26 26 17274 2 . LYS 27 27 17274 2 . GLY 28 28 17274 2 . PHE 29 29 17274 2 . THR 30 30 17274 2 . SER 31 31 17274 2 . GLU 32 32 17274 2 . ILE 33 33 17274 2 . THR 34 34 17274 2 . VAL 35 35 17274 2 . THR 36 36 17274 2 . SER 37 37 17274 2 . ASN 38 38 17274 2 . GLY 39 39 17274 2 . LYS 40 40 17274 2 . SER 41 41 17274 2 . ALA 42 42 17274 2 . SER 43 43 17274 2 . ALA 44 44 17274 2 . LYS 45 45 17274 2 . SER 46 46 17274 2 . LEU 47 47 17274 2 . PHE 48 48 17274 2 . LYS 49 49 17274 2 . LEU 50 50 17274 2 . GLN 51 51 17274 2 . THR 52 52 17274 2 . LEU 53 53 17274 2 . GLY 54 54 17274 2 . LEU 55 55 17274 2 . THR 56 56 17274 2 . GLN 57 57 17274 2 . GLY 58 58 17274 2 . THR 59 59 17274 2 . VAL 60 60 17274 2 . VAL 61 61 17274 2 . THR 62 62 17274 2 . ILE 63 63 17274 2 . SER 64 64 17274 2 . ALA 65 65 17274 2 . GLU 66 66 17274 2 . GLY 67 67 17274 2 . GLU 68 68 17274 2 . ASP 69 69 17274 2 . GLU 70 70 17274 2 . GLN 71 71 17274 2 . LYS 72 72 17274 2 . ALA 73 73 17274 2 . VAL 74 74 17274 2 . GLU 75 75 17274 2 . HIS 76 76 17274 2 . LEU 77 77 17274 2 . VAL 78 78 17274 2 . LYS 79 79 17274 2 . LEU 80 80 17274 2 . MET 81 81 17274 2 . ALA 82 82 17274 2 . GLU 83 83 17274 2 . LEU 84 84 17274 2 . GLU 85 85 17274 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 17274 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EII-A(CHITOBIOSE) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 17274 1 2 2 $HPr . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 17274 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 17274 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EII-A(CHITOBIOSE) . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a . . . 17274 1 2 2 $HPr . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a . . . 17274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17274 _Sample.ID 1 _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 IIAChb*(H89E) [13CH3-ILV]/[2H/13C/15N] . . 1 $EII-A(CHITOBIOSE) . . 3 . . mM . . . . 17274 1 2 HPr '[1H-Leu, Met, Try]/[2H/12C/14N]' . . 2 $HPr . . 1 . . mM . . . . 17274 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17274 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17274 1 stop_ save_ save_IIA(H89E)_Free _Sample.Sf_category sample _Sample.Sf_framecode IIA(H89E)_Free _Sample.Entry_ID 17274 _Sample.ID 2 _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 IIAChb*(H89E) [13CH3-ILV]/[2H/13C/15N] . . 1 $EII-A(CHITOBIOSE) . . 3 . . mM . . . . 17274 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17274 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17274 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17274 2 stop_ save_ save_Free_HPr _Sample.Sf_category sample _Sample.Sf_framecode Free_HPr _Sample.Entry_ID 17274 _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 HPr '[U-100% 13C; U-100% 15N]' . . 2 $HPr . . 1 . . mM . . . . 17274 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17274 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17274 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17274 3 stop_ save_ save_Complex_HPr _Sample.Sf_category sample _Sample.Sf_framecode Complex_HPr _Sample.Entry_ID 17274 _Sample.ID 4 _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 HPr '[U-100% 13C; U-100% 15N]' . . 2 $HPr . . 1 . . mM . . . . 17274 4 2 IIAChb*(H89E) 'natural abundance' . . 1 $EII-A(CHITOBIOSE) . . 3 . . mM . . . . 17274 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17274 4 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17274 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17274 4 stop_ save_ save_Complex_HPr_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode Complex_HPr_in_D2O _Sample.Entry_ID 17274 _Sample.ID 5 _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 HPr '[U-100% 13C; U-100% 15N]' . . 2 $HPr . . 1 . . mM . . . . 17274 5 2 IIAChb*(H89E) 'natural abundance' . . 1 $EII-A(CHITOBIOSE) . . 3 . . mM . . . . 17274 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17274 5 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17274 5 stop_ save_ save_Free_HPr_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode Free_HPr_in_D2O _Sample.Entry_ID 17274 _Sample.ID 6 _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 HPr '[U-100% 13C; U-100% 15N]' . . 2 $HPr . . 1 . . mM . . . . 17274 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17274 6 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17274 6 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 17274 _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' 0.0 . M 17274 1 pH 7.4 . pH 17274 1 pressure 1 . atm 17274 1 temperature 293 . K 17274 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17274 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17274 1 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 17274 _Software.ID 2 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MARS) Jung, Zweckstetter' . . 17274 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17274 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17274 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17274 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17274 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17274 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17274 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17274 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17274 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17274 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17274 5 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 17274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17274 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17274 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17274 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 17274 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17274 _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 DMX . 500 . . . 17274 1 2 spectrometer_2 Bruker DMX . 600 . . . 17274 1 3 spectrometer_3 Bruker DRX . 600 . . . 17274 1 4 spectrometer_4 Bruker DRX . 800 . . . 17274 1 5 spectrometer_5 Bruker DRX . 900 . . . 17274 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 17274 _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 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17274 1 2 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 3 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 4 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 5 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 6 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 7 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 8 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 9 'isotope-filtered/isotope-separated intermolecular NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $IIA(H89E)_Free isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $Free_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 12 '3D HNCA' no . . . . . . . . . . 3 $Free_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 13 '3D HN(CO)CA' no . . . . . . . . . . 3 $Free_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 14 '3D HN(COCA)CB' no . . . . . . . . . . 3 $Free_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 15 '3D HN(CA)CB' no . . . . . . . . . . 3 $Free_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 16 '3D HNCA' no . . . . . . . . . . 4 $Complex_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 17 '3D HN(CO)CA' no . . . . . . . . . . 4 $Complex_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 18 '3D (COCA)CB' no . . . . . . . . . . 4 $Complex_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 19 '3D (CA)CB' no . . . . . . . . . . 4 $Complex_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 20 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $Complex_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 21 '3D H(CCO)NH' no . . . . . . . . . . 4 $Complex_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 22 '3D H(CCO)NH' no . . . . . . . . . . 3 $Free_HPr isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 23 '3D H(CCO)NH' no . . . . . . . . . . 6 $Free_HPr_in_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 1 24 '3D H(CCO)NH' no . . . . . . . . . . 5 $Complex_HPr_in_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17274 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 17274 _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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 17274 1 H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . . . . . 17274 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 17274 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 17274 _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 10 '3D H(CCO)NH' . . . 17274 1 11 '3D 1H-13C NOESY' . . . 17274 1 12 '3D HNCA' . . . 17274 1 13 '3D HN(CO)CA' . . . 17274 1 18 '3D (COCA)CB' . . . 17274 1 19 '3D (CA)CB' . . . 17274 1 20 '3D 1H-13C NOESY' . . . 17274 1 21 '3D H(CCO)NH' . . . 17274 1 22 '3D H(CCO)NH' . . . 17274 1 23 '3D H(CCO)NH' . . . 17274 1 24 '3D H(CCO)NH' . . . 17274 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $MARS . . 17274 1 3 $PIPP . . 17274 1 4 $NMRPipe . . 17274 1 5 $SPARKY . . 17274 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.388 . . 1 . . . . 2 GLU HA . 17274 1 2 . 1 1 2 2 GLU HB2 H 1 1.940 . . 2 . . . . 2 GLU HB1 . 17274 1 3 . 1 1 2 2 GLU HB3 H 1 2.110 . . 2 . . . . 2 GLU HB2 . 17274 1 4 . 1 1 2 2 GLU HG2 H 1 2.282 . . 2 . . . . 2 GLU HG1 . 17274 1 5 . 1 1 2 2 GLU HG3 H 1 2.282 . . 2 . . . . 2 GLU HG2 . 17274 1 6 . 1 1 2 2 GLU C C 13 176.335 . . 1 . . . . 2 GLU C . 17274 1 7 . 1 1 2 2 GLU CA C 13 56.591 . . 1 . . . . 2 GLU CA . 17274 1 8 . 1 1 2 2 GLU CB C 13 30.439 . . 1 . . . . 2 GLU CB . 17274 1 9 . 1 1 2 2 GLU CG C 13 36.457 . . 1 . . . . 2 GLU CG . 17274 1 10 . 1 1 3 3 GLU H H 1 8.765 . . 1 . . . . 3 GLU HN . 17274 1 11 . 1 1 3 3 GLU HA H 1 4.356 . . 1 . . . . 3 GLU HA . 17274 1 12 . 1 1 3 3 GLU HB2 H 1 1.940 . . 2 . . . . 3 GLU HB1 . 17274 1 13 . 1 1 3 3 GLU HB3 H 1 2.110 . . 2 . . . . 3 GLU HB2 . 17274 1 14 . 1 1 3 3 GLU HG2 H 1 2.280 . . 2 . . . . 3 GLU HG1 . 17274 1 15 . 1 1 3 3 GLU HG3 H 1 2.340 . . 2 . . . . 3 GLU HG2 . 17274 1 16 . 1 1 3 3 GLU C C 13 177.487 . . 1 . . . . 3 GLU C . 17274 1 17 . 1 1 3 3 GLU CA C 13 56.653 . . 1 . . . . 3 GLU CA . 17274 1 18 . 1 1 3 3 GLU CB C 13 29.394 . . 1 . . . . 3 GLU CB . 17274 1 19 . 1 1 3 3 GLU CG C 13 36.320 . . 1 . . . . 3 GLU CG . 17274 1 20 . 1 1 3 3 GLU N N 15 122.694 . . 1 . . . . 3 GLU N . 17274 1 21 . 1 1 4 4 LEU H H 1 8.578 . . 1 . . . . 4 LEU HN . 17274 1 22 . 1 1 4 4 LEU HA H 1 4.170 . . 1 . . . . 4 LEU HA . 17274 1 23 . 1 1 4 4 LEU HB2 H 1 1.640 . . 2 . . . . 4 LEU HB1 . 17274 1 24 . 1 1 4 4 LEU HB3 H 1 1.775 . . 2 . . . . 4 LEU HB2 . 17274 1 25 . 1 1 4 4 LEU HD11 H 1 0.919 . . 2 . . . . 4 LEU HD1# . 17274 1 26 . 1 1 4 4 LEU HD12 H 1 0.919 . . 2 . . . . 4 LEU HD1# . 17274 1 27 . 1 1 4 4 LEU HD13 H 1 0.919 . . 2 . . . . 4 LEU HD1# . 17274 1 28 . 1 1 4 4 LEU HD21 H 1 0.952 . . 2 . . . . 4 LEU HD2# . 17274 1 29 . 1 1 4 4 LEU HD22 H 1 0.952 . . 2 . . . . 4 LEU HD2# . 17274 1 30 . 1 1 4 4 LEU HD23 H 1 0.952 . . 2 . . . . 4 LEU HD2# . 17274 1 31 . 1 1 4 4 LEU HG H 1 1.650 . . 1 . . . . 4 LEU HG . 17274 1 32 . 1 1 4 4 LEU C C 13 178.124 . . 1 . . . . 4 LEU C . 17274 1 33 . 1 1 4 4 LEU CA C 13 57.097 . . 1 . . . . 4 LEU CA . 17274 1 34 . 1 1 4 4 LEU CB C 13 40.973 . . 1 . . . . 4 LEU CB . 17274 1 35 . 1 1 4 4 LEU CD1 C 13 24.947 . . 2 . . . . 4 LEU CD1 . 17274 1 36 . 1 1 4 4 LEU CD2 C 13 24.668 . . 2 . . . . 4 LEU CD2 . 17274 1 37 . 1 1 4 4 LEU CG C 13 27.242 . . 1 . . . . 4 LEU CG . 17274 1 38 . 1 1 4 4 LEU N N 15 122.722 . . 1 . . . . 4 LEU N . 17274 1 39 . 1 1 5 5 GLU H H 1 8.686 . . 1 . . . . 5 GLU HN . 17274 1 40 . 1 1 5 5 GLU HA H 1 3.902 . . 1 . . . . 5 GLU HA . 17274 1 41 . 1 1 5 5 GLU HB2 H 1 2.125 . . 2 . . . . 5 GLU HB1 . 17274 1 42 . 1 1 5 5 GLU HB3 H 1 2.125 . . 2 . . . . 5 GLU HB2 . 17274 1 43 . 1 1 5 5 GLU HG2 H 1 2.338 . . 2 . . . . 5 GLU HG1 . 17274 1 44 . 1 1 5 5 GLU HG3 H 1 2.367 . . 2 . . . . 5 GLU HG2 . 17274 1 45 . 1 1 5 5 GLU C C 13 178.429 . . 1 . . . . 5 GLU C . 17274 1 46 . 1 1 5 5 GLU CA C 13 59.362 . . 1 . . . . 5 GLU CA . 17274 1 47 . 1 1 5 5 GLU CB C 13 28.900 . . 1 . . . . 5 GLU CB . 17274 1 48 . 1 1 5 5 GLU CG C 13 37.217 . . 1 . . . . 5 GLU CG . 17274 1 49 . 1 1 5 5 GLU N N 15 117.541 . . 1 . . . . 5 GLU N . 17274 1 50 . 1 1 6 6 GLU H H 1 7.832 . . 1 . . . . 6 GLU HN . 17274 1 51 . 1 1 6 6 GLU HA H 1 4.123 . . 1 . . . . 6 GLU HA . 17274 1 52 . 1 1 6 6 GLU HB2 H 1 2.150 . . 2 . . . . 6 GLU HB1 . 17274 1 53 . 1 1 6 6 GLU HB3 H 1 2.150 . . 2 . . . . 6 GLU HB2 . 17274 1 54 . 1 1 6 6 GLU HG2 H 1 2.365 . . 2 . . . . 6 GLU HG1 . 17274 1 55 . 1 1 6 6 GLU HG3 H 1 2.365 . . 2 . . . . 6 GLU HG2 . 17274 1 56 . 1 1 6 6 GLU C C 13 179.386 . . 1 . . . . 6 GLU C . 17274 1 57 . 1 1 6 6 GLU CA C 13 58.745 . . 1 . . . . 6 GLU CA . 17274 1 58 . 1 1 6 6 GLU CB C 13 28.706 . . 1 . . . . 6 GLU CB . 17274 1 59 . 1 1 6 6 GLU CG C 13 36.215 . . 1 . . . . 6 GLU CG . 17274 1 60 . 1 1 6 6 GLU N N 15 118.541 . . 1 . . . . 6 GLU N . 17274 1 61 . 1 1 7 7 VAL H H 1 7.942 . . 1 . . . . 7 VAL HN . 17274 1 62 . 1 1 7 7 VAL HA H 1 3.810 . . 1 . . . . 7 VAL HA . 17274 1 63 . 1 1 7 7 VAL HB H 1 2.245 . . 1 . . . . 7 VAL HB . 17274 1 64 . 1 1 7 7 VAL HG11 H 1 0.906 . . 2 . . . . 7 VAL HG1# . 17274 1 65 . 1 1 7 7 VAL HG12 H 1 0.906 . . 2 . . . . 7 VAL HG1# . 17274 1 66 . 1 1 7 7 VAL HG13 H 1 0.906 . . 2 . . . . 7 VAL HG1# . 17274 1 67 . 1 1 7 7 VAL HG21 H 1 1.043 . . 2 . . . . 7 VAL HG2# . 17274 1 68 . 1 1 7 7 VAL HG22 H 1 1.043 . . 2 . . . . 7 VAL HG2# . 17274 1 69 . 1 1 7 7 VAL HG23 H 1 1.043 . . 2 . . . . 7 VAL HG2# . 17274 1 70 . 1 1 7 7 VAL C C 13 179.145 . . 1 . . . . 7 VAL C . 17274 1 71 . 1 1 7 7 VAL CA C 13 65.345 . . 1 . . . . 7 VAL CA . 17274 1 72 . 1 1 7 7 VAL CB C 13 31.327 . . 1 . . . . 7 VAL CB . 17274 1 73 . 1 1 7 7 VAL CG1 C 13 22.077 . . 2 . . . . 7 VAL CG1 . 17274 1 74 . 1 1 7 7 VAL CG2 C 13 22.256 . . 2 . . . . 7 VAL CG2 . 17274 1 75 . 1 1 7 7 VAL N N 15 121.021 . . 1 . . . . 7 VAL N . 17274 1 76 . 1 1 8 8 VAL H H 1 8.273 . . 1 . . . . 8 VAL HN . 17274 1 77 . 1 1 8 8 VAL HA H 1 3.635 . . 1 . . . . 8 VAL HA . 17274 1 78 . 1 1 8 8 VAL HB H 1 2.140 . . 1 . . . . 8 VAL HB . 17274 1 79 . 1 1 8 8 VAL HG11 H 1 0.982 . . 2 . . . . 8 VAL HG1# . 17274 1 80 . 1 1 8 8 VAL HG12 H 1 0.982 . . 2 . . . . 8 VAL HG1# . 17274 1 81 . 1 1 8 8 VAL HG13 H 1 0.982 . . 2 . . . . 8 VAL HG1# . 17274 1 82 . 1 1 8 8 VAL HG21 H 1 1.029 . . 2 . . . . 8 VAL HG2# . 17274 1 83 . 1 1 8 8 VAL HG22 H 1 1.029 . . 2 . . . . 8 VAL HG2# . 17274 1 84 . 1 1 8 8 VAL HG23 H 1 1.029 . . 2 . . . . 8 VAL HG2# . 17274 1 85 . 1 1 8 8 VAL C C 13 177.379 . . 1 . . . . 8 VAL C . 17274 1 86 . 1 1 8 8 VAL CA C 13 65.908 . . 1 . . . . 8 VAL CA . 17274 1 87 . 1 1 8 8 VAL CB C 13 31.041 . . 1 . . . . 8 VAL CB . 17274 1 88 . 1 1 8 8 VAL CG1 C 13 21.160 . . 2 . . . . 8 VAL CG1 . 17274 1 89 . 1 1 8 8 VAL CG2 C 13 23.632 . . 2 . . . . 8 VAL CG2 . 17274 1 90 . 1 1 8 8 VAL N N 15 119.581 . . 1 . . . . 8 VAL N . 17274 1 91 . 1 1 9 9 MET H H 1 8.001 . . 1 . . . . 9 MET HN . 17274 1 92 . 1 1 9 9 MET HA H 1 4.228 . . 1 . . . . 9 MET HA . 17274 1 93 . 1 1 9 9 MET HB2 H 1 2.183 . . 2 . . . . 9 MET HB1 . 17274 1 94 . 1 1 9 9 MET HB3 H 1 2.183 . . 2 . . . . 9 MET HB2 . 17274 1 95 . 1 1 9 9 MET HG2 H 1 2.680 . . 2 . . . . 9 MET HG1 . 17274 1 96 . 1 1 9 9 MET HG3 H 1 2.680 . . 2 . . . . 9 MET HG2 . 17274 1 97 . 1 1 9 9 MET C C 13 178.706 . . 1 . . . . 9 MET C . 17274 1 98 . 1 1 9 9 MET CA C 13 57.831 . . 1 . . . . 9 MET CA . 17274 1 99 . 1 1 9 9 MET CB C 13 27.945 . . 1 . . . . 9 MET CB . 17274 1 100 . 1 1 9 9 MET CG C 13 32.032 . . 1 . . . . 9 MET CG . 17274 1 101 . 1 1 9 9 MET N N 15 119.636 . . 1 . . . . 9 MET N . 17274 1 102 . 1 1 10 10 GLY H H 1 7.764 . . 1 . . . . 10 GLY HN . 17274 1 103 . 1 1 10 10 GLY C C 13 176.040 . . 1 . . . . 10 GLY C . 17274 1 104 . 1 1 10 10 GLY CA C 13 46.855 . . 1 . . . . 10 GLY CA . 17274 1 105 . 1 1 10 10 GLY N N 15 105.487 . . 1 . . . . 10 GLY N . 17274 1 106 . 1 1 11 11 LEU H H 1 7.581 . . 1 . . . . 11 LEU HN . 17274 1 107 . 1 1 11 11 LEU HA H 1 4.170 . . 1 . . . . 11 LEU HA . 17274 1 108 . 1 1 11 11 LEU HB2 H 1 1.910 . . 2 . . . . 11 LEU HB1 . 17274 1 109 . 1 1 11 11 LEU HB3 H 1 1.970 . . 2 . . . . 11 LEU HB2 . 17274 1 110 . 1 1 11 11 LEU HD11 H 1 0.913 . . 2 . . . . 11 LEU HD1# . 17274 1 111 . 1 1 11 11 LEU HD12 H 1 0.913 . . 2 . . . . 11 LEU HD1# . 17274 1 112 . 1 1 11 11 LEU HD13 H 1 0.913 . . 2 . . . . 11 LEU HD1# . 17274 1 113 . 1 1 11 11 LEU HD21 H 1 0.928 . . 2 . . . . 11 LEU HD2# . 17274 1 114 . 1 1 11 11 LEU HD22 H 1 0.928 . . 2 . . . . 11 LEU HD2# . 17274 1 115 . 1 1 11 11 LEU HD23 H 1 0.928 . . 2 . . . . 11 LEU HD2# . 17274 1 116 . 1 1 11 11 LEU HG H 1 1.914 . . 1 . . . . 11 LEU HG . 17274 1 117 . 1 1 11 11 LEU C C 13 176.217 . . 1 . . . . 11 LEU C . 17274 1 118 . 1 1 11 11 LEU CA C 13 58.540 . . 1 . . . . 11 LEU CA . 17274 1 119 . 1 1 11 11 LEU CB C 13 41.042 . . 1 . . . . 11 LEU CB . 17274 1 120 . 1 1 11 11 LEU CD1 C 13 27.596 . . 2 . . . . 11 LEU CD1 . 17274 1 121 . 1 1 11 11 LEU CD2 C 13 24.712 . . 2 . . . . 11 LEU CD2 . 17274 1 122 . 1 1 11 11 LEU N N 15 123.651 . . 1 . . . . 11 LEU N . 17274 1 123 . 1 1 12 12 ILE H H 1 8.311 . . 1 . . . . 12 ILE HN . 17274 1 124 . 1 1 12 12 ILE HA H 1 3.755 . . 1 . . . . 12 ILE HA . 17274 1 125 . 1 1 12 12 ILE HB H 1 1.940 . . 1 . . . . 12 ILE HB . 17274 1 126 . 1 1 12 12 ILE HD11 H 1 0.554 . . 2 . . . . 12 ILE HD1# . 17274 1 127 . 1 1 12 12 ILE HD12 H 1 0.554 . . 2 . . . . 12 ILE HD1# . 17274 1 128 . 1 1 12 12 ILE HD13 H 1 0.554 . . 2 . . . . 12 ILE HD1# . 17274 1 129 . 1 1 12 12 ILE C C 13 179.368 . . 1 . . . . 12 ILE C . 17274 1 130 . 1 1 12 12 ILE CA C 13 66.074 . . 1 . . . . 12 ILE CA . 17274 1 131 . 1 1 12 12 ILE CB C 13 36.703 . . 1 . . . . 12 ILE CB . 17274 1 132 . 1 1 12 12 ILE CD1 C 13 13.363 . . 1 . . . . 12 ILE CD1 . 17274 1 133 . 1 1 12 12 ILE CG1 C 13 28.957 . . 1 . . . . 12 ILE CG1 . 17274 1 134 . 1 1 12 12 ILE CG2 C 13 15.492 . . 1 . . . . 12 ILE CG2 . 17274 1 135 . 1 1 12 12 ILE N N 15 124.386 . . 1 . . . . 12 ILE N . 17274 1 136 . 1 1 13 13 ILE H H 1 8.551 . . 1 . . . . 13 ILE HN . 17274 1 137 . 1 1 13 13 ILE HA H 1 3.795 . . 1 . . . . 13 ILE HA . 17274 1 138 . 1 1 13 13 ILE HB H 1 1.983 . . 1 . . . . 13 ILE HB . 17274 1 139 . 1 1 13 13 ILE HD11 H 1 0.805 . . 2 . . . . 13 ILE HD1# . 17274 1 140 . 1 1 13 13 ILE HD12 H 1 0.805 . . 2 . . . . 13 ILE HD1# . 17274 1 141 . 1 1 13 13 ILE HD13 H 1 0.805 . . 2 . . . . 13 ILE HD1# . 17274 1 142 . 1 1 13 13 ILE C C 13 179.701 . . 1 . . . . 13 ILE C . 17274 1 143 . 1 1 13 13 ILE CA C 13 64.449 . . 1 . . . . 13 ILE CA . 17274 1 144 . 1 1 13 13 ILE CB C 13 36.734 . . 1 . . . . 13 ILE CB . 17274 1 145 . 1 1 13 13 ILE CD1 C 13 12.482 . . 1 . . . . 13 ILE CD1 . 17274 1 146 . 1 1 13 13 ILE CG1 C 13 28.452 . . 1 . . . . 13 ILE CG1 . 17274 1 147 . 1 1 13 13 ILE CG2 C 13 16.532 . . 1 . . . . 13 ILE CG2 . 17274 1 148 . 1 1 13 13 ILE N N 15 122.710 . . 1 . . . . 13 ILE N . 17274 1 149 . 1 1 14 14 ASN H H 1 8.407 . . 1 . . . . 14 ASN HN . 17274 1 150 . 1 1 14 14 ASN HA H 1 4.608 . . 1 . . . . 14 ASN HA . 17274 1 151 . 1 1 14 14 ASN HB2 H 1 2.785 . . 2 . . . . 14 ASN HB1 . 17274 1 152 . 1 1 14 14 ASN HB3 H 1 3.000 . . 2 . . . . 14 ASN HB2 . 17274 1 153 . 1 1 14 14 ASN C C 13 178.143 . . 1 . . . . 14 ASN C . 17274 1 154 . 1 1 14 14 ASN CA C 13 56.444 . . 1 . . . . 14 ASN CA . 17274 1 155 . 1 1 14 14 ASN CB C 13 37.827 . . 1 . . . . 14 ASN CB . 17274 1 156 . 1 1 14 14 ASN N N 15 119.428 . . 1 . . . . 14 ASN N . 17274 1 157 . 1 1 15 15 SER H H 1 8.647 . . 1 . . . . 15 SER HN . 17274 1 158 . 1 1 15 15 SER C C 13 177.346 . . 1 . . . . 15 SER C . 17274 1 159 . 1 1 15 15 SER CA C 13 62.648 . . 1 . . . . 15 SER CA . 17274 1 160 . 1 1 15 15 SER CB C 13 62.786 . . 1 . . . . 15 SER CB . 17274 1 161 . 1 1 15 15 SER N N 15 116.754 . . 1 . . . . 15 SER N . 17274 1 162 . 1 1 16 16 GLY H H 1 8.374 . . 1 . . . . 16 GLY HN . 17274 1 163 . 1 1 16 16 GLY C C 13 176.804 . . 1 . . . . 16 GLY C . 17274 1 164 . 1 1 16 16 GLY CA C 13 46.937 . . 1 . . . . 16 GLY CA . 17274 1 165 . 1 1 16 16 GLY N N 15 112.458 . . 1 . . . . 16 GLY N . 17274 1 166 . 1 1 17 17 GLN H H 1 8.440 . . 1 . . . . 17 GLN HN . 17274 1 167 . 1 1 17 17 GLN HA H 1 4.290 . . 1 . . . . 17 GLN HA . 17274 1 168 . 1 1 17 17 GLN HB2 H 1 2.130 . . 2 . . . . 17 GLN HB1 . 17274 1 169 . 1 1 17 17 GLN HB3 H 1 2.300 . . 2 . . . . 17 GLN HB2 . 17274 1 170 . 1 1 17 17 GLN HG2 H 1 2.453 . . 2 . . . . 17 GLN HG1 . 17274 1 171 . 1 1 17 17 GLN HG3 H 1 2.510 . . 2 . . . . 17 GLN HG2 . 17274 1 172 . 1 1 17 17 GLN C C 13 178.519 . . 1 . . . . 17 GLN C . 17274 1 173 . 1 1 17 17 GLN CA C 13 58.073 . . 1 . . . . 17 GLN CA . 17274 1 174 . 1 1 17 17 GLN CB C 13 27.263 . . 1 . . . . 17 GLN CB . 17274 1 175 . 1 1 17 17 GLN CG C 13 33.665 . . 1 . . . . 17 GLN CG . 17274 1 176 . 1 1 17 17 GLN N N 15 123.751 . . 1 . . . . 17 GLN N . 17274 1 177 . 1 1 18 18 ALA H H 1 8.342 . . 1 . . . . 18 ALA HN . 17274 1 178 . 1 1 18 18 ALA HA H 1 4.210 . . 1 . . . . 18 ALA HA . 17274 1 179 . 1 1 18 18 ALA C C 13 181.243 . . 1 . . . . 18 ALA C . 17274 1 180 . 1 1 18 18 ALA CA C 13 54.997 . . 1 . . . . 18 ALA CA . 17274 1 181 . 1 1 18 18 ALA CB C 13 18.294 . . 1 . . . . 18 ALA CB . 17274 1 182 . 1 1 18 18 ALA N N 15 120.889 . . 1 . . . . 18 ALA N . 17274 1 183 . 1 1 19 19 ARG H H 1 7.850 . . 1 . . . . 19 ARG HN . 17274 1 184 . 1 1 19 19 ARG HA H 1 3.950 . . 1 . . . . 19 ARG HA . 17274 1 185 . 1 1 19 19 ARG HB2 H 1 2.060 . . 2 . . . . 19 ARG HB1 . 17274 1 186 . 1 1 19 19 ARG HB3 H 1 2.150 . . 2 . . . . 19 ARG HB2 . 17274 1 187 . 1 1 19 19 ARG HD2 H 1 3.216 . . 2 . . . . 19 ARG HD1 . 17274 1 188 . 1 1 19 19 ARG HD3 H 1 3.216 . . 2 . . . . 19 ARG HD2 . 17274 1 189 . 1 1 19 19 ARG HG2 H 1 1.655 . . 2 . . . . 19 ARG HG1 . 17274 1 190 . 1 1 19 19 ARG HG3 H 1 1.655 . . 2 . . . . 19 ARG HG2 . 17274 1 191 . 1 1 19 19 ARG C C 13 176.880 . . 1 . . . . 19 ARG C . 17274 1 192 . 1 1 19 19 ARG CA C 13 59.577 . . 1 . . . . 19 ARG CA . 17274 1 193 . 1 1 19 19 ARG CB C 13 29.783 . . 1 . . . . 19 ARG CB . 17274 1 194 . 1 1 19 19 ARG CD C 13 44.203 . . 1 . . . . 19 ARG CD . 17274 1 195 . 1 1 19 19 ARG CG C 13 27.322 . . 1 . . . . 19 ARG CG . 17274 1 196 . 1 1 19 19 ARG N N 15 119.885 . . 1 . . . . 19 ARG N . 17274 1 197 . 1 1 20 20 SER H H 1 8.577 . . 1 . . . . 20 SER HN . 17274 1 198 . 1 1 20 20 SER HA H 1 4.330 . . 1 . . . . 20 SER HA . 17274 1 199 . 1 1 20 20 SER HB2 H 1 4.050 . . 2 . . . . 20 SER HB1 . 17274 1 200 . 1 1 20 20 SER HB3 H 1 4.050 . . 2 . . . . 20 SER HB2 . 17274 1 201 . 1 1 20 20 SER C C 13 178.308 . . 1 . . . . 20 SER C . 17274 1 202 . 1 1 20 20 SER CA C 13 61.830 . . 1 . . . . 20 SER CA . 17274 1 203 . 1 1 20 20 SER CB C 13 61.695 . . 1 . . . . 20 SER CB . 17274 1 204 . 1 1 20 20 SER N N 15 115.557 . . 1 . . . . 20 SER N . 17274 1 205 . 1 1 21 21 LEU H H 1 8.671 . . 1 . . . . 21 LEU HN . 17274 1 206 . 1 1 21 21 LEU HA H 1 4.200 . . 1 . . . . 21 LEU HA . 17274 1 207 . 1 1 21 21 LEU HB2 H 1 1.800 . . 2 . . . . 21 LEU HB1 . 17274 1 208 . 1 1 21 21 LEU HB3 H 1 1.800 . . 2 . . . . 21 LEU HB2 . 17274 1 209 . 1 1 21 21 LEU HD11 H 1 0.821 . . 2 . . . . 21 LEU HD1# . 17274 1 210 . 1 1 21 21 LEU HD12 H 1 0.821 . . 2 . . . . 21 LEU HD1# . 17274 1 211 . 1 1 21 21 LEU HD13 H 1 0.821 . . 2 . . . . 21 LEU HD1# . 17274 1 212 . 1 1 21 21 LEU HD21 H 1 0.916 . . 2 . . . . 21 LEU HD2# . 17274 1 213 . 1 1 21 21 LEU HD22 H 1 0.916 . . 2 . . . . 21 LEU HD2# . 17274 1 214 . 1 1 21 21 LEU HD23 H 1 0.916 . . 2 . . . . 21 LEU HD2# . 17274 1 215 . 1 1 21 21 LEU HG H 1 1.690 . . 1 . . . . 21 LEU HG . 17274 1 216 . 1 1 21 21 LEU C C 13 177.973 . . 1 . . . . 21 LEU C . 17274 1 217 . 1 1 21 21 LEU CA C 13 57.335 . . 1 . . . . 21 LEU CA . 17274 1 218 . 1 1 21 21 LEU CB C 13 41.845 . . 1 . . . . 21 LEU CB . 17274 1 219 . 1 1 21 21 LEU CD1 C 13 25.190 . . 2 . . . . 21 LEU CD1 . 17274 1 220 . 1 1 21 21 LEU CD2 C 13 23.242 . . 2 . . . . 21 LEU CD2 . 17274 1 221 . 1 1 21 21 LEU N N 15 123.061 . . 1 . . . . 21 LEU N . 17274 1 222 . 1 1 22 22 ALA H H 1 7.451 . . 1 . . . . 22 ALA HN . 17274 1 223 . 1 1 22 22 ALA HA H 1 4.450 . . 1 . . . . 22 ALA HA . 17274 1 224 . 1 1 22 22 ALA C C 13 179.285 . . 1 . . . . 22 ALA C . 17274 1 225 . 1 1 22 22 ALA CA C 13 54.438 . . 1 . . . . 22 ALA CA . 17274 1 226 . 1 1 22 22 ALA CB C 13 16.549 . . 1 . . . . 22 ALA CB . 17274 1 227 . 1 1 22 22 ALA N N 15 121.107 . . 1 . . . . 22 ALA N . 17274 1 228 . 1 1 23 23 TYR H H 1 8.218 . . 1 . . . . 23 TYR HN . 17274 1 229 . 1 1 23 23 TYR HA H 1 4.255 . . 1 . . . . 23 TYR HA . 17274 1 230 . 1 1 23 23 TYR HB2 H 1 3.100 . . 2 . . . . 23 TYR HB1 . 17274 1 231 . 1 1 23 23 TYR HB3 H 1 3.020 . . 2 . . . . 23 TYR HB2 . 17274 1 232 . 1 1 23 23 TYR HD1 H 1 7.190 . . 3 . . . . 23 TYR HD1 . 17274 1 233 . 1 1 23 23 TYR HD2 H 1 7.190 . . 3 . . . . 23 TYR HD2 . 17274 1 234 . 1 1 23 23 TYR C C 13 179.456 . . 1 . . . . 23 TYR C . 17274 1 235 . 1 1 23 23 TYR CA C 13 62.045 . . 1 . . . . 23 TYR CA . 17274 1 236 . 1 1 23 23 TYR CB C 13 36.640 . . 1 . . . . 23 TYR CB . 17274 1 237 . 1 1 23 23 TYR CD1 C 13 132.619 . . 3 . . . . 23 TYR CD1 . 17274 1 238 . 1 1 23 23 TYR CD2 C 13 132.619 . . 3 . . . . 23 TYR CD2 . 17274 1 239 . 1 1 23 23 TYR CE1 C 13 119.604 . . 3 . . . . 23 TYR CE1 . 17274 1 240 . 1 1 23 23 TYR CE2 C 13 119.604 . . 3 . . . . 23 TYR CE2 . 17274 1 241 . 1 1 23 23 TYR N N 15 117.238 . . 1 . . . . 23 TYR N . 17274 1 242 . 1 1 24 24 ALA H H 1 8.398 . . 1 . . . . 24 ALA HN . 17274 1 243 . 1 1 24 24 ALA HA H 1 4.170 . . 1 . . . . 24 ALA HA . 17274 1 244 . 1 1 24 24 ALA C C 13 180.409 . . 1 . . . . 24 ALA C . 17274 1 245 . 1 1 24 24 ALA CA C 13 54.757 . . 1 . . . . 24 ALA CA . 17274 1 246 . 1 1 24 24 ALA CB C 13 17.372 . . 1 . . . . 24 ALA CB . 17274 1 247 . 1 1 24 24 ALA N N 15 124.328 . . 1 . . . . 24 ALA N . 17274 1 248 . 1 1 25 25 ALA H H 1 8.499 . . 1 . . . . 25 ALA HN . 17274 1 249 . 1 1 25 25 ALA HA H 1 4.025 . . 1 . . . . 25 ALA HA . 17274 1 250 . 1 1 25 25 ALA C C 13 179.467 . . 1 . . . . 25 ALA C . 17274 1 251 . 1 1 25 25 ALA CA C 13 54.594 . . 1 . . . . 25 ALA CA . 17274 1 252 . 1 1 25 25 ALA CB C 13 18.294 . . 1 . . . . 25 ALA CB . 17274 1 253 . 1 1 25 25 ALA N N 15 124.070 . . 1 . . . . 25 ALA N . 17274 1 254 . 1 1 26 26 LEU H H 1 7.874 . . 1 . . . . 26 LEU HN . 17274 1 255 . 1 1 26 26 LEU HA H 1 3.900 . . 1 . . . . 26 LEU HA . 17274 1 256 . 1 1 26 26 LEU HD11 H 1 0.904 . . 2 . . . . 26 LEU HD1# . 17274 1 257 . 1 1 26 26 LEU HD12 H 1 0.904 . . 2 . . . . 26 LEU HD1# . 17274 1 258 . 1 1 26 26 LEU HD13 H 1 0.904 . . 2 . . . . 26 LEU HD1# . 17274 1 259 . 1 1 26 26 LEU HD21 H 1 1.026 . . 2 . . . . 26 LEU HD2# . 17274 1 260 . 1 1 26 26 LEU HD22 H 1 1.026 . . 2 . . . . 26 LEU HD2# . 17274 1 261 . 1 1 26 26 LEU HD23 H 1 1.026 . . 2 . . . . 26 LEU HD2# . 17274 1 262 . 1 1 26 26 LEU HG H 1 1.480 . . 1 . . . . 26 LEU HG . 17274 1 263 . 1 1 26 26 LEU C C 13 177.747 . . 1 . . . . 26 LEU C . 17274 1 264 . 1 1 26 26 LEU CA C 13 57.197 . . 1 . . . . 26 LEU CA . 17274 1 265 . 1 1 26 26 LEU CB C 13 39.672 . . 1 . . . . 26 LEU CB . 17274 1 266 . 1 1 26 26 LEU CD1 C 13 23.534 . . 2 . . . . 26 LEU CD1 . 17274 1 267 . 1 1 26 26 LEU CD2 C 13 26.343 . . 2 . . . . 26 LEU CD2 . 17274 1 268 . 1 1 26 26 LEU CG C 13 27.442 . . 1 . . . . 26 LEU CG . 17274 1 269 . 1 1 26 26 LEU N N 15 119.115 . . 1 . . . . 26 LEU N . 17274 1 270 . 1 1 27 27 LYS H H 1 7.721 . . 1 . . . . 27 LYS HN . 17274 1 271 . 1 1 27 27 LYS HA H 1 3.752 . . 1 . . . . 27 LYS HA . 17274 1 272 . 1 1 27 27 LYS HB2 H 1 1.950 . . 2 . . . . 27 LYS HB1 . 17274 1 273 . 1 1 27 27 LYS HB3 H 1 1.950 . . 2 . . . . 27 LYS HB2 . 17274 1 274 . 1 1 27 27 LYS HD2 H 1 1.660 . . 2 . . . . 27 LYS HD1 . 17274 1 275 . 1 1 27 27 LYS HD3 H 1 1.660 . . 2 . . . . 27 LYS HD2 . 17274 1 276 . 1 1 27 27 LYS HG2 H 1 1.320 . . 2 . . . . 27 LYS HG1 . 17274 1 277 . 1 1 27 27 LYS HG3 H 1 1.540 . . 2 . . . . 27 LYS HG2 . 17274 1 278 . 1 1 27 27 LYS C C 13 179.308 . . 1 . . . . 27 LYS C . 17274 1 279 . 1 1 27 27 LYS CA C 13 59.752 . . 1 . . . . 27 LYS CA . 17274 1 280 . 1 1 27 27 LYS CB C 13 31.003 . . 1 . . . . 27 LYS CB . 17274 1 281 . 1 1 27 27 LYS CD C 13 29.292 . . 1 . . . . 27 LYS CD . 17274 1 282 . 1 1 27 27 LYS CG C 13 25.322 . . 1 . . . . 27 LYS CG . 17274 1 283 . 1 1 27 27 LYS N N 15 118.594 . . 1 . . . . 27 LYS N . 17274 1 284 . 1 1 28 28 GLN H H 1 7.599 . . 1 . . . . 28 GLN HN . 17274 1 285 . 1 1 28 28 GLN HG2 H 1 2.490 . . 2 . . . . 28 GLN HG1 . 17274 1 286 . 1 1 28 28 GLN HG3 H 1 2.490 . . 2 . . . . 28 GLN HG2 . 17274 1 287 . 1 1 28 28 GLN C C 13 178.593 . . 1 . . . . 28 GLN C . 17274 1 288 . 1 1 28 28 GLN CA C 13 57.736 . . 1 . . . . 28 GLN CA . 17274 1 289 . 1 1 28 28 GLN CB C 13 26.381 . . 1 . . . . 28 GLN CB . 17274 1 290 . 1 1 28 28 GLN CG C 13 33.620 . . 1 . . . . 28 GLN CG . 17274 1 291 . 1 1 28 28 GLN N N 15 116.601 . . 1 . . . . 28 GLN N . 17274 1 292 . 1 1 29 29 ALA H H 1 8.165 . . 1 . . . . 29 ALA HN . 17274 1 293 . 1 1 29 29 ALA HA H 1 2.938 . . 1 . . . . 29 ALA HA . 17274 1 294 . 1 1 29 29 ALA C C 13 180.056 . . 1 . . . . 29 ALA C . 17274 1 295 . 1 1 29 29 ALA CA C 13 54.245 . . 1 . . . . 29 ALA CA . 17274 1 296 . 1 1 29 29 ALA CB C 13 18.325 . . 1 . . . . 29 ALA CB . 17274 1 297 . 1 1 29 29 ALA N N 15 122.339 . . 1 . . . . 29 ALA N . 17274 1 298 . 1 1 30 30 LYS H H 1 8.055 . . 1 . . . . 30 LYS HN . 17274 1 299 . 1 1 30 30 LYS HA H 1 3.475 . . 1 . . . . 30 LYS HA . 17274 1 300 . 1 1 30 30 LYS HB2 H 1 1.700 . . 2 . . . . 30 LYS HB1 . 17274 1 301 . 1 1 30 30 LYS HB3 H 1 1.700 . . 2 . . . . 30 LYS HB2 . 17274 1 302 . 1 1 30 30 LYS HD2 H 1 1.570 . . 2 . . . . 30 LYS HD1 . 17274 1 303 . 1 1 30 30 LYS HD3 H 1 1.470 . . 2 . . . . 30 LYS HD2 . 17274 1 304 . 1 1 30 30 LYS HG2 H 1 1.295 . . 2 . . . . 30 LYS HG1 . 17274 1 305 . 1 1 30 30 LYS HG3 H 1 1.295 . . 2 . . . . 30 LYS HG2 . 17274 1 306 . 1 1 30 30 LYS C C 13 177.674 . . 1 . . . . 30 LYS C . 17274 1 307 . 1 1 30 30 LYS CA C 13 59.306 . . 1 . . . . 30 LYS CA . 17274 1 308 . 1 1 30 30 LYS CB C 13 30.725 . . 1 . . . . 30 LYS CB . 17274 1 309 . 1 1 30 30 LYS CD C 13 29.932 . . 1 . . . . 30 LYS CD . 17274 1 310 . 1 1 30 30 LYS CE C 13 41.252 . . 1 . . . . 30 LYS CE . 17274 1 311 . 1 1 30 30 LYS CG C 13 24.622 . . 1 . . . . 30 LYS CG . 17274 1 312 . 1 1 30 30 LYS N N 15 117.179 . . 1 . . . . 30 LYS N . 17274 1 313 . 1 1 31 31 GLN H H 1 7.122 . . 1 . . . . 31 GLN HN . 17274 1 314 . 1 1 31 31 GLN HA H 1 4.360 . . 1 . . . . 31 GLN HA . 17274 1 315 . 1 1 31 31 GLN HB2 H 1 2.160 . . 2 . . . . 31 GLN HB1 . 17274 1 316 . 1 1 31 31 GLN HB3 H 1 2.160 . . 2 . . . . 31 GLN HB2 . 17274 1 317 . 1 1 31 31 GLN HG2 H 1 2.430 . . 2 . . . . 31 GLN HG1 . 17274 1 318 . 1 1 31 31 GLN HG3 H 1 2.430 . . 2 . . . . 31 GLN HG2 . 17274 1 319 . 1 1 31 31 GLN C C 13 176.026 . . 1 . . . . 31 GLN C . 17274 1 320 . 1 1 31 31 GLN CA C 13 54.972 . . 1 . . . . 31 GLN CA . 17274 1 321 . 1 1 31 31 GLN CB C 13 28.044 . . 1 . . . . 31 GLN CB . 17274 1 322 . 1 1 31 31 GLN CG C 13 33.960 . . 1 . . . . 31 GLN CG . 17274 1 323 . 1 1 31 31 GLN N N 15 115.100 . . 1 . . . . 31 GLN N . 17274 1 324 . 1 1 32 32 GLY H H 1 7.506 . . 1 . . . . 32 GLY HN . 17274 1 325 . 1 1 32 32 GLY C C 13 173.061 . . 1 . . . . 32 GLY C . 17274 1 326 . 1 1 32 32 GLY CA C 13 44.543 . . 1 . . . . 32 GLY CA . 17274 1 327 . 1 1 32 32 GLY N N 15 107.281 . . 1 . . . . 32 GLY N . 17274 1 328 . 1 1 33 33 ASP H H 1 7.729 . . 1 . . . . 33 ASP HN . 17274 1 329 . 1 1 33 33 ASP HA H 1 4.987 . . 1 . . . . 33 ASP HA . 17274 1 330 . 1 1 33 33 ASP HB2 H 1 2.260 . . 2 . . . . 33 ASP HB1 . 17274 1 331 . 1 1 33 33 ASP HB3 H 1 2.260 . . 2 . . . . 33 ASP HB2 . 17274 1 332 . 1 1 33 33 ASP C C 13 175.810 . . 1 . . . . 33 ASP C . 17274 1 333 . 1 1 33 33 ASP CA C 13 51.035 . . 1 . . . . 33 ASP CA . 17274 1 334 . 1 1 33 33 ASP CB C 13 38.698 . . 1 . . . . 33 ASP CB . 17274 1 335 . 1 1 33 33 ASP N N 15 122.167 . . 1 . . . . 33 ASP N . 17274 1 336 . 1 1 34 34 PHE H H 1 7.714 . . 1 . . . . 34 PHE HN . 17274 1 337 . 1 1 34 34 PHE HA H 1 3.990 . . 1 . . . . 34 PHE HA . 17274 1 338 . 1 1 34 34 PHE HB2 H 1 3.190 . . 2 . . . . 34 PHE HB1 . 17274 1 339 . 1 1 34 34 PHE HB3 H 1 3.190 . . 2 . . . . 34 PHE HB2 . 17274 1 340 . 1 1 34 34 PHE HD1 H 1 7.276 . . 2 . . . . 34 PHE HD1 . 17274 1 341 . 1 1 34 34 PHE HD2 H 1 7.303 . . 2 . . . . 34 PHE HD2 . 17274 1 342 . 1 1 34 34 PHE C C 13 178.012 . . 1 . . . . 34 PHE C . 17274 1 343 . 1 1 34 34 PHE CA C 13 61.523 . . 1 . . . . 34 PHE CA . 17274 1 344 . 1 1 34 34 PHE CB C 13 37.827 . . 1 . . . . 34 PHE CB . 17274 1 345 . 1 1 34 34 PHE CD1 C 13 131.138 . . 2 . . . . 34 PHE CD1 . 17274 1 346 . 1 1 34 34 PHE CD2 C 13 131.138 . . 2 . . . . 34 PHE CD2 . 17274 1 347 . 1 1 34 34 PHE CE1 C 13 131.495 . . 2 . . . . 34 PHE CE1 . 17274 1 348 . 1 1 34 34 PHE CE2 C 13 131.495 . . 2 . . . . 34 PHE CE2 . 17274 1 349 . 1 1 34 34 PHE N N 15 120.724 . . 1 . . . . 34 PHE N . 17274 1 350 . 1 1 35 35 ALA H H 1 8.453 . . 1 . . . . 35 ALA HN . 17274 1 351 . 1 1 35 35 ALA HA H 1 4.265 . . 1 . . . . 35 ALA HA . 17274 1 352 . 1 1 35 35 ALA C C 13 180.938 . . 1 . . . . 35 ALA C . 17274 1 353 . 1 1 35 35 ALA CA C 13 54.777 . . 1 . . . . 35 ALA CA . 17274 1 354 . 1 1 35 35 ALA CB C 13 17.886 . . 1 . . . . 35 ALA CB . 17274 1 355 . 1 1 35 35 ALA N N 15 124.412 . . 1 . . . . 35 ALA N . 17274 1 356 . 1 1 36 36 ALA H H 1 8.047 . . 1 . . . . 36 ALA HN . 17274 1 357 . 1 1 36 36 ALA HA H 1 4.160 . . 1 . . . . 36 ALA HA . 17274 1 358 . 1 1 36 36 ALA C C 13 180.379 . . 1 . . . . 36 ALA C . 17274 1 359 . 1 1 36 36 ALA CA C 13 54.032 . . 1 . . . . 36 ALA CA . 17274 1 360 . 1 1 36 36 ALA CB C 13 17.438 . . 1 . . . . 36 ALA CB . 17274 1 361 . 1 1 36 36 ALA N N 15 122.973 . . 1 . . . . 36 ALA N . 17274 1 362 . 1 1 37 37 ALA H H 1 7.735 . . 1 . . . . 37 ALA HN . 17274 1 363 . 1 1 37 37 ALA HA H 1 4.010 . . 1 . . . . 37 ALA HA . 17274 1 364 . 1 1 37 37 ALA C C 13 179.224 . . 1 . . . . 37 ALA C . 17274 1 365 . 1 1 37 37 ALA CA C 13 54.921 . . 1 . . . . 37 ALA CA . 17274 1 366 . 1 1 37 37 ALA CB C 13 18.393 . . 1 . . . . 37 ALA CB . 17274 1 367 . 1 1 37 37 ALA N N 15 118.750 . . 1 . . . . 37 ALA N . 17274 1 368 . 1 1 38 38 LYS H H 1 8.041 . . 1 . . . . 38 LYS HN . 17274 1 369 . 1 1 38 38 LYS HA H 1 3.963 . . 1 . . . . 38 LYS HA . 17274 1 370 . 1 1 38 38 LYS HB2 H 1 2.020 . . 2 . . . . 38 LYS HB1 . 17274 1 371 . 1 1 38 38 LYS HB3 H 1 2.020 . . 2 . . . . 38 LYS HB2 . 17274 1 372 . 1 1 38 38 LYS HD2 H 1 1.725 . . 2 . . . . 38 LYS HD1 . 17274 1 373 . 1 1 38 38 LYS HD3 H 1 1.725 . . 2 . . . . 38 LYS HD2 . 17274 1 374 . 1 1 38 38 LYS HG2 H 1 1.510 . . 2 . . . . 38 LYS HG1 . 17274 1 375 . 1 1 38 38 LYS HG3 H 1 1.660 . . 2 . . . . 38 LYS HG2 . 17274 1 376 . 1 1 38 38 LYS C C 13 178.960 . . 1 . . . . 38 LYS C . 17274 1 377 . 1 1 38 38 LYS CA C 13 59.345 . . 1 . . . . 38 LYS CA . 17274 1 378 . 1 1 38 38 LYS CB C 13 31.305 . . 1 . . . . 38 LYS CB . 17274 1 379 . 1 1 38 38 LYS CD C 13 29.082 . . 1 . . . . 38 LYS CD . 17274 1 380 . 1 1 38 38 LYS CG C 13 25.632 . . 1 . . . . 38 LYS CG . 17274 1 381 . 1 1 38 38 LYS N N 15 117.968 . . 1 . . . . 38 LYS N . 17274 1 382 . 1 1 39 39 ALA H H 1 7.658 . . 1 . . . . 39 ALA HN . 17274 1 383 . 1 1 39 39 ALA HA H 1 4.270 . . 1 . . . . 39 ALA HA . 17274 1 384 . 1 1 39 39 ALA C C 13 181.347 . . 1 . . . . 39 ALA C . 17274 1 385 . 1 1 39 39 ALA CA C 13 54.766 . . 1 . . . . 39 ALA CA . 17274 1 386 . 1 1 39 39 ALA CB C 13 17.094 . . 1 . . . . 39 ALA CB . 17274 1 387 . 1 1 39 39 ALA N N 15 121.980 . . 1 . . . . 39 ALA N . 17274 1 388 . 1 1 40 40 MET H H 1 8.308 . . 1 . . . . 40 MET HN . 17274 1 389 . 1 1 40 40 MET HA H 1 4.175 . . 1 . . . . 40 MET HA . 17274 1 390 . 1 1 40 40 MET HB2 H 1 2.035 . . 2 . . . . 40 MET HB1 . 17274 1 391 . 1 1 40 40 MET HB3 H 1 2.035 . . 2 . . . . 40 MET HB2 . 17274 1 392 . 1 1 40 40 MET HG2 H 1 2.150 . . 2 . . . . 40 MET HG1 . 17274 1 393 . 1 1 40 40 MET HG3 H 1 2.150 . . 2 . . . . 40 MET HG2 . 17274 1 394 . 1 1 40 40 MET C C 13 178.799 . . 1 . . . . 40 MET C . 17274 1 395 . 1 1 40 40 MET CA C 13 58.809 . . 1 . . . . 40 MET CA . 17274 1 396 . 1 1 40 40 MET CB C 13 32.638 . . 1 . . . . 40 MET CB . 17274 1 397 . 1 1 40 40 MET CG C 13 32.362 . . 1 . . . . 40 MET CG . 17274 1 398 . 1 1 40 40 MET N N 15 118.613 . . 1 . . . . 40 MET N . 17274 1 399 . 1 1 41 41 MET H H 1 8.422 . . 1 . . . . 41 MET HN . 17274 1 400 . 1 1 41 41 MET HA H 1 4.485 . . 1 . . . . 41 MET HA . 17274 1 401 . 1 1 41 41 MET HB2 H 1 2.175 . . 2 . . . . 41 MET HB1 . 17274 1 402 . 1 1 41 41 MET HB3 H 1 2.175 . . 2 . . . . 41 MET HB2 . 17274 1 403 . 1 1 41 41 MET C C 13 180.001 . . 1 . . . . 41 MET C . 17274 1 404 . 1 1 41 41 MET CA C 13 56.084 . . 1 . . . . 41 MET CA . 17274 1 405 . 1 1 41 41 MET CB C 13 29.083 . . 1 . . . . 41 MET CB . 17274 1 406 . 1 1 41 41 MET N N 15 119.369 . . 1 . . . . 41 MET N . 17274 1 407 . 1 1 42 42 ASP H H 1 8.305 . . 1 . . . . 42 ASP HN . 17274 1 408 . 1 1 42 42 ASP HA H 1 4.565 . . 1 . . . . 42 ASP HA . 17274 1 409 . 1 1 42 42 ASP HB2 H 1 2.717 . . 2 . . . . 42 ASP HB1 . 17274 1 410 . 1 1 42 42 ASP HB3 H 1 2.938 . . 2 . . . . 42 ASP HB2 . 17274 1 411 . 1 1 42 42 ASP C C 13 178.858 . . 1 . . . . 42 ASP C . 17274 1 412 . 1 1 42 42 ASP CA C 13 57.361 . . 1 . . . . 42 ASP CA . 17274 1 413 . 1 1 42 42 ASP CB C 13 39.572 . . 1 . . . . 42 ASP CB . 17274 1 414 . 1 1 42 42 ASP N N 15 123.269 . . 1 . . . . 42 ASP N . 17274 1 415 . 1 1 43 43 GLN H H 1 7.703 . . 1 . . . . 43 GLN HN . 17274 1 416 . 1 1 43 43 GLN HA H 1 4.110 . . 1 . . . . 43 GLN HA . 17274 1 417 . 1 1 43 43 GLN HB2 H 1 2.125 . . 2 . . . . 43 GLN HB1 . 17274 1 418 . 1 1 43 43 GLN HB3 H 1 2.125 . . 2 . . . . 43 GLN HB2 . 17274 1 419 . 1 1 43 43 GLN HG2 H 1 2.420 . . 2 . . . . 43 GLN HG1 . 17274 1 420 . 1 1 43 43 GLN HG3 H 1 2.600 . . 2 . . . . 43 GLN HG2 . 17274 1 421 . 1 1 43 43 GLN C C 13 179.294 . . 1 . . . . 43 GLN C . 17274 1 422 . 1 1 43 43 GLN CA C 13 58.798 . . 1 . . . . 43 GLN CA . 17274 1 423 . 1 1 43 43 GLN CB C 13 27.855 . . 1 . . . . 43 GLN CB . 17274 1 424 . 1 1 43 43 GLN CG C 13 34.040 . . 1 . . . . 43 GLN CG . 17274 1 425 . 1 1 43 43 GLN N N 15 119.822 . . 1 . . . . 43 GLN N . 17274 1 426 . 1 1 44 44 SER H H 1 8.403 . . 1 . . . . 44 SER HN . 17274 1 427 . 1 1 44 44 SER C C 13 175.967 . . 1 . . . . 44 SER C . 17274 1 428 . 1 1 44 44 SER CA C 13 61.574 . . 1 . . . . 44 SER CA . 17274 1 429 . 1 1 44 44 SER CB C 13 62.260 . . 1 . . . . 44 SER CB . 17274 1 430 . 1 1 44 44 SER N N 15 115.940 . . 1 . . . . 44 SER N . 17274 1 431 . 1 1 45 45 ARG H H 1 8.258 . . 1 . . . . 45 ARG HN . 17274 1 432 . 1 1 45 45 ARG HA H 1 3.770 . . 1 . . . . 45 ARG HA . 17274 1 433 . 1 1 45 45 ARG HB2 H 1 1.893 . . 2 . . . . 45 ARG HB1 . 17274 1 434 . 1 1 45 45 ARG HB3 H 1 2.217 . . 2 . . . . 45 ARG HB2 . 17274 1 435 . 1 1 45 45 ARG HD2 H 1 3.178 . . 2 . . . . 45 ARG HD1 . 17274 1 436 . 1 1 45 45 ARG HD3 H 1 3.329 . . 2 . . . . 45 ARG HD2 . 17274 1 437 . 1 1 45 45 ARG HG2 H 1 1.540 . . 2 . . . . 45 ARG HG1 . 17274 1 438 . 1 1 45 45 ARG HG3 H 1 1.633 . . 2 . . . . 45 ARG HG2 . 17274 1 439 . 1 1 45 45 ARG C C 13 178.521 . . 1 . . . . 45 ARG C . 17274 1 440 . 1 1 45 45 ARG CA C 13 59.295 . . 1 . . . . 45 ARG CA . 17274 1 441 . 1 1 45 45 ARG CB C 13 29.375 . . 1 . . . . 45 ARG CB . 17274 1 442 . 1 1 45 45 ARG CD C 13 43.356 . . 1 . . . . 45 ARG CD . 17274 1 443 . 1 1 45 45 ARG CG C 13 27.342 . . 1 . . . . 45 ARG CG . 17274 1 444 . 1 1 45 45 ARG N N 15 119.356 . . 1 . . . . 45 ARG N . 17274 1 445 . 1 1 46 46 MET H H 1 8.018 . . 1 . . . . 46 MET HN . 17274 1 446 . 1 1 46 46 MET HA H 1 4.180 . . 1 . . . . 46 MET HA . 17274 1 447 . 1 1 46 46 MET HB2 H 1 2.640 . . 2 . . . . 46 MET HB1 . 17274 1 448 . 1 1 46 46 MET HB3 H 1 2.780 . . 2 . . . . 46 MET HB2 . 17274 1 449 . 1 1 46 46 MET HG2 H 1 2.218 . . 2 . . . . 46 MET HG1 . 17274 1 450 . 1 1 46 46 MET HG3 H 1 2.218 . . 2 . . . . 46 MET HG2 . 17274 1 451 . 1 1 46 46 MET C C 13 178.568 . . 1 . . . . 46 MET C . 17274 1 452 . 1 1 46 46 MET CA C 13 58.533 . . 1 . . . . 46 MET CA . 17274 1 453 . 1 1 46 46 MET CB C 13 31.437 . . 1 . . . . 46 MET CB . 17274 1 454 . 1 1 46 46 MET CG C 13 32.362 . . 1 . . . . 46 MET CG . 17274 1 455 . 1 1 46 46 MET N N 15 118.042 . . 1 . . . . 46 MET N . 17274 1 456 . 1 1 47 47 ALA H H 1 7.829 . . 1 . . . . 47 ALA HN . 17274 1 457 . 1 1 47 47 ALA HA H 1 4.330 . . 1 . . . . 47 ALA HA . 17274 1 458 . 1 1 47 47 ALA C C 13 180.132 . . 1 . . . . 47 ALA C . 17274 1 459 . 1 1 47 47 ALA CA C 13 54.697 . . 1 . . . . 47 ALA CA . 17274 1 460 . 1 1 47 47 ALA CB C 13 16.774 . . 1 . . . . 47 ALA CB . 17274 1 461 . 1 1 47 47 ALA N N 15 122.458 . . 1 . . . . 47 ALA N . 17274 1 462 . 1 1 48 48 LEU H H 1 8.086 . . 1 . . . . 48 LEU HN . 17274 1 463 . 1 1 48 48 LEU HB2 H 1 1.665 . . 2 . . . . 48 LEU HB1 . 17274 1 464 . 1 1 48 48 LEU HB3 H 1 1.665 . . 2 . . . . 48 LEU HB2 . 17274 1 465 . 1 1 48 48 LEU HD11 H 1 0.877 . . 2 . . . . 48 LEU HD1# . 17274 1 466 . 1 1 48 48 LEU HD12 H 1 0.877 . . 2 . . . . 48 LEU HD1# . 17274 1 467 . 1 1 48 48 LEU HD13 H 1 0.877 . . 2 . . . . 48 LEU HD1# . 17274 1 468 . 1 1 48 48 LEU HD21 H 1 0.940 . . 2 . . . . 48 LEU HD2# . 17274 1 469 . 1 1 48 48 LEU HD22 H 1 0.940 . . 2 . . . . 48 LEU HD2# . 17274 1 470 . 1 1 48 48 LEU HD23 H 1 0.940 . . 2 . . . . 48 LEU HD2# . 17274 1 471 . 1 1 48 48 LEU HG H 1 1.729 . . 1 . . . . 48 LEU HG . 17274 1 472 . 1 1 48 48 LEU C C 13 178.727 . . 1 . . . . 48 LEU C . 17274 1 473 . 1 1 48 48 LEU CA C 13 56.761 . . 1 . . . . 48 LEU CA . 17274 1 474 . 1 1 48 48 LEU CB C 13 40.363 . . 1 . . . . 48 LEU CB . 17274 1 475 . 1 1 48 48 LEU CD1 C 13 24.762 . . 2 . . . . 48 LEU CD1 . 17274 1 476 . 1 1 48 48 LEU CD2 C 13 25.220 . . 2 . . . . 48 LEU CD2 . 17274 1 477 . 1 1 48 48 LEU N N 15 118.471 . . 1 . . . . 48 LEU N . 17274 1 478 . 1 1 49 49 ASN H H 1 8.679 . . 1 . . . . 49 ASN HN . 17274 1 479 . 1 1 49 49 ASN HA H 1 4.580 . . 1 . . . . 49 ASN HA . 17274 1 480 . 1 1 49 49 ASN HB2 H 1 3.000 . . 2 . . . . 49 ASN HB1 . 17274 1 481 . 1 1 49 49 ASN HB3 H 1 3.000 . . 2 . . . . 49 ASN HB2 . 17274 1 482 . 1 1 49 49 ASN C C 13 178.024 . . 1 . . . . 49 ASN C . 17274 1 483 . 1 1 49 49 ASN CA C 13 55.653 . . 1 . . . . 49 ASN CA . 17274 1 484 . 1 1 49 49 ASN CB C 13 38.085 . . 1 . . . . 49 ASN CB . 17274 1 485 . 1 1 49 49 ASN N N 15 119.842 . . 1 . . . . 49 ASN N . 17274 1 486 . 1 1 50 50 GLU H H 1 8.004 . . 1 . . . . 50 GLU HN . 17274 1 487 . 1 1 50 50 GLU HB2 H 1 2.170 . . 2 . . . . 50 GLU HB1 . 17274 1 488 . 1 1 50 50 GLU HB3 H 1 2.170 . . 2 . . . . 50 GLU HB2 . 17274 1 489 . 1 1 50 50 GLU HG2 H 1 2.360 . . 2 . . . . 50 GLU HG1 . 17274 1 490 . 1 1 50 50 GLU HG3 H 1 2.360 . . 2 . . . . 50 GLU HG2 . 17274 1 491 . 1 1 50 50 GLU C C 13 179.193 . . 1 . . . . 50 GLU C . 17274 1 492 . 1 1 50 50 GLU CA C 13 58.986 . . 1 . . . . 50 GLU CA . 17274 1 493 . 1 1 50 50 GLU CB C 13 28.275 . . 1 . . . . 50 GLU CB . 17274 1 494 . 1 1 50 50 GLU CG C 13 35.880 . . 1 . . . . 50 GLU CG . 17274 1 495 . 1 1 50 50 GLU N N 15 120.121 . . 1 . . . . 50 GLU N . 17274 1 496 . 1 1 51 51 ALA H H 1 7.836 . . 1 . . . . 51 ALA HN . 17274 1 497 . 1 1 51 51 ALA HA H 1 4.170 . . 1 . . . . 51 ALA HA . 17274 1 498 . 1 1 51 51 ALA C C 13 178.858 . . 1 . . . . 51 ALA C . 17274 1 499 . 1 1 51 51 ALA CA C 13 54.625 . . 1 . . . . 51 ALA CA . 17274 1 500 . 1 1 51 51 ALA CB C 13 17.662 . . 1 . . . . 51 ALA CB . 17274 1 501 . 1 1 51 51 ALA N N 15 121.711 . . 1 . . . . 51 ALA N . 17274 1 502 . 1 1 52 52 HIS H H 1 8.613 . . 1 . . . . 52 HIS HN . 17274 1 503 . 1 1 52 52 HIS HA H 1 4.225 . . 1 . . . . 52 HIS HA . 17274 1 504 . 1 1 52 52 HIS HB2 H 1 3.300 . . 2 . . . . 52 HIS HB1 . 17274 1 505 . 1 1 52 52 HIS HB3 H 1 3.300 . . 2 . . . . 52 HIS HB2 . 17274 1 506 . 1 1 52 52 HIS C C 13 178.321 . . 1 . . . . 52 HIS C . 17274 1 507 . 1 1 52 52 HIS CA C 13 59.830 . . 1 . . . . 52 HIS CA . 17274 1 508 . 1 1 52 52 HIS CB C 13 29.394 . . 1 . . . . 52 HIS CB . 17274 1 509 . 1 1 52 52 HIS N N 15 117.458 . . 1 . . . . 52 HIS N . 17274 1 510 . 1 1 53 53 LEU H H 1 8.049 . . 1 . . . . 53 LEU HN . 17274 1 511 . 1 1 53 53 LEU HA H 1 4.140 . . 1 . . . . 53 LEU HA . 17274 1 512 . 1 1 53 53 LEU HB2 H 1 1.940 . . 2 . . . . 53 LEU HB1 . 17274 1 513 . 1 1 53 53 LEU HB3 H 1 1.940 . . 2 . . . . 53 LEU HB2 . 17274 1 514 . 1 1 53 53 LEU HD11 H 1 0.924 . . 2 . . . . 53 LEU HD1# . 17274 1 515 . 1 1 53 53 LEU HD12 H 1 0.924 . . 2 . . . . 53 LEU HD1# . 17274 1 516 . 1 1 53 53 LEU HD13 H 1 0.924 . . 2 . . . . 53 LEU HD1# . 17274 1 517 . 1 1 53 53 LEU HD21 H 1 0.924 . . 2 . . . . 53 LEU HD2# . 17274 1 518 . 1 1 53 53 LEU HD22 H 1 0.924 . . 2 . . . . 53 LEU HD2# . 17274 1 519 . 1 1 53 53 LEU HD23 H 1 0.924 . . 2 . . . . 53 LEU HD2# . 17274 1 520 . 1 1 53 53 LEU HG H 1 1.795 . . 1 . . . . 53 LEU HG . 17274 1 521 . 1 1 53 53 LEU C C 13 179.985 . . 1 . . . . 53 LEU C . 17274 1 522 . 1 1 53 53 LEU CA C 13 57.758 . . 1 . . . . 53 LEU CA . 17274 1 523 . 1 1 53 53 LEU CB C 13 40.725 . . 1 . . . . 53 LEU CB . 17274 1 524 . 1 1 53 53 LEU CD1 C 13 23.686 . . 2 . . . . 53 LEU CD1 . 17274 1 525 . 1 1 53 53 LEU CD2 C 13 24.881 . . 2 . . . . 53 LEU CD2 . 17274 1 526 . 1 1 53 53 LEU CG C 13 26.872 . . 1 . . . . 53 LEU CG . 17274 1 527 . 1 1 53 53 LEU N N 15 121.096 . . 1 . . . . 53 LEU N . 17274 1 528 . 1 1 54 54 VAL H H 1 7.623 . . 1 . . . . 54 VAL HN . 17274 1 529 . 1 1 54 54 VAL HA H 1 3.670 . . 1 . . . . 54 VAL HA . 17274 1 530 . 1 1 54 54 VAL HB H 1 2.243 . . 1 . . . . 54 VAL HB . 17274 1 531 . 1 1 54 54 VAL HG11 H 1 0.919 . . 2 . . . . 54 VAL HG1# . 17274 1 532 . 1 1 54 54 VAL HG12 H 1 0.919 . . 2 . . . . 54 VAL HG1# . 17274 1 533 . 1 1 54 54 VAL HG13 H 1 0.919 . . 2 . . . . 54 VAL HG1# . 17274 1 534 . 1 1 54 54 VAL HG21 H 1 1.088 . . 2 . . . . 54 VAL HG2# . 17274 1 535 . 1 1 54 54 VAL HG22 H 1 1.088 . . 2 . . . . 54 VAL HG2# . 17274 1 536 . 1 1 54 54 VAL HG23 H 1 1.088 . . 2 . . . . 54 VAL HG2# . 17274 1 537 . 1 1 54 54 VAL C C 13 177.866 . . 1 . . . . 54 VAL C . 17274 1 538 . 1 1 54 54 VAL CA C 13 65.859 . . 1 . . . . 54 VAL CA . 17274 1 539 . 1 1 54 54 VAL CB C 13 30.811 . . 1 . . . . 54 VAL CB . 17274 1 540 . 1 1 54 54 VAL CG1 C 13 22.580 . . 2 . . . . 54 VAL CG1 . 17274 1 541 . 1 1 54 54 VAL CG2 C 13 22.483 . . 2 . . . . 54 VAL CG2 . 17274 1 542 . 1 1 54 54 VAL N N 15 119.475 . . 1 . . . . 54 VAL N . 17274 1 543 . 1 1 55 55 GLN H H 1 8.099 . . 1 . . . . 55 GLN HN . 17274 1 544 . 1 1 55 55 GLN HA H 1 3.843 . . 1 . . . . 55 GLN HA . 17274 1 545 . 1 1 55 55 GLN HB2 H 1 2.070 . . 2 . . . . 55 GLN HB1 . 17274 1 546 . 1 1 55 55 GLN HB3 H 1 2.070 . . 2 . . . . 55 GLN HB2 . 17274 1 547 . 1 1 55 55 GLN HG2 H 1 2.320 . . 2 . . . . 55 GLN HG1 . 17274 1 548 . 1 1 55 55 GLN HG3 H 1 2.170 . . 2 . . . . 55 GLN HG2 . 17274 1 549 . 1 1 55 55 GLN C C 13 177.664 . . 1 . . . . 55 GLN C . 17274 1 550 . 1 1 55 55 GLN CA C 13 59.380 . . 1 . . . . 55 GLN CA . 17274 1 551 . 1 1 55 55 GLN CB C 13 27.748 . . 1 . . . . 55 GLN CB . 17274 1 552 . 1 1 55 55 GLN CG C 13 33.875 . . 1 . . . . 55 GLN CG . 17274 1 553 . 1 1 55 55 GLN N N 15 119.797 . . 1 . . . . 55 GLN N . 17274 1 554 . 1 1 56 56 THR H H 1 8.115 . . 1 . . . . 56 THR HN . 17274 1 555 . 1 1 56 56 THR HA H 1 3.890 . . 1 . . . . 56 THR HA . 17274 1 556 . 1 1 56 56 THR HB H 1 4.237 . . 1 . . . . 56 THR HB . 17274 1 557 . 1 1 56 56 THR C C 13 175.810 . . 1 . . . . 56 THR C . 17274 1 558 . 1 1 56 56 THR CA C 13 65.877 . . 1 . . . . 56 THR CA . 17274 1 559 . 1 1 56 56 THR CB C 13 68.327 . . 1 . . . . 56 THR CB . 17274 1 560 . 1 1 56 56 THR CG2 C 13 21.802 . . 1 . . . . 56 THR CG2 . 17274 1 561 . 1 1 56 56 THR N N 15 112.938 . . 1 . . . . 56 THR N . 17274 1 562 . 1 1 57 57 LYS H H 1 7.532 . . 1 . . . . 57 LYS HN . 17274 1 563 . 1 1 57 57 LYS HA H 1 4.157 . . 1 . . . . 57 LYS HA . 17274 1 564 . 1 1 57 57 LYS HB2 H 1 1.980 . . 2 . . . . 57 LYS HB1 . 17274 1 565 . 1 1 57 57 LYS HB3 H 1 1.980 . . 2 . . . . 57 LYS HB2 . 17274 1 566 . 1 1 57 57 LYS HD2 H 1 1.680 . . 2 . . . . 57 LYS HD1 . 17274 1 567 . 1 1 57 57 LYS HD3 H 1 1.680 . . 2 . . . . 57 LYS HD2 . 17274 1 568 . 1 1 57 57 LYS HG2 H 1 1.490 . . 2 . . . . 57 LYS HG1 . 17274 1 569 . 1 1 57 57 LYS HG3 H 1 1.490 . . 2 . . . . 57 LYS HG2 . 17274 1 570 . 1 1 57 57 LYS C C 13 178.898 . . 1 . . . . 57 LYS C . 17274 1 571 . 1 1 57 57 LYS CA C 13 58.090 . . 1 . . . . 57 LYS CA . 17274 1 572 . 1 1 57 57 LYS CB C 13 31.091 . . 1 . . . . 57 LYS CB . 17274 1 573 . 1 1 57 57 LYS CD C 13 29.062 . . 1 . . . . 57 LYS CD . 17274 1 574 . 1 1 57 57 LYS CE C 13 42.210 . . 1 . . . . 57 LYS CE . 17274 1 575 . 1 1 57 57 LYS CG C 13 25.072 . . 1 . . . . 57 LYS CG . 17274 1 576 . 1 1 57 57 LYS N N 15 120.782 . . 1 . . . . 57 LYS N . 17274 1 577 . 1 1 58 58 LEU H H 1 7.902 . . 1 . . . . 58 LEU HN . 17274 1 578 . 1 1 58 58 LEU HA H 1 4.173 . . 1 . . . . 58 LEU HA . 17274 1 579 . 1 1 58 58 LEU HB2 H 1 1.475 . . 2 . . . . 58 LEU HB1 . 17274 1 580 . 1 1 58 58 LEU HB3 H 1 1.475 . . 2 . . . . 58 LEU HB2 . 17274 1 581 . 1 1 58 58 LEU HD11 H 1 0.806 . . 2 . . . . 58 LEU HD1# . 17274 1 582 . 1 1 58 58 LEU HD12 H 1 0.806 . . 2 . . . . 58 LEU HD1# . 17274 1 583 . 1 1 58 58 LEU HD13 H 1 0.806 . . 2 . . . . 58 LEU HD1# . 17274 1 584 . 1 1 58 58 LEU HD21 H 1 0.777 . . 2 . . . . 58 LEU HD2# . 17274 1 585 . 1 1 58 58 LEU HD22 H 1 0.777 . . 2 . . . . 58 LEU HD2# . 17274 1 586 . 1 1 58 58 LEU HD23 H 1 0.777 . . 2 . . . . 58 LEU HD2# . 17274 1 587 . 1 1 58 58 LEU HG H 1 1.830 . . 1 . . . . 58 LEU HG . 17274 1 588 . 1 1 58 58 LEU C C 13 178.391 . . 1 . . . . 58 LEU C . 17274 1 589 . 1 1 58 58 LEU CA C 13 56.571 . . 1 . . . . 58 LEU CA . 17274 1 590 . 1 1 58 58 LEU CB C 13 41.351 . . 1 . . . . 58 LEU CB . 17274 1 591 . 1 1 58 58 LEU CD1 C 13 23.361 . . 2 . . . . 58 LEU CD1 . 17274 1 592 . 1 1 58 58 LEU CD2 C 13 23.366 . . 2 . . . . 58 LEU CD2 . 17274 1 593 . 1 1 58 58 LEU CG C 13 26.602 . . 1 . . . . 58 LEU CG . 17274 1 594 . 1 1 58 58 LEU N N 15 119.218 . . 1 . . . . 58 LEU N . 17274 1 595 . 1 1 59 59 ILE H H 1 7.775 . . 1 . . . . 59 ILE HN . 17274 1 596 . 1 1 59 59 ILE HA H 1 4.000 . . 1 . . . . 59 ILE HA . 17274 1 597 . 1 1 59 59 ILE HB H 1 1.986 . . 1 . . . . 59 ILE HB . 17274 1 598 . 1 1 59 59 ILE HD11 H 1 0.829 . . 2 . . . . 59 ILE HD1# . 17274 1 599 . 1 1 59 59 ILE HD12 H 1 0.829 . . 2 . . . . 59 ILE HD1# . 17274 1 600 . 1 1 59 59 ILE HD13 H 1 0.829 . . 2 . . . . 59 ILE HD1# . 17274 1 601 . 1 1 59 59 ILE C C 13 177.018 . . 1 . . . . 59 ILE C . 17274 1 602 . 1 1 59 59 ILE CA C 13 62.797 . . 1 . . . . 59 ILE CA . 17274 1 603 . 1 1 59 59 ILE CB C 13 37.761 . . 1 . . . . 59 ILE CB . 17274 1 604 . 1 1 59 59 ILE CD1 C 13 13.504 . . 1 . . . . 59 ILE CD1 . 17274 1 605 . 1 1 59 59 ILE CG1 C 13 28.372 . . 1 . . . . 59 ILE CG1 . 17274 1 606 . 1 1 59 59 ILE CG2 C 13 17.472 . . 1 . . . . 59 ILE CG2 . 17274 1 607 . 1 1 59 59 ILE N N 15 117.043 . . 1 . . . . 59 ILE N . 17274 1 608 . 1 1 60 60 GLU H H 1 8.009 . . 1 . . . . 60 GLU HN . 17274 1 609 . 1 1 60 60 GLU HA H 1 4.212 . . 1 . . . . 60 GLU HA . 17274 1 610 . 1 1 60 60 GLU HB2 H 1 2.070 . . 2 . . . . 60 GLU HB1 . 17274 1 611 . 1 1 60 60 GLU HB3 H 1 2.070 . . 2 . . . . 60 GLU HB2 . 17274 1 612 . 1 1 60 60 GLU HG2 H 1 2.275 . . 2 . . . . 60 GLU HG1 . 17274 1 613 . 1 1 60 60 GLU HG3 H 1 2.410 . . 2 . . . . 60 GLU HG2 . 17274 1 614 . 1 1 60 60 GLU C C 13 177.674 . . 1 . . . . 60 GLU C . 17274 1 615 . 1 1 60 60 GLU CA C 13 57.205 . . 1 . . . . 60 GLU CA . 17274 1 616 . 1 1 60 60 GLU CB C 13 29.263 . . 1 . . . . 60 GLU CB . 17274 1 617 . 1 1 60 60 GLU CG C 13 36.670 . . 1 . . . . 60 GLU CG . 17274 1 618 . 1 1 60 60 GLU N N 15 120.016 . . 1 . . . . 60 GLU N . 17274 1 619 . 1 1 61 61 GLY H H 1 7.872 . . 1 . . . . 61 GLY HN . 17274 1 620 . 1 1 61 61 GLY C C 13 173.924 . . 1 . . . . 61 GLY C . 17274 1 621 . 1 1 61 61 GLY CA C 13 45.212 . . 1 . . . . 61 GLY CA . 17274 1 622 . 1 1 61 61 GLY N N 15 107.074 . . 1 . . . . 61 GLY N . 17274 1 623 . 1 1 62 62 ASP H H 1 8.061 . . 1 . . . . 62 ASP HN . 17274 1 624 . 1 1 62 62 ASP HA H 1 4.652 . . 1 . . . . 62 ASP HA . 17274 1 625 . 1 1 62 62 ASP HB2 H 1 2.640 . . 2 . . . . 62 ASP HB1 . 17274 1 626 . 1 1 62 62 ASP HB3 H 1 2.735 . . 2 . . . . 62 ASP HB2 . 17274 1 627 . 1 1 62 62 ASP C C 13 179.962 . . 1 . . . . 62 ASP C . 17274 1 628 . 1 1 62 62 ASP CA C 13 54.102 . . 1 . . . . 62 ASP CA . 17274 1 629 . 1 1 62 62 ASP CB C 13 41.219 . . 1 . . . . 62 ASP CB . 17274 1 630 . 1 1 62 62 ASP N N 15 120.773 . . 1 . . . . 62 ASP N . 17274 1 631 . 1 1 63 63 ALA H H 1 8.307 . . 1 . . . . 63 ALA HN . 17274 1 632 . 1 1 63 63 ALA HA H 1 4.345 . . 1 . . . . 63 ALA HA . 17274 1 633 . 1 1 63 63 ALA C C 13 178.264 . . 1 . . . . 63 ALA C . 17274 1 634 . 1 1 63 63 ALA CA C 13 52.480 . . 1 . . . . 63 ALA CA . 17274 1 635 . 1 1 63 63 ALA CB C 13 18.393 . . 1 . . . . 63 ALA CB . 17274 1 636 . 1 1 63 63 ALA N N 15 124.154 . . 1 . . . . 63 ALA N . 17274 1 637 . 1 1 64 64 GLY H H 1 8.370 . . 1 . . . . 64 GLY HN . 17274 1 638 . 1 1 64 64 GLY C C 13 174.312 . . 1 . . . . 64 GLY C . 17274 1 639 . 1 1 64 64 GLY CA C 13 45.144 . . 1 . . . . 64 GLY CA . 17274 1 640 . 1 1 64 64 GLY N N 15 107.534 . . 1 . . . . 64 GLY N . 17274 1 641 . 1 1 65 65 GLU H H 1 8.333 . . 1 . . . . 65 GLU HN . 17274 1 642 . 1 1 65 65 GLU HA H 1 4.333 . . 1 . . . . 65 GLU HA . 17274 1 643 . 1 1 65 65 GLU HB2 H 1 1.993 . . 2 . . . . 65 GLU HB1 . 17274 1 644 . 1 1 65 65 GLU HB3 H 1 2.120 . . 2 . . . . 65 GLU HB2 . 17274 1 645 . 1 1 65 65 GLU HG2 H 1 2.280 . . 2 . . . . 65 GLU HG1 . 17274 1 646 . 1 1 65 65 GLU HG3 H 1 2.280 . . 2 . . . . 65 GLU HG2 . 17274 1 647 . 1 1 65 65 GLU C C 13 177.194 . . 1 . . . . 65 GLU C . 17274 1 648 . 1 1 65 65 GLU CA C 13 56.442 . . 1 . . . . 65 GLU CA . 17274 1 649 . 1 1 65 65 GLU CB C 13 29.559 . . 1 . . . . 65 GLU CB . 17274 1 650 . 1 1 65 65 GLU N N 15 120.426 . . 1 . . . . 65 GLU N . 17274 1 651 . 1 1 66 66 GLY H H 1 8.513 . . 1 . . . . 66 GLY HN . 17274 1 652 . 1 1 66 66 GLY C C 13 174.261 . . 1 . . . . 66 GLY C . 17274 1 653 . 1 1 66 66 GLY CA C 13 45.205 . . 1 . . . . 66 GLY CA . 17274 1 654 . 1 1 66 66 GLY N N 15 109.639 . . 1 . . . . 66 GLY N . 17274 1 655 . 1 1 67 67 LYS H H 1 8.132 . . 1 . . . . 67 LYS HN . 17274 1 656 . 1 1 67 67 LYS HA H 1 4.315 . . 1 . . . . 67 LYS HA . 17274 1 657 . 1 1 67 67 LYS HB2 H 1 1.770 . . 2 . . . . 67 LYS HB1 . 17274 1 658 . 1 1 67 67 LYS HB3 H 1 1.770 . . 2 . . . . 67 LYS HB2 . 17274 1 659 . 1 1 67 67 LYS HD2 H 1 1.673 . . 2 . . . . 67 LYS HD1 . 17274 1 660 . 1 1 67 67 LYS HD3 H 1 1.673 . . 2 . . . . 67 LYS HD2 . 17274 1 661 . 1 1 67 67 LYS HG2 H 1 1.390 . . 2 . . . . 67 LYS HG1 . 17274 1 662 . 1 1 67 67 LYS HG3 H 1 1.430 . . 2 . . . . 67 LYS HG2 . 17274 1 663 . 1 1 67 67 LYS C C 13 176.633 . . 1 . . . . 67 LYS C . 17274 1 664 . 1 1 67 67 LYS CA C 13 56.286 . . 1 . . . . 67 LYS CA . 17274 1 665 . 1 1 67 67 LYS CB C 13 32.194 . . 1 . . . . 67 LYS CB . 17274 1 666 . 1 1 67 67 LYS CD C 13 29.037 . . 1 . . . . 67 LYS CD . 17274 1 667 . 1 1 67 67 LYS CE C 13 42.200 . . 1 . . . . 67 LYS CE . 17274 1 668 . 1 1 67 67 LYS CG C 13 24.932 . . 1 . . . . 67 LYS CG . 17274 1 669 . 1 1 67 67 LYS N N 15 120.276 . . 1 . . . . 67 LYS N . 17274 1 670 . 1 1 68 68 MET H H 1 8.427 . . 1 . . . . 68 MET HN . 17274 1 671 . 1 1 68 68 MET HA H 1 4.407 . . 1 . . . . 68 MET HA . 17274 1 672 . 1 1 68 68 MET HB2 H 1 2.030 . . 2 . . . . 68 MET HB1 . 17274 1 673 . 1 1 68 68 MET HB3 H 1 2.030 . . 2 . . . . 68 MET HB2 . 17274 1 674 . 1 1 68 68 MET HG2 H 1 2.483 . . 2 . . . . 68 MET HG1 . 17274 1 675 . 1 1 68 68 MET HG3 H 1 2.540 . . 2 . . . . 68 MET HG2 . 17274 1 676 . 1 1 68 68 MET C C 13 175.546 . . 1 . . . . 68 MET C . 17274 1 677 . 1 1 68 68 MET CA C 13 55.851 . . 1 . . . . 68 MET CA . 17274 1 678 . 1 1 68 68 MET CB C 13 33.164 . . 1 . . . . 68 MET CB . 17274 1 679 . 1 1 68 68 MET CG C 13 32.212 . . 1 . . . . 68 MET CG . 17274 1 680 . 1 1 68 68 MET N N 15 119.453 . . 1 . . . . 68 MET N . 17274 1 681 . 1 1 69 69 LYS H H 1 8.274 . . 1 . . . . 69 LYS HN . 17274 1 682 . 1 1 69 69 LYS HA H 1 4.355 . . 1 . . . . 69 LYS HA . 17274 1 683 . 1 1 69 69 LYS HB2 H 1 1.810 . . 2 . . . . 69 LYS HB1 . 17274 1 684 . 1 1 69 69 LYS HB3 H 1 1.810 . . 2 . . . . 69 LYS HB2 . 17274 1 685 . 1 1 69 69 LYS HD2 H 1 1.640 . . 2 . . . . 69 LYS HD1 . 17274 1 686 . 1 1 69 69 LYS HD3 H 1 1.640 . . 2 . . . . 69 LYS HD2 . 17274 1 687 . 1 1 69 69 LYS HG2 H 1 1.333 . . 2 . . . . 69 LYS HG1 . 17274 1 688 . 1 1 69 69 LYS HG3 H 1 1.333 . . 2 . . . . 69 LYS HG2 . 17274 1 689 . 1 1 69 69 LYS C C 13 175.780 . . 1 . . . . 69 LYS C . 17274 1 690 . 1 1 69 69 LYS CA C 13 56.273 . . 1 . . . . 69 LYS CA . 17274 1 691 . 1 1 69 69 LYS CB C 13 32.628 . . 1 . . . . 69 LYS CB . 17274 1 692 . 1 1 69 69 LYS CD C 13 29.119 . . 1 . . . . 69 LYS CD . 17274 1 693 . 1 1 69 69 LYS CE C 13 42.030 . . 1 . . . . 69 LYS CE . 17274 1 694 . 1 1 69 69 LYS CG C 13 24.962 . . 1 . . . . 69 LYS CG . 17274 1 695 . 1 1 69 69 LYS N N 15 121.534 . . 1 . . . . 69 LYS N . 17274 1 696 . 1 1 70 70 VAL H H 1 7.951 . . 1 . . . . 70 VAL HN . 17274 1 697 . 1 1 70 70 VAL HA H 1 4.045 . . 1 . . . . 70 VAL HA . 17274 1 698 . 1 1 70 70 VAL HB H 1 1.850 . . 1 . . . . 70 VAL HB . 17274 1 699 . 1 1 70 70 VAL HG11 H 1 0.911 . . 2 . . . . 70 VAL HG1# . 17274 1 700 . 1 1 70 70 VAL HG12 H 1 0.911 . . 2 . . . . 70 VAL HG1# . 17274 1 701 . 1 1 70 70 VAL HG13 H 1 0.911 . . 2 . . . . 70 VAL HG1# . 17274 1 702 . 1 1 70 70 VAL HG21 H 1 0.961 . . 2 . . . . 70 VAL HG2# . 17274 1 703 . 1 1 70 70 VAL HG22 H 1 0.961 . . 2 . . . . 70 VAL HG2# . 17274 1 704 . 1 1 70 70 VAL HG23 H 1 0.961 . . 2 . . . . 70 VAL HG2# . 17274 1 705 . 1 1 70 70 VAL C C 13 174.318 . . 1 . . . . 70 VAL C . 17274 1 706 . 1 1 70 70 VAL CA C 13 62.297 . . 1 . . . . 70 VAL CA . 17274 1 707 . 1 1 70 70 VAL CB C 13 32.046 . . 1 . . . . 70 VAL CB . 17274 1 708 . 1 1 70 70 VAL CG1 C 13 21.283 . . 2 . . . . 70 VAL CG1 . 17274 1 709 . 1 1 70 70 VAL CG2 C 13 21.628 . . 2 . . . . 70 VAL CG2 . 17274 1 710 . 1 1 70 70 VAL N N 15 118.383 . . 1 . . . . 70 VAL N . 17274 1 711 . 1 1 71 71 SER H H 1 7.397 . . 1 . . . . 71 SER HN . 17274 1 712 . 1 1 71 71 SER C C 13 174.410 . . 1 . . . . 71 SER C . 17274 1 713 . 1 1 71 71 SER CA C 13 57.520 . . 1 . . . . 71 SER CA . 17274 1 714 . 1 1 71 71 SER CB C 13 66.160 . . 1 . . . . 71 SER CB . 17274 1 715 . 1 1 71 71 SER N N 15 116.614 . . 1 . . . . 71 SER N . 17274 1 716 . 1 1 72 72 LEU H H 1 8.655 . . 1 . . . . 72 LEU HN . 17274 1 717 . 1 1 72 72 LEU HA H 1 4.030 . . 1 . . . . 72 LEU HA . 17274 1 718 . 1 1 72 72 LEU HB2 H 1 1.740 . . 2 . . . . 72 LEU HB1 . 17274 1 719 . 1 1 72 72 LEU HB3 H 1 1.740 . . 2 . . . . 72 LEU HB2 . 17274 1 720 . 1 1 72 72 LEU HD11 H 1 0.888 . . 2 . . . . 72 LEU HD1# . 17274 1 721 . 1 1 72 72 LEU HD12 H 1 0.888 . . 2 . . . . 72 LEU HD1# . 17274 1 722 . 1 1 72 72 LEU HD13 H 1 0.888 . . 2 . . . . 72 LEU HD1# . 17274 1 723 . 1 1 72 72 LEU HD21 H 1 0.940 . . 2 . . . . 72 LEU HD2# . 17274 1 724 . 1 1 72 72 LEU HD22 H 1 0.940 . . 2 . . . . 72 LEU HD2# . 17274 1 725 . 1 1 72 72 LEU HD23 H 1 0.940 . . 2 . . . . 72 LEU HD2# . 17274 1 726 . 1 1 72 72 LEU HG H 1 1.660 . . 1 . . . . 72 LEU HG . 17274 1 727 . 1 1 72 72 LEU C C 13 178.178 . . 1 . . . . 72 LEU C . 17274 1 728 . 1 1 72 72 LEU CA C 13 58.259 . . 1 . . . . 72 LEU CA . 17274 1 729 . 1 1 72 72 LEU CB C 13 41.636 . . 1 . . . . 72 LEU CB . 17274 1 730 . 1 1 72 72 LEU CD1 C 13 24.807 . . 2 . . . . 72 LEU CD1 . 17274 1 731 . 1 1 72 72 LEU CD2 C 13 25.074 . . 2 . . . . 72 LEU CD2 . 17274 1 732 . 1 1 72 72 LEU CG C 13 27.192 . . 1 . . . . 72 LEU CG . 17274 1 733 . 1 1 72 72 LEU N N 15 124.509 . . 1 . . . . 72 LEU N . 17274 1 734 . 1 1 73 73 VAL H H 1 7.959 . . 1 . . . . 73 VAL HN . 17274 1 735 . 1 1 73 73 VAL HA H 1 3.885 . . 1 . . . . 73 VAL HA . 17274 1 736 . 1 1 73 73 VAL HB H 1 2.123 . . 1 . . . . 73 VAL HB . 17274 1 737 . 1 1 73 73 VAL HG11 H 1 1.013 . . 2 . . . . 73 VAL HG1# . 17274 1 738 . 1 1 73 73 VAL HG12 H 1 1.013 . . 2 . . . . 73 VAL HG1# . 17274 1 739 . 1 1 73 73 VAL HG13 H 1 1.013 . . 2 . . . . 73 VAL HG1# . 17274 1 740 . 1 1 73 73 VAL HG21 H 1 1.107 . . 2 . . . . 73 VAL HG2# . 17274 1 741 . 1 1 73 73 VAL HG22 H 1 1.107 . . 2 . . . . 73 VAL HG2# . 17274 1 742 . 1 1 73 73 VAL HG23 H 1 1.107 . . 2 . . . . 73 VAL HG2# . 17274 1 743 . 1 1 73 73 VAL C C 13 177.524 . . 1 . . . . 73 VAL C . 17274 1 744 . 1 1 73 73 VAL CA C 13 65.312 . . 1 . . . . 73 VAL CA . 17274 1 745 . 1 1 73 73 VAL CB C 13 31.041 . . 1 . . . . 73 VAL CB . 17274 1 746 . 1 1 73 73 VAL CG1 C 13 21.905 . . 2 . . . . 73 VAL CG1 . 17274 1 747 . 1 1 73 73 VAL CG2 C 13 22.313 . . 2 . . . . 73 VAL CG2 . 17274 1 748 . 1 1 73 73 VAL N N 15 116.266 . . 1 . . . . 73 VAL N . 17274 1 749 . 1 1 74 74 LEU H H 1 7.701 . . 1 . . . . 74 LEU HN . 17274 1 750 . 1 1 74 74 LEU HA H 1 4.220 . . 1 . . . . 74 LEU HA . 17274 1 751 . 1 1 74 74 LEU HB2 H 1 1.660 . . 2 . . . . 74 LEU HB1 . 17274 1 752 . 1 1 74 74 LEU HB3 H 1 1.660 . . 2 . . . . 74 LEU HB2 . 17274 1 753 . 1 1 74 74 LEU HD11 H 1 0.869 . . 2 . . . . 74 LEU HD1# . 17274 1 754 . 1 1 74 74 LEU HD12 H 1 0.869 . . 2 . . . . 74 LEU HD1# . 17274 1 755 . 1 1 74 74 LEU HD13 H 1 0.869 . . 2 . . . . 74 LEU HD1# . 17274 1 756 . 1 1 74 74 LEU HD21 H 1 0.922 . . 2 . . . . 74 LEU HD2# . 17274 1 757 . 1 1 74 74 LEU HD22 H 1 0.922 . . 2 . . . . 74 LEU HD2# . 17274 1 758 . 1 1 74 74 LEU HD23 H 1 0.922 . . 2 . . . . 74 LEU HD2# . 17274 1 759 . 1 1 74 74 LEU HG H 1 1.660 . . 1 . . . . 74 LEU HG . 17274 1 760 . 1 1 74 74 LEU C C 13 179.351 . . 1 . . . . 74 LEU C . 17274 1 761 . 1 1 74 74 LEU CA C 13 57.208 . . 1 . . . . 74 LEU CA . 17274 1 762 . 1 1 74 74 LEU CB C 13 41.911 . . 1 . . . . 74 LEU CB . 17274 1 763 . 1 1 74 74 LEU CD1 C 13 23.960 . . 2 . . . . 74 LEU CD1 . 17274 1 764 . 1 1 74 74 LEU CD2 C 13 25.163 . . 2 . . . . 74 LEU CD2 . 17274 1 765 . 1 1 74 74 LEU CG C 13 27.262 . . 1 . . . . 74 LEU CG . 17274 1 766 . 1 1 74 74 LEU N N 15 119.454 . . 1 . . . . 74 LEU N . 17274 1 767 . 1 1 75 75 VAL H H 1 7.980 . . 1 . . . . 75 VAL HN . 17274 1 768 . 1 1 75 75 VAL HA H 1 3.770 . . 1 . . . . 75 VAL HA . 17274 1 769 . 1 1 75 75 VAL HB H 1 2.140 . . 1 . . . . 75 VAL HB . 17274 1 770 . 1 1 75 75 VAL HG11 H 1 0.908 . . 2 . . . . 75 VAL HG1# . 17274 1 771 . 1 1 75 75 VAL HG12 H 1 0.908 . . 2 . . . . 75 VAL HG1# . 17274 1 772 . 1 1 75 75 VAL HG13 H 1 0.908 . . 2 . . . . 75 VAL HG1# . 17274 1 773 . 1 1 75 75 VAL HG21 H 1 1.075 . . 2 . . . . 75 VAL HG2# . 17274 1 774 . 1 1 75 75 VAL HG22 H 1 1.075 . . 2 . . . . 75 VAL HG2# . 17274 1 775 . 1 1 75 75 VAL HG23 H 1 1.075 . . 2 . . . . 75 VAL HG2# . 17274 1 776 . 1 1 75 75 VAL C C 13 176.915 . . 1 . . . . 75 VAL C . 17274 1 777 . 1 1 75 75 VAL CA C 13 59.380 . . 1 . . . . 75 VAL CA . 17274 1 778 . 1 1 75 75 VAL CB C 13 31.488 . . 1 . . . . 75 VAL CB . 17274 1 779 . 1 1 75 75 VAL CG1 C 13 21.524 . . 2 . . . . 75 VAL CG1 . 17274 1 780 . 1 1 75 75 VAL CG2 C 13 23.333 . . 2 . . . . 75 VAL CG2 . 17274 1 781 . 1 1 75 75 VAL N N 15 119.505 . . 1 . . . . 75 VAL N . 17274 1 782 . 1 1 77 77 ALA H H 1 8.276 . . 1 . . . . 77 ALA HN . 17274 1 783 . 1 1 77 77 ALA HA H 1 3.885 . . 1 . . . . 77 ALA HA . 17274 1 784 . 1 1 77 77 ALA C C 13 179.500 . . 1 . . . . 77 ALA C . 17274 1 785 . 1 1 77 77 ALA CA C 13 54.942 . . 1 . . . . 77 ALA CA . 17274 1 786 . 1 1 77 77 ALA CB C 13 17.619 . . 1 . . . . 77 ALA CB . 17274 1 787 . 1 1 77 77 ALA N N 15 119.560 . . 1 . . . . 77 ALA N . 17274 1 788 . 1 1 78 78 GLN H H 1 8.284 . . 1 . . . . 78 GLN HN . 17274 1 789 . 1 1 78 78 GLN HA H 1 4.050 . . 1 . . . . 78 GLN HA . 17274 1 790 . 1 1 78 78 GLN HB2 H 1 2.120 . . 2 . . . . 78 GLN HB1 . 17274 1 791 . 1 1 78 78 GLN HB3 H 1 2.120 . . 2 . . . . 78 GLN HB2 . 17274 1 792 . 1 1 78 78 GLN HG2 H 1 2.420 . . 2 . . . . 78 GLN HG1 . 17274 1 793 . 1 1 78 78 GLN HG3 H 1 2.610 . . 2 . . . . 78 GLN HG2 . 17274 1 794 . 1 1 78 78 GLN C C 13 177.993 . . 1 . . . . 78 GLN C . 17274 1 795 . 1 1 78 78 GLN CA C 13 58.746 . . 1 . . . . 78 GLN CA . 17274 1 796 . 1 1 78 78 GLN CB C 13 29.032 . . 1 . . . . 78 GLN CB . 17274 1 797 . 1 1 78 78 GLN CG C 13 34.653 . . 1 . . . . 78 GLN CG . 17274 1 798 . 1 1 78 78 GLN N N 15 116.922 . . 1 . . . . 78 GLN N . 17274 1 799 . 1 1 79 79 LEU H H 1 8.419 . . 1 . . . . 79 LEU HN . 17274 1 800 . 1 1 79 79 LEU HA H 1 4.020 . . 1 . . . . 79 LEU HA . 17274 1 801 . 1 1 79 79 LEU HB2 H 1 1.530 . . 2 . . . . 79 LEU HB1 . 17274 1 802 . 1 1 79 79 LEU HB3 H 1 1.530 . . 2 . . . . 79 LEU HB2 . 17274 1 803 . 1 1 79 79 LEU HD11 H 1 0.816 . . 2 . . . . 79 LEU HD1# . 17274 1 804 . 1 1 79 79 LEU HD12 H 1 0.816 . . 2 . . . . 79 LEU HD1# . 17274 1 805 . 1 1 79 79 LEU HD13 H 1 0.816 . . 2 . . . . 79 LEU HD1# . 17274 1 806 . 1 1 79 79 LEU HD21 H 1 0.759 . . 2 . . . . 79 LEU HD2# . 17274 1 807 . 1 1 79 79 LEU HD22 H 1 0.759 . . 2 . . . . 79 LEU HD2# . 17274 1 808 . 1 1 79 79 LEU HD23 H 1 0.759 . . 2 . . . . 79 LEU HD2# . 17274 1 809 . 1 1 79 79 LEU HG H 1 1.327 . . 1 . . . . 79 LEU HG . 17274 1 810 . 1 1 79 79 LEU C C 13 179.360 . . 1 . . . . 79 LEU C . 17274 1 811 . 1 1 79 79 LEU CA C 13 58.366 . . 1 . . . . 79 LEU CA . 17274 1 812 . 1 1 79 79 LEU CB C 13 40.264 . . 1 . . . . 79 LEU CB . 17274 1 813 . 1 1 79 79 LEU CD1 C 13 24.239 . . 2 . . . . 79 LEU CD1 . 17274 1 814 . 1 1 79 79 LEU CD2 C 13 26.299 . . 2 . . . . 79 LEU CD2 . 17274 1 815 . 1 1 79 79 LEU CG C 13 27.122 . . 1 . . . . 79 LEU CG . 17274 1 816 . 1 1 79 79 LEU N N 15 120.615 . . 1 . . . . 79 LEU N . 17274 1 817 . 1 1 80 80 HIS H H 1 7.537 . . 1 . . . . 80 HIS HN . 17274 1 818 . 1 1 80 80 HIS HA H 1 3.755 . . 1 . . . . 80 HIS HA . 17274 1 819 . 1 1 80 80 HIS C C 13 177.428 . . 1 . . . . 80 HIS C . 17274 1 820 . 1 1 80 80 HIS CA C 13 60.881 . . 1 . . . . 80 HIS CA . 17274 1 821 . 1 1 80 80 HIS CB C 13 30.317 . . 1 . . . . 80 HIS CB . 17274 1 822 . 1 1 80 80 HIS N N 15 119.658 . . 1 . . . . 80 HIS N . 17274 1 823 . 1 1 81 81 LEU H H 1 8.642 . . 1 . . . . 81 LEU HN . 17274 1 824 . 1 1 81 81 LEU HA H 1 4.083 . . 1 . . . . 81 LEU HA . 17274 1 825 . 1 1 81 81 LEU HB2 H 1 1.650 . . 2 . . . . 81 LEU HB1 . 17274 1 826 . 1 1 81 81 LEU HB3 H 1 1.650 . . 2 . . . . 81 LEU HB2 . 17274 1 827 . 1 1 81 81 LEU HD11 H 1 0.705 . . 2 . . . . 81 LEU HD1# . 17274 1 828 . 1 1 81 81 LEU HD12 H 1 0.705 . . 2 . . . . 81 LEU HD1# . 17274 1 829 . 1 1 81 81 LEU HD13 H 1 0.705 . . 2 . . . . 81 LEU HD1# . 17274 1 830 . 1 1 81 81 LEU HD21 H 1 0.797 . . 2 . . . . 81 LEU HD2# . 17274 1 831 . 1 1 81 81 LEU HD22 H 1 0.797 . . 2 . . . . 81 LEU HD2# . 17274 1 832 . 1 1 81 81 LEU HD23 H 1 0.797 . . 2 . . . . 81 LEU HD2# . 17274 1 833 . 1 1 81 81 LEU HG H 1 1.650 . . 1 . . . . 81 LEU HG . 17274 1 834 . 1 1 81 81 LEU C C 13 179.222 . . 1 . . . . 81 LEU C . 17274 1 835 . 1 1 81 81 LEU CA C 13 58.205 . . 1 . . . . 81 LEU CA . 17274 1 836 . 1 1 81 81 LEU CB C 13 41.021 . . 1 . . . . 81 LEU CB . 17274 1 837 . 1 1 81 81 LEU CD1 C 13 24.442 . . 2 . . . . 81 LEU CD1 . 17274 1 838 . 1 1 81 81 LEU CD2 C 13 25.101 . . 2 . . . . 81 LEU CD2 . 17274 1 839 . 1 1 81 81 LEU CG C 13 27.372 . . 1 . . . . 81 LEU CG . 17274 1 840 . 1 1 81 81 LEU N N 15 121.240 . . 1 . . . . 81 LEU N . 17274 1 841 . 1 1 82 82 MET H H 1 9.460 . . 1 . . . . 82 MET HN . 17274 1 842 . 1 1 82 82 MET HA H 1 3.920 . . 1 . . . . 82 MET HA . 17274 1 843 . 1 1 82 82 MET HB2 H 1 2.230 . . 2 . . . . 82 MET HB1 . 17274 1 844 . 1 1 82 82 MET HB3 H 1 2.230 . . 2 . . . . 82 MET HB2 . 17274 1 845 . 1 1 82 82 MET C C 13 180.973 . . 1 . . . . 82 MET C . 17274 1 846 . 1 1 82 82 MET CA C 13 59.587 . . 1 . . . . 82 MET CA . 17274 1 847 . 1 1 82 82 MET CB C 13 32.556 . . 1 . . . . 82 MET CB . 17274 1 848 . 1 1 82 82 MET N N 15 115.959 . . 1 . . . . 82 MET N . 17274 1 849 . 1 1 83 83 THR H H 1 7.661 . . 1 . . . . 83 THR HN . 17274 1 850 . 1 1 83 83 THR HB H 1 4.245 . . 1 . . . . 83 THR HB . 17274 1 851 . 1 1 83 83 THR C C 13 176.301 . . 1 . . . . 83 THR C . 17274 1 852 . 1 1 83 83 THR CA C 13 65.720 . . 1 . . . . 83 THR CA . 17274 1 853 . 1 1 83 83 THR CB C 13 68.129 . . 1 . . . . 83 THR CB . 17274 1 854 . 1 1 83 83 THR CG2 C 13 22.352 . . 1 . . . . 83 THR CG2 . 17274 1 855 . 1 1 83 83 THR N N 15 110.240 . . 1 . . . . 83 THR N . 17274 1 856 . 1 1 84 84 SER H H 1 7.843 . . 1 . . . . 84 SER HN . 17274 1 857 . 1 1 84 84 SER HA H 1 4.145 . . 1 . . . . 84 SER HA . 17274 1 858 . 1 1 84 84 SER C C 13 175.809 . . 1 . . . . 84 SER C . 17274 1 859 . 1 1 84 84 SER CA C 13 62.572 . . 1 . . . . 84 SER CA . 17274 1 860 . 1 1 84 84 SER CB C 13 63.129 . . 1 . . . . 84 SER CB . 17274 1 861 . 1 1 84 84 SER N N 15 118.353 . . 1 . . . . 84 SER N . 17274 1 862 . 1 1 85 85 MET H H 1 8.647 . . 1 . . . . 85 MET HN . 17274 1 863 . 1 1 85 85 MET HA H 1 4.040 . . 1 . . . . 85 MET HA . 17274 1 864 . 1 1 85 85 MET HB2 H 1 2.550 . . 2 . . . . 85 MET HB1 . 17274 1 865 . 1 1 85 85 MET HB3 H 1 2.780 . . 2 . . . . 85 MET HB2 . 17274 1 866 . 1 1 85 85 MET HG2 H 1 2.075 . . 2 . . . . 85 MET HG1 . 17274 1 867 . 1 1 85 85 MET HG3 H 1 2.075 . . 2 . . . . 85 MET HG2 . 17274 1 868 . 1 1 85 85 MET C C 13 177.452 . . 1 . . . . 85 MET C . 17274 1 869 . 1 1 85 85 MET CA C 13 59.146 . . 1 . . . . 85 MET CA . 17274 1 870 . 1 1 85 85 MET CB C 13 32.622 . . 1 . . . . 85 MET CB . 17274 1 871 . 1 1 85 85 MET CG C 13 33.370 . . 1 . . . . 85 MET CG . 17274 1 872 . 1 1 85 85 MET N N 15 120.631 . . 1 . . . . 85 MET N . 17274 1 873 . 1 1 86 86 LEU H H 1 7.572 . . 1 . . . . 86 LEU HN . 17274 1 874 . 1 1 86 86 LEU HA H 1 4.247 . . 1 . . . . 86 LEU HA . 17274 1 875 . 1 1 86 86 LEU HB2 H 1 1.575 . . 2 . . . . 86 LEU HB1 . 17274 1 876 . 1 1 86 86 LEU HB3 H 1 1.840 . . 2 . . . . 86 LEU HB2 . 17274 1 877 . 1 1 86 86 LEU HG H 1 1.570 . . 1 . . . . 86 LEU HG . 17274 1 878 . 1 1 86 86 LEU C C 13 178.100 . . 1 . . . . 86 LEU C . 17274 1 879 . 1 1 86 86 LEU CA C 13 57.361 . . 1 . . . . 86 LEU CA . 17274 1 880 . 1 1 86 86 LEU CB C 13 40.834 . . 1 . . . . 86 LEU CB . 17274 1 881 . 1 1 86 86 LEU CG C 13 27.302 . . 1 . . . . 86 LEU CG . 17274 1 882 . 1 1 86 86 LEU N N 15 119.058 . . 1 . . . . 86 LEU N . 17274 1 883 . 1 1 87 87 ALA H H 1 8.095 . . 1 . . . . 87 ALA HN . 17274 1 884 . 1 1 87 87 ALA HA H 1 3.930 . . 1 . . . . 87 ALA HA . 17274 1 885 . 1 1 87 87 ALA C C 13 178.523 . . 1 . . . . 87 ALA C . 17274 1 886 . 1 1 87 87 ALA CA C 13 55.356 . . 1 . . . . 87 ALA CA . 17274 1 887 . 1 1 87 87 ALA CB C 13 16.560 . . 1 . . . . 87 ALA CB . 17274 1 888 . 1 1 87 87 ALA N N 15 118.278 . . 1 . . . . 87 ALA N . 17274 1 889 . 1 1 88 88 ARG H H 1 8.152 . . 1 . . . . 88 ARG HN . 17274 1 890 . 1 1 88 88 ARG HA H 1 3.580 . . 1 . . . . 88 ARG HA . 17274 1 891 . 1 1 88 88 ARG HB2 H 1 1.770 . . 2 . . . . 88 ARG HB1 . 17274 1 892 . 1 1 88 88 ARG HB3 H 1 1.770 . . 2 . . . . 88 ARG HB2 . 17274 1 893 . 1 1 88 88 ARG HG2 H 1 1.670 . . 2 . . . . 88 ARG HG1 . 17274 1 894 . 1 1 88 88 ARG HG3 H 1 1.670 . . 2 . . . . 88 ARG HG2 . 17274 1 895 . 1 1 88 88 ARG C C 13 179.550 . . 1 . . . . 88 ARG C . 17274 1 896 . 1 1 88 88 ARG CA C 13 60.515 . . 1 . . . . 88 ARG CA . 17274 1 897 . 1 1 88 88 ARG CB C 13 28.273 . . 1 . . . . 88 ARG CB . 17274 1 898 . 1 1 88 88 ARG CG C 13 27.462 . . 1 . . . . 88 ARG CG . 17274 1 899 . 1 1 88 88 ARG N N 15 115.775 . . 1 . . . . 88 ARG N . 17274 1 900 . 1 1 89 89 GLU H H 1 8.490 . . 1 . . . . 89 GLU HN . 17274 1 901 . 1 1 89 89 GLU HA H 1 3.850 . . 1 . . . . 89 GLU HA . 17274 1 902 . 1 1 89 89 GLU HB2 H 1 2.070 . . 2 . . . . 89 GLU HB1 . 17274 1 903 . 1 1 89 89 GLU HB3 H 1 2.070 . . 2 . . . . 89 GLU HB2 . 17274 1 904 . 1 1 89 89 GLU HG2 H 1 2.375 . . 2 . . . . 89 GLU HG1 . 17274 1 905 . 1 1 89 89 GLU HG3 H 1 2.375 . . 2 . . . . 89 GLU HG2 . 17274 1 906 . 1 1 89 89 GLU C C 13 179.910 . . 1 . . . . 89 GLU C . 17274 1 907 . 1 1 89 89 GLU CA C 13 59.329 . . 1 . . . . 89 GLU CA . 17274 1 908 . 1 1 89 89 GLU CB C 13 29.098 . . 1 . . . . 89 GLU CB . 17274 1 909 . 1 1 89 89 GLU CG C 13 36.530 . . 1 . . . . 89 GLU CG . 17274 1 910 . 1 1 89 89 GLU N N 15 120.153 . . 1 . . . . 89 GLU N . 17274 1 911 . 1 1 90 90 LEU H H 1 8.400 . . 1 . . . . 90 LEU HN . 17274 1 912 . 1 1 90 90 LEU HA H 1 4.275 . . 1 . . . . 90 LEU HA . 17274 1 913 . 1 1 90 90 LEU HG H 1 2.172 . . 1 . . . . 90 LEU HG . 17274 1 914 . 1 1 90 90 LEU C C 13 179.919 . . 1 . . . . 90 LEU C . 17274 1 915 . 1 1 90 90 LEU CA C 13 56.902 . . 1 . . . . 90 LEU CA . 17274 1 916 . 1 1 90 90 LEU CB C 13 40.396 . . 1 . . . . 90 LEU CB . 17274 1 917 . 1 1 90 90 LEU N N 15 117.829 . . 1 . . . . 90 LEU N . 17274 1 918 . 1 1 91 91 ILE H H 1 9.146 . . 1 . . . . 91 ILE HN . 17274 1 919 . 1 1 91 91 ILE HA H 1 3.740 . . 1 . . . . 91 ILE HA . 17274 1 920 . 1 1 91 91 ILE HB H 1 1.890 . . 1 . . . . 91 ILE HB . 17274 1 921 . 1 1 91 91 ILE HD11 H 1 0.145 . . 2 . . . . 91 ILE HD1# . 17274 1 922 . 1 1 91 91 ILE HD12 H 1 0.145 . . 2 . . . . 91 ILE HD1# . 17274 1 923 . 1 1 91 91 ILE HD13 H 1 0.145 . . 2 . . . . 91 ILE HD1# . 17274 1 924 . 1 1 91 91 ILE C C 13 178.302 . . 1 . . . . 91 ILE C . 17274 1 925 . 1 1 91 91 ILE CA C 13 65.938 . . 1 . . . . 91 ILE CA . 17274 1 926 . 1 1 91 91 ILE CB C 13 36.476 . . 1 . . . . 91 ILE CB . 17274 1 927 . 1 1 91 91 ILE CD1 C 13 12.996 . . 1 . . . . 91 ILE CD1 . 17274 1 928 . 1 1 91 91 ILE CG1 C 13 31.667 . . 1 . . . . 91 ILE CG1 . 17274 1 929 . 1 1 91 91 ILE CG2 C 13 19.224 . . 1 . . . . 91 ILE CG2 . 17274 1 930 . 1 1 91 91 ILE N N 15 121.699 . . 1 . . . . 91 ILE N . 17274 1 931 . 1 1 92 92 THR H H 1 8.099 . . 1 . . . . 92 THR HN . 17274 1 932 . 1 1 92 92 THR HA H 1 3.825 . . 1 . . . . 92 THR HA . 17274 1 933 . 1 1 92 92 THR HB H 1 4.503 . . 1 . . . . 92 THR HB . 17274 1 934 . 1 1 92 92 THR C C 13 176.174 . . 1 . . . . 92 THR C . 17274 1 935 . 1 1 92 92 THR CA C 13 67.945 . . 1 . . . . 92 THR CA . 17274 1 936 . 1 1 92 92 THR CB C 13 68.755 . . 1 . . . . 92 THR CB . 17274 1 937 . 1 1 92 92 THR CG2 C 13 21.292 . . 1 . . . . 92 THR CG2 . 17274 1 938 . 1 1 92 92 THR N N 15 117.124 . . 1 . . . . 92 THR N . 17274 1 939 . 1 1 93 93 GLU H H 1 6.943 . . 1 . . . . 93 GLU HN . 17274 1 940 . 1 1 93 93 GLU HA H 1 4.170 . . 1 . . . . 93 GLU HA . 17274 1 941 . 1 1 93 93 GLU C C 13 180.025 . . 1 . . . . 93 GLU C . 17274 1 942 . 1 1 93 93 GLU CA C 13 57.318 . . 1 . . . . 93 GLU CA . 17274 1 943 . 1 1 93 93 GLU CB C 13 28.110 . . 1 . . . . 93 GLU CB . 17274 1 944 . 1 1 93 93 GLU N N 15 117.675 . . 1 . . . . 93 GLU N . 17274 1 945 . 1 1 94 94 LEU H H 1 8.207 . . 1 . . . . 94 LEU HN . 17274 1 946 . 1 1 94 94 LEU HA H 1 4.170 . . 1 . . . . 94 LEU HA . 17274 1 947 . 1 1 94 94 LEU HB2 H 1 1.650 . . 2 . . . . 94 LEU HB1 . 17274 1 948 . 1 1 94 94 LEU HB3 H 1 1.650 . . 2 . . . . 94 LEU HB2 . 17274 1 949 . 1 1 94 94 LEU HG H 1 1.999 . . 1 . . . . 94 LEU HG . 17274 1 950 . 1 1 94 94 LEU C C 13 178.939 . . 1 . . . . 94 LEU C . 17274 1 951 . 1 1 94 94 LEU CA C 13 57.312 . . 1 . . . . 94 LEU CA . 17274 1 952 . 1 1 94 94 LEU CB C 13 41.450 . . 1 . . . . 94 LEU CB . 17274 1 953 . 1 1 94 94 LEU N N 15 121.835 . . 1 . . . . 94 LEU N . 17274 1 954 . 1 1 95 95 ILE H H 1 8.796 . . 1 . . . . 95 ILE HN . 17274 1 955 . 1 1 95 95 ILE HA H 1 3.563 . . 1 . . . . 95 ILE HA . 17274 1 956 . 1 1 95 95 ILE HB H 1 2.130 . . 1 . . . . 95 ILE HB . 17274 1 957 . 1 1 95 95 ILE HD11 H 1 0.825 . . 2 . . . . 95 ILE HD1# . 17274 1 958 . 1 1 95 95 ILE HD12 H 1 0.825 . . 2 . . . . 95 ILE HD1# . 17274 1 959 . 1 1 95 95 ILE HD13 H 1 0.825 . . 2 . . . . 95 ILE HD1# . 17274 1 960 . 1 1 95 95 ILE C C 13 177.323 . . 1 . . . . 95 ILE C . 17274 1 961 . 1 1 95 95 ILE CA C 13 66.915 . . 1 . . . . 95 ILE CA . 17274 1 962 . 1 1 95 95 ILE CB C 13 37.003 . . 1 . . . . 95 ILE CB . 17274 1 963 . 1 1 95 95 ILE CD1 C 13 14.342 . . 1 . . . . 95 ILE CD1 . 17274 1 964 . 1 1 95 95 ILE CG2 C 13 16.430 . . 1 . . . . 95 ILE CG2 . 17274 1 965 . 1 1 95 95 ILE N N 15 120.799 . . 1 . . . . 95 ILE N . 17274 1 966 . 1 1 96 96 GLU H H 1 7.584 . . 1 . . . . 96 GLU HN . 17274 1 967 . 1 1 96 96 GLU HA H 1 4.173 . . 1 . . . . 96 GLU HA . 17274 1 968 . 1 1 96 96 GLU HB2 H 1 2.212 . . 2 . . . . 96 GLU HB1 . 17274 1 969 . 1 1 96 96 GLU HB3 H 1 2.212 . . 2 . . . . 96 GLU HB2 . 17274 1 970 . 1 1 96 96 GLU HG2 H 1 2.567 . . 2 . . . . 96 GLU HG1 . 17274 1 971 . 1 1 96 96 GLU HG3 H 1 2.567 . . 2 . . . . 96 GLU HG2 . 17274 1 972 . 1 1 96 96 GLU C C 13 179.704 . . 1 . . . . 96 GLU C . 17274 1 973 . 1 1 96 96 GLU CA C 13 59.409 . . 1 . . . . 96 GLU CA . 17274 1 974 . 1 1 96 96 GLU CB C 13 28.703 . . 1 . . . . 96 GLU CB . 17274 1 975 . 1 1 96 96 GLU CG C 13 36.790 . . 1 . . . . 96 GLU CG . 17274 1 976 . 1 1 96 96 GLU N N 15 117.848 . . 1 . . . . 96 GLU N . 17274 1 977 . 1 1 97 97 LEU H H 1 7.486 . . 1 . . . . 97 LEU HN . 17274 1 978 . 1 1 97 97 LEU HA H 1 3.894 . . 1 . . . . 97 LEU HA . 17274 1 979 . 1 1 97 97 LEU HB2 H 1 1.040 . . 2 . . . . 97 LEU HB1 . 17274 1 980 . 1 1 97 97 LEU HB3 H 1 1.040 . . 2 . . . . 97 LEU HB2 . 17274 1 981 . 1 1 97 97 LEU HG H 1 1.390 . . 1 . . . . 97 LEU HG . 17274 1 982 . 1 1 97 97 LEU C C 13 178.248 . . 1 . . . . 97 LEU C . 17274 1 983 . 1 1 97 97 LEU CA C 13 58.298 . . 1 . . . . 97 LEU CA . 17274 1 984 . 1 1 97 97 LEU CB C 13 42.043 . . 1 . . . . 97 LEU CB . 17274 1 985 . 1 1 97 97 LEU CG C 13 28.737 . . 1 . . . . 97 LEU CG . 17274 1 986 . 1 1 97 97 LEU N N 15 119.451 . . 1 . . . . 97 LEU N . 17274 1 987 . 1 1 98 98 HIS H H 1 8.080 . . 1 . . . . 98 HIS HN . 17274 1 988 . 1 1 98 98 HIS HA H 1 4.310 . . 1 . . . . 98 HIS HA . 17274 1 989 . 1 1 98 98 HIS HB2 H 1 3.390 . . 2 . . . . 98 HIS HB1 . 17274 1 990 . 1 1 98 98 HIS HB3 H 1 3.390 . . 2 . . . . 98 HIS HB2 . 17274 1 991 . 1 1 98 98 HIS HD2 H 1 6.924 . . 1 . . . . 98 HIS HD2 . 17274 1 992 . 1 1 98 98 HIS C C 13 178.771 . . 1 . . . . 98 HIS C . 17274 1 993 . 1 1 98 98 HIS CA C 13 61.648 . . 1 . . . . 98 HIS CA . 17274 1 994 . 1 1 98 98 HIS CB C 13 29.954 . . 1 . . . . 98 HIS CB . 17274 1 995 . 1 1 98 98 HIS N N 15 116.886 . . 1 . . . . 98 HIS N . 17274 1 996 . 1 1 99 99 GLU H H 1 8.392 . . 1 . . . . 99 GLU HN . 17274 1 997 . 1 1 99 99 GLU HA H 1 3.945 . . 1 . . . . 99 GLU HA . 17274 1 998 . 1 1 99 99 GLU HB2 H 1 2.115 . . 2 . . . . 99 GLU HB1 . 17274 1 999 . 1 1 99 99 GLU HB3 H 1 2.115 . . 2 . . . . 99 GLU HB2 . 17274 1 1000 . 1 1 99 99 GLU C C 13 178.669 . . 1 . . . . 99 GLU C . 17274 1 1001 . 1 1 99 99 GLU CA C 13 59.062 . . 1 . . . . 99 GLU CA . 17274 1 1002 . 1 1 99 99 GLU CB C 13 28.373 . . 1 . . . . 99 GLU CB . 17274 1 1003 . 1 1 99 99 GLU N N 15 120.797 . . 1 . . . . 99 GLU N . 17274 1 1004 . 1 1 100 100 LYS H H 1 7.750 . . 1 . . . . 100 LYS HN . 17274 1 1005 . 1 1 100 100 LYS HA H 1 4.107 . . 1 . . . . 100 LYS HA . 17274 1 1006 . 1 1 100 100 LYS HB2 H 1 1.977 . . 2 . . . . 100 LYS HB1 . 17274 1 1007 . 1 1 100 100 LYS HB3 H 1 1.977 . . 2 . . . . 100 LYS HB2 . 17274 1 1008 . 1 1 100 100 LYS HD2 H 1 1.730 . . 2 . . . . 100 LYS HD1 . 17274 1 1009 . 1 1 100 100 LYS HD3 H 1 1.730 . . 2 . . . . 100 LYS HD2 . 17274 1 1010 . 1 1 100 100 LYS HG2 H 1 1.570 . . 2 . . . . 100 LYS HG1 . 17274 1 1011 . 1 1 100 100 LYS HG3 H 1 1.720 . . 2 . . . . 100 LYS HG2 . 17274 1 1012 . 1 1 100 100 LYS C C 13 177.941 . . 1 . . . . 100 LYS C . 17274 1 1013 . 1 1 100 100 LYS CA C 13 57.781 . . 1 . . . . 100 LYS CA . 17274 1 1014 . 1 1 100 100 LYS CB C 13 31.898 . . 1 . . . . 100 LYS CB . 17274 1 1015 . 1 1 100 100 LYS CD C 13 29.462 . . 1 . . . . 100 LYS CD . 17274 1 1016 . 1 1 100 100 LYS CE C 13 42.090 . . 1 . . . . 100 LYS CE . 17274 1 1017 . 1 1 100 100 LYS CG C 13 25.595 . . 1 . . . . 100 LYS CG . 17274 1 1018 . 1 1 100 100 LYS N N 15 118.642 . . 1 . . . . 100 LYS N . 17274 1 1019 . 1 1 101 101 LEU H H 1 7.493 . . 1 . . . . 101 LEU HN . 17274 1 1020 . 1 1 101 101 LEU HA H 1 4.252 . . 1 . . . . 101 LEU HA . 17274 1 1021 . 1 1 101 101 LEU HB2 H 1 1.748 . . 2 . . . . 101 LEU HB1 . 17274 1 1022 . 1 1 101 101 LEU HB3 H 1 1.748 . . 2 . . . . 101 LEU HB2 . 17274 1 1023 . 1 1 101 101 LEU HG H 1 1.750 . . 1 . . . . 101 LEU HG . 17274 1 1024 . 1 1 101 101 LEU C C 13 177.033 . . 1 . . . . 101 LEU C . 17274 1 1025 . 1 1 101 101 LEU CA C 13 55.203 . . 1 . . . . 101 LEU CA . 17274 1 1026 . 1 1 101 101 LEU CB C 13 41.351 . . 1 . . . . 101 LEU CB . 17274 1 1027 . 1 1 101 101 LEU CG C 13 26.872 . . 1 . . . . 101 LEU CG . 17274 1 1028 . 1 1 101 101 LEU N N 15 118.214 . . 1 . . . . 101 LEU N . 17274 1 1029 . 1 1 102 102 LYS H H 1 7.422 . . 1 . . . . 102 LYS HN . 17274 1 1030 . 1 1 102 102 LYS HA H 1 4.369 . . 1 . . . . 102 LYS HA . 17274 1 1031 . 1 1 102 102 LYS HB2 H 1 2.010 . . 2 . . . . 102 LYS HB1 . 17274 1 1032 . 1 1 102 102 LYS HB3 H 1 2.055 . . 2 . . . . 102 LYS HB2 . 17274 1 1033 . 1 1 102 102 LYS HD2 H 1 1.800 . . 2 . . . . 102 LYS HD1 . 17274 1 1034 . 1 1 102 102 LYS HD3 H 1 1.800 . . 2 . . . . 102 LYS HD2 . 17274 1 1035 . 1 1 102 102 LYS HG2 H 1 1.630 . . 2 . . . . 102 LYS HG1 . 17274 1 1036 . 1 1 102 102 LYS HG3 H 1 1.630 . . 2 . . . . 102 LYS HG2 . 17274 1 1037 . 1 1 102 102 LYS C C 13 175.189 . . 1 . . . . 102 LYS C . 17274 1 1038 . 1 1 102 102 LYS CA C 13 56.080 . . 1 . . . . 102 LYS CA . 17274 1 1039 . 1 1 102 102 LYS CB C 13 31.766 . . 1 . . . . 102 LYS CB . 17274 1 1040 . 1 1 102 102 LYS CD C 13 29.222 . . 1 . . . . 102 LYS CD . 17274 1 1041 . 1 1 102 102 LYS CE C 13 42.288 . . 1 . . . . 102 LYS CE . 17274 1 1042 . 1 1 102 102 LYS CG C 13 24.544 . . 1 . . . . 102 LYS CG . 17274 1 1043 . 1 1 102 102 LYS N N 15 120.035 . . 1 . . . . 102 LYS N . 17274 1 1044 . 1 1 103 103 ALA H H 1 7.834 . . 1 . . . . 103 ALA HN . 17274 1 1045 . 1 1 103 103 ALA HA H 1 4.185 . . 1 . . . . 103 ALA HA . 17274 1 1046 . 1 1 103 103 ALA CA C 13 53.540 . . 1 . . . . 103 ALA CA . 17274 1 1047 . 1 1 103 103 ALA CB C 13 19.184 . . 1 . . . . 103 ALA CB . 17274 1 1048 . 1 1 103 103 ALA N N 15 131.157 . . 1 . . . . 103 ALA N . 17274 1 1049 . 2 2 1 1 MET HA H 1 4.581 . . 1 . . . . 601 MET HA . 17274 1 1050 . 2 2 1 1 MET HB2 H 1 2.245 . . 2 . . . . 601 MET HB1 . 17274 1 1051 . 2 2 1 1 MET HB3 H 1 2.053 . . 2 . . . . 601 MET HB2 . 17274 1 1052 . 2 2 1 1 MET HG2 H 1 2.436 . . 2 . . . . 601 MET HG1 . 17274 1 1053 . 2 2 1 1 MET HG3 H 1 2.436 . . 2 . . . . 601 MET HG2 . 17274 1 1054 . 2 2 1 1 MET CA C 13 54.814 . . 1 . . . . 601 MET CA . 17274 1 1055 . 2 2 1 1 MET CB C 13 32.653 . . 1 . . . . 601 MET CB . 17274 1 1056 . 2 2 1 1 MET CG C 13 31.317 . . 1 . . . . 601 MET CG . 17274 1 1057 . 2 2 2 2 PHE HA H 1 4.763 . . 1 . . . . 602 PHE HA . 17274 1 1058 . 2 2 2 2 PHE HB2 H 1 2.596 . . 2 . . . . 602 PHE HB1 . 17274 1 1059 . 2 2 2 2 PHE HB3 H 1 3.131 . . 2 . . . . 602 PHE HB2 . 17274 1 1060 . 2 2 2 2 PHE HD1 H 1 7.223 . . 2 . . . . 602 PHE HD1 . 17274 1 1061 . 2 2 2 2 PHE HD2 H 1 7.223 . . 2 . . . . 602 PHE HD2 . 17274 1 1062 . 2 2 2 2 PHE CA C 13 57.438 . . 1 . . . . 602 PHE CA . 17274 1 1063 . 2 2 2 2 PHE CB C 13 42.911 . . 1 . . . . 602 PHE CB . 17274 1 1064 . 2 2 2 2 PHE CD1 C 13 132.463 . . 2 . . . . 602 PHE CD1 . 17274 1 1065 . 2 2 2 2 PHE CD2 C 13 132.463 . . 2 . . . . 602 PHE CD2 . 17274 1 1066 . 2 2 2 2 PHE CE1 C 13 131.721 . . 2 . . . . 602 PHE CE1 . 17274 1 1067 . 2 2 2 2 PHE CE2 C 13 131.721 . . 2 . . . . 602 PHE CE2 . 17274 1 1068 . 2 2 3 3 GLN H H 1 7.661 . . 1 . . . . 603 GLN HN . 17274 1 1069 . 2 2 3 3 GLN HA H 1 5.706 . . 1 . . . . 603 GLN HA . 17274 1 1070 . 2 2 3 3 GLN HB2 H 1 2.041 . . 2 . . . . 603 GLN HB1 . 17274 1 1071 . 2 2 3 3 GLN HB3 H 1 1.938 . . 2 . . . . 603 GLN HB2 . 17274 1 1072 . 2 2 3 3 GLN CA C 13 53.776 . . 1 . . . . 603 GLN CA . 17274 1 1073 . 2 2 3 3 GLN CB C 13 32.679 . . 1 . . . . 603 GLN CB . 17274 1 1074 . 2 2 3 3 GLN N N 15 123.252 . . 1 . . . . 603 GLN N . 17274 1 1075 . 2 2 4 4 GLN H H 1 8.527 . . 1 . . . . 604 GLN HN . 17274 1 1076 . 2 2 4 4 GLN HA H 1 4.361 . . 1 . . . . 604 GLN HA . 17274 1 1077 . 2 2 4 4 GLN HB2 H 1 1.825 . . 2 . . . . 604 GLN HB1 . 17274 1 1078 . 2 2 4 4 GLN HB3 H 1 1.825 . . 2 . . . . 604 GLN HB2 . 17274 1 1079 . 2 2 4 4 GLN HG2 H 1 2.350 . . 2 . . . . 604 GLN HG1 . 17274 1 1080 . 2 2 4 4 GLN HG3 H 1 2.350 . . 2 . . . . 604 GLN HG2 . 17274 1 1081 . 2 2 4 4 GLN CA C 13 55.686 . . 1 . . . . 604 GLN CA . 17274 1 1082 . 2 2 4 4 GLN CB C 13 34.664 . . 1 . . . . 604 GLN CB . 17274 1 1083 . 2 2 4 4 GLN CG C 13 34.223 . . 1 . . . . 604 GLN CG . 17274 1 1084 . 2 2 4 4 GLN N N 15 119.696 . . 1 . . . . 604 GLN N . 17274 1 1085 . 2 2 5 5 GLU H H 1 8.376 . . 1 . . . . 605 GLU HN . 17274 1 1086 . 2 2 5 5 GLU HA H 1 5.361 . . 1 . . . . 605 GLU HA . 17274 1 1087 . 2 2 5 5 GLU HB2 H 1 1.799 . . 2 . . . . 605 GLU HB1 . 17274 1 1088 . 2 2 5 5 GLU HB3 H 1 1.799 . . 2 . . . . 605 GLU HB2 . 17274 1 1089 . 2 2 5 5 GLU HG2 H 1 2.098 . . 2 . . . . 605 GLU HG1 . 17274 1 1090 . 2 2 5 5 GLU HG3 H 1 2.098 . . 2 . . . . 605 GLU HG2 . 17274 1 1091 . 2 2 5 5 GLU CA C 13 55.034 . . 1 . . . . 605 GLU CA . 17274 1 1092 . 2 2 5 5 GLU CB C 13 32.232 . . 1 . . . . 605 GLU CB . 17274 1 1093 . 2 2 5 5 GLU CG C 13 37.058 . . 1 . . . . 605 GLU CG . 17274 1 1094 . 2 2 5 5 GLU N N 15 123.577 . . 1 . . . . 605 GLU N . 17274 1 1095 . 2 2 6 6 VAL H H 1 9.312 . . 1 . . . . 606 VAL HN . 17274 1 1096 . 2 2 6 6 VAL HA H 1 4.509 . . 1 . . . . 606 VAL HA . 17274 1 1097 . 2 2 6 6 VAL HB H 1 2.101 . . 1 . . . . 606 VAL HB . 17274 1 1098 . 2 2 6 6 VAL HG11 H 1 1.059 . . 2 . . . . 606 VAL HG1# . 17274 1 1099 . 2 2 6 6 VAL HG12 H 1 1.059 . . 2 . . . . 606 VAL HG1# . 17274 1 1100 . 2 2 6 6 VAL HG13 H 1 1.059 . . 2 . . . . 606 VAL HG1# . 17274 1 1101 . 2 2 6 6 VAL HG21 H 1 0.872 . . 2 . . . . 606 VAL HG2# . 17274 1 1102 . 2 2 6 6 VAL HG22 H 1 0.872 . . 2 . . . . 606 VAL HG2# . 17274 1 1103 . 2 2 6 6 VAL HG23 H 1 0.872 . . 2 . . . . 606 VAL HG2# . 17274 1 1104 . 2 2 6 6 VAL CA C 13 60.379 . . 1 . . . . 606 VAL CA . 17274 1 1105 . 2 2 6 6 VAL CB C 13 35.210 . . 1 . . . . 606 VAL CB . 17274 1 1106 . 2 2 6 6 VAL CG1 C 13 21.677 . . 2 . . . . 606 VAL CG1 . 17274 1 1107 . 2 2 6 6 VAL CG2 C 13 20.519 . . 2 . . . . 606 VAL CG2 . 17274 1 1108 . 2 2 6 6 VAL N N 15 122.199 . . 1 . . . . 606 VAL N . 17274 1 1109 . 2 2 7 7 THR H H 1 8.306 . . 1 . . . . 607 THR HN . 17274 1 1110 . 2 2 7 7 THR HA H 1 4.824 . . 1 . . . . 607 THR HA . 17274 1 1111 . 2 2 7 7 THR HB H 1 3.836 . . 1 . . . . 607 THR HB . 17274 1 1112 . 2 2 7 7 THR CA C 13 62.019 . . 1 . . . . 607 THR CA . 17274 1 1113 . 2 2 7 7 THR CB C 13 69.679 . . 1 . . . . 607 THR CB . 17274 1 1114 . 2 2 7 7 THR CG2 C 13 21.064 . . 1 . . . . 607 THR CG2 . 17274 1 1115 . 2 2 7 7 THR N N 15 123.431 . . 1 . . . . 607 THR N . 17274 1 1116 . 2 2 8 8 ILE H H 1 8.772 . . 1 . . . . 608 ILE HN . 17274 1 1117 . 2 2 8 8 ILE HA H 1 3.908 . . 1 . . . . 608 ILE HA . 17274 1 1118 . 2 2 8 8 ILE HB H 1 2.087 . . 1 . . . . 608 ILE HB . 17274 1 1119 . 2 2 8 8 ILE HD11 H 1 0.701 . . 2 . . . . 608 ILE HD1# . 17274 1 1120 . 2 2 8 8 ILE HD12 H 1 0.701 . . 2 . . . . 608 ILE HD1# . 17274 1 1121 . 2 2 8 8 ILE HD13 H 1 0.701 . . 2 . . . . 608 ILE HD1# . 17274 1 1122 . 2 2 8 8 ILE CA C 13 62.003 . . 1 . . . . 608 ILE CA . 17274 1 1123 . 2 2 8 8 ILE CB C 13 37.381 . . 1 . . . . 608 ILE CB . 17274 1 1124 . 2 2 8 8 ILE CD1 C 13 13.524 . . 1 . . . . 608 ILE CD1 . 17274 1 1125 . 2 2 8 8 ILE CG1 C 13 27.702 . . 1 . . . . 608 ILE CG1 . 17274 1 1126 . 2 2 8 8 ILE CG2 C 13 17.456 . . 1 . . . . 608 ILE CG2 . 17274 1 1127 . 2 2 8 8 ILE N N 15 127.284 . . 1 . . . . 608 ILE N . 17274 1 1128 . 2 2 9 9 THR H H 1 8.530 . . 1 . . . . 609 THR HN . 17274 1 1129 . 2 2 9 9 THR HA H 1 4.486 . . 1 . . . . 609 THR HA . 17274 1 1130 . 2 2 9 9 THR HB H 1 4.380 . . 1 . . . . 609 THR HB . 17274 1 1131 . 2 2 9 9 THR CA C 13 61.526 . . 1 . . . . 609 THR CA . 17274 1 1132 . 2 2 9 9 THR CB C 13 69.465 . . 1 . . . . 609 THR CB . 17274 1 1133 . 2 2 9 9 THR CG2 C 13 21.766 . . 1 . . . . 609 THR CG2 . 17274 1 1134 . 2 2 9 9 THR N N 15 121.688 . . 1 . . . . 609 THR N . 17274 1 1135 . 2 2 10 10 ALA H H 1 7.615 . . 1 . . . . 610 ALA HN . 17274 1 1136 . 2 2 10 10 ALA HA H 1 4.475 . . 1 . . . . 610 ALA HA . 17274 1 1137 . 2 2 10 10 ALA CA C 13 50.974 . . 1 . . . . 610 ALA CA . 17274 1 1138 . 2 2 10 10 ALA CB C 13 18.213 . . 1 . . . . 610 ALA CB . 17274 1 1139 . 2 2 10 10 ALA N N 15 131.267 . . 1 . . . . 610 ALA N . 17274 1 1140 . 2 2 11 11 PRO CA C 13 65.305 . . 1 . . . . 611 PRO C . 17274 1 1141 . 2 2 11 11 PRO CB C 13 32.111 . . 1 . . . . 611 PRO C . 17274 1 1142 . 2 2 11 11 PRO CG C 13 27.713 . . 1 . . . . 611 PRO C . 17274 1 1143 . 2 2 11 11 PRO CD C 13 51.031 . . 1 . . . . 611 PRO C . 17274 1 1144 . 2 2 11 11 PRO HA H 1 4.130 . . 1 . . . . 611 PRO H . 17274 1 1145 . 2 2 11 11 PRO HB2 H 1 1.877 . . 1 . . . . 611 PRO H . 17274 1 1146 . 2 2 11 11 PRO HB3 H 1 2.313 . . 1 . . . . 611 PRO H . 17274 1 1147 . 2 2 11 11 PRO HG2 H 1 2.079 . . 1 . . . . 611 PRO H . 17274 1 1148 . 2 2 11 11 PRO HG3 H 1 2.079 . . 1 . . . . 611 PRO H . 17274 1 1149 . 2 2 11 11 PRO HD2 H 1 3.888 . . 1 . . . . 611 PRO H . 17274 1 1150 . 2 2 11 11 PRO HD3 H 1 3.888 . . 1 . . . . 611 PRO H . 17274 1 1151 . 2 2 12 12 ASN H H 1 8.863 . . 1 . . . . 612 ASN HN . 17274 1 1152 . 2 2 12 12 ASN HA H 1 4.829 . . 1 . . . . 612 ASN HA . 17274 1 1153 . 2 2 12 12 ASN HB2 H 1 2.684 . . 2 . . . . 612 ASN HB1 . 17274 1 1154 . 2 2 12 12 ASN HB3 H 1 2.849 . . 2 . . . . 612 ASN HB2 . 17274 1 1155 . 2 2 12 12 ASN CA C 13 52.752 . . 1 . . . . 612 ASN CA . 17274 1 1156 . 2 2 12 12 ASN CB C 13 38.738 . . 1 . . . . 612 ASN CB . 17274 1 1157 . 2 2 12 12 ASN N N 15 115.324 . . 1 . . . . 612 ASN N . 17274 1 1158 . 2 2 13 13 GLY H H 1 8.028 . . 1 . . . . 613 GLY HN . 17274 1 1159 . 2 2 13 13 GLY HA2 H 1 3.353 . . 2 . . . . 613 GLY HA1 . 17274 1 1160 . 2 2 13 13 GLY HA3 H 1 4.154 . . 2 . . . . 613 GLY HA2 . 17274 1 1161 . 2 2 13 13 GLY CA C 13 45.182 . . 1 . . . . 613 GLY CA . 17274 1 1162 . 2 2 13 13 GLY N N 15 107.372 . . 1 . . . . 613 GLY N . 17274 1 1163 . 2 2 14 14 LEU H H 1 8.270 . . 1 . . . . 614 LEU HN . 17274 1 1164 . 2 2 14 14 LEU HA H 1 4.453 . . 1 . . . . 614 LEU HA . 17274 1 1165 . 2 2 14 14 LEU HB2 H 1 1.030 . . 2 . . . . 614 LEU HB1 . 17274 1 1166 . 2 2 14 14 LEU HB3 H 1 1.940 . . 2 . . . . 614 LEU HB2 . 17274 1 1167 . 2 2 14 14 LEU HD11 H 1 0.636 . . 2 . . . . 614 LEU HD1# . 17274 1 1168 . 2 2 14 14 LEU HD12 H 1 0.636 . . 2 . . . . 614 LEU HD1# . 17274 1 1169 . 2 2 14 14 LEU HD13 H 1 0.636 . . 2 . . . . 614 LEU HD1# . 17274 1 1170 . 2 2 14 14 LEU HD21 H 1 0.459 . . 2 . . . . 614 LEU HD2# . 17274 1 1171 . 2 2 14 14 LEU HD22 H 1 0.459 . . 2 . . . . 614 LEU HD2# . 17274 1 1172 . 2 2 14 14 LEU HD23 H 1 0.459 . . 2 . . . . 614 LEU HD2# . 17274 1 1173 . 2 2 14 14 LEU HG H 1 1.187 . . 1 . . . . 614 LEU HG . 17274 1 1174 . 2 2 14 14 LEU CA C 13 53.395 . . 1 . . . . 614 LEU CA . 17274 1 1175 . 2 2 14 14 LEU CB C 13 40.823 . . 1 . . . . 614 LEU CB . 17274 1 1176 . 2 2 14 14 LEU CD1 C 13 24.382 . . 2 . . . . 614 LEU CD1 . 17274 1 1177 . 2 2 14 14 LEU CD2 C 13 25.280 . . 2 . . . . 614 LEU CD2 . 17274 1 1178 . 2 2 14 14 LEU CG C 13 28.193 . . 1 . . . . 614 LEU CG . 17274 1 1179 . 2 2 14 14 LEU N N 15 124.337 . . 1 . . . . 614 LEU N . 17274 1 1180 . 2 2 15 15 HIS H H 1 6.735 . . 1 . . . . 615 HIS HN . 17274 1 1181 . 2 2 15 15 HIS HA H 1 4.744 . . 1 . . . . 615 HIS HA . 17274 1 1182 . 2 2 15 15 HIS HB2 H 1 3.171 . . 2 . . . . 615 HIS HB1 . 17274 1 1183 . 2 2 15 15 HIS HB3 H 1 3.532 . . 2 . . . . 615 HIS HB2 . 17274 1 1184 . 2 2 15 15 HIS HD2 H 1 7.145 . . 1 . . . . 615 HIS HD2 . 17274 1 1185 . 2 2 15 15 HIS CA C 13 54.680 . . 1 . . . . 615 HIS CA . 17274 1 1186 . 2 2 15 15 HIS CB C 13 29.646 . . 1 . . . . 615 HIS CB . 17274 1 1187 . 2 2 15 15 HIS CD2 C 13 119.697 . . 1 . . . . 615 HIS CD2 . 17274 1 1188 . 2 2 15 15 HIS N N 15 120.117 . . 1 . . . . 615 HIS N . 17274 1 1189 . 2 2 16 16 THR H H 1 8.220 . . 1 . . . . 616 THR HN . 17274 1 1190 . 2 2 16 16 THR CG2 C 13 22.697 . . 1 . . . . 616 THR CG2 . 17274 1 1191 . 2 2 16 16 THR N N 15 114.368 . . 1 . . . . 616 THR N . 17274 1 1192 . 2 2 17 17 ARG H H 1 8.604 . . 1 . . . . 617 ARG HN . 17274 1 1193 . 2 2 17 17 ARG HA H 1 4.309 . . 1 . . . . 617 ARG HA . 17274 1 1194 . 2 2 17 17 ARG HB2 H 1 1.966 . . 2 . . . . 617 ARG HB1 . 17274 1 1195 . 2 2 17 17 ARG HB3 H 1 1.920 . . 2 . . . . 617 ARG HB2 . 17274 1 1196 . 2 2 17 17 ARG HD2 H 1 3.267 . . 2 . . . . 617 ARG HD1 . 17274 1 1197 . 2 2 17 17 ARG HD3 H 1 3.302 . . 2 . . . . 617 ARG HD2 . 17274 1 1198 . 2 2 17 17 ARG HG2 H 1 1.594 . . 2 . . . . 617 ARG HG1 . 17274 1 1199 . 2 2 17 17 ARG HG3 H 1 1.784 . . 2 . . . . 617 ARG HG2 . 17274 1 1200 . 2 2 17 17 ARG CA C 13 61.555 . . 1 . . . . 617 ARG CA . 17274 1 1201 . 2 2 17 17 ARG CB C 13 27.405 . . 1 . . . . 617 ARG CB . 17274 1 1202 . 2 2 17 17 ARG CD C 13 43.499 . . 1 . . . . 617 ARG CD . 17274 1 1203 . 2 2 17 17 ARG CG C 13 27.633 . . 1 . . . . 617 ARG CG . 17274 1 1204 . 2 2 17 17 ARG N N 15 118.975 . . 1 . . . . 617 ARG N . 17274 1 1205 . 2 2 18 18 PRO CA C 13 65.177 . . 1 . . . . 618 PRO C . 17274 1 1206 . 2 2 18 18 PRO CB C 13 31.262 . . 1 . . . . 618 PRO C . 17274 1 1207 . 2 2 18 18 PRO HA H 1 4.483 . . 1 . . . . 618 PRO H . 17274 1 1208 . 2 2 18 18 PRO HB2 H 1 2.139 . . 1 . . . . 618 PRO H . 17274 1 1209 . 2 2 18 18 PRO HB3 H 1 1.683 . . 1 . . . . 618 PRO H . 17274 1 1210 . 2 2 19 19 ALA H H 1 8.404 . . 1 . . . . 619 ALA HN . 17274 1 1211 . 2 2 19 19 ALA HA H 1 3.798 . . 1 . . . . 619 ALA HA . 17274 1 1212 . 2 2 19 19 ALA CA C 13 55.718 . . 1 . . . . 619 ALA CA . 17274 1 1213 . 2 2 19 19 ALA CB C 13 17.611 . . 1 . . . . 619 ALA CB . 17274 1 1214 . 2 2 19 19 ALA N N 15 122.386 . . 1 . . . . 619 ALA N . 17274 1 1215 . 2 2 20 20 ALA H H 1 8.378 . . 1 . . . . 620 ALA HN . 17274 1 1216 . 2 2 20 20 ALA HA H 1 4.010 . . 1 . . . . 620 ALA HA . 17274 1 1217 . 2 2 20 20 ALA CA C 13 55.198 . . 1 . . . . 620 ALA CA . 17274 1 1218 . 2 2 20 20 ALA CB C 13 17.559 . . 1 . . . . 620 ALA CB . 17274 1 1219 . 2 2 20 20 ALA N N 15 120.093 . . 1 . . . . 620 ALA N . 17274 1 1220 . 2 2 21 21 GLN H H 1 7.534 . . 1 . . . . 621 GLN HN . 17274 1 1221 . 2 2 21 21 GLN HA H 1 3.962 . . 1 . . . . 621 GLN HA . 17274 1 1222 . 2 2 21 21 GLN HB2 H 1 2.203 . . 2 . . . . 621 GLN HB1 . 17274 1 1223 . 2 2 21 21 GLN HB3 H 1 2.171 . . 2 . . . . 621 GLN HB2 . 17274 1 1224 . 2 2 21 21 GLN HG2 H 1 2.478 . . 2 . . . . 621 GLN HG1 . 17274 1 1225 . 2 2 21 21 GLN HG3 H 1 2.384 . . 2 . . . . 621 GLN HG2 . 17274 1 1226 . 2 2 21 21 GLN CA C 13 59.094 . . 1 . . . . 621 GLN CA . 17274 1 1227 . 2 2 21 21 GLN CB C 13 28.365 . . 1 . . . . 621 GLN CB . 17274 1 1228 . 2 2 21 21 GLN CG C 13 33.687 . . 1 . . . . 621 GLN CG . 17274 1 1229 . 2 2 21 21 GLN N N 15 119.279 . . 1 . . . . 621 GLN N . 17274 1 1230 . 2 2 22 22 PHE H H 1 8.497 . . 1 . . . . 622 PHE HN . 17274 1 1231 . 2 2 22 22 PHE HA H 1 3.879 . . 1 . . . . 622 PHE HA . 17274 1 1232 . 2 2 22 22 PHE HB2 H 1 3.553 . . 2 . . . . 622 PHE HB1 . 17274 1 1233 . 2 2 22 22 PHE HB3 H 1 2.960 . . 2 . . . . 622 PHE HB2 . 17274 1 1234 . 2 2 22 22 PHE HD1 H 1 7.088 . . 2 . . . . 622 PHE HD1 . 17274 1 1235 . 2 2 22 22 PHE HD2 H 1 7.088 . . 2 . . . . 622 PHE HD2 . 17274 1 1236 . 2 2 22 22 PHE CA C 13 62.156 . . 1 . . . . 622 PHE CA . 17274 1 1237 . 2 2 22 22 PHE CB C 13 39.426 . . 1 . . . . 622 PHE CB . 17274 1 1238 . 2 2 22 22 PHE CD1 C 13 132.206 . . 2 . . . . 622 PHE CD1 . 17274 1 1239 . 2 2 22 22 PHE CD2 C 13 132.206 . . 2 . . . . 622 PHE CD2 . 17274 1 1240 . 2 2 22 22 PHE CE1 C 13 131.245 . . 2 . . . . 622 PHE CE1 . 17274 1 1241 . 2 2 22 22 PHE CE2 C 13 131.245 . . 2 . . . . 622 PHE CE2 . 17274 1 1242 . 2 2 22 22 PHE N N 15 122.582 . . 1 . . . . 622 PHE N . 17274 1 1243 . 2 2 23 23 VAL H H 1 8.447 . . 1 . . . . 623 VAL HN . 17274 1 1244 . 2 2 23 23 VAL HA H 1 4.131 . . 1 . . . . 623 VAL HA . 17274 1 1245 . 2 2 23 23 VAL HB H 1 2.065 . . 1 . . . . 623 VAL HB . 17274 1 1246 . 2 2 23 23 VAL HG11 H 1 1.106 . . 2 . . . . 623 VAL HG1# . 17274 1 1247 . 2 2 23 23 VAL HG12 H 1 1.106 . . 2 . . . . 623 VAL HG1# . 17274 1 1248 . 2 2 23 23 VAL HG13 H 1 1.106 . . 2 . . . . 623 VAL HG1# . 17274 1 1249 . 2 2 23 23 VAL HG21 H 1 0.861 . . 2 . . . . 623 VAL HG2# . 17274 1 1250 . 2 2 23 23 VAL HG22 H 1 0.861 . . 2 . . . . 623 VAL HG2# . 17274 1 1251 . 2 2 23 23 VAL HG23 H 1 0.861 . . 2 . . . . 623 VAL HG2# . 17274 1 1252 . 2 2 23 23 VAL CA C 13 65.234 . . 1 . . . . 623 VAL CA . 17274 1 1253 . 2 2 23 23 VAL CB C 13 32.112 . . 1 . . . . 623 VAL CB . 17274 1 1254 . 2 2 23 23 VAL CG1 C 13 22.767 . . 2 . . . . 623 VAL CG1 . 17274 1 1255 . 2 2 23 23 VAL CG2 C 13 21.686 . . 2 . . . . 623 VAL CG2 . 17274 1 1256 . 2 2 23 23 VAL N N 15 120.113 . . 1 . . . . 623 VAL N . 17274 1 1257 . 2 2 24 24 LYS H H 1 7.942 . . 1 . . . . 624 LYS HN . 17274 1 1258 . 2 2 24 24 LYS HA H 1 3.805 . . 1 . . . . 624 LYS HA . 17274 1 1259 . 2 2 24 24 LYS HB2 H 1 1.895 . . 2 . . . . 624 LYS HB1 . 17274 1 1260 . 2 2 24 24 LYS HB3 H 1 1.895 . . 2 . . . . 624 LYS HB2 . 17274 1 1261 . 2 2 24 24 LYS HD2 H 1 1.642 . . 2 . . . . 624 LYS HD1 . 17274 1 1262 . 2 2 24 24 LYS HD3 H 1 1.642 . . 2 . . . . 624 LYS HD2 . 17274 1 1263 . 2 2 24 24 LYS HG2 H 1 1.595 . . 2 . . . . 624 LYS HG1 . 17274 1 1264 . 2 2 24 24 LYS HG3 H 1 1.314 . . 2 . . . . 624 LYS HG2 . 17274 1 1265 . 2 2 24 24 LYS CA C 13 60.199 . . 1 . . . . 624 LYS CA . 17274 1 1266 . 2 2 24 24 LYS CB C 13 32.690 . . 1 . . . . 624 LYS CB . 17274 1 1267 . 2 2 24 24 LYS CD C 13 29.393 . . 1 . . . . 624 LYS CD . 17274 1 1268 . 2 2 24 24 LYS CE C 13 42.175 . . 1 . . . . 624 LYS CE . 17274 1 1269 . 2 2 24 24 LYS CG C 13 25.763 . . 1 . . . . 624 LYS CG . 17274 1 1270 . 2 2 24 24 LYS N N 15 119.928 . . 1 . . . . 624 LYS N . 17274 1 1271 . 2 2 25 25 GLU H H 1 8.029 . . 1 . . . . 625 GLU HN . 17274 1 1272 . 2 2 25 25 GLU HA H 1 3.942 . . 1 . . . . 625 GLU HA . 17274 1 1273 . 2 2 25 25 GLU HB2 H 1 1.962 . . 2 . . . . 625 GLU HB1 . 17274 1 1274 . 2 2 25 25 GLU HB3 H 1 1.962 . . 2 . . . . 625 GLU HB2 . 17274 1 1275 . 2 2 25 25 GLU HG2 H 1 2.509 . . 2 . . . . 625 GLU HG1 . 17274 1 1276 . 2 2 25 25 GLU HG3 H 1 2.322 . . 2 . . . . 625 GLU HG2 . 17274 1 1277 . 2 2 25 25 GLU CA C 13 58.829 . . 1 . . . . 625 GLU CA . 17274 1 1278 . 2 2 25 25 GLU CB C 13 28.983 . . 1 . . . . 625 GLU CB . 17274 1 1279 . 2 2 25 25 GLU CG C 13 37.176 . . 1 . . . . 625 GLU CG . 17274 1 1280 . 2 2 25 25 GLU N N 15 118.058 . . 1 . . . . 625 GLU N . 17274 1 1281 . 2 2 26 26 ALA H H 1 8.837 . . 1 . . . . 626 ALA HN . 17274 1 1282 . 2 2 26 26 ALA HA H 1 3.930 . . 1 . . . . 626 ALA HA . 17274 1 1283 . 2 2 26 26 ALA CA C 13 55.533 . . 1 . . . . 626 ALA CA . 17274 1 1284 . 2 2 26 26 ALA CB C 13 18.578 . . 1 . . . . 626 ALA CB . 17274 1 1285 . 2 2 26 26 ALA N N 15 125.662 . . 1 . . . . 626 ALA N . 17274 1 1286 . 2 2 27 27 LYS H H 1 8.036 . . 1 . . . . 627 LYS HN . 17274 1 1287 . 2 2 27 27 LYS HA H 1 3.880 . . 1 . . . . 627 LYS HA . 17274 1 1288 . 2 2 27 27 LYS HB2 H 1 1.939 . . 2 . . . . 627 LYS HB1 . 17274 1 1289 . 2 2 27 27 LYS HB3 H 1 1.939 . . 2 . . . . 627 LYS HB2 . 17274 1 1290 . 2 2 27 27 LYS HD2 H 1 1.727 . . 2 . . . . 627 LYS HD1 . 17274 1 1291 . 2 2 27 27 LYS HD3 H 1 1.727 . . 2 . . . . 627 LYS HD2 . 17274 1 1292 . 2 2 27 27 LYS HG2 H 1 1.484 . . 2 . . . . 627 LYS HG1 . 17274 1 1293 . 2 2 27 27 LYS HG3 H 1 1.484 . . 2 . . . . 627 LYS HG2 . 17274 1 1294 . 2 2 27 27 LYS CA C 13 59.161 . . 1 . . . . 627 LYS CA . 17274 1 1295 . 2 2 27 27 LYS CB C 13 32.983 . . 1 . . . . 627 LYS CB . 17274 1 1296 . 2 2 27 27 LYS CD C 13 30.535 . . 1 . . . . 627 LYS CD . 17274 1 1297 . 2 2 27 27 LYS CE C 13 41.663 . . 1 . . . . 627 LYS CE . 17274 1 1298 . 2 2 27 27 LYS CG C 13 26.963 . . 1 . . . . 627 LYS CG . 17274 1 1299 . 2 2 27 27 LYS N N 15 113.329 . . 1 . . . . 627 LYS N . 17274 1 1300 . 2 2 28 28 GLY H H 1 7.541 . . 1 . . . . 628 GLY HN . 17274 1 1301 . 2 2 28 28 GLY CA C 13 45.161 . . 1 . . . . 628 GLY CA . 17274 1 1302 . 2 2 28 28 GLY N N 15 106.572 . . 1 . . . . 628 GLY N . 17274 1 1303 . 2 2 29 29 PHE H H 1 7.375 . . 1 . . . . 629 PHE HN . 17274 1 1304 . 2 2 29 29 PHE HA H 1 4.690 . . 1 . . . . 629 PHE HA . 17274 1 1305 . 2 2 29 29 PHE HB2 H 1 2.740 . . 2 . . . . 629 PHE HB1 . 17274 1 1306 . 2 2 29 29 PHE HB3 H 1 2.740 . . 2 . . . . 629 PHE HB2 . 17274 1 1307 . 2 2 29 29 PHE HD1 H 1 7.263 . . 2 . . . . 629 PHE HD1 . 17274 1 1308 . 2 2 29 29 PHE HD2 H 1 7.263 . . 2 . . . . 629 PHE HD2 . 17274 1 1309 . 2 2 29 29 PHE CA C 13 57.434 . . 1 . . . . 629 PHE CA . 17274 1 1310 . 2 2 29 29 PHE CB C 13 40.300 . . 1 . . . . 629 PHE CB . 17274 1 1311 . 2 2 29 29 PHE CD1 C 13 132.616 . . 2 . . . . 629 PHE CD1 . 17274 1 1312 . 2 2 29 29 PHE CD2 C 13 132.616 . . 2 . . . . 629 PHE CD2 . 17274 1 1313 . 2 2 29 29 PHE CE1 C 13 130.948 . . 2 . . . . 629 PHE CE1 . 17274 1 1314 . 2 2 29 29 PHE CE2 C 13 130.948 . . 2 . . . . 629 PHE CE2 . 17274 1 1315 . 2 2 29 29 PHE N N 15 120.541 . . 1 . . . . 629 PHE N . 17274 1 1316 . 2 2 30 30 THR H H 1 11.016 . . 1 . . . . 630 THR HN . 17274 1 1317 . 2 2 30 30 THR HA H 1 4.125 . . 1 . . . . 630 THR HA . 17274 1 1318 . 2 2 30 30 THR HB H 1 4.197 . . 1 . . . . 630 THR HB . 17274 1 1319 . 2 2 30 30 THR CA C 13 64.042 . . 1 . . . . 630 THR CA . 17274 1 1320 . 2 2 30 30 THR CB C 13 69.142 . . 1 . . . . 630 THR CB . 17274 1 1321 . 2 2 30 30 THR CG2 C 13 21.938 . . 1 . . . . 630 THR CG2 . 17274 1 1322 . 2 2 30 30 THR N N 15 119.649 . . 1 . . . . 630 THR N . 17274 1 1323 . 2 2 31 31 SER H H 1 9.196 . . 1 . . . . 631 SER HN . 17274 1 1324 . 2 2 31 31 SER HA H 1 4.379 . . 1 . . . . 631 SER HA . 17274 1 1325 . 2 2 31 31 SER HB2 H 1 3.493 . . 2 . . . . 631 SER HB1 . 17274 1 1326 . 2 2 31 31 SER HB3 H 1 3.168 . . 2 . . . . 631 SER HB2 . 17274 1 1327 . 2 2 31 31 SER CA C 13 61.356 . . 1 . . . . 631 SER CA . 17274 1 1328 . 2 2 31 31 SER CB C 13 65.564 . . 1 . . . . 631 SER CB . 17274 1 1329 . 2 2 31 31 SER N N 15 120.899 . . 1 . . . . 631 SER N . 17274 1 1330 . 2 2 32 32 GLU H H 1 7.870 . . 1 . . . . 632 GLU HN . 17274 1 1331 . 2 2 32 32 GLU HA H 1 4.402 . . 1 . . . . 632 GLU HA . 17274 1 1332 . 2 2 32 32 GLU HB2 H 1 2.029 . . 2 . . . . 632 GLU HB1 . 17274 1 1333 . 2 2 32 32 GLU HB3 H 1 2.029 . . 2 . . . . 632 GLU HB2 . 17274 1 1334 . 2 2 32 32 GLU HG2 H 1 2.333 . . 2 . . . . 632 GLU HG1 . 17274 1 1335 . 2 2 32 32 GLU HG3 H 1 2.231 . . 2 . . . . 632 GLU HG2 . 17274 1 1336 . 2 2 32 32 GLU CA C 13 56.062 . . 1 . . . . 632 GLU CA . 17274 1 1337 . 2 2 32 32 GLU CB C 13 30.160 . . 1 . . . . 632 GLU CB . 17274 1 1338 . 2 2 32 32 GLU CG C 13 36.110 . . 1 . . . . 632 GLU CG . 17274 1 1339 . 2 2 32 32 GLU N N 15 121.999 . . 1 . . . . 632 GLU N . 17274 1 1340 . 2 2 33 33 ILE H H 1 9.133 . . 1 . . . . 633 ILE HN . 17274 1 1341 . 2 2 33 33 ILE HA H 1 5.089 . . 1 . . . . 633 ILE HA . 17274 1 1342 . 2 2 33 33 ILE HB H 1 1.572 . . 1 . . . . 633 ILE HB . 17274 1 1343 . 2 2 33 33 ILE HD11 H 1 0.788 . . 2 . . . . 633 ILE HD1# . 17274 1 1344 . 2 2 33 33 ILE HD12 H 1 0.788 . . 2 . . . . 633 ILE HD1# . 17274 1 1345 . 2 2 33 33 ILE HD13 H 1 0.788 . . 2 . . . . 633 ILE HD1# . 17274 1 1346 . 2 2 33 33 ILE CA C 13 60.513 . . 1 . . . . 633 ILE CA . 17274 1 1347 . 2 2 33 33 ILE CB C 13 41.969 . . 1 . . . . 633 ILE CB . 17274 1 1348 . 2 2 33 33 ILE CD1 C 13 16.303 . . 1 . . . . 633 ILE CD1 . 17274 1 1349 . 2 2 33 33 ILE CG1 C 13 26.320 . . 1 . . . . 633 ILE CG1 . 17274 1 1350 . 2 2 33 33 ILE CG2 C 13 18.365 . . 1 . . . . 633 ILE CG2 . 17274 1 1351 . 2 2 33 33 ILE N N 15 129.906 . . 1 . . . . 633 ILE N . 17274 1 1352 . 2 2 34 34 THR H H 1 9.741 . . 1 . . . . 634 THR HN . 17274 1 1353 . 2 2 34 34 THR HA H 1 4.911 . . 1 . . . . 634 THR HA . 17274 1 1354 . 2 2 34 34 THR HB H 1 3.850 . . 1 . . . . 634 THR HB . 17274 1 1355 . 2 2 34 34 THR CA C 13 61.359 . . 1 . . . . 634 THR CA . 17274 1 1356 . 2 2 34 34 THR CB C 13 71.537 . . 1 . . . . 634 THR CB . 17274 1 1357 . 2 2 34 34 THR CG2 C 13 21.725 . . 1 . . . . 634 THR CG2 . 17274 1 1358 . 2 2 34 34 THR N N 15 125.969 . . 1 . . . . 634 THR N . 17274 1 1359 . 2 2 35 35 VAL H H 1 9.304 . . 1 . . . . 635 VAL HN . 17274 1 1360 . 2 2 35 35 VAL HA H 1 4.851 . . 1 . . . . 635 VAL HA . 17274 1 1361 . 2 2 35 35 VAL HB H 1 1.804 . . 1 . . . . 635 VAL HB . 17274 1 1362 . 2 2 35 35 VAL HG11 H 1 0.989 . . 2 . . . . 635 VAL HG1# . 17274 1 1363 . 2 2 35 35 VAL HG12 H 1 0.989 . . 2 . . . . 635 VAL HG1# . 17274 1 1364 . 2 2 35 35 VAL HG13 H 1 0.989 . . 2 . . . . 635 VAL HG1# . 17274 1 1365 . 2 2 35 35 VAL HG21 H 1 0.678 . . 2 . . . . 635 VAL HG2# . 17274 1 1366 . 2 2 35 35 VAL HG22 H 1 0.678 . . 2 . . . . 635 VAL HG2# . 17274 1 1367 . 2 2 35 35 VAL HG23 H 1 0.678 . . 2 . . . . 635 VAL HG2# . 17274 1 1368 . 2 2 35 35 VAL CA C 13 60.856 . . 1 . . . . 635 VAL CA . 17274 1 1369 . 2 2 35 35 VAL CB C 13 33.449 . . 1 . . . . 635 VAL CB . 17274 1 1370 . 2 2 35 35 VAL CG1 C 13 21.963 . . 2 . . . . 635 VAL CG1 . 17274 1 1371 . 2 2 35 35 VAL CG2 C 13 21.619 . . 2 . . . . 635 VAL CG2 . 17274 1 1372 . 2 2 35 35 VAL N N 15 126.978 . . 1 . . . . 635 VAL N . 17274 1 1373 . 2 2 36 36 THR H H 1 8.966 . . 1 . . . . 636 THR HN . 17274 1 1374 . 2 2 36 36 THR HA H 1 5.436 . . 1 . . . . 636 THR HA . 17274 1 1375 . 2 2 36 36 THR HB H 1 3.745 . . 1 . . . . 636 THR HB . 17274 1 1376 . 2 2 36 36 THR CA C 13 60.973 . . 1 . . . . 636 THR CA . 17274 1 1377 . 2 2 36 36 THR CB C 13 71.058 . . 1 . . . . 636 THR CB . 17274 1 1378 . 2 2 36 36 THR CG2 C 13 20.680 . . 1 . . . . 636 THR CG2 . 17274 1 1379 . 2 2 36 36 THR N N 15 123.085 . . 1 . . . . 636 THR N . 17274 1 1380 . 2 2 37 37 SER H H 1 9.168 . . 1 . . . . 637 SER HN . 17274 1 1381 . 2 2 37 37 SER HA H 1 4.747 . . 1 . . . . 637 SER HA . 17274 1 1382 . 2 2 37 37 SER HB2 H 1 3.634 . . 2 . . . . 637 SER HB1 . 17274 1 1383 . 2 2 37 37 SER HB3 H 1 3.634 . . 2 . . . . 637 SER HB2 . 17274 1 1384 . 2 2 37 37 SER CA C 13 56.628 . . 1 . . . . 637 SER CA . 17274 1 1385 . 2 2 37 37 SER CB C 13 65.239 . . 1 . . . . 637 SER CB . 17274 1 1386 . 2 2 37 37 SER N N 15 119.881 . . 1 . . . . 637 SER N . 17274 1 1387 . 2 2 38 38 ASN H H 1 9.919 . . 1 . . . . 638 ASN HN . 17274 1 1388 . 2 2 38 38 ASN HA H 1 4.368 . . 1 . . . . 638 ASN HA . 17274 1 1389 . 2 2 38 38 ASN HB2 H 1 2.788 . . 2 . . . . 638 ASN HB1 . 17274 1 1390 . 2 2 38 38 ASN HB3 H 1 3.063 . . 2 . . . . 638 ASN HB2 . 17274 1 1391 . 2 2 38 38 ASN CA C 13 54.262 . . 1 . . . . 638 ASN CA . 17274 1 1392 . 2 2 38 38 ASN CB C 13 37.810 . . 1 . . . . 638 ASN CB . 17274 1 1393 . 2 2 38 38 ASN N N 15 128.649 . . 1 . . . . 638 ASN N . 17274 1 1394 . 2 2 39 39 GLY H H 1 8.658 . . 1 . . . . 639 GLY HN . 17274 1 1395 . 2 2 39 39 GLY CA C 13 45.494 . . 1 . . . . 639 GLY CA . 17274 1 1396 . 2 2 39 39 GLY N N 15 103.969 . . 1 . . . . 639 GLY N . 17274 1 1397 . 2 2 40 40 LYS H H 1 7.963 . . 1 . . . . 640 LYS HN . 17274 1 1398 . 2 2 40 40 LYS HA H 1 4.643 . . 1 . . . . 640 LYS HA . 17274 1 1399 . 2 2 40 40 LYS HB2 H 1 1.839 . . 2 . . . . 640 LYS HB1 . 17274 1 1400 . 2 2 40 40 LYS HB3 H 1 1.839 . . 2 . . . . 640 LYS HB2 . 17274 1 1401 . 2 2 40 40 LYS HD2 H 1 1.737 . . 2 . . . . 640 LYS HD1 . 17274 1 1402 . 2 2 40 40 LYS HD3 H 1 1.737 . . 2 . . . . 640 LYS HD2 . 17274 1 1403 . 2 2 40 40 LYS HG2 H 1 1.490 . . 2 . . . . 640 LYS HG1 . 17274 1 1404 . 2 2 40 40 LYS HG3 H 1 1.384 . . 2 . . . . 640 LYS HG2 . 17274 1 1405 . 2 2 40 40 LYS CA C 13 55.020 . . 1 . . . . 640 LYS CA . 17274 1 1406 . 2 2 40 40 LYS CB C 13 35.207 . . 1 . . . . 640 LYS CB . 17274 1 1407 . 2 2 40 40 LYS CD C 13 29.262 . . 1 . . . . 640 LYS CD . 17274 1 1408 . 2 2 40 40 LYS CE C 13 42.191 . . 1 . . . . 640 LYS CE . 17274 1 1409 . 2 2 40 40 LYS CG C 13 24.972 . . 1 . . . . 640 LYS CG . 17274 1 1410 . 2 2 40 40 LYS N N 15 124.053 . . 1 . . . . 640 LYS N . 17274 1 1411 . 2 2 41 41 SER H H 1 8.505 . . 1 . . . . 641 SER HN . 17274 1 1412 . 2 2 41 41 SER HA H 1 5.791 . . 1 . . . . 641 SER HA . 17274 1 1413 . 2 2 41 41 SER HB2 H 1 3.605 . . 2 . . . . 641 SER HB1|HB2 . 17274 1 1414 . 2 2 41 41 SER HB3 H 1 3.489 . . 2 . . . . 641 SER HB2|HB1 . 17274 1 1415 . 2 2 41 41 SER CA C 13 57.009 . . 1 . . . . 641 SER CA . 17274 1 1416 . 2 2 41 41 SER CB C 13 66.620 . . 1 . . . . 641 SER CB . 17274 1 1417 . 2 2 41 41 SER N N 15 117.412 . . 1 . . . . 641 SER N . 17274 1 1418 . 2 2 42 42 ALA H H 1 9.161 . . 1 . . . . 642 ALA HN . 17274 1 1419 . 2 2 42 42 ALA HA H 1 4.559 . . 1 . . . . 642 ALA HA . 17274 1 1420 . 2 2 42 42 ALA CA C 13 51.170 . . 1 . . . . 642 ALA CA . 17274 1 1421 . 2 2 42 42 ALA CB C 13 23.722 . . 1 . . . . 642 ALA CB . 17274 1 1422 . 2 2 42 42 ALA N N 15 124.299 . . 1 . . . . 642 ALA N . 17274 1 1423 . 2 2 43 43 SER H H 1 8.219 . . 1 . . . . 643 SER HN . 17274 1 1424 . 2 2 43 43 SER HA H 1 4.789 . . 1 . . . . 643 SER HA . 17274 1 1425 . 2 2 43 43 SER HB2 H 1 4.096 . . 2 . . . . 643 SER HB1|HB2 . 17274 1 1426 . 2 2 43 43 SER HB3 H 1 3.677 . . 2 . . . . 643 SER HB2|HB1 . 17274 1 1427 . 2 2 43 43 SER CA C 13 57.203 . . 1 . . . . 643 SER CA . 17274 1 1428 . 2 2 43 43 SER CB C 13 64.046 . . 1 . . . . 643 SER CB . 17274 1 1429 . 2 2 43 43 SER N N 15 114.489 . . 1 . . . . 643 SER N . 17274 1 1430 . 2 2 44 44 ALA H H 1 8.415 . . 1 . . . . 644 ALA HN . 17274 1 1431 . 2 2 44 44 ALA HA H 1 4.189 . . 1 . . . . 644 ALA HA . 17274 1 1432 . 2 2 44 44 ALA CA C 13 52.658 . . 1 . . . . 644 ALA CA . 17274 1 1433 . 2 2 44 44 ALA CB C 13 20.200 . . 1 . . . . 644 ALA CB . 17274 1 1434 . 2 2 44 44 ALA N N 15 127.163 . . 1 . . . . 644 ALA N . 17274 1 1435 . 2 2 45 45 LYS H H 1 7.687 . . 1 . . . . 645 LYS HN . 17274 1 1436 . 2 2 45 45 LYS HA H 1 4.311 . . 1 . . . . 645 LYS HA . 17274 1 1437 . 2 2 45 45 LYS HB2 H 1 1.451 . . 2 . . . . 645 LYS HB1 . 17274 1 1438 . 2 2 45 45 LYS HB3 H 1 2.208 . . 2 . . . . 645 LYS HB2 . 17274 1 1439 . 2 2 45 45 LYS HD2 H 1 1.739 . . 2 . . . . 645 LYS HD1 . 17274 1 1440 . 2 2 45 45 LYS HD3 H 1 1.804 . . 2 . . . . 645 LYS HD2 . 17274 1 1441 . 2 2 45 45 LYS HG2 H 1 0.864 . . 2 . . . . 645 LYS HG1 . 17274 1 1442 . 2 2 45 45 LYS CA C 13 55.802 . . 1 . . . . 645 LYS CA . 17274 1 1443 . 2 2 45 45 LYS CB C 13 33.148 . . 1 . . . . 645 LYS CB . 17274 1 1444 . 2 2 45 45 LYS CD C 13 30.199 . . 1 . . . . 645 LYS CD . 17274 1 1445 . 2 2 45 45 LYS CE C 13 42.150 . . 1 . . . . 645 LYS CE . 17274 1 1446 . 2 2 45 45 LYS CG C 13 27.047 . . 1 . . . . 645 LYS CG . 17274 1 1447 . 2 2 45 45 LYS N N 15 108.619 . . 1 . . . . 645 LYS N . 17274 1 1448 . 2 2 46 46 SER H H 1 7.188 . . 1 . . . . 646 SER HN . 17274 1 1449 . 2 2 46 46 SER HA H 1 5.110 . . 1 . . . . 646 SER HA . 17274 1 1450 . 2 2 46 46 SER HB2 H 1 3.867 . . 2 . . . . 646 SER HB1 . 17274 1 1451 . 2 2 46 46 SER HB3 H 1 3.867 . . 2 . . . . 646 SER HB2 . 17274 1 1452 . 2 2 46 46 SER CA C 13 55.051 . . 1 . . . . 646 SER CA . 17274 1 1453 . 2 2 46 46 SER CB C 13 64.795 . . 1 . . . . 646 SER CB . 17274 1 1454 . 2 2 46 46 SER N N 15 114.697 . . 1 . . . . 646 SER N . 17274 1 1455 . 2 2 47 47 LEU H H 1 8.980 . . 1 . . . . 647 LEU HN . 17274 1 1456 . 2 2 47 47 LEU HA H 1 4.020 . . 1 . . . . 647 LEU HA . 17274 1 1457 . 2 2 47 47 LEU HB2 H 1 1.841 . . 2 . . . . 647 LEU HB1 . 17274 1 1458 . 2 2 47 47 LEU HB3 H 1 1.841 . . 2 . . . . 647 LEU HB2 . 17274 1 1459 . 2 2 47 47 LEU HD11 H 1 0.832 . . 2 . . . . 647 LEU HD1# . 17274 1 1460 . 2 2 47 47 LEU HD12 H 1 0.832 . . 2 . . . . 647 LEU HD1# . 17274 1 1461 . 2 2 47 47 LEU HD13 H 1 0.832 . . 2 . . . . 647 LEU HD1# . 17274 1 1462 . 2 2 47 47 LEU HD21 H 1 0.828 . . 2 . . . . 647 LEU HD2# . 17274 1 1463 . 2 2 47 47 LEU HD22 H 1 0.828 . . 2 . . . . 647 LEU HD2# . 17274 1 1464 . 2 2 47 47 LEU HD23 H 1 0.828 . . 2 . . . . 647 LEU HD2# . 17274 1 1465 . 2 2 47 47 LEU HG H 1 1.475 . . 1 . . . . 647 LEU HG . 17274 1 1466 . 2 2 47 47 LEU CA C 13 55.832 . . 1 . . . . 647 LEU CA . 17274 1 1467 . 2 2 47 47 LEU CB C 13 42.283 . . 1 . . . . 647 LEU CB . 17274 1 1468 . 2 2 47 47 LEU CD1 C 13 25.959 . . 2 . . . . 647 LEU CD1 . 17274 1 1469 . 2 2 47 47 LEU CD2 C 13 23.299 . . 2 . . . . 647 LEU CD2 . 17274 1 1470 . 2 2 47 47 LEU CG C 13 29.384 . . 1 . . . . 647 LEU CG . 17274 1 1471 . 2 2 47 47 LEU N N 15 131.759 . . 1 . . . . 647 LEU N . 17274 1 1472 . 2 2 48 48 PHE H H 1 8.385 . . 1 . . . . 648 PHE HN . 17274 1 1473 . 2 2 48 48 PHE HA H 1 4.104 . . 1 . . . . 648 PHE HA . 17274 1 1474 . 2 2 48 48 PHE HB2 H 1 2.897 . . 2 . . . . 648 PHE HB1 . 17274 1 1475 . 2 2 48 48 PHE HB3 H 1 2.983 . . 2 . . . . 648 PHE HB2 . 17274 1 1476 . 2 2 48 48 PHE HD1 H 1 7.040 . . 2 . . . . 648 PHE HD1 . 17274 1 1477 . 2 2 48 48 PHE HD2 H 1 7.040 . . 2 . . . . 648 PHE HD2 . 17274 1 1478 . 2 2 48 48 PHE CA C 13 60.981 . . 1 . . . . 648 PHE CA . 17274 1 1479 . 2 2 48 48 PHE CB C 13 39.005 . . 1 . . . . 648 PHE CB . 17274 1 1480 . 2 2 48 48 PHE CD1 C 13 131.963 . . 2 . . . . 648 PHE CD1 . 17274 1 1481 . 2 2 48 48 PHE CD2 C 13 131.963 . . 2 . . . . 648 PHE CD2 . 17274 1 1482 . 2 2 48 48 PHE N N 15 116.329 . . 1 . . . . 648 PHE N . 17274 1 1483 . 2 2 49 49 LYS H H 1 7.833 . . 1 . . . . 649 LYS HN . 17274 1 1484 . 2 2 49 49 LYS HA H 1 4.246 . . 1 . . . . 649 LYS HA . 17274 1 1485 . 2 2 49 49 LYS HB2 H 1 1.953 . . 2 . . . . 649 LYS HB1 . 17274 1 1486 . 2 2 49 49 LYS HB3 H 1 1.953 . . 2 . . . . 649 LYS HB2 . 17274 1 1487 . 2 2 49 49 LYS HD2 H 1 1.696 . . 2 . . . . 649 LYS HD1 . 17274 1 1488 . 2 2 49 49 LYS HD3 H 1 1.827 . . 2 . . . . 649 LYS HD2 . 17274 1 1489 . 2 2 49 49 LYS HG2 H 1 1.552 . . 2 . . . . 649 LYS HG1 . 17274 1 1490 . 2 2 49 49 LYS HG3 H 1 1.552 . . 2 . . . . 649 LYS HG2 . 17274 1 1491 . 2 2 49 49 LYS CA C 13 57.658 . . 1 . . . . 649 LYS CA . 17274 1 1492 . 2 2 49 49 LYS CB C 13 31.969 . . 1 . . . . 649 LYS CB . 17274 1 1493 . 2 2 49 49 LYS CD C 13 28.447 . . 1 . . . . 649 LYS CD . 17274 1 1494 . 2 2 49 49 LYS CE C 13 42.317 . . 1 . . . . 649 LYS CE . 17274 1 1495 . 2 2 49 49 LYS CG C 13 25.017 . . 1 . . . . 649 LYS CG . 17274 1 1496 . 2 2 49 49 LYS N N 15 117.450 . . 1 . . . . 649 LYS N . 17274 1 1497 . 2 2 50 50 LEU H H 1 8.670 . . 1 . . . . 650 LEU HN . 17274 1 1498 . 2 2 50 50 LEU HA H 1 3.736 . . 1 . . . . 650 LEU HA . 17274 1 1499 . 2 2 50 50 LEU HB2 H 1 1.858 . . 2 . . . . 650 LEU HB1 . 17274 1 1500 . 2 2 50 50 LEU HB3 H 1 1.559 . . 2 . . . . 650 LEU HB2 . 17274 1 1501 . 2 2 50 50 LEU HD11 H 1 0.771 . . 2 . . . . 650 LEU HD1# . 17274 1 1502 . 2 2 50 50 LEU HD12 H 1 0.771 . . 2 . . . . 650 LEU HD1# . 17274 1 1503 . 2 2 50 50 LEU HD13 H 1 0.771 . . 2 . . . . 650 LEU HD1# . 17274 1 1504 . 2 2 50 50 LEU HD21 H 1 0.773 . . 2 . . . . 650 LEU HD2# . 17274 1 1505 . 2 2 50 50 LEU HD22 H 1 0.773 . . 2 . . . . 650 LEU HD2# . 17274 1 1506 . 2 2 50 50 LEU HD23 H 1 0.773 . . 2 . . . . 650 LEU HD2# . 17274 1 1507 . 2 2 50 50 LEU HG H 1 1.665 . . 1 . . . . 650 LEU HG . 17274 1 1508 . 2 2 50 50 LEU CA C 13 58.666 . . 1 . . . . 650 LEU CA . 17274 1 1509 . 2 2 50 50 LEU CB C 13 42.628 . . 1 . . . . 650 LEU CB . 17274 1 1510 . 2 2 50 50 LEU CD1 C 13 26.764 . . 2 . . . . 650 LEU CD1 . 17274 1 1511 . 2 2 50 50 LEU CD2 C 13 24.536 . . 2 . . . . 650 LEU CD2 . 17274 1 1512 . 2 2 50 50 LEU CG C 13 26.897 . . 1 . . . . 650 LEU CG . 17274 1 1513 . 2 2 50 50 LEU N N 15 125.234 . . 1 . . . . 650 LEU N . 17274 1 1514 . 2 2 51 51 GLN H H 1 7.867 . . 1 . . . . 651 GLN HN . 17274 1 1515 . 2 2 51 51 GLN HA H 1 4.099 . . 1 . . . . 651 GLN HA . 17274 1 1516 . 2 2 51 51 GLN HB2 H 1 2.083 . . 2 . . . . 651 GLN HB1 . 17274 1 1517 . 2 2 51 51 GLN HB3 H 1 2.083 . . 2 . . . . 651 GLN HB2 . 17274 1 1518 . 2 2 51 51 GLN HG2 H 1 2.352 . . 2 . . . . 651 GLN HG1 . 17274 1 1519 . 2 2 51 51 GLN HG3 H 1 2.352 . . 2 . . . . 651 GLN HG2 . 17274 1 1520 . 2 2 51 51 GLN CA C 13 58.238 . . 1 . . . . 651 GLN CA . 17274 1 1521 . 2 2 51 51 GLN CB C 13 28.978 . . 1 . . . . 651 GLN CB . 17274 1 1522 . 2 2 51 51 GLN CG C 13 34.511 . . 1 . . . . 651 GLN CG . 17274 1 1523 . 2 2 51 51 GLN N N 15 112.289 . . 1 . . . . 651 GLN N . 17274 1 1524 . 2 2 52 52 THR H H 1 7.570 . . 1 . . . . 652 THR HN . 17274 1 1525 . 2 2 52 52 THR CA C 13 63.555 . . 1 . . . . 652 THR CA . 17274 1 1526 . 2 2 52 52 THR CB C 13 70.209 . . 1 . . . . 652 THR CB . 17274 1 1527 . 2 2 52 52 THR CG2 C 13 21.494 . . 1 . . . . 652 THR CG2 . 17274 1 1528 . 2 2 52 52 THR N N 15 110.209 . . 1 . . . . 652 THR N . 17274 1 1529 . 2 2 53 53 LEU H H 1 7.516 . . 1 . . . . 653 LEU HN . 17274 1 1530 . 2 2 53 53 LEU HA H 1 4.220 . . 1 . . . . 653 LEU HA . 17274 1 1531 . 2 2 53 53 LEU HB2 H 1 1.317 . . 2 . . . . 653 LEU HB1 . 17274 1 1532 . 2 2 53 53 LEU HB3 H 1 1.850 . . 2 . . . . 653 LEU HB2 . 17274 1 1533 . 2 2 53 53 LEU HD11 H 1 0.784 . . 2 . . . . 653 LEU HD1# . 17274 1 1534 . 2 2 53 53 LEU HD12 H 1 0.784 . . 2 . . . . 653 LEU HD1# . 17274 1 1535 . 2 2 53 53 LEU HD13 H 1 0.784 . . 2 . . . . 653 LEU HD1# . 17274 1 1536 . 2 2 53 53 LEU HD21 H 1 0.655 . . 2 . . . . 653 LEU HD2# . 17274 1 1537 . 2 2 53 53 LEU HD22 H 1 0.655 . . 2 . . . . 653 LEU HD2# . 17274 1 1538 . 2 2 53 53 LEU HD23 H 1 0.655 . . 2 . . . . 653 LEU HD2# . 17274 1 1539 . 2 2 53 53 LEU HG H 1 1.730 . . 1 . . . . 653 LEU HG . 17274 1 1540 . 2 2 53 53 LEU CA C 13 55.049 . . 1 . . . . 653 LEU CA . 17274 1 1541 . 2 2 53 53 LEU CB C 13 42.437 . . 1 . . . . 653 LEU CB . 17274 1 1542 . 2 2 53 53 LEU CD1 C 13 26.257 . . 2 . . . . 653 LEU CD1 . 17274 1 1543 . 2 2 53 53 LEU CD2 C 13 22.607 . . 2 . . . . 653 LEU CD2 . 17274 1 1544 . 2 2 53 53 LEU CG C 13 27.014 . . 1 . . . . 653 LEU CG . 17274 1 1545 . 2 2 53 53 LEU N N 15 121.706 . . 1 . . . . 653 LEU N . 17274 1 1546 . 2 2 54 54 GLY H H 1 8.492 . . 1 . . . . 654 GLY HN . 17274 1 1547 . 2 2 54 54 GLY CA C 13 46.778 . . 1 . . . . 654 GLY CA . 17274 1 1548 . 2 2 54 54 GLY N N 15 108.885 . . 1 . . . . 654 GLY N . 17274 1 1549 . 2 2 55 55 LEU H H 1 8.504 . . 1 . . . . 655 LEU HN . 17274 1 1550 . 2 2 55 55 LEU HA H 1 4.289 . . 1 . . . . 655 LEU HA . 17274 1 1551 . 2 2 55 55 LEU HB2 H 1 1.337 . . 2 . . . . 655 LEU HB1 . 17274 1 1552 . 2 2 55 55 LEU HB3 H 1 1.676 . . 2 . . . . 655 LEU HB2 . 17274 1 1553 . 2 2 55 55 LEU HD11 H 1 0.779 . . 2 . . . . 655 LEU HD1# . 17274 1 1554 . 2 2 55 55 LEU HD12 H 1 0.779 . . 2 . . . . 655 LEU HD1# . 17274 1 1555 . 2 2 55 55 LEU HD13 H 1 0.779 . . 2 . . . . 655 LEU HD1# . 17274 1 1556 . 2 2 55 55 LEU HD21 H 1 0.653 . . 2 . . . . 655 LEU HD2# . 17274 1 1557 . 2 2 55 55 LEU HD22 H 1 0.653 . . 2 . . . . 655 LEU HD2# . 17274 1 1558 . 2 2 55 55 LEU HD23 H 1 0.653 . . 2 . . . . 655 LEU HD2# . 17274 1 1559 . 2 2 55 55 LEU HG H 1 1.445 . . 1 . . . . 655 LEU HG . 17274 1 1560 . 2 2 55 55 LEU CA C 13 53.624 . . 1 . . . . 655 LEU CA . 17274 1 1561 . 2 2 55 55 LEU CB C 13 41.233 . . 1 . . . . 655 LEU CB . 17274 1 1562 . 2 2 55 55 LEU CD1 C 13 26.246 . . 2 . . . . 655 LEU CD1 . 17274 1 1563 . 2 2 55 55 LEU CD2 C 13 23.110 . . 2 . . . . 655 LEU CD2 . 17274 1 1564 . 2 2 55 55 LEU CG C 13 25.899 . . 1 . . . . 655 LEU CG . 17274 1 1565 . 2 2 55 55 LEU N N 15 127.042 . . 1 . . . . 655 LEU N . 17274 1 1566 . 2 2 56 56 THR H H 1 7.201 . . 1 . . . . 656 THR HN . 17274 1 1567 . 2 2 56 56 THR HA H 1 4.220 . . 1 . . . . 656 THR HA . 17274 1 1568 . 2 2 56 56 THR HB H 1 4.336 . . 1 . . . . 656 THR HB . 17274 1 1569 . 2 2 56 56 THR CA C 13 60.623 . . 1 . . . . 656 THR CA . 17274 1 1570 . 2 2 56 56 THR CB C 13 70.600 . . 1 . . . . 656 THR CB . 17274 1 1571 . 2 2 56 56 THR CG2 C 13 22.483 . . 1 . . . . 656 THR CG2 . 17274 1 1572 . 2 2 56 56 THR N N 15 110.927 . . 1 . . . . 656 THR N . 17274 1 1573 . 2 2 57 57 GLN H H 1 8.957 . . 1 . . . . 657 GLN HN . 17274 1 1574 . 2 2 57 57 GLN HA H 1 3.619 . . 1 . . . . 657 GLN HA . 17274 1 1575 . 2 2 57 57 GLN HB2 H 1 1.952 . . 2 . . . . 657 GLN HB1 . 17274 1 1576 . 2 2 57 57 GLN HB3 H 1 2.120 . . 2 . . . . 657 GLN HB2 . 17274 1 1577 . 2 2 57 57 GLN HG2 H 1 2.125 . . 2 . . . . 657 GLN HG1 . 17274 1 1578 . 2 2 57 57 GLN HG3 H 1 2.125 . . 2 . . . . 657 GLN HG2 . 17274 1 1579 . 2 2 57 57 GLN CA C 13 58.575 . . 1 . . . . 657 GLN CA . 17274 1 1580 . 2 2 57 57 GLN CB C 13 27.945 . . 1 . . . . 657 GLN CB . 17274 1 1581 . 2 2 57 57 GLN CG C 13 33.958 . . 1 . . . . 657 GLN CG . 17274 1 1582 . 2 2 57 57 GLN N N 15 123.061 . . 1 . . . . 657 GLN N . 17274 1 1583 . 2 2 58 58 GLY H H 1 9.321 . . 1 . . . . 658 GLY HN . 17274 1 1584 . 2 2 58 58 GLY CA C 13 44.650 . . 1 . . . . 658 GLY CA . 17274 1 1585 . 2 2 58 58 GLY N N 15 116.728 . . 1 . . . . 658 GLY N . 17274 1 1586 . 2 2 59 59 THR H H 1 7.904 . . 1 . . . . 659 THR HN . 17274 1 1587 . 2 2 59 59 THR HA H 1 4.007 . . 1 . . . . 659 THR HA . 17274 1 1588 . 2 2 59 59 THR HB H 1 4.038 . . 1 . . . . 659 THR HB . 17274 1 1589 . 2 2 59 59 THR CA C 13 64.372 . . 1 . . . . 659 THR CA . 17274 1 1590 . 2 2 59 59 THR CB C 13 69.436 . . 1 . . . . 659 THR CB . 17274 1 1591 . 2 2 59 59 THR CG2 C 13 21.998 . . 1 . . . . 659 THR CG2 . 17274 1 1592 . 2 2 59 59 THR N N 15 119.525 . . 1 . . . . 659 THR N . 17274 1 1593 . 2 2 60 60 VAL H H 1 8.679 . . 1 . . . . 660 VAL HN . 17274 1 1594 . 2 2 60 60 VAL HA H 1 4.441 . . 1 . . . . 660 VAL HA . 17274 1 1595 . 2 2 60 60 VAL HB H 1 1.915 . . 1 . . . . 660 VAL HB . 17274 1 1596 . 2 2 60 60 VAL HG11 H 1 0.986 . . 2 . . . . 660 VAL HG1# . 17274 1 1597 . 2 2 60 60 VAL HG12 H 1 0.986 . . 2 . . . . 660 VAL HG1# . 17274 1 1598 . 2 2 60 60 VAL HG13 H 1 0.986 . . 2 . . . . 660 VAL HG1# . 17274 1 1599 . 2 2 60 60 VAL HG21 H 1 0.763 . . 2 . . . . 660 VAL HG2# . 17274 1 1600 . 2 2 60 60 VAL HG22 H 1 0.763 . . 2 . . . . 660 VAL HG2# . 17274 1 1601 . 2 2 60 60 VAL HG23 H 1 0.763 . . 2 . . . . 660 VAL HG2# . 17274 1 1602 . 2 2 60 60 VAL CA C 13 62.348 . . 1 . . . . 660 VAL CA . 17274 1 1603 . 2 2 60 60 VAL CB C 13 31.958 . . 1 . . . . 660 VAL CB . 17274 1 1604 . 2 2 60 60 VAL CG1 C 13 21.069 . . 2 . . . . 660 VAL CG1 . 17274 1 1605 . 2 2 60 60 VAL CG2 C 13 21.228 . . 2 . . . . 660 VAL CG2 . 17274 1 1606 . 2 2 60 60 VAL N N 15 128.880 . . 1 . . . . 660 VAL N . 17274 1 1607 . 2 2 61 61 VAL H H 1 9.272 . . 1 . . . . 661 VAL HN . 17274 1 1608 . 2 2 61 61 VAL HA H 1 5.050 . . 1 . . . . 661 VAL HA . 17274 1 1609 . 2 2 61 61 VAL HB H 1 1.999 . . 1 . . . . 661 VAL HB . 17274 1 1610 . 2 2 61 61 VAL HG11 H 1 0.781 . . 2 . . . . 661 VAL HG1# . 17274 1 1611 . 2 2 61 61 VAL HG12 H 1 0.781 . . 2 . . . . 661 VAL HG1# . 17274 1 1612 . 2 2 61 61 VAL HG13 H 1 0.781 . . 2 . . . . 661 VAL HG1# . 17274 1 1613 . 2 2 61 61 VAL HG21 H 1 0.744 . . 2 . . . . 661 VAL HG2# . 17274 1 1614 . 2 2 61 61 VAL HG22 H 1 0.744 . . 2 . . . . 661 VAL HG2# . 17274 1 1615 . 2 2 61 61 VAL HG23 H 1 0.744 . . 2 . . . . 661 VAL HG2# . 17274 1 1616 . 2 2 61 61 VAL CA C 13 58.716 . . 1 . . . . 661 VAL CA . 17274 1 1617 . 2 2 61 61 VAL CB C 13 34.378 . . 1 . . . . 661 VAL CB . 17274 1 1618 . 2 2 61 61 VAL CG1 C 13 22.877 . . 2 . . . . 661 VAL CG1 . 17274 1 1619 . 2 2 61 61 VAL CG2 C 13 20.514 . . 2 . . . . 661 VAL CG2 . 17274 1 1620 . 2 2 61 61 VAL N N 15 125.778 . . 1 . . . . 661 VAL N . 17274 1 1621 . 2 2 62 62 THR H H 1 8.869 . . 1 . . . . 662 THR HN . 17274 1 1622 . 2 2 62 62 THR HA H 1 4.816 . . 1 . . . . 662 THR HA . 17274 1 1623 . 2 2 62 62 THR HB H 1 3.811 . . 1 . . . . 662 THR HB . 17274 1 1624 . 2 2 62 62 THR CA C 13 62.507 . . 1 . . . . 662 THR CA . 17274 1 1625 . 2 2 62 62 THR CB C 13 70.097 . . 1 . . . . 662 THR CB . 17274 1 1626 . 2 2 62 62 THR CG2 C 13 21.791 . . 1 . . . . 662 THR CG2 . 17274 1 1627 . 2 2 62 62 THR N N 15 118.467 . . 1 . . . . 662 THR N . 17274 1 1628 . 2 2 63 63 ILE H H 1 9.035 . . 1 . . . . 663 ILE HN . 17274 1 1629 . 2 2 63 63 ILE HA H 1 4.801 . . 1 . . . . 663 ILE HA . 17274 1 1630 . 2 2 63 63 ILE HB H 1 1.826 . . 1 . . . . 663 ILE HB . 17274 1 1631 . 2 2 63 63 ILE HD11 H 1 0.928 . . 2 . . . . 663 ILE HD1# . 17274 1 1632 . 2 2 63 63 ILE HD12 H 1 0.928 . . 2 . . . . 663 ILE HD1# . 17274 1 1633 . 2 2 63 63 ILE HD13 H 1 0.928 . . 2 . . . . 663 ILE HD1# . 17274 1 1634 . 2 2 63 63 ILE CA C 13 60.684 . . 1 . . . . 663 ILE CA . 17274 1 1635 . 2 2 63 63 ILE CB C 13 38.474 . . 1 . . . . 663 ILE CB . 17274 1 1636 . 2 2 63 63 ILE CD1 C 13 13.891 . . 1 . . . . 663 ILE CD1 . 17274 1 1637 . 2 2 63 63 ILE CG1 C 13 31.093 . . 1 . . . . 663 ILE CG1 . 17274 1 1638 . 2 2 63 63 ILE CG2 C 13 18.036 . . 1 . . . . 663 ILE CG2 . 17274 1 1639 . 2 2 63 63 ILE N N 15 129.932 . . 1 . . . . 663 ILE N . 17274 1 1640 . 2 2 64 64 SER H H 1 9.103 . . 1 . . . . 664 SER HN . 17274 1 1641 . 2 2 64 64 SER HA H 1 5.572 . . 1 . . . . 664 SER HA . 17274 1 1642 . 2 2 64 64 SER HB2 H 1 3.666 . . 2 . . . . 664 SER HB1 . 17274 1 1643 . 2 2 64 64 SER HB3 H 1 3.666 . . 2 . . . . 664 SER HB2 . 17274 1 1644 . 2 2 64 64 SER CA C 13 56.005 . . 1 . . . . 664 SER CA . 17274 1 1645 . 2 2 64 64 SER CB C 13 65.960 . . 1 . . . . 664 SER CB . 17274 1 1646 . 2 2 64 64 SER N N 15 121.847 . . 1 . . . . 664 SER N . 17274 1 1647 . 2 2 65 65 ALA H H 1 9.213 . . 1 . . . . 665 ALA HN . 17274 1 1648 . 2 2 65 65 ALA HA H 1 5.640 . . 1 . . . . 665 ALA HA . 17274 1 1649 . 2 2 65 65 ALA CA C 13 50.244 . . 1 . . . . 665 ALA CA . 17274 1 1650 . 2 2 65 65 ALA CB C 13 25.272 . . 1 . . . . 665 ALA CB . 17274 1 1651 . 2 2 65 65 ALA N N 15 124.759 . . 1 . . . . 665 ALA N . 17274 1 1652 . 2 2 66 66 GLU H H 1 8.348 . . 1 . . . . 666 GLU HN . 17274 1 1653 . 2 2 66 66 GLU HA H 1 5.331 . . 1 . . . . 666 GLU HA . 17274 1 1654 . 2 2 66 66 GLU HB2 H 1 1.914 . . 2 . . . . 666 GLU HB1 . 17274 1 1655 . 2 2 66 66 GLU HB3 H 1 1.982 . . 2 . . . . 666 GLU HB2 . 17274 1 1656 . 2 2 66 66 GLU HG2 H 1 2.162 . . 2 . . . . 666 GLU HG1 . 17274 1 1657 . 2 2 66 66 GLU HG3 H 1 2.102 . . 2 . . . . 666 GLU HG2 . 17274 1 1658 . 2 2 66 66 GLU CA C 13 54.244 . . 1 . . . . 666 GLU CA . 17274 1 1659 . 2 2 66 66 GLU CB C 13 33.530 . . 1 . . . . 666 GLU CB . 17274 1 1660 . 2 2 66 66 GLU CG C 13 36.845 . . 1 . . . . 666 GLU CG . 17274 1 1661 . 2 2 66 66 GLU N N 15 119.604 . . 1 . . . . 666 GLU N . 17274 1 1662 . 2 2 67 67 GLY H H 1 10.228 . . 1 . . . . 667 GLY HN . 17274 1 1663 . 2 2 67 67 GLY CA C 13 45.217 . . 1 . . . . 667 GLY CA . 17274 1 1664 . 2 2 67 67 GLY N N 15 119.409 . . 1 . . . . 667 GLY N . 17274 1 1665 . 2 2 68 68 GLU H H 1 9.057 . . 1 . . . . 668 GLU HN . 17274 1 1666 . 2 2 68 68 GLU HA H 1 4.000 . . 1 . . . . 668 GLU HA . 17274 1 1667 . 2 2 68 68 GLU HB2 H 1 1.975 . . 2 . . . . 668 GLU HB1 . 17274 1 1668 . 2 2 68 68 GLU HB3 H 1 1.975 . . 2 . . . . 668 GLU HB2 . 17274 1 1669 . 2 2 68 68 GLU HG2 H 1 2.262 . . 2 . . . . 668 GLU HG1 . 17274 1 1670 . 2 2 68 68 GLU HG3 H 1 2.262 . . 2 . . . . 668 GLU HG2 . 17274 1 1671 . 2 2 68 68 GLU CA C 13 59.379 . . 1 . . . . 668 GLU CA . 17274 1 1672 . 2 2 68 68 GLU CB C 13 29.036 . . 1 . . . . 668 GLU CB . 17274 1 1673 . 2 2 68 68 GLU CG C 13 36.083 . . 1 . . . . 668 GLU CG . 17274 1 1674 . 2 2 68 68 GLU N N 15 119.517 . . 1 . . . . 668 GLU N . 17274 1 1675 . 2 2 69 69 ASP H H 1 7.227 . . 1 . . . . 669 ASP HN . 17274 1 1676 . 2 2 69 69 ASP HA H 1 4.890 . . 1 . . . . 669 ASP HA . 17274 1 1677 . 2 2 69 69 ASP HB2 H 1 2.630 . . 2 . . . . 669 ASP HB1 . 17274 1 1678 . 2 2 69 69 ASP HB3 H 1 3.285 . . 2 . . . . 669 ASP HB2 . 17274 1 1679 . 2 2 69 69 ASP CA C 13 50.965 . . 1 . . . . 669 ASP CA . 17274 1 1680 . 2 2 69 69 ASP CB C 13 39.826 . . 1 . . . . 669 ASP CB . 17274 1 1681 . 2 2 69 69 ASP N N 15 114.836 . . 1 . . . . 669 ASP N . 17274 1 1682 . 2 2 70 70 GLU H H 1 6.863 . . 1 . . . . 670 GLU HN . 17274 1 1683 . 2 2 70 70 GLU HA H 1 3.755 . . 1 . . . . 670 GLU HA . 17274 1 1684 . 2 2 70 70 GLU HB2 H 1 2.718 . . 2 . . . . 670 GLU HB1 . 17274 1 1685 . 2 2 70 70 GLU HB3 H 1 2.718 . . 2 . . . . 670 GLU HB2 . 17274 1 1686 . 2 2 70 70 GLU HG2 H 1 2.092 . . 2 . . . . 670 GLU HG1 . 17274 1 1687 . 2 2 70 70 GLU HG3 H 1 2.718 . . 2 . . . . 670 GLU HG2 . 17274 1 1688 . 2 2 70 70 GLU CA C 13 59.791 . . 1 . . . . 670 GLU CA . 17274 1 1689 . 2 2 70 70 GLU CB C 13 28.039 . . 1 . . . . 670 GLU CB . 17274 1 1690 . 2 2 70 70 GLU CG C 13 34.653 . . 1 . . . . 670 GLU CG . 17274 1 1691 . 2 2 70 70 GLU N N 15 117.029 . . 1 . . . . 670 GLU N . 17274 1 1692 . 2 2 71 71 GLN H H 1 7.736 . . 1 . . . . 671 GLN HN . 17274 1 1693 . 2 2 71 71 GLN HA H 1 3.245 . . 1 . . . . 671 GLN HA . 17274 1 1694 . 2 2 71 71 GLN HB2 H 1 1.387 . . 2 . . . . 671 GLN HB1 . 17274 1 1695 . 2 2 71 71 GLN HB3 H 1 1.489 . . 2 . . . . 671 GLN HB2 . 17274 1 1696 . 2 2 71 71 GLN HG2 H 1 1.046 . . 2 . . . . 671 GLN HG1 . 17274 1 1697 . 2 2 71 71 GLN HG3 H 1 1.046 . . 2 . . . . 671 GLN HG2 . 17274 1 1698 . 2 2 71 71 GLN CA C 13 58.795 . . 1 . . . . 671 GLN CA . 17274 1 1699 . 2 2 71 71 GLN CB C 13 26.887 . . 1 . . . . 671 GLN CB . 17274 1 1700 . 2 2 71 71 GLN CG C 13 32.327 . . 1 . . . . 671 GLN CG . 17274 1 1701 . 2 2 71 71 GLN N N 15 120.392 . . 1 . . . . 671 GLN N . 17274 1 1702 . 2 2 72 72 LYS H H 1 7.551 . . 1 . . . . 672 LYS HN . 17274 1 1703 . 2 2 72 72 LYS HA H 1 3.842 . . 1 . . . . 672 LYS HA . 17274 1 1704 . 2 2 72 72 LYS HB2 H 1 1.758 . . 2 . . . . 672 LYS HB1 . 17274 1 1705 . 2 2 72 72 LYS HB3 H 1 1.793 . . 2 . . . . 672 LYS HB2 . 17274 1 1706 . 2 2 72 72 LYS HD2 H 1 1.739 . . 2 . . . . 672 LYS HD1 . 17274 1 1707 . 2 2 72 72 LYS HD3 H 1 1.739 . . 2 . . . . 672 LYS HD2 . 17274 1 1708 . 2 2 72 72 LYS HG2 H 1 1.424 . . 2 . . . . 672 LYS HG1 . 17274 1 1709 . 2 2 72 72 LYS HG3 H 1 1.506 . . 2 . . . . 672 LYS HG2 . 17274 1 1710 . 2 2 72 72 LYS CA C 13 58.510 . . 1 . . . . 672 LYS CA . 17274 1 1711 . 2 2 72 72 LYS CB C 13 32.332 . . 1 . . . . 672 LYS CB . 17274 1 1712 . 2 2 72 72 LYS CD C 13 29.200 . . 1 . . . . 672 LYS CD . 17274 1 1713 . 2 2 72 72 LYS CE C 13 42.264 . . 1 . . . . 672 LYS CE . 17274 1 1714 . 2 2 72 72 LYS CG C 13 25.070 . . 1 . . . . 672 LYS CG . 17274 1 1715 . 2 2 72 72 LYS N N 15 119.582 . . 1 . . . . 672 LYS N . 17274 1 1716 . 2 2 73 73 ALA H H 1 8.369 . . 1 . . . . 673 ALA HN . 17274 1 1717 . 2 2 73 73 ALA CA C 13 53.886 . . 1 . . . . 673 ALA CA . 17274 1 1718 . 2 2 73 73 ALA CB C 13 18.456 . . 1 . . . . 673 ALA CB . 17274 1 1719 . 2 2 73 73 ALA N N 15 121.561 . . 1 . . . . 673 ALA N . 17274 1 1720 . 2 2 74 74 VAL H H 1 7.247 . . 1 . . . . 674 VAL HN . 17274 1 1721 . 2 2 74 74 VAL HA H 1 3.231 . . 1 . . . . 674 VAL HA . 17274 1 1722 . 2 2 74 74 VAL HB H 1 2.151 . . 1 . . . . 674 VAL HB . 17274 1 1723 . 2 2 74 74 VAL HG11 H 1 1.131 . . 2 . . . . 674 VAL HG1# . 17274 1 1724 . 2 2 74 74 VAL HG12 H 1 1.131 . . 2 . . . . 674 VAL HG1# . 17274 1 1725 . 2 2 74 74 VAL HG13 H 1 1.131 . . 2 . . . . 674 VAL HG1# . 17274 1 1726 . 2 2 74 74 VAL HG21 H 1 0.934 . . 2 . . . . 674 VAL HG2# . 17274 1 1727 . 2 2 74 74 VAL HG22 H 1 0.934 . . 2 . . . . 674 VAL HG2# . 17274 1 1728 . 2 2 74 74 VAL HG23 H 1 0.934 . . 2 . . . . 674 VAL HG2# . 17274 1 1729 . 2 2 74 74 VAL CA C 13 67.393 . . 1 . . . . 674 VAL CA . 17274 1 1730 . 2 2 74 74 VAL CB C 13 31.950 . . 1 . . . . 674 VAL CB . 17274 1 1731 . 2 2 74 74 VAL CG1 C 13 24.454 . . 2 . . . . 674 VAL CG1 . 17274 1 1732 . 2 2 74 74 VAL CG2 C 13 22.914 . . 2 . . . . 674 VAL CG2 . 17274 1 1733 . 2 2 74 74 VAL N N 15 116.556 . . 1 . . . . 674 VAL N . 17274 1 1734 . 2 2 75 75 GLU H H 1 8.267 . . 1 . . . . 675 GLU HN . 17274 1 1735 . 2 2 75 75 GLU HA H 1 3.805 . . 1 . . . . 675 GLU HA . 17274 1 1736 . 2 2 75 75 GLU HB2 H 1 2.047 . . 2 . . . . 675 GLU HB1 . 17274 1 1737 . 2 2 75 75 GLU HB3 H 1 1.895 . . 2 . . . . 675 GLU HB2 . 17274 1 1738 . 2 2 75 75 GLU HG2 H 1 2.500 . . 2 . . . . 675 GLU HG1 . 17274 1 1739 . 2 2 75 75 GLU HG3 H 1 2.207 . . 2 . . . . 675 GLU HG2 . 17274 1 1740 . 2 2 75 75 GLU CA C 13 60.224 . . 1 . . . . 675 GLU CA . 17274 1 1741 . 2 2 75 75 GLU CB C 13 29.464 . . 1 . . . . 675 GLU CB . 17274 1 1742 . 2 2 75 75 GLU CG C 13 37.330 . . 1 . . . . 675 GLU CG . 17274 1 1743 . 2 2 75 75 GLU N N 15 117.148 . . 1 . . . . 675 GLU N . 17274 1 1744 . 2 2 76 76 HIS H H 1 8.224 . . 1 . . . . 676 HIS HN . 17274 1 1745 . 2 2 76 76 HIS HA H 1 4.191 . . 1 . . . . 676 HIS HA . 17274 1 1746 . 2 2 76 76 HIS HB2 H 1 3.079 . . 2 . . . . 676 HIS HB1 . 17274 1 1747 . 2 2 76 76 HIS HB3 H 1 3.217 . . 2 . . . . 676 HIS HB2 . 17274 1 1748 . 2 2 76 76 HIS HD2 H 1 6.642 . . 1 . . . . 676 HIS HD2 . 17274 1 1749 . 2 2 76 76 HIS CA C 13 60.046 . . 1 . . . . 676 HIS CA . 17274 1 1750 . 2 2 76 76 HIS CB C 13 32.449 . . 1 . . . . 676 HIS CB . 17274 1 1751 . 2 2 76 76 HIS CD2 C 13 116.337 . . 1 . . . . 676 HIS CD2 . 17274 1 1752 . 2 2 76 76 HIS N N 15 119.206 . . 1 . . . . 676 HIS N . 17274 1 1753 . 2 2 77 77 LEU H H 1 7.984 . . 1 . . . . 677 LEU HN . 17274 1 1754 . 2 2 77 77 LEU HA H 1 4.002 . . 1 . . . . 677 LEU HA . 17274 1 1755 . 2 2 77 77 LEU HB2 H 1 1.535 . . 2 . . . . 677 LEU HB1 . 17274 1 1756 . 2 2 77 77 LEU HB3 H 1 1.802 . . 2 . . . . 677 LEU HB2 . 17274 1 1757 . 2 2 77 77 LEU HD11 H 1 0.577 . . 2 . . . . 677 LEU HD1# . 17274 1 1758 . 2 2 77 77 LEU HD12 H 1 0.577 . . 2 . . . . 677 LEU HD1# . 17274 1 1759 . 2 2 77 77 LEU HD13 H 1 0.577 . . 2 . . . . 677 LEU HD1# . 17274 1 1760 . 2 2 77 77 LEU HD21 H 1 0.212 . . 2 . . . . 677 LEU HD2# . 17274 1 1761 . 2 2 77 77 LEU HD22 H 1 0.212 . . 2 . . . . 677 LEU HD2# . 17274 1 1762 . 2 2 77 77 LEU HD23 H 1 0.212 . . 2 . . . . 677 LEU HD2# . 17274 1 1763 . 2 2 77 77 LEU HG H 1 1.903 . . 1 . . . . 677 LEU HG . 17274 1 1764 . 2 2 77 77 LEU CA C 13 57.547 . . 1 . . . . 677 LEU CA . 17274 1 1765 . 2 2 77 77 LEU CB C 13 40.854 . . 1 . . . . 677 LEU CB . 17274 1 1766 . 2 2 77 77 LEU CD1 C 13 26.554 . . 2 . . . . 677 LEU CD1 . 17274 1 1767 . 2 2 77 77 LEU CD2 C 13 20.661 . . 2 . . . . 677 LEU CD2 . 17274 1 1768 . 2 2 77 77 LEU CG C 13 26.844 . . 1 . . . . 677 LEU CG . 17274 1 1769 . 2 2 77 77 LEU N N 15 119.809 . . 1 . . . . 677 LEU N . 17274 1 1770 . 2 2 78 78 VAL H H 1 8.946 . . 1 . . . . 678 VAL HN . 17274 1 1771 . 2 2 78 78 VAL HA H 1 3.557 . . 1 . . . . 678 VAL HA . 17274 1 1772 . 2 2 78 78 VAL HB H 1 2.110 . . 1 . . . . 678 VAL HB . 17274 1 1773 . 2 2 78 78 VAL HG11 H 1 0.977 . . 2 . . . . 678 VAL HG1# . 17274 1 1774 . 2 2 78 78 VAL HG12 H 1 0.977 . . 2 . . . . 678 VAL HG1# . 17274 1 1775 . 2 2 78 78 VAL HG13 H 1 0.977 . . 2 . . . . 678 VAL HG1# . 17274 1 1776 . 2 2 78 78 VAL HG21 H 1 0.919 . . 2 . . . . 678 VAL HG2# . 17274 1 1777 . 2 2 78 78 VAL HG22 H 1 0.919 . . 2 . . . . 678 VAL HG2# . 17274 1 1778 . 2 2 78 78 VAL HG23 H 1 0.919 . . 2 . . . . 678 VAL HG2# . 17274 1 1779 . 2 2 78 78 VAL CA C 13 66.947 . . 1 . . . . 678 VAL CA . 17274 1 1780 . 2 2 78 78 VAL CB C 13 31.578 . . 1 . . . . 678 VAL CB . 17274 1 1781 . 2 2 78 78 VAL CG1 C 13 23.539 . . 2 . . . . 678 VAL CG1 . 17274 1 1782 . 2 2 78 78 VAL CG2 C 13 21.088 . . 2 . . . . 678 VAL CG2 . 17274 1 1783 . 2 2 78 78 VAL N N 15 120.501 . . 1 . . . . 678 VAL N . 17274 1 1784 . 2 2 79 79 LYS H H 1 7.263 . . 1 . . . . 679 LYS HN . 17274 1 1785 . 2 2 79 79 LYS HA H 1 3.981 . . 1 . . . . 679 LYS HA . 17274 1 1786 . 2 2 79 79 LYS HB2 H 1 1.811 . . 2 . . . . 679 LYS HB1 . 17274 1 1787 . 2 2 79 79 LYS HB3 H 1 1.877 . . 2 . . . . 679 LYS HB2 . 17274 1 1788 . 2 2 79 79 LYS HD2 H 1 1.640 . . 2 . . . . 679 LYS HD1 . 17274 1 1789 . 2 2 79 79 LYS HD3 H 1 1.640 . . 2 . . . . 679 LYS HD2 . 17274 1 1790 . 2 2 79 79 LYS HG2 H 1 1.508 . . 2 . . . . 679 LYS HG1 . 17274 1 1791 . 2 2 79 79 LYS HG3 H 1 1.312 . . 2 . . . . 679 LYS HG2 . 17274 1 1792 . 2 2 79 79 LYS CA C 13 59.437 . . 1 . . . . 679 LYS CA . 17274 1 1793 . 2 2 79 79 LYS CB C 13 32.016 . . 1 . . . . 679 LYS CB . 17274 1 1794 . 2 2 79 79 LYS CD C 13 29.330 . . 1 . . . . 679 LYS CD . 17274 1 1795 . 2 2 79 79 LYS CE C 13 41.871 . . 1 . . . . 679 LYS CE . 17274 1 1796 . 2 2 79 79 LYS CG C 13 24.889 . . 1 . . . . 679 LYS CG . 17274 1 1797 . 2 2 79 79 LYS N N 15 121.449 . . 1 . . . . 679 LYS N . 17274 1 1798 . 2 2 80 80 LEU H H 1 7.826 . . 1 . . . . 680 LEU HN . 17274 1 1799 . 2 2 80 80 LEU HA H 1 4.002 . . 1 . . . . 680 LEU HA . 17274 1 1800 . 2 2 80 80 LEU HB2 H 1 1.615 . . 2 . . . . 680 LEU HB1 . 17274 1 1801 . 2 2 80 80 LEU HB3 H 1 1.838 . . 2 . . . . 680 LEU HB2 . 17274 1 1802 . 2 2 80 80 LEU HD11 H 1 0.865 . . 2 . . . . 680 LEU HD1# . 17274 1 1803 . 2 2 80 80 LEU HD12 H 1 0.865 . . 2 . . . . 680 LEU HD1# . 17274 1 1804 . 2 2 80 80 LEU HD13 H 1 0.865 . . 2 . . . . 680 LEU HD1# . 17274 1 1805 . 2 2 80 80 LEU HD21 H 1 0.888 . . 2 . . . . 680 LEU HD2# . 17274 1 1806 . 2 2 80 80 LEU HD22 H 1 0.888 . . 2 . . . . 680 LEU HD2# . 17274 1 1807 . 2 2 80 80 LEU HD23 H 1 0.888 . . 2 . . . . 680 LEU HD2# . 17274 1 1808 . 2 2 80 80 LEU HG H 1 1.617 . . 1 . . . . 680 LEU HG . 17274 1 1809 . 2 2 80 80 LEU CA C 13 57.488 . . 1 . . . . 680 LEU CA . 17274 1 1810 . 2 2 80 80 LEU CB C 13 42.194 . . 1 . . . . 680 LEU CB . 17274 1 1811 . 2 2 80 80 LEU CD1 C 13 26.009 . . 2 . . . . 680 LEU CD1 . 17274 1 1812 . 2 2 80 80 LEU CD2 C 13 24.520 . . 2 . . . . 680 LEU CD2 . 17274 1 1813 . 2 2 80 80 LEU CG C 13 26.836 . . 1 . . . . 680 LEU CG . 17274 1 1814 . 2 2 80 80 LEU N N 15 119.535 . . 1 . . . . 680 LEU N . 17274 1 1815 . 2 2 81 81 MET H H 1 7.990 . . 1 . . . . 681 MET HN . 17274 1 1816 . 2 2 81 81 MET HA H 1 3.995 . . 1 . . . . 681 MET HA . 17274 1 1817 . 2 2 81 81 MET HB2 H 1 2.022 . . 2 . . . . 681 MET HB1 . 17274 1 1818 . 2 2 81 81 MET HB3 H 1 2.257 . . 2 . . . . 681 MET HB2 . 17274 1 1819 . 2 2 81 81 MET HG2 H 1 2.535 . . 2 . . . . 681 MET HG1 . 17274 1 1820 . 2 2 81 81 MET HG3 H 1 2.462 . . 2 . . . . 681 MET HG2 . 17274 1 1821 . 2 2 81 81 MET CA C 13 58.773 . . 1 . . . . 681 MET CA . 17274 1 1822 . 2 2 81 81 MET CB C 13 33.840 . . 1 . . . . 681 MET CB . 17274 1 1823 . 2 2 81 81 MET CE C 13 24.990 . . 1 . . . . 681 MET CE . 17274 1 1824 . 2 2 81 81 MET CG C 13 32.210 . . 1 . . . . 681 MET CG . 17274 1 1825 . 2 2 81 81 MET N N 15 116.889 . . 1 . . . . 681 MET N . 17274 1 1826 . 2 2 82 82 ALA H H 1 7.659 . . 1 . . . . 682 ALA HN . 17274 1 1827 . 2 2 82 82 ALA HA H 1 4.282 . . 1 . . . . 682 ALA HA . 17274 1 1828 . 2 2 82 82 ALA CA C 13 53.670 . . 1 . . . . 682 ALA CA . 17274 1 1829 . 2 2 82 82 ALA CB C 13 18.999 . . 1 . . . . 682 ALA CB . 17274 1 1830 . 2 2 82 82 ALA N N 15 118.929 . . 1 . . . . 682 ALA N . 17274 1 1831 . 2 2 83 83 GLU H H 1 7.823 . . 1 . . . . 683 GLU HN . 17274 1 1832 . 2 2 83 83 GLU HA H 1 4.403 . . 1 . . . . 683 GLU HA . 17274 1 1833 . 2 2 83 83 GLU HB2 H 1 2.026 . . 2 . . . . 683 GLU HB1 . 17274 1 1834 . 2 2 83 83 GLU HB3 H 1 2.139 . . 2 . . . . 683 GLU HB2 . 17274 1 1835 . 2 2 83 83 GLU HG2 H 1 2.350 . . 2 . . . . 683 GLU HG1 . 17274 1 1836 . 2 2 83 83 GLU HG3 H 1 2.350 . . 2 . . . . 683 GLU HG2 . 17274 1 1837 . 2 2 83 83 GLU CA C 13 56.005 . . 1 . . . . 683 GLU CA . 17274 1 1838 . 2 2 83 83 GLU CB C 13 30.784 . . 1 . . . . 683 GLU CB . 17274 1 1839 . 2 2 83 83 GLU CG C 13 36.489 . . 1 . . . . 683 GLU CG . 17274 1 1840 . 2 2 83 83 GLU N N 15 117.106 . . 1 . . . . 683 GLU N . 17274 1 1841 . 2 2 84 84 LEU H H 1 7.236 . . 1 . . . . 684 LEU HN . 17274 1 1842 . 2 2 84 84 LEU HA H 1 4.239 . . 1 . . . . 684 LEU HA . 17274 1 1843 . 2 2 84 84 LEU HB2 H 1 1.407 . . 2 . . . . 684 LEU HB1 . 17274 1 1844 . 2 2 84 84 LEU HB3 H 1 1.778 . . 2 . . . . 684 LEU HB2 . 17274 1 1845 . 2 2 84 84 LEU HD11 H 1 0.937 . . 2 . . . . 684 LEU HD1# . 17274 1 1846 . 2 2 84 84 LEU HD12 H 1 0.937 . . 2 . . . . 684 LEU HD1# . 17274 1 1847 . 2 2 84 84 LEU HD13 H 1 0.937 . . 2 . . . . 684 LEU HD1# . 17274 1 1848 . 2 2 84 84 LEU HD21 H 1 0.871 . . 2 . . . . 684 LEU HD2# . 17274 1 1849 . 2 2 84 84 LEU HD22 H 1 0.871 . . 2 . . . . 684 LEU HD2# . 17274 1 1850 . 2 2 84 84 LEU HD23 H 1 0.871 . . 2 . . . . 684 LEU HD2# . 17274 1 1851 . 2 2 84 84 LEU HG H 1 2.032 . . 1 . . . . 684 LEU HG . 17274 1 1852 . 2 2 84 84 LEU CA C 13 56.000 . . 1 . . . . 684 LEU CA . 17274 1 1853 . 2 2 84 84 LEU CB C 13 43.082 . . 1 . . . . 684 LEU CB . 17274 1 1854 . 2 2 84 84 LEU CD1 C 13 26.473 . . 2 . . . . 684 LEU CD1 . 17274 1 1855 . 2 2 84 84 LEU CD2 C 13 23.353 . . 2 . . . . 684 LEU CD2 . 17274 1 1856 . 2 2 84 84 LEU CG C 13 26.227 . . 1 . . . . 684 LEU CG . 17274 1 1857 . 2 2 84 84 LEU N N 15 122.297 . . 1 . . . . 684 LEU N . 17274 1 1858 . 2 2 85 85 GLU H H 1 7.920 . . 1 . . . . 685 GLU HN . 17274 1 1859 . 2 2 85 85 GLU HA H 1 4.249 . . 1 . . . . 685 GLU HA . 17274 1 1860 . 2 2 85 85 GLU HB2 H 1 2.052 . . 2 . . . . 685 GLU HB1 . 17274 1 1861 . 2 2 85 85 GLU HB3 H 1 1.939 . . 2 . . . . 685 GLU HB2 . 17274 1 1862 . 2 2 85 85 GLU HG2 H 1 2.187 . . 2 . . . . 685 GLU HG1 . 17274 1 1863 . 2 2 85 85 GLU HG3 H 1 2.187 . . 2 . . . . 685 GLU HG2 . 17274 1 1864 . 2 2 85 85 GLU CA C 13 57.610 . . 1 . . . . 685 GLU CA . 17274 1 1865 . 2 2 85 85 GLU CB C 13 32.577 . . 1 . . . . 685 GLU CB . 17274 1 1866 . 2 2 85 85 GLU CG C 13 36.416 . . 1 . . . . 685 GLU CG . 17274 1 1867 . 2 2 85 85 GLU N N 15 125.644 . . 1 . . . . 685 GLU N . 17274 1 stop_ save_