data_17879 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17879 _Entry.Title ; NMR structure of Atg8-Atg7C30 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-23 _Entry.Accession_date 2011-08-23 _Entry.Last_release_date 2011-12-02 _Entry.Original_release_date 2011-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hiroyuki Kumeta . . . 17879 2 Kenji Satoo . . . 17879 3 Nobuo Noda . N. . 17879 4 Yuko Fujioka . . . 17879 5 Kenji Ogura . . . 17879 6 Hitoshi Nakatogawa . . . 17879 7 Yoshinori Ohsumi . . . 17879 8 Fuyuhiko Inagaki . . . 17879 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' . 17879 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Autophagy . 17879 'Complex NMR structure' . 17879 'ubiquitin like' . 17879 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17879 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 681 17879 '15N chemical shifts' 154 17879 '1H chemical shifts' 1111 17879 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-12-02 2011-08-23 original author . 17879 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KWC . 17879 PDB 2LI5 'BMRB Entry Tracking System' 17879 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17879 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22055191 _Citation.Full_citation . _Citation.Title 'Structural basis of Atg8 activation and transfer to Atg3 by a homodimeric E1, Atg7' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 3 _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 462 _Citation.Page_last 475 _Citation.Year 2011 _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 Nobuo Noda . N. . 17879 1 2 Kenji Satoo . . . 17879 1 3 Yuko Fujioka . . . 17879 1 4 Hiroyuki Kumeta . . . 17879 1 5 Kenji Ogura . . . 17879 1 6 Hitoshi Nakatogawa . . . 17879 1 7 Yoshinori Ohsumi . . . 17879 1 8 Fuyuhiko Inagaki . . . 17879 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17879 _Assembly.ID 1 _Assembly.Name Atg8K26P _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Atg8K26P 1 $Atg8K26P A . yes native no no . . . 17879 1 2 ATG7C30 2 $ATG7C30 B . yes native no no . . . 17879 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atg8K26P _Entity.Sf_category entity _Entity.Sf_framecode Atg8K26P _Entity.Entry_ID 17879 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atg8K26P _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 ; HMKSTFKSEYPFEKRKAESE RIADRFPNRIPVICEKAEKS DIPEIDKRKYLVPADLTVGQ FVYVIRKRIMLPPEKAIFIF VNDTLPPTAALMSAIYQEHK DKDGFLYVTYSGENTFG ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13597.823 _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 16120 . Atg8 . . . . . 99.15 119 99.14 99.14 9.20e-77 . . . . 17879 1 2 no BMRB 16835 . Atg8_K26P . . . . . 99.15 116 100.00 100.00 1.02e-77 . . . . 17879 1 3 no PDB 2KQ7 . "Solution Structure Of The Autophagy-Related Protein Atg8" . . . . . 99.15 119 99.14 99.14 9.20e-77 . . . . 17879 1 4 no PDB 2KWC . "The Nmr Structure Of The Autophagy-Related Protein Atg8" . . . . . 99.15 116 100.00 100.00 1.02e-77 . . . . 17879 1 5 no PDB 2LI5 . "Nmr Structure Of Atg8-Atg7c30 Complex" . . . . . 100.00 117 100.00 100.00 6.01e-79 . . . . 17879 1 6 no PDB 2ZPN . "The Crystal Structure Of Saccharomyces Cerevisiae Atg8- Atg19(412-415) Complex" . . . . . 100.00 119 99.15 99.15 6.63e-78 . . . . 17879 1 7 no PDB 3RUI . "Crystal Structure Of Atg7c-atg8 Complex" . . . . . 99.15 118 99.14 99.14 1.03e-76 . . . . 17879 1 8 no PDB 3VH3 . "Crystal Structure Of Atg7ctd-Atg8 Complex" . . . . . 100.00 119 100.00 100.00 8.70e-79 . . . . 17879 1 9 no PDB 3VH4 . "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" . . . . . 100.00 119 100.00 100.00 8.70e-79 . . . . 17879 1 10 no PDB 3VXW . "Crystal Structure Of Saccharomyces Cerevisiae Atg8 Complexed With Atg32 Aim" . . . . . 100.00 119 99.15 99.15 6.63e-78 . . . . 17879 1 11 no DBJ GAA21477 . "K7_Atg8p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 12 no EMBL CAA56032 . "E-117 protein [Saccharomyces cerevisiae]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 13 no EMBL CAA84899 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 14 no EMBL CAY77706 . "Atg8p [Saccharomyces cerevisiae EC1118]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 15 no GB AAT92889 . "YBL078C [Saccharomyces cerevisiae]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 16 no GB AHY74413 . "Atg8p [Saccharomyces cerevisiae YJM993]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 17 no GB AJP37015 . "Atg8p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 18 no GB AJP81917 . "Atg8p [Saccharomyces cerevisiae YJM1402]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 19 no GB AJP82297 . "Atg8p [Saccharomyces cerevisiae YJM1415]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 20 no REF NP_009475 . "ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 21 no SP A6ZKM4 . "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 22 no SP P38182 . "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 1 23 no TPG DAA07045 . "TPA: ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" . . . . . 99.15 117 99.14 99.14 9.42e-77 . . . . 17879 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 0 HIS . 17879 1 2 1 MET . 17879 1 3 2 LYS . 17879 1 4 3 SER . 17879 1 5 4 THR . 17879 1 6 5 PHE . 17879 1 7 6 LYS . 17879 1 8 7 SER . 17879 1 9 8 GLU . 17879 1 10 9 TYR . 17879 1 11 10 PRO . 17879 1 12 11 PHE . 17879 1 13 12 GLU . 17879 1 14 13 LYS . 17879 1 15 14 ARG . 17879 1 16 15 LYS . 17879 1 17 16 ALA . 17879 1 18 17 GLU . 17879 1 19 18 SER . 17879 1 20 19 GLU . 17879 1 21 20 ARG . 17879 1 22 21 ILE . 17879 1 23 22 ALA . 17879 1 24 23 ASP . 17879 1 25 24 ARG . 17879 1 26 25 PHE . 17879 1 27 26 PRO . 17879 1 28 27 ASN . 17879 1 29 28 ARG . 17879 1 30 29 ILE . 17879 1 31 30 PRO . 17879 1 32 31 VAL . 17879 1 33 32 ILE . 17879 1 34 33 CYS . 17879 1 35 34 GLU . 17879 1 36 35 LYS . 17879 1 37 36 ALA . 17879 1 38 37 GLU . 17879 1 39 38 LYS . 17879 1 40 39 SER . 17879 1 41 40 ASP . 17879 1 42 41 ILE . 17879 1 43 42 PRO . 17879 1 44 43 GLU . 17879 1 45 44 ILE . 17879 1 46 45 ASP . 17879 1 47 46 LYS . 17879 1 48 47 ARG . 17879 1 49 48 LYS . 17879 1 50 49 TYR . 17879 1 51 50 LEU . 17879 1 52 51 VAL . 17879 1 53 52 PRO . 17879 1 54 53 ALA . 17879 1 55 54 ASP . 17879 1 56 55 LEU . 17879 1 57 56 THR . 17879 1 58 57 VAL . 17879 1 59 58 GLY . 17879 1 60 59 GLN . 17879 1 61 60 PHE . 17879 1 62 61 VAL . 17879 1 63 62 TYR . 17879 1 64 63 VAL . 17879 1 65 64 ILE . 17879 1 66 65 ARG . 17879 1 67 66 LYS . 17879 1 68 67 ARG . 17879 1 69 68 ILE . 17879 1 70 69 MET . 17879 1 71 70 LEU . 17879 1 72 71 PRO . 17879 1 73 72 PRO . 17879 1 74 73 GLU . 17879 1 75 74 LYS . 17879 1 76 75 ALA . 17879 1 77 76 ILE . 17879 1 78 77 PHE . 17879 1 79 78 ILE . 17879 1 80 79 PHE . 17879 1 81 80 VAL . 17879 1 82 81 ASN . 17879 1 83 82 ASP . 17879 1 84 83 THR . 17879 1 85 84 LEU . 17879 1 86 85 PRO . 17879 1 87 86 PRO . 17879 1 88 87 THR . 17879 1 89 88 ALA . 17879 1 90 89 ALA . 17879 1 91 90 LEU . 17879 1 92 91 MET . 17879 1 93 92 SER . 17879 1 94 93 ALA . 17879 1 95 94 ILE . 17879 1 96 95 TYR . 17879 1 97 96 GLN . 17879 1 98 97 GLU . 17879 1 99 98 HIS . 17879 1 100 99 LYS . 17879 1 101 100 ASP . 17879 1 102 101 LYS . 17879 1 103 102 ASP . 17879 1 104 103 GLY . 17879 1 105 104 PHE . 17879 1 106 105 LEU . 17879 1 107 106 TYR . 17879 1 108 107 VAL . 17879 1 109 108 THR . 17879 1 110 109 TYR . 17879 1 111 110 SER . 17879 1 112 111 GLY . 17879 1 113 112 GLU . 17879 1 114 113 ASN . 17879 1 115 114 THR . 17879 1 116 115 PHE . 17879 1 117 116 GLY . 17879 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 . HIS 1 1 17879 1 . MET 2 2 17879 1 . LYS 3 3 17879 1 . SER 4 4 17879 1 . THR 5 5 17879 1 . PHE 6 6 17879 1 . LYS 7 7 17879 1 . SER 8 8 17879 1 . GLU 9 9 17879 1 . TYR 10 10 17879 1 . PRO 11 11 17879 1 . PHE 12 12 17879 1 . GLU 13 13 17879 1 . LYS 14 14 17879 1 . ARG 15 15 17879 1 . LYS 16 16 17879 1 . ALA 17 17 17879 1 . GLU 18 18 17879 1 . SER 19 19 17879 1 . GLU 20 20 17879 1 . ARG 21 21 17879 1 . ILE 22 22 17879 1 . ALA 23 23 17879 1 . ASP 24 24 17879 1 . ARG 25 25 17879 1 . PHE 26 26 17879 1 . PRO 27 27 17879 1 . ASN 28 28 17879 1 . ARG 29 29 17879 1 . ILE 30 30 17879 1 . PRO 31 31 17879 1 . VAL 32 32 17879 1 . ILE 33 33 17879 1 . CYS 34 34 17879 1 . GLU 35 35 17879 1 . LYS 36 36 17879 1 . ALA 37 37 17879 1 . GLU 38 38 17879 1 . LYS 39 39 17879 1 . SER 40 40 17879 1 . ASP 41 41 17879 1 . ILE 42 42 17879 1 . PRO 43 43 17879 1 . GLU 44 44 17879 1 . ILE 45 45 17879 1 . ASP 46 46 17879 1 . LYS 47 47 17879 1 . ARG 48 48 17879 1 . LYS 49 49 17879 1 . TYR 50 50 17879 1 . LEU 51 51 17879 1 . VAL 52 52 17879 1 . PRO 53 53 17879 1 . ALA 54 54 17879 1 . ASP 55 55 17879 1 . LEU 56 56 17879 1 . THR 57 57 17879 1 . VAL 58 58 17879 1 . GLY 59 59 17879 1 . GLN 60 60 17879 1 . PHE 61 61 17879 1 . VAL 62 62 17879 1 . TYR 63 63 17879 1 . VAL 64 64 17879 1 . ILE 65 65 17879 1 . ARG 66 66 17879 1 . LYS 67 67 17879 1 . ARG 68 68 17879 1 . ILE 69 69 17879 1 . MET 70 70 17879 1 . LEU 71 71 17879 1 . PRO 72 72 17879 1 . PRO 73 73 17879 1 . GLU 74 74 17879 1 . LYS 75 75 17879 1 . ALA 76 76 17879 1 . ILE 77 77 17879 1 . PHE 78 78 17879 1 . ILE 79 79 17879 1 . PHE 80 80 17879 1 . VAL 81 81 17879 1 . ASN 82 82 17879 1 . ASP 83 83 17879 1 . THR 84 84 17879 1 . LEU 85 85 17879 1 . PRO 86 86 17879 1 . PRO 87 87 17879 1 . THR 88 88 17879 1 . ALA 89 89 17879 1 . ALA 90 90 17879 1 . LEU 91 91 17879 1 . MET 92 92 17879 1 . SER 93 93 17879 1 . ALA 94 94 17879 1 . ILE 95 95 17879 1 . TYR 96 96 17879 1 . GLN 97 97 17879 1 . GLU 98 98 17879 1 . HIS 99 99 17879 1 . LYS 100 100 17879 1 . ASP 101 101 17879 1 . LYS 102 102 17879 1 . ASP 103 103 17879 1 . GLY 104 104 17879 1 . PHE 105 105 17879 1 . LEU 106 106 17879 1 . TYR 107 107 17879 1 . VAL 108 108 17879 1 . THR 109 109 17879 1 . TYR 110 110 17879 1 . SER 111 111 17879 1 . GLY 112 112 17879 1 . GLU 113 113 17879 1 . ASN 114 114 17879 1 . THR 115 115 17879 1 . PHE 116 116 17879 1 . GLY 117 117 17879 1 stop_ save_ save_ATG7C30 _Entity.Sf_category entity _Entity.Sf_framecode ATG7C30 _Entity.Entry_ID 17879 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ATG7C30 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMISGLSVIKQEVERLGN DVFEWEDDESDEIA ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3848.176 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LI5 . "Nmr Structure Of Atg8-Atg7c30 Complex" . . . . . 100.00 34 100.00 100.00 1.74e-14 . . . . 17879 2 2 no PDB 3RUI . "Crystal Structure Of Atg7c-atg8 Complex" . . . . . 88.24 340 100.00 100.00 3.00e-10 . . . . 17879 2 3 no PDB 3T7E . "Atg8 Transfer From Atg7 To Atg3: A Distinctive E1-E2 Architecture And Mechanism In The Autophagy Pathway" . . . . . 88.24 344 100.00 100.00 8.51e-10 . . . . 17879 2 4 no PDB 3VH3 . "Crystal Structure Of Atg7ctd-Atg8 Complex" . . . . . 88.24 340 100.00 100.00 8.72e-10 . . . . 17879 2 5 no PDB 3VH4 . "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" . . . . . 88.24 340 100.00 100.00 8.72e-10 . . . . 17879 2 6 no DBJ BAA33474 . "APG7 [Saccharomyces cerevisiae]" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 7 no GB AAB68016 . "Yhr171wp [Saccharomyces cerevisiae]" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 8 no GB EIW10078 . "Atg7p [Saccharomyces cerevisiae CEN.PK113-7D]" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 9 no GB EWH18191 . "Atg7p [Saccharomyces cerevisiae P283]" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 10 no REF NP_012041 . "Atg7p [Saccharomyces cerevisiae S288c]" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 11 no SP P38862 . "RecName: Full=Ubiquitin-like modifier-activating enzyme ATG7; AltName: Full=ATG12-activating enzyme E1 ATG7; AltName: Full=Auto" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 12 no TPG DAA06864 . "TPA: Atg7p [Saccharomyces cerevisiae S288c]" . . . . . 88.24 630 100.00 100.00 2.04e-10 . . . . 17879 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 597 GLY . 17879 2 2 598 PRO . 17879 2 3 599 HIS . 17879 2 4 600 MET . 17879 2 5 601 ILE . 17879 2 6 602 SER . 17879 2 7 603 GLY . 17879 2 8 604 LEU . 17879 2 9 605 SER . 17879 2 10 606 VAL . 17879 2 11 607 ILE . 17879 2 12 608 LYS . 17879 2 13 609 GLN . 17879 2 14 610 GLU . 17879 2 15 611 VAL . 17879 2 16 612 GLU . 17879 2 17 613 ARG . 17879 2 18 614 LEU . 17879 2 19 615 GLY . 17879 2 20 616 ASN . 17879 2 21 617 ASP . 17879 2 22 618 VAL . 17879 2 23 619 PHE . 17879 2 24 620 GLU . 17879 2 25 621 TRP . 17879 2 26 622 GLU . 17879 2 27 623 ASP . 17879 2 28 624 ASP . 17879 2 29 625 GLU . 17879 2 30 626 SER . 17879 2 31 627 ASP . 17879 2 32 628 GLU . 17879 2 33 629 ILE . 17879 2 34 630 ALA . 17879 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17879 2 . PRO 2 2 17879 2 . HIS 3 3 17879 2 . MET 4 4 17879 2 . ILE 5 5 17879 2 . SER 6 6 17879 2 . GLY 7 7 17879 2 . LEU 8 8 17879 2 . SER 9 9 17879 2 . VAL 10 10 17879 2 . ILE 11 11 17879 2 . LYS 12 12 17879 2 . GLN 13 13 17879 2 . GLU 14 14 17879 2 . VAL 15 15 17879 2 . GLU 16 16 17879 2 . ARG 17 17 17879 2 . LEU 18 18 17879 2 . GLY 19 19 17879 2 . ASN 20 20 17879 2 . ASP 21 21 17879 2 . VAL 22 22 17879 2 . PHE 23 23 17879 2 . GLU 24 24 17879 2 . TRP 25 25 17879 2 . GLU 26 26 17879 2 . ASP 27 27 17879 2 . ASP 28 28 17879 2 . GLU 29 29 17879 2 . SER 30 30 17879 2 . ASP 31 31 17879 2 . GLU 32 32 17879 2 . ILE 33 33 17879 2 . ALA 34 34 17879 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 17879 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Atg8K26P . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17879 1 2 2 $ATG7C30 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17879 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 17879 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Atg8K26P . 'recombinant technology' 'Aspergillus niger' . . . Aspergillus niger . . . . . . . . . . . . . . . . pGEX6p . . . . . . 17879 1 2 2 $ATG7C30 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6p . . . . . . 17879 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_Atg8K26P _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_Atg8K26P _Sample.Entry_ID 17879 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Atg8K26P '[U-99% 13C; U-99% 15N]' . . 1 $Atg8K26P . . 0.8 . . mM . . . . 17879 1 2 ATG7C30 'natural abundance' . . 2 $ATG7C30 . . 2.0 . . mM . . . . 17879 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17879 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17879 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17879 1 6 DSS 'natural abundance' . . . . . . 5 . . ug . . . . 17879 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17879 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17879 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17879 1 stop_ save_ save_13C_15N_Atg7C30 _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_Atg7C30 _Sample.Entry_ID 17879 _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 ATG7C30 '[U-99% 13C; U-99% 15N]' . . 1 $Atg8K26P . . 0.5 . . mM . . . . 17879 2 2 Atg8K26P 'natural abundance' . . 2 $ATG7C30 . . 1.25 . . mM . . . . 17879 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17879 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17879 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17879 2 6 DSS 'natural abundance' . . . . . . 5 . . ug . . . . 17879 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17879 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17879 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17879 2 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 17879 _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' 170 . mM 17879 1 pH 6.8 . pH 17879 1 pressure 1 . atm 17879 1 temperature 298 . K 17879 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17879 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17879 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17879 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17879 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17879 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17879 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17879 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17879 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17879 3 'peak picking' 17879 3 refinement 17879 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17879 _Software.ID 4 _Software.Name TALOS+ _Software.Version 1.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Chen, Cornilescu, Delaglio, Bax' . . 17879 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17879 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17879 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17879 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17879 5 'structure solution' 17879 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 17879 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17879 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17879 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17879 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17879 _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 Varian INOVA . 800 . . . 17879 1 2 spectrometer_2 Varian INOVA . 600 . . . 17879 1 3 spectrometer_3 Varian INOVA . 600 . . . 17879 1 4 spectrometer_4 Varian INOVA . 500 . . . 17879 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 17879 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 5 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 6 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 8 '3D HNCA' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 9 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17879 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 13 '3D HNCO' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17879 1 14 '3D HNCACB' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 15 '3D HNCACB' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17879 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 17 '3D C(CO)NH' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 18 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 19 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 20 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 21 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17879 1 22 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $13C_15N_Atg8K26P isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 1 23 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $13C_15N_Atg7C30 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17879 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 17879 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17879 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 17879 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17879 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 17879 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17879 1 2 '2D 1H-13C HSQC aliphatic' . . . 17879 1 3 '3D 1H-15N NOESY' . . . 17879 1 4 '3D 1H-13C NOESY aliphatic' . . . 17879 1 7 '2D 1H-13C HSQC aromatic' . . . 17879 1 10 '3D 1H-13C NOESY aromatic' . . . 17879 1 12 '2D 1H-15N HSQC' . . . 17879 1 16 '3D 1H-15N NOESY' . . . 17879 1 18 '2D 1H-13C HSQC aliphatic' . . . 17879 1 19 '3D 1H-13C NOESY aliphatic' . . . 17879 1 20 '2D 1H-13C HSQC aromatic' . . . 17879 1 23 '3D 1H-13C NOESY aromatic' . . . 17879 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 HIS HA H 1 4.671 0.000 . 1 . . . A 0 HIS HA . 17879 1 2 . 1 1 1 1 HIS HB2 H 1 3.127 0.000 . 2 . . . A 0 HIS HB2 . 17879 1 3 . 1 1 1 1 HIS HB3 H 1 3.188 0.000 . 2 . . . A 0 HIS HB3 . 17879 1 4 . 1 1 1 1 HIS HD2 H 1 7.130 0.000 . 1 . . . A 0 HIS HD2 . 17879 1 5 . 1 1 1 1 HIS HE1 H 1 8.182 0.000 . 1 . . . A 0 HIS HE1 . 17879 1 6 . 1 1 1 1 HIS H H 1 8.616 0.000 . 1 . . . A 0 HIS H1 . 17879 1 7 . 1 1 1 1 HIS C C 13 174.844 0.000 . 1 . . . A 0 HIS C . 17879 1 8 . 1 1 1 1 HIS CA C 13 55.841 0.000 . 1 . . . A 0 HIS CA . 17879 1 9 . 1 1 1 1 HIS CB C 13 30.002 0.018 . 1 . . . A 0 HIS CB . 17879 1 10 . 1 1 1 1 HIS CD2 C 13 120.019 0.000 . 1 . . . A 0 HIS CD2 . 17879 1 11 . 1 1 1 1 HIS CE1 C 13 137.568 0.000 . 1 . . . A 0 HIS CE1 . 17879 1 12 . 1 1 1 1 HIS N N 15 119.515 0.000 . 1 . . . A 0 HIS N . 17879 1 13 . 1 1 2 2 MET H H 1 8.425 0.000 . 1 . . . A 1 MET H . 17879 1 14 . 1 1 2 2 MET HA H 1 4.455 0.000 . 1 . . . A 1 MET HA . 17879 1 15 . 1 1 2 2 MET HB2 H 1 1.992 0.000 . 2 . . . A 1 MET HB2 . 17879 1 16 . 1 1 2 2 MET HB3 H 1 2.055 0.000 . 2 . . . A 1 MET HB3 . 17879 1 17 . 1 1 2 2 MET HG2 H 1 2.494 0.000 . 2 . . . A 1 MET HG2 . 17879 1 18 . 1 1 2 2 MET HG3 H 1 2.540 0.000 . 2 . . . A 1 MET HG3 . 17879 1 19 . 1 1 2 2 MET HE1 H 1 2.069 0.000 . . . . . A 1 MET HE1 . 17879 1 20 . 1 1 2 2 MET HE2 H 1 2.069 0.000 . . . . . A 1 MET HE2 . 17879 1 21 . 1 1 2 2 MET HE3 H 1 2.069 0.000 . . . . . A 1 MET HE3 . 17879 1 22 . 1 1 2 2 MET C C 13 175.655 0.000 . 1 . . . A 1 MET C . 17879 1 23 . 1 1 2 2 MET CA C 13 55.438 0.000 . 1 . . . A 1 MET CA . 17879 1 24 . 1 1 2 2 MET CB C 13 33.126 0.001 . 1 . . . A 1 MET CB . 17879 1 25 . 1 1 2 2 MET CG C 13 31.944 0.001 . 1 . . . A 1 MET CG . 17879 1 26 . 1 1 2 2 MET CE C 13 17.180 0.000 . 1 . . . A 1 MET CE . 17879 1 27 . 1 1 2 2 MET N N 15 122.410 0.000 . 1 . . . A 1 MET N . 17879 1 28 . 1 1 3 3 LYS H H 1 8.512 0.000 . 1 . . . A 2 LYS H . 17879 1 29 . 1 1 3 3 LYS HA H 1 4.326 0.000 . 1 . . . A 2 LYS HA . 17879 1 30 . 1 1 3 3 LYS HB2 H 1 1.847 0.000 . 2 . . . A 2 LYS HB2 . 17879 1 31 . 1 1 3 3 LYS HB3 H 1 1.774 0.000 . 2 . . . A 2 LYS HB3 . 17879 1 32 . 1 1 3 3 LYS HG2 H 1 1.430 0.000 . 2 . . . A 2 LYS HG2 . 17879 1 33 . 1 1 3 3 LYS HG3 H 1 1.461 0.000 . 2 . . . A 2 LYS HG3 . 17879 1 34 . 1 1 3 3 LYS HD2 H 1 1.705 0.000 . 2 . . . A 2 LYS HD2 . 17879 1 35 . 1 1 3 3 LYS HD3 H 1 1.705 0.000 . 2 . . . A 2 LYS HD3 . 17879 1 36 . 1 1 3 3 LYS HE2 H 1 3.017 0.000 . 2 . . . A 2 LYS HE2 . 17879 1 37 . 1 1 3 3 LYS HE3 H 1 3.017 0.000 . 2 . . . A 2 LYS HE3 . 17879 1 38 . 1 1 3 3 LYS C C 13 176.266 0.000 . 1 . . . A 2 LYS C . 17879 1 39 . 1 1 3 3 LYS CA C 13 56.348 0.000 . 1 . . . A 2 LYS CA . 17879 1 40 . 1 1 3 3 LYS CB C 13 33.219 0.000 . 1 . . . A 2 LYS CB . 17879 1 41 . 1 1 3 3 LYS CG C 13 24.711 0.002 . 1 . . . A 2 LYS CG . 17879 1 42 . 1 1 3 3 LYS CD C 13 29.216 0.000 . 1 . . . A 2 LYS CD . 17879 1 43 . 1 1 3 3 LYS CE C 13 42.125 0.000 . 1 . . . A 2 LYS CE . 17879 1 44 . 1 1 3 3 LYS N N 15 123.656 0.000 . 1 . . . A 2 LYS N . 17879 1 45 . 1 1 4 4 SER H H 1 8.426 0.000 . 1 . . . A 3 SER H . 17879 1 46 . 1 1 4 4 SER HA H 1 4.631 0.000 . 1 . . . A 3 SER HA . 17879 1 47 . 1 1 4 4 SER HB2 H 1 3.883 0.000 . 2 . . . A 3 SER HB2 . 17879 1 48 . 1 1 4 4 SER HB3 H 1 3.729 0.000 . 2 . . . A 3 SER HB3 . 17879 1 49 . 1 1 4 4 SER C C 13 175.421 0.000 . 1 . . . A 3 SER C . 17879 1 50 . 1 1 4 4 SER CA C 13 57.629 0.000 . 1 . . . A 3 SER CA . 17879 1 51 . 1 1 4 4 SER CB C 13 64.079 0.004 . 1 . . . A 3 SER CB . 17879 1 52 . 1 1 4 4 SER N N 15 118.350 0.000 . 1 . . . A 3 SER N . 17879 1 53 . 1 1 5 5 THR H H 1 9.971 0.000 . 1 . . . A 4 THR H . 17879 1 54 . 1 1 5 5 THR HA H 1 4.482 0.000 . 1 . . . A 4 THR HA . 17879 1 55 . 1 1 5 5 THR HB H 1 4.823 0.000 . 1 . . . A 4 THR HB . 17879 1 56 . 1 1 5 5 THR HG21 H 1 1.307 0.000 . . . . . A 4 THR HG21 . 17879 1 57 . 1 1 5 5 THR HG22 H 1 1.307 0.000 . . . . . A 4 THR HG22 . 17879 1 58 . 1 1 5 5 THR HG23 H 1 1.307 0.000 . . . . . A 4 THR HG23 . 17879 1 59 . 1 1 5 5 THR C C 13 174.680 0.000 . 1 . . . A 4 THR C . 17879 1 60 . 1 1 5 5 THR CA C 13 62.001 0.000 . 1 . . . A 4 THR CA . 17879 1 61 . 1 1 5 5 THR CB C 13 70.137 0.000 . 1 . . . A 4 THR CB . 17879 1 62 . 1 1 5 5 THR CG2 C 13 22.189 0.000 . 1 . . . A 4 THR CG2 . 17879 1 63 . 1 1 5 5 THR N N 15 127.775 0.000 . 1 . . . A 4 THR N . 17879 1 64 . 1 1 6 6 PHE H H 1 8.863 0.000 . 1 . . . A 5 PHE H . 17879 1 65 . 1 1 6 6 PHE HA H 1 4.125 0.000 . 1 . . . A 5 PHE HA . 17879 1 66 . 1 1 6 6 PHE HB2 H 1 2.985 0.000 . 2 . . . A 5 PHE HB2 . 17879 1 67 . 1 1 6 6 PHE HB3 H 1 3.175 0.000 . 2 . . . A 5 PHE HB3 . 17879 1 68 . 1 1 6 6 PHE HD1 H 1 7.364 0.004 . 3 . . . A 5 PHE HD1 . 17879 1 69 . 1 1 6 6 PHE HD2 H 1 7.364 0.004 . 3 . . . A 5 PHE HD2 . 17879 1 70 . 1 1 6 6 PHE HE1 H 1 6.557 0.000 . 3 . . . A 5 PHE HE1 . 17879 1 71 . 1 1 6 6 PHE HE2 H 1 6.557 0.000 . 3 . . . A 5 PHE HE2 . 17879 1 72 . 1 1 6 6 PHE HZ H 1 6.383 0.000 . 1 . . . A 5 PHE HZ . 17879 1 73 . 1 1 6 6 PHE C C 13 177.064 0.000 . 1 . . . A 5 PHE C . 17879 1 74 . 1 1 6 6 PHE CA C 13 63.041 0.000 . 1 . . . A 5 PHE CA . 17879 1 75 . 1 1 6 6 PHE CB C 13 40.828 0.008 . 1 . . . A 5 PHE CB . 17879 1 76 . 1 1 6 6 PHE CD1 C 13 132.232 0.000 . 3 . . . A 5 PHE CD1 . 17879 1 77 . 1 1 6 6 PHE CE1 C 13 131.247 0.000 . 3 . . . A 5 PHE CE1 . 17879 1 78 . 1 1 6 6 PHE CZ C 13 128.799 0.000 . 1 . . . A 5 PHE CZ . 17879 1 79 . 1 1 6 6 PHE N N 15 123.021 0.000 . 1 . . . A 5 PHE N . 17879 1 80 . 1 1 7 7 LYS H H 1 8.661 0.000 . 1 . . . A 6 LYS H . 17879 1 81 . 1 1 7 7 LYS HA H 1 3.916 0.000 . 1 . . . A 6 LYS HA . 17879 1 82 . 1 1 7 7 LYS HB2 H 1 1.692 0.000 . 2 . . . A 6 LYS HB2 . 17879 1 83 . 1 1 7 7 LYS HB3 H 1 1.786 0.000 . 2 . . . A 6 LYS HB3 . 17879 1 84 . 1 1 7 7 LYS HG2 H 1 1.365 0.000 . 2 . . . A 6 LYS HG2 . 17879 1 85 . 1 1 7 7 LYS HG3 H 1 1.703 0.000 . 2 . . . A 6 LYS HG3 . 17879 1 86 . 1 1 7 7 LYS HD2 H 1 1.377 0.000 . 2 . . . A 6 LYS HD2 . 17879 1 87 . 1 1 7 7 LYS HD3 H 1 1.524 0.000 . 2 . . . A 6 LYS HD3 . 17879 1 88 . 1 1 7 7 LYS HE2 H 1 2.086 0.000 . 2 . . . A 6 LYS HE2 . 17879 1 89 . 1 1 7 7 LYS HE3 H 1 2.593 0.000 . 2 . . . A 6 LYS HE3 . 17879 1 90 . 1 1 7 7 LYS C C 13 177.535 0.000 . 1 . . . A 6 LYS C . 17879 1 91 . 1 1 7 7 LYS CA C 13 60.026 0.000 . 1 . . . A 6 LYS CA . 17879 1 92 . 1 1 7 7 LYS CB C 13 33.611 0.003 . 1 . . . A 6 LYS CB . 17879 1 93 . 1 1 7 7 LYS CG C 13 26.731 0.015 . 1 . . . A 6 LYS CG . 17879 1 94 . 1 1 7 7 LYS CD C 13 30.562 0.006 . 1 . . . A 6 LYS CD . 17879 1 95 . 1 1 7 7 LYS CE C 13 41.700 0.001 . 1 . . . A 6 LYS CE . 17879 1 96 . 1 1 7 7 LYS N N 15 114.006 0.000 . 1 . . . A 6 LYS N . 17879 1 97 . 1 1 8 8 SER H H 1 7.552 0.000 . 1 . . . A 7 SER H . 17879 1 98 . 1 1 8 8 SER HA H 1 4.275 0.000 . 1 . . . A 7 SER HA . 17879 1 99 . 1 1 8 8 SER HB2 H 1 3.851 0.000 . 2 . . . A 7 SER HB2 . 17879 1 100 . 1 1 8 8 SER HB3 H 1 3.971 0.000 . 2 . . . A 7 SER HB3 . 17879 1 101 . 1 1 8 8 SER C C 13 175.689 0.000 . 1 . . . A 7 SER C . 17879 1 102 . 1 1 8 8 SER CA C 13 60.007 0.000 . 1 . . . A 7 SER CA . 17879 1 103 . 1 1 8 8 SER CB C 13 63.759 0.003 . 1 . . . A 7 SER CB . 17879 1 104 . 1 1 8 8 SER N N 15 111.149 0.000 . 1 . . . A 7 SER N . 17879 1 105 . 1 1 9 9 GLU H H 1 7.924 0.000 . 1 . . . A 8 GLU H . 17879 1 106 . 1 1 9 9 GLU HA H 1 3.818 0.000 . 1 . . . A 8 GLU HA . 17879 1 107 . 1 1 9 9 GLU HB2 H 1 1.300 0.000 . 2 . . . A 8 GLU HB2 . 17879 1 108 . 1 1 9 9 GLU HB3 H 1 1.703 0.000 . 2 . . . A 8 GLU HB3 . 17879 1 109 . 1 1 9 9 GLU HG2 H 1 1.633 0.000 . 2 . . . A 8 GLU HG2 . 17879 1 110 . 1 1 9 9 GLU HG3 H 1 1.982 0.000 . 2 . . . A 8 GLU HG3 . 17879 1 111 . 1 1 9 9 GLU C C 13 176.068 0.000 . 1 . . . A 8 GLU C . 17879 1 112 . 1 1 9 9 GLU CA C 13 58.137 0.000 . 1 . . . A 8 GLU CA . 17879 1 113 . 1 1 9 9 GLU CB C 13 30.965 0.004 . 1 . . . A 8 GLU CB . 17879 1 114 . 1 1 9 9 GLU CG C 13 36.287 0.002 . 1 . . . A 8 GLU CG . 17879 1 115 . 1 1 9 9 GLU N N 15 122.296 0.000 . 1 . . . A 8 GLU N . 17879 1 116 . 1 1 10 10 TYR H H 1 7.052 0.000 . 1 . . . A 9 TYR H . 17879 1 117 . 1 1 10 10 TYR HA H 1 5.066 0.000 . 1 . . . A 9 TYR HA . 17879 1 118 . 1 1 10 10 TYR HB2 H 1 2.035 0.000 . 2 . . . A 9 TYR HB2 . 17879 1 119 . 1 1 10 10 TYR HB3 H 1 2.546 0.000 . 2 . . . A 9 TYR HB3 . 17879 1 120 . 1 1 10 10 TYR HD1 H 1 6.551 0.000 . 3 . . . A 9 TYR HD1 . 17879 1 121 . 1 1 10 10 TYR HD2 H 1 6.551 0.000 . 3 . . . A 9 TYR HD2 . 17879 1 122 . 1 1 10 10 TYR HE1 H 1 6.730 0.000 . 3 . . . A 9 TYR HE1 . 17879 1 123 . 1 1 10 10 TYR HE2 H 1 6.730 0.000 . 3 . . . A 9 TYR HE2 . 17879 1 124 . 1 1 10 10 TYR CA C 13 53.958 0.000 . 1 . . . A 9 TYR CA . 17879 1 125 . 1 1 10 10 TYR CB C 13 41.055 0.047 . 1 . . . A 9 TYR CB . 17879 1 126 . 1 1 10 10 TYR CD2 C 13 133.697 0.000 . 3 . . . A 9 TYR CD2 . 17879 1 127 . 1 1 10 10 TYR CE2 C 13 118.410 0.000 . 3 . . . A 9 TYR CE2 . 17879 1 128 . 1 1 10 10 TYR N N 15 115.131 0.000 . 1 . . . A 9 TYR N . 17879 1 129 . 1 1 11 11 PRO HA H 1 4.708 0.000 . 1 . . . A 10 PRO HA . 17879 1 130 . 1 1 11 11 PRO HB2 H 1 2.620 0.000 . 2 . . . A 10 PRO HB2 . 17879 1 131 . 1 1 11 11 PRO HB3 H 1 2.160 0.000 . 2 . . . A 10 PRO HB3 . 17879 1 132 . 1 1 11 11 PRO HG2 H 1 2.101 0.000 . 2 . . . A 10 PRO HG2 . 17879 1 133 . 1 1 11 11 PRO HG3 H 1 2.237 0.000 . 2 . . . A 10 PRO HG3 . 17879 1 134 . 1 1 11 11 PRO HD2 H 1 3.699 0.000 . 2 . . . A 10 PRO HD2 . 17879 1 135 . 1 1 11 11 PRO HD3 H 1 4.069 0.000 . 2 . . . A 10 PRO HD3 . 17879 1 136 . 1 1 11 11 PRO C C 13 177.384 0.000 . 1 . . . A 10 PRO C . 17879 1 137 . 1 1 11 11 PRO CA C 13 62.279 0.000 . 1 . . . A 10 PRO CA . 17879 1 138 . 1 1 11 11 PRO CB C 13 33.087 0.004 . 1 . . . A 10 PRO CB . 17879 1 139 . 1 1 11 11 PRO CG C 13 27.764 0.003 . 1 . . . A 10 PRO CG . 17879 1 140 . 1 1 11 11 PRO CD C 13 51.233 0.002 . 1 . . . A 10 PRO CD . 17879 1 141 . 1 1 12 12 PHE H H 1 9.385 0.000 . 1 . . . A 11 PHE H . 17879 1 142 . 1 1 12 12 PHE HA H 1 3.883 0.000 . 1 . . . A 11 PHE HA . 17879 1 143 . 1 1 12 12 PHE HB2 H 1 3.017 0.000 . 2 . . . A 11 PHE HB2 . 17879 1 144 . 1 1 12 12 PHE HB3 H 1 3.466 0.000 . 2 . . . A 11 PHE HB3 . 17879 1 145 . 1 1 12 12 PHE HD1 H 1 7.340 0.001 . 3 . . . A 11 PHE HD1 . 17879 1 146 . 1 1 12 12 PHE HD2 H 1 7.340 0.001 . 3 . . . A 11 PHE HD2 . 17879 1 147 . 1 1 12 12 PHE HE1 H 1 7.255 0.000 . 3 . . . A 11 PHE HE1 . 17879 1 148 . 1 1 12 12 PHE HE2 H 1 7.255 0.000 . 3 . . . A 11 PHE HE2 . 17879 1 149 . 1 1 12 12 PHE HZ H 1 7.159 0.000 . 1 . . . A 11 PHE HZ . 17879 1 150 . 1 1 12 12 PHE C C 13 176.157 0.000 . 1 . . . A 11 PHE C . 17879 1 151 . 1 1 12 12 PHE CA C 13 63.156 0.000 . 1 . . . A 11 PHE CA . 17879 1 152 . 1 1 12 12 PHE CB C 13 39.935 0.003 . 1 . . . A 11 PHE CB . 17879 1 153 . 1 1 12 12 PHE CD1 C 13 132.334 0.000 . 3 . . . A 11 PHE CD1 . 17879 1 154 . 1 1 12 12 PHE CE1 C 13 131.215 0.000 . 3 . . . A 11 PHE CE1 . 17879 1 155 . 1 1 12 12 PHE CZ C 13 129.501 0.000 . 1 . . . A 11 PHE CZ . 17879 1 156 . 1 1 12 12 PHE N N 15 125.307 0.000 . 1 . . . A 11 PHE N . 17879 1 157 . 1 1 13 13 GLU H H 1 9.800 0.000 . 1 . . . A 12 GLU H . 17879 1 158 . 1 1 13 13 GLU HA H 1 3.857 0.000 . 1 . . . A 12 GLU HA . 17879 1 159 . 1 1 13 13 GLU HB2 H 1 2.119 0.000 . 2 . . . A 12 GLU HB2 . 17879 1 160 . 1 1 13 13 GLU HB3 H 1 2.119 0.000 . 2 . . . A 12 GLU HB3 . 17879 1 161 . 1 1 13 13 GLU HG2 H 1 2.494 0.000 . 2 . . . A 12 GLU HG2 . 17879 1 162 . 1 1 13 13 GLU HG3 H 1 2.537 0.000 . 2 . . . A 12 GLU HG3 . 17879 1 163 . 1 1 13 13 GLU C C 13 179.598 0.000 . 1 . . . A 12 GLU C . 17879 1 164 . 1 1 13 13 GLU CA C 13 60.317 0.000 . 1 . . . A 12 GLU CA . 17879 1 165 . 1 1 13 13 GLU CB C 13 28.642 0.000 . 1 . . . A 12 GLU CB . 17879 1 166 . 1 1 13 13 GLU CG C 13 36.817 0.000 . 1 . . . A 12 GLU CG . 17879 1 167 . 1 1 13 13 GLU N N 15 115.356 0.000 . 1 . . . A 12 GLU N . 17879 1 168 . 1 1 14 14 LYS H H 1 7.160 0.000 . 1 . . . A 13 LYS H . 17879 1 169 . 1 1 14 14 LYS HA H 1 4.246 0.000 . 1 . . . A 13 LYS HA . 17879 1 170 . 1 1 14 14 LYS HB2 H 1 1.886 0.000 . 2 . . . A 13 LYS HB2 . 17879 1 171 . 1 1 14 14 LYS HB3 H 1 1.986 0.000 . 2 . . . A 13 LYS HB3 . 17879 1 172 . 1 1 14 14 LYS HG2 H 1 1.509 0.000 . 2 . . . A 13 LYS HG2 . 17879 1 173 . 1 1 14 14 LYS HG3 H 1 1.632 0.000 . 2 . . . A 13 LYS HG3 . 17879 1 174 . 1 1 14 14 LYS HD2 H 1 1.772 0.000 . 2 . . . A 13 LYS HD2 . 17879 1 175 . 1 1 14 14 LYS HD3 H 1 1.772 0.000 . 2 . . . A 13 LYS HD3 . 17879 1 176 . 1 1 14 14 LYS HE2 H 1 3.014 0.000 . 2 . . . A 13 LYS HE2 . 17879 1 177 . 1 1 14 14 LYS HE3 H 1 3.014 0.000 . 2 . . . A 13 LYS HE3 . 17879 1 178 . 1 1 14 14 LYS C C 13 178.804 0.000 . 1 . . . A 13 LYS C . 17879 1 179 . 1 1 14 14 LYS CA C 13 58.143 0.000 . 1 . . . A 13 LYS CA . 17879 1 180 . 1 1 14 14 LYS CB C 13 32.770 0.001 . 1 . . . A 13 LYS CB . 17879 1 181 . 1 1 14 14 LYS CG C 13 25.383 0.007 . 1 . . . A 13 LYS CG . 17879 1 182 . 1 1 14 14 LYS CD C 13 29.128 0.000 . 1 . . . A 13 LYS CD . 17879 1 183 . 1 1 14 14 LYS CE C 13 42.030 0.000 . 1 . . . A 13 LYS CE . 17879 1 184 . 1 1 14 14 LYS N N 15 118.194 0.000 . 1 . . . A 13 LYS N . 17879 1 185 . 1 1 15 15 ARG H H 1 7.686 0.000 . 1 . . . A 14 ARG H . 17879 1 186 . 1 1 15 15 ARG HA H 1 3.892 0.000 . 1 . . . A 14 ARG HA . 17879 1 187 . 1 1 15 15 ARG HB2 H 1 2.078 0.000 . 2 . . . A 14 ARG HB2 . 17879 1 188 . 1 1 15 15 ARG HB3 H 1 2.078 0.000 . 2 . . . A 14 ARG HB3 . 17879 1 189 . 1 1 15 15 ARG C C 13 176.858 0.000 . 1 . . . A 14 ARG C . 17879 1 190 . 1 1 15 15 ARG CA C 13 61.520 0.000 . 1 . . . A 14 ARG CA . 17879 1 191 . 1 1 15 15 ARG CB C 13 32.840 0.000 . 1 . . . A 14 ARG CB . 17879 1 192 . 1 1 15 15 ARG N N 15 120.949 0.000 . 1 . . . A 14 ARG N . 17879 1 193 . 1 1 16 16 LYS H H 1 8.667 0.000 . 1 . . . A 15 LYS H . 17879 1 194 . 1 1 16 16 LYS HA H 1 4.449 0.000 . 1 . . . A 15 LYS HA . 17879 1 195 . 1 1 16 16 LYS HB2 H 1 0.924 0.000 . 2 . . . A 15 LYS HB2 . 17879 1 196 . 1 1 16 16 LYS HB3 H 1 1.530 0.000 . 2 . . . A 15 LYS HB3 . 17879 1 197 . 1 1 16 16 LYS HG2 H 1 1.320 0.000 . 2 . . . A 15 LYS HG2 . 17879 1 198 . 1 1 16 16 LYS HG3 H 1 1.365 0.000 . 2 . . . A 15 LYS HG3 . 17879 1 199 . 1 1 16 16 LYS HD2 H 1 1.617 0.000 . 2 . . . A 15 LYS HD2 . 17879 1 200 . 1 1 16 16 LYS HD3 H 1 1.704 0.000 . 2 . . . A 15 LYS HD3 . 17879 1 201 . 1 1 16 16 LYS HE2 H 1 3.036 0.000 . 2 . . . A 15 LYS HE2 . 17879 1 202 . 1 1 16 16 LYS HE3 H 1 3.092 0.000 . 2 . . . A 15 LYS HE3 . 17879 1 203 . 1 1 16 16 LYS C C 13 177.796 0.000 . 1 . . . A 15 LYS C . 17879 1 204 . 1 1 16 16 LYS CA C 13 57.366 0.000 . 1 . . . A 15 LYS CA . 17879 1 205 . 1 1 16 16 LYS CB C 13 32.529 0.002 . 1 . . . A 15 LYS CB . 17879 1 206 . 1 1 16 16 LYS CG C 13 24.407 0.000 . 1 . . . A 15 LYS CG . 17879 1 207 . 1 1 16 16 LYS CD C 13 29.409 0.004 . 1 . . . A 15 LYS CD . 17879 1 208 . 1 1 16 16 LYS CE C 13 42.605 0.005 . 1 . . . A 15 LYS CE . 17879 1 209 . 1 1 16 16 LYS N N 15 119.224 0.000 . 1 . . . A 15 LYS N . 17879 1 210 . 1 1 17 17 ALA H H 1 7.305 0.000 . 1 . . . A 16 ALA H . 17879 1 211 . 1 1 17 17 ALA HA H 1 4.164 0.000 . 1 . . . A 16 ALA HA . 17879 1 212 . 1 1 17 17 ALA HB1 H 1 1.538 0.000 . . . . . A 16 ALA HB1 . 17879 1 213 . 1 1 17 17 ALA HB2 H 1 1.538 0.000 . . . . . A 16 ALA HB2 . 17879 1 214 . 1 1 17 17 ALA HB3 H 1 1.538 0.000 . . . . . A 16 ALA HB3 . 17879 1 215 . 1 1 17 17 ALA C C 13 180.641 0.000 . 1 . . . A 16 ALA C . 17879 1 216 . 1 1 17 17 ALA CA C 13 54.627 0.000 . 1 . . . A 16 ALA CA . 17879 1 217 . 1 1 17 17 ALA CB C 13 18.114 0.000 . 1 . . . A 16 ALA CB . 17879 1 218 . 1 1 17 17 ALA N N 15 117.777 0.000 . 1 . . . A 16 ALA N . 17879 1 219 . 1 1 18 18 GLU H H 1 7.849 0.000 . 1 . . . A 17 GLU H . 17879 1 220 . 1 1 18 18 GLU HA H 1 4.695 0.000 . 1 . . . A 17 GLU HA . 17879 1 221 . 1 1 18 18 GLU HB2 H 1 2.244 0.000 . 2 . . . A 17 GLU HB2 . 17879 1 222 . 1 1 18 18 GLU HB3 H 1 2.361 0.000 . 2 . . . A 17 GLU HB3 . 17879 1 223 . 1 1 18 18 GLU HG2 H 1 2.454 0.000 . 2 . . . A 17 GLU HG2 . 17879 1 224 . 1 1 18 18 GLU HG3 H 1 2.454 0.000 . 2 . . . A 17 GLU HG3 . 17879 1 225 . 1 1 18 18 GLU C C 13 178.339 0.000 . 1 . . . A 17 GLU C . 17879 1 226 . 1 1 18 18 GLU CA C 13 58.173 0.000 . 1 . . . A 17 GLU CA . 17879 1 227 . 1 1 18 18 GLU CB C 13 28.765 0.013 . 1 . . . A 17 GLU CB . 17879 1 228 . 1 1 18 18 GLU CG C 13 35.594 0.000 . 1 . . . A 17 GLU CG . 17879 1 229 . 1 1 18 18 GLU N N 15 119.934 0.000 . 1 . . . A 17 GLU N . 17879 1 230 . 1 1 19 19 SER H H 1 8.785 0.000 . 1 . . . A 18 SER H . 17879 1 231 . 1 1 19 19 SER HA H 1 3.542 0.000 . 1 . . . A 18 SER HA . 17879 1 232 . 1 1 19 19 SER HB2 H 1 3.020 0.000 . 2 . . . A 18 SER HB2 . 17879 1 233 . 1 1 19 19 SER HB3 H 1 3.297 0.000 . 2 . . . A 18 SER HB3 . 17879 1 234 . 1 1 19 19 SER HG H 1 6.435 0.000 . 1 . . . A 18 SER HG . 17879 1 235 . 1 1 19 19 SER C C 13 178.206 0.000 . 1 . . . A 18 SER C . 17879 1 236 . 1 1 19 19 SER CA C 13 62.108 0.000 . 1 . . . A 18 SER CA . 17879 1 237 . 1 1 19 19 SER CB C 13 59.839 0.002 . 1 . . . A 18 SER CB . 17879 1 238 . 1 1 19 19 SER N N 15 117.685 0.000 . 1 . . . A 18 SER N . 17879 1 239 . 1 1 20 20 GLU H H 1 8.052 0.000 . 1 . . . A 19 GLU H . 17879 1 240 . 1 1 20 20 GLU HA H 1 3.988 0.000 . 1 . . . A 19 GLU HA . 17879 1 241 . 1 1 20 20 GLU HB2 H 1 1.981 0.000 . 2 . . . A 19 GLU HB2 . 17879 1 242 . 1 1 20 20 GLU HB3 H 1 2.191 0.000 . 2 . . . A 19 GLU HB3 . 17879 1 243 . 1 1 20 20 GLU HG2 H 1 2.201 0.000 . 2 . . . A 19 GLU HG2 . 17879 1 244 . 1 1 20 20 GLU HG3 H 1 2.566 0.000 . 2 . . . A 19 GLU HG3 . 17879 1 245 . 1 1 20 20 GLU C C 13 178.788 0.000 . 1 . . . A 19 GLU C . 17879 1 246 . 1 1 20 20 GLU CA C 13 59.701 0.000 . 1 . . . A 19 GLU CA . 17879 1 247 . 1 1 20 20 GLU CB C 13 29.318 0.009 . 1 . . . A 19 GLU CB . 17879 1 248 . 1 1 20 20 GLU CG C 13 36.996 0.004 . 1 . . . A 19 GLU CG . 17879 1 249 . 1 1 20 20 GLU N N 15 124.346 0.000 . 1 . . . A 19 GLU N . 17879 1 250 . 1 1 21 21 ARG H H 1 7.958 0.000 . 1 . . . A 20 ARG H . 17879 1 251 . 1 1 21 21 ARG HA H 1 4.093 0.000 . 1 . . . A 20 ARG HA . 17879 1 252 . 1 1 21 21 ARG HB2 H 1 2.016 0.000 . 2 . . . A 20 ARG HB2 . 17879 1 253 . 1 1 21 21 ARG HB3 H 1 2.177 0.000 . 2 . . . A 20 ARG HB3 . 17879 1 254 . 1 1 21 21 ARG HG2 H 1 1.415 0.000 . 2 . . . A 20 ARG HG2 . 17879 1 255 . 1 1 21 21 ARG HG3 H 1 1.756 0.000 . 2 . . . A 20 ARG HG3 . 17879 1 256 . 1 1 21 21 ARG HD2 H 1 3.092 0.000 . 2 . . . A 20 ARG HD2 . 17879 1 257 . 1 1 21 21 ARG HD3 H 1 3.432 0.000 . 2 . . . A 20 ARG HD3 . 17879 1 258 . 1 1 21 21 ARG HE H 1 8.217 0.000 . 1 . . . A 20 ARG HE . 17879 1 259 . 1 1 21 21 ARG C C 13 179.458 0.000 . 1 . . . A 20 ARG C . 17879 1 260 . 1 1 21 21 ARG CA C 13 59.500 0.000 . 1 . . . A 20 ARG CA . 17879 1 261 . 1 1 21 21 ARG CB C 13 30.412 0.005 . 1 . . . A 20 ARG CB . 17879 1 262 . 1 1 21 21 ARG CG C 13 27.530 0.000 . 1 . . . A 20 ARG CG . 17879 1 263 . 1 1 21 21 ARG CD C 13 43.030 0.012 . 1 . . . A 20 ARG CD . 17879 1 264 . 1 1 21 21 ARG CZ C 13 160.022 0.000 . 1 . . . A 20 ARG CZ . 17879 1 265 . 1 1 21 21 ARG N N 15 122.089 0.000 . 1 . . . A 20 ARG N . 17879 1 266 . 1 1 21 21 ARG NE N 15 83.558 0.000 . 1 . . . A 20 ARG NE . 17879 1 267 . 1 1 22 22 ILE H H 1 8.277 0.000 . 1 . . . A 21 ILE H . 17879 1 268 . 1 1 22 22 ILE HA H 1 3.623 0.000 . 1 . . . A 21 ILE HA . 17879 1 269 . 1 1 22 22 ILE HB H 1 1.738 0.000 . 1 . . . A 21 ILE HB . 17879 1 270 . 1 1 22 22 ILE HG12 H 1 1.016 0.000 . 2 . . . A 21 ILE HG12 . 17879 1 271 . 1 1 22 22 ILE HG13 H 1 1.752 0.000 . 2 . . . A 21 ILE HG13 . 17879 1 272 . 1 1 22 22 ILE HG21 H 1 0.800 0.000 . . . . . A 21 ILE HG21 . 17879 1 273 . 1 1 22 22 ILE HG22 H 1 0.800 0.000 . . . . . A 21 ILE HG22 . 17879 1 274 . 1 1 22 22 ILE HG23 H 1 0.800 0.000 . . . . . A 21 ILE HG23 . 17879 1 275 . 1 1 22 22 ILE HD11 H 1 0.740 0.000 . . . . . A 21 ILE HD11 . 17879 1 276 . 1 1 22 22 ILE HD12 H 1 0.740 0.000 . . . . . A 21 ILE HD12 . 17879 1 277 . 1 1 22 22 ILE HD13 H 1 0.740 0.000 . . . . . A 21 ILE HD13 . 17879 1 278 . 1 1 22 22 ILE C C 13 176.842 0.000 . 1 . . . A 21 ILE C . 17879 1 279 . 1 1 22 22 ILE CA C 13 65.145 0.000 . 1 . . . A 21 ILE CA . 17879 1 280 . 1 1 22 22 ILE CB C 13 38.195 0.000 . 1 . . . A 21 ILE CB . 17879 1 281 . 1 1 22 22 ILE CG1 C 13 29.619 0.000 . 1 . . . A 21 ILE CG1 . 17879 1 282 . 1 1 22 22 ILE CG2 C 13 17.801 0.000 . 1 . . . A 21 ILE CG2 . 17879 1 283 . 1 1 22 22 ILE CD1 C 13 14.221 0.000 . 1 . . . A 21 ILE CD1 . 17879 1 284 . 1 1 22 22 ILE N N 15 119.893 0.000 . 1 . . . A 21 ILE N . 17879 1 285 . 1 1 23 23 ALA H H 1 7.962 0.000 . 1 . . . A 22 ALA H . 17879 1 286 . 1 1 23 23 ALA HA H 1 4.071 0.000 . 1 . . . A 22 ALA HA . 17879 1 287 . 1 1 23 23 ALA HB1 H 1 1.459 0.000 . . . . . A 22 ALA HB1 . 17879 1 288 . 1 1 23 23 ALA HB2 H 1 1.459 0.000 . . . . . A 22 ALA HB2 . 17879 1 289 . 1 1 23 23 ALA HB3 H 1 1.459 0.000 . . . . . A 22 ALA HB3 . 17879 1 290 . 1 1 23 23 ALA C C 13 179.199 0.000 . 1 . . . A 22 ALA C . 17879 1 291 . 1 1 23 23 ALA CA C 13 54.519 0.000 . 1 . . . A 22 ALA CA . 17879 1 292 . 1 1 23 23 ALA CB C 13 18.001 0.000 . 1 . . . A 22 ALA CB . 17879 1 293 . 1 1 23 23 ALA N N 15 121.816 0.000 . 1 . . . A 22 ALA N . 17879 1 294 . 1 1 24 24 ASP H H 1 7.368 0.000 . 1 . . . A 23 ASP H . 17879 1 295 . 1 1 24 24 ASP HA H 1 4.401 0.000 . 1 . . . A 23 ASP HA . 17879 1 296 . 1 1 24 24 ASP HB2 H 1 2.669 0.000 . 2 . . . A 23 ASP HB2 . 17879 1 297 . 1 1 24 24 ASP HB3 H 1 2.717 0.000 . 2 . . . A 23 ASP HB3 . 17879 1 298 . 1 1 24 24 ASP C C 13 177.324 0.000 . 1 . . . A 23 ASP C . 17879 1 299 . 1 1 24 24 ASP CA C 13 56.248 0.000 . 1 . . . A 23 ASP CA . 17879 1 300 . 1 1 24 24 ASP CB C 13 42.193 0.000 . 1 . . . A 23 ASP CB . 17879 1 301 . 1 1 24 24 ASP N N 15 114.866 0.000 . 1 . . . A 23 ASP N . 17879 1 302 . 1 1 25 25 ARG H H 1 7.815 0.000 . 1 . . . A 24 ARG H . 17879 1 303 . 1 1 25 25 ARG HA H 1 3.922 0.000 . 1 . . . A 24 ARG HA . 17879 1 304 . 1 1 25 25 ARG HB2 H 1 1.167 0.000 . 2 . . . A 24 ARG HB2 . 17879 1 305 . 1 1 25 25 ARG HB3 H 1 1.489 0.000 . 2 . . . A 24 ARG HB3 . 17879 1 306 . 1 1 25 25 ARG HG2 H 1 1.122 0.000 . 2 . . . A 24 ARG HG2 . 17879 1 307 . 1 1 25 25 ARG HG3 H 1 1.184 0.000 . 2 . . . A 24 ARG HG3 . 17879 1 308 . 1 1 25 25 ARG HD2 H 1 2.929 0.000 . 2 . . . A 24 ARG HD2 . 17879 1 309 . 1 1 25 25 ARG HD3 H 1 3.009 0.000 . 2 . . . A 24 ARG HD3 . 17879 1 310 . 1 1 25 25 ARG HE H 1 7.130 0.000 . 1 . . . A 24 ARG HE . 17879 1 311 . 1 1 25 25 ARG C C 13 176.266 0.000 . 1 . . . A 24 ARG C . 17879 1 312 . 1 1 25 25 ARG CA C 13 57.158 0.000 . 1 . . . A 24 ARG CA . 17879 1 313 . 1 1 25 25 ARG CB C 13 31.477 0.001 . 1 . . . A 24 ARG CB . 17879 1 314 . 1 1 25 25 ARG CG C 13 26.849 0.005 . 1 . . . A 24 ARG CG . 17879 1 315 . 1 1 25 25 ARG CD C 13 42.799 0.001 . 1 . . . A 24 ARG CD . 17879 1 316 . 1 1 25 25 ARG CZ C 13 159.504 0.000 . 1 . . . A 24 ARG CZ . 17879 1 317 . 1 1 25 25 ARG N N 15 116.868 0.000 . 1 . . . A 24 ARG N . 17879 1 318 . 1 1 25 25 ARG NE N 15 84.763 0.000 . 1 . . . A 24 ARG NE . 17879 1 319 . 1 1 26 26 PHE H H 1 8.658 0.000 . 1 . . . A 25 PHE H . 17879 1 320 . 1 1 26 26 PHE HA H 1 5.084 0.000 . 1 . . . A 25 PHE HA . 17879 1 321 . 1 1 26 26 PHE HB2 H 1 2.727 0.000 . 2 . . . A 25 PHE HB2 . 17879 1 322 . 1 1 26 26 PHE HB3 H 1 2.935 0.000 . 2 . . . A 25 PHE HB3 . 17879 1 323 . 1 1 26 26 PHE HD1 H 1 7.185 0.002 . 3 . . . A 25 PHE HD1 . 17879 1 324 . 1 1 26 26 PHE HD2 H 1 7.185 0.002 . 3 . . . A 25 PHE HD2 . 17879 1 325 . 1 1 26 26 PHE HE1 H 1 7.248 0.000 . 3 . . . A 25 PHE HE1 . 17879 1 326 . 1 1 26 26 PHE HE2 H 1 7.248 0.000 . 3 . . . A 25 PHE HE2 . 17879 1 327 . 1 1 26 26 PHE HZ H 1 7.206 0.000 . 1 . . . A 25 PHE HZ . 17879 1 328 . 1 1 26 26 PHE CA C 13 54.304 0.000 . 1 . . . A 25 PHE CA . 17879 1 329 . 1 1 26 26 PHE CB C 13 39.026 0.019 . 1 . . . A 25 PHE CB . 17879 1 330 . 1 1 26 26 PHE CD2 C 13 132.591 0.000 . 3 . . . A 25 PHE CD2 . 17879 1 331 . 1 1 26 26 PHE CE2 C 13 131.393 0.000 . 3 . . . A 25 PHE CE2 . 17879 1 332 . 1 1 26 26 PHE CZ C 13 129.767 0.000 . 1 . . . A 25 PHE CZ . 17879 1 333 . 1 1 26 26 PHE N N 15 116.737 0.000 . 1 . . . A 25 PHE N . 17879 1 334 . 1 1 27 27 PRO HA H 1 4.503 0.000 . 1 . . . A 26 PRO HA . 17879 1 335 . 1 1 27 27 PRO HB2 H 1 2.413 0.000 . 2 . . . A 26 PRO HB2 . 17879 1 336 . 1 1 27 27 PRO HB3 H 1 1.901 0.000 . 2 . . . A 26 PRO HB3 . 17879 1 337 . 1 1 27 27 PRO HG2 H 1 1.913 0.000 . 2 . . . A 26 PRO HG2 . 17879 1 338 . 1 1 27 27 PRO HG3 H 1 2.008 0.000 . 2 . . . A 26 PRO HG3 . 17879 1 339 . 1 1 27 27 PRO HD2 H 1 3.270 0.000 . 2 . . . A 26 PRO HD2 . 17879 1 340 . 1 1 27 27 PRO HD3 H 1 3.587 0.000 . 2 . . . A 26 PRO HD3 . 17879 1 341 . 1 1 27 27 PRO C C 13 177.538 0.000 . 1 . . . A 26 PRO C . 17879 1 342 . 1 1 27 27 PRO CA C 13 64.394 0.000 . 1 . . . A 26 PRO CA . 17879 1 343 . 1 1 27 27 PRO CB C 13 31.961 0.010 . 1 . . . A 26 PRO CB . 17879 1 344 . 1 1 27 27 PRO CG C 13 27.331 0.008 . 1 . . . A 26 PRO CG . 17879 1 345 . 1 1 27 27 PRO CD C 13 50.166 0.006 . 1 . . . A 26 PRO CD . 17879 1 346 . 1 1 28 28 ASN H H 1 8.537 0.000 . 1 . . . A 27 ASN H . 17879 1 347 . 1 1 28 28 ASN HA H 1 4.725 0.000 . 1 . . . A 27 ASN HA . 17879 1 348 . 1 1 28 28 ASN HB2 H 1 2.933 0.000 . 2 . . . A 27 ASN HB2 . 17879 1 349 . 1 1 28 28 ASN HB3 H 1 2.966 0.000 . 2 . . . A 27 ASN HB3 . 17879 1 350 . 1 1 28 28 ASN HD21 H 1 7.615 0.001 . 2 . . . A 27 ASN HD21 . 17879 1 351 . 1 1 28 28 ASN HD22 H 1 6.998 0.001 . 2 . . . A 27 ASN HD22 . 17879 1 352 . 1 1 28 28 ASN C C 13 174.678 0.000 . 1 . . . A 27 ASN C . 17879 1 353 . 1 1 28 28 ASN CA C 13 52.868 0.000 . 1 . . . A 27 ASN CA . 17879 1 354 . 1 1 28 28 ASN CB C 13 38.331 0.002 . 1 . . . A 27 ASN CB . 17879 1 355 . 1 1 28 28 ASN CG C 13 178.019 0.016 . 1 . . . A 27 ASN CG . 17879 1 356 . 1 1 28 28 ASN N N 15 114.596 0.000 . 1 . . . A 27 ASN N . 17879 1 357 . 1 1 28 28 ASN ND2 N 15 113.142 0.000 . 1 . . . A 27 ASN ND2 . 17879 1 358 . 1 1 29 29 ARG H H 1 7.580 0.000 . 1 . . . A 28 ARG H . 17879 1 359 . 1 1 29 29 ARG HA H 1 4.769 0.000 . 1 . . . A 28 ARG HA . 17879 1 360 . 1 1 29 29 ARG HB2 H 1 0.958 0.000 . 2 . . . A 28 ARG HB2 . 17879 1 361 . 1 1 29 29 ARG HB3 H 1 1.616 0.000 . 2 . . . A 28 ARG HB3 . 17879 1 362 . 1 1 29 29 ARG HG2 H 1 1.383 0.000 . 2 . . . A 28 ARG HG2 . 17879 1 363 . 1 1 29 29 ARG HG3 H 1 1.383 0.000 . 2 . . . A 28 ARG HG3 . 17879 1 364 . 1 1 29 29 ARG HD2 H 1 2.493 0.000 . 2 . . . A 28 ARG HD2 . 17879 1 365 . 1 1 29 29 ARG HD3 H 1 2.752 0.000 . 2 . . . A 28 ARG HD3 . 17879 1 366 . 1 1 29 29 ARG HE H 1 7.244 0.000 . 1 . . . A 28 ARG HE . 17879 1 367 . 1 1 29 29 ARG C C 13 174.469 0.000 . 1 . . . A 28 ARG C . 17879 1 368 . 1 1 29 29 ARG CA C 13 52.948 0.000 . 1 . . . A 28 ARG CA . 17879 1 369 . 1 1 29 29 ARG CB C 13 32.941 0.003 . 1 . . . A 28 ARG CB . 17879 1 370 . 1 1 29 29 ARG CG C 13 27.467 0.000 . 1 . . . A 28 ARG CG . 17879 1 371 . 1 1 29 29 ARG CD C 13 42.515 0.002 . 1 . . . A 28 ARG CD . 17879 1 372 . 1 1 29 29 ARG CZ C 13 159.507 0.000 . 1 . . . A 28 ARG CZ . 17879 1 373 . 1 1 29 29 ARG N N 15 116.946 0.000 . 1 . . . A 28 ARG N . 17879 1 374 . 1 1 29 29 ARG NE N 15 83.717 0.000 . 1 . . . A 28 ARG NE . 17879 1 375 . 1 1 30 30 ILE H H 1 9.262 0.000 . 1 . . . A 29 ILE H . 17879 1 376 . 1 1 30 30 ILE HA H 1 4.098 0.000 . 1 . . . A 29 ILE HA . 17879 1 377 . 1 1 30 30 ILE HB H 1 1.442 0.000 . 1 . . . A 29 ILE HB . 17879 1 378 . 1 1 30 30 ILE HG12 H 1 0.875 0.000 . 2 . . . A 29 ILE HG12 . 17879 1 379 . 1 1 30 30 ILE HG13 H 1 0.934 0.000 . 2 . . . A 29 ILE HG13 . 17879 1 380 . 1 1 30 30 ILE HG21 H 1 0.236 0.000 . . . . . A 29 ILE HG21 . 17879 1 381 . 1 1 30 30 ILE HG22 H 1 0.236 0.000 . . . . . A 29 ILE HG22 . 17879 1 382 . 1 1 30 30 ILE HG23 H 1 0.236 0.000 . . . . . A 29 ILE HG23 . 17879 1 383 . 1 1 30 30 ILE HD11 H 1 0.329 0.000 . . . . . A 29 ILE HD11 . 17879 1 384 . 1 1 30 30 ILE HD12 H 1 0.329 0.000 . . . . . A 29 ILE HD12 . 17879 1 385 . 1 1 30 30 ILE HD13 H 1 0.329 0.000 . . . . . A 29 ILE HD13 . 17879 1 386 . 1 1 30 30 ILE CA C 13 55.558 0.000 . 1 . . . A 29 ILE CA . 17879 1 387 . 1 1 30 30 ILE CB C 13 38.805 0.000 . 1 . . . A 29 ILE CB . 17879 1 388 . 1 1 30 30 ILE CG1 C 13 26.676 0.001 . 1 . . . A 29 ILE CG1 . 17879 1 389 . 1 1 30 30 ILE CG2 C 13 17.009 0.000 . 1 . . . A 29 ILE CG2 . 17879 1 390 . 1 1 30 30 ILE CD1 C 13 11.752 0.000 . 1 . . . A 29 ILE CD1 . 17879 1 391 . 1 1 30 30 ILE N N 15 121.854 0.000 . 1 . . . A 29 ILE N . 17879 1 392 . 1 1 31 31 PRO HA H 1 4.856 0.000 . 1 . . . A 30 PRO HA . 17879 1 393 . 1 1 31 31 PRO HB2 H 1 1.896 0.000 . 2 . . . A 30 PRO HB2 . 17879 1 394 . 1 1 31 31 PRO HB3 H 1 1.434 0.000 . 2 . . . A 30 PRO HB3 . 17879 1 395 . 1 1 31 31 PRO HG2 H 1 1.691 0.000 . 2 . . . A 30 PRO HG2 . 17879 1 396 . 1 1 31 31 PRO HG3 H 1 2.445 0.000 . 2 . . . A 30 PRO HG3 . 17879 1 397 . 1 1 31 31 PRO HD2 H 1 3.235 0.000 . 2 . . . A 30 PRO HD2 . 17879 1 398 . 1 1 31 31 PRO HD3 H 1 3.429 0.000 . 2 . . . A 30 PRO HD3 . 17879 1 399 . 1 1 31 31 PRO C C 13 174.121 0.000 . 1 . . . A 30 PRO C . 17879 1 400 . 1 1 31 31 PRO CA C 13 61.705 0.000 . 1 . . . A 30 PRO CA . 17879 1 401 . 1 1 31 31 PRO CB C 13 30.966 0.004 . 1 . . . A 30 PRO CB . 17879 1 402 . 1 1 31 31 PRO CG C 13 26.815 0.002 . 1 . . . A 30 PRO CG . 17879 1 403 . 1 1 31 31 PRO CD C 13 50.226 0.004 . 1 . . . A 30 PRO CD . 17879 1 404 . 1 1 32 32 VAL H H 1 9.096 0.000 . 1 . . . A 31 VAL H . 17879 1 405 . 1 1 32 32 VAL HA H 1 4.997 0.000 . 1 . . . A 31 VAL HA . 17879 1 406 . 1 1 32 32 VAL HB H 1 1.900 0.000 . 1 . . . A 31 VAL HB . 17879 1 407 . 1 1 32 32 VAL HG11 H 1 0.599 0.000 . . . . . A 31 VAL HG11 . 17879 1 408 . 1 1 32 32 VAL HG12 H 1 0.599 0.000 . . . . . A 31 VAL HG12 . 17879 1 409 . 1 1 32 32 VAL HG13 H 1 0.599 0.000 . . . . . A 31 VAL HG13 . 17879 1 410 . 1 1 32 32 VAL HG21 H 1 0.705 0.000 . . . . . A 31 VAL HG21 . 17879 1 411 . 1 1 32 32 VAL HG22 H 1 0.705 0.000 . . . . . A 31 VAL HG22 . 17879 1 412 . 1 1 32 32 VAL HG23 H 1 0.705 0.000 . . . . . A 31 VAL HG23 . 17879 1 413 . 1 1 32 32 VAL C C 13 174.181 0.000 . 1 . . . A 31 VAL C . 17879 1 414 . 1 1 32 32 VAL CA C 13 60.620 0.000 . 1 . . . A 31 VAL CA . 17879 1 415 . 1 1 32 32 VAL CB C 13 35.645 0.000 . 1 . . . A 31 VAL CB . 17879 1 416 . 1 1 32 32 VAL CG1 C 13 23.008 0.000 . 2 . . . A 31 VAL CG1 . 17879 1 417 . 1 1 32 32 VAL CG2 C 13 22.020 0.000 . 2 . . . A 31 VAL CG2 . 17879 1 418 . 1 1 32 32 VAL N N 15 127.197 0.000 . 1 . . . A 31 VAL N . 17879 1 419 . 1 1 33 33 ILE H H 1 8.775 0.000 . 1 . . . A 32 ILE H . 17879 1 420 . 1 1 33 33 ILE HA H 1 4.917 0.000 . 1 . . . A 32 ILE HA . 17879 1 421 . 1 1 33 33 ILE HB H 1 1.456 0.000 . 1 . . . A 32 ILE HB . 17879 1 422 . 1 1 33 33 ILE HG12 H 1 -0.106 0.000 . 2 . . . A 32 ILE HG12 . 17879 1 423 . 1 1 33 33 ILE HG13 H 1 0.493 0.000 . 2 . . . A 32 ILE HG13 . 17879 1 424 . 1 1 33 33 ILE HG21 H 1 0.544 0.000 . . . . . A 32 ILE HG21 . 17879 1 425 . 1 1 33 33 ILE HG22 H 1 0.544 0.000 . . . . . A 32 ILE HG22 . 17879 1 426 . 1 1 33 33 ILE HG23 H 1 0.544 0.000 . . . . . A 32 ILE HG23 . 17879 1 427 . 1 1 33 33 ILE HD11 H 1 -0.811 0.000 . . . . . A 32 ILE HD11 . 17879 1 428 . 1 1 33 33 ILE HD12 H 1 -0.811 0.000 . . . . . A 32 ILE HD12 . 17879 1 429 . 1 1 33 33 ILE HD13 H 1 -0.811 0.000 . . . . . A 32 ILE HD13 . 17879 1 430 . 1 1 33 33 ILE C C 13 174.991 0.000 . 1 . . . A 32 ILE C . 17879 1 431 . 1 1 33 33 ILE CA C 13 56.589 0.000 . 1 . . . A 32 ILE CA . 17879 1 432 . 1 1 33 33 ILE CB C 13 35.908 0.000 . 1 . . . A 32 ILE CB . 17879 1 433 . 1 1 33 33 ILE CG1 C 13 25.337 0.005 . 1 . . . A 32 ILE CG1 . 17879 1 434 . 1 1 33 33 ILE CG2 C 13 16.810 0.000 . 1 . . . A 32 ILE CG2 . 17879 1 435 . 1 1 33 33 ILE CD1 C 13 7.541 0.000 . 1 . . . A 32 ILE CD1 . 17879 1 436 . 1 1 33 33 ILE N N 15 127.157 0.000 . 1 . . . A 32 ILE N . 17879 1 437 . 1 1 34 34 CYS H H 1 9.738 0.000 . 1 . . . A 33 CYS H . 17879 1 438 . 1 1 34 34 CYS HA H 1 5.559 0.000 . 1 . . . A 33 CYS HA . 17879 1 439 . 1 1 34 34 CYS HB2 H 1 2.434 0.000 . 2 . . . A 33 CYS HB2 . 17879 1 440 . 1 1 34 34 CYS HB3 H 1 3.163 0.000 . 2 . . . A 33 CYS HB3 . 17879 1 441 . 1 1 34 34 CYS HG H 1 1.379 0.000 . 1 . . . A 33 CYS HG . 17879 1 442 . 1 1 34 34 CYS C C 13 173.218 0.000 . 1 . . . A 33 CYS C . 17879 1 443 . 1 1 34 34 CYS CA C 13 57.121 0.000 . 1 . . . A 33 CYS CA . 17879 1 444 . 1 1 34 34 CYS CB C 13 28.880 0.001 . 1 . . . A 33 CYS CB . 17879 1 445 . 1 1 34 34 CYS N N 15 129.280 0.000 . 1 . . . A 33 CYS N . 17879 1 446 . 1 1 35 35 GLU H H 1 8.531 0.000 . 1 . . . A 34 GLU H . 17879 1 447 . 1 1 35 35 GLU HA H 1 4.977 0.000 . 1 . . . A 34 GLU HA . 17879 1 448 . 1 1 35 35 GLU HB2 H 1 2.071 0.000 . 2 . . . A 34 GLU HB2 . 17879 1 449 . 1 1 35 35 GLU HB3 H 1 2.310 0.000 . 2 . . . A 34 GLU HB3 . 17879 1 450 . 1 1 35 35 GLU HG2 H 1 2.346 0.000 . 2 . . . A 34 GLU HG2 . 17879 1 451 . 1 1 35 35 GLU HG3 H 1 2.346 0.000 . 2 . . . A 34 GLU HG3 . 17879 1 452 . 1 1 35 35 GLU C C 13 174.190 0.000 . 1 . . . A 34 GLU C . 17879 1 453 . 1 1 35 35 GLU CA C 13 54.308 0.000 . 1 . . . A 34 GLU CA . 17879 1 454 . 1 1 35 35 GLU CB C 13 35.281 0.003 . 1 . . . A 34 GLU CB . 17879 1 455 . 1 1 35 35 GLU CG C 13 38.721 0.000 . 1 . . . A 34 GLU CG . 17879 1 456 . 1 1 35 35 GLU N N 15 124.130 0.000 . 1 . . . A 34 GLU N . 17879 1 457 . 1 1 36 36 LYS H H 1 8.949 0.000 . 1 . . . A 35 LYS H . 17879 1 458 . 1 1 36 36 LYS HA H 1 3.056 0.000 . 1 . . . A 35 LYS HA . 17879 1 459 . 1 1 36 36 LYS HB2 H 1 1.556 0.000 . 2 . . . A 35 LYS HB2 . 17879 1 460 . 1 1 36 36 LYS HB3 H 1 1.649 0.000 . 2 . . . A 35 LYS HB3 . 17879 1 461 . 1 1 36 36 LYS HG2 H 1 0.912 0.000 . 2 . . . A 35 LYS HG2 . 17879 1 462 . 1 1 36 36 LYS HG3 H 1 1.528 0.000 . 2 . . . A 35 LYS HG3 . 17879 1 463 . 1 1 36 36 LYS HD2 H 1 1.456 0.000 . 2 . . . A 35 LYS HD2 . 17879 1 464 . 1 1 36 36 LYS HD3 H 1 1.767 0.000 . 2 . . . A 35 LYS HD3 . 17879 1 465 . 1 1 36 36 LYS HE2 H 1 3.129 0.000 . 2 . . . A 35 LYS HE2 . 17879 1 466 . 1 1 36 36 LYS HE3 H 1 3.129 0.000 . 2 . . . A 35 LYS HE3 . 17879 1 467 . 1 1 36 36 LYS C C 13 177.452 0.000 . 1 . . . A 35 LYS C . 17879 1 468 . 1 1 36 36 LYS CA C 13 56.374 0.000 . 1 . . . A 35 LYS CA . 17879 1 469 . 1 1 36 36 LYS CB C 13 32.750 0.001 . 1 . . . A 35 LYS CB . 17879 1 470 . 1 1 36 36 LYS CG C 13 22.780 0.001 . 1 . . . A 35 LYS CG . 17879 1 471 . 1 1 36 36 LYS CD C 13 29.184 0.008 . 1 . . . A 35 LYS CD . 17879 1 472 . 1 1 36 36 LYS CE C 13 42.322 0.000 . 1 . . . A 35 LYS CE . 17879 1 473 . 1 1 36 36 LYS N N 15 123.562 0.000 . 1 . . . A 35 LYS N . 17879 1 474 . 1 1 37 37 ALA H H 1 8.561 0.000 . 1 . . . A 36 ALA H . 17879 1 475 . 1 1 37 37 ALA HA H 1 4.163 0.000 . 1 . . . A 36 ALA HA . 17879 1 476 . 1 1 37 37 ALA HB1 H 1 1.335 0.000 . . . . . A 36 ALA HB1 . 17879 1 477 . 1 1 37 37 ALA HB2 H 1 1.335 0.000 . . . . . A 36 ALA HB2 . 17879 1 478 . 1 1 37 37 ALA HB3 H 1 1.335 0.000 . . . . . A 36 ALA HB3 . 17879 1 479 . 1 1 37 37 ALA C C 13 178.375 0.000 . 1 . . . A 36 ALA C . 17879 1 480 . 1 1 37 37 ALA CA C 13 52.702 0.000 . 1 . . . A 36 ALA CA . 17879 1 481 . 1 1 37 37 ALA CB C 13 18.673 0.000 . 1 . . . A 36 ALA CB . 17879 1 482 . 1 1 37 37 ALA N N 15 129.494 0.000 . 1 . . . A 36 ALA N . 17879 1 483 . 1 1 38 38 GLU H H 1 8.648 0.000 . 1 . . . A 37 GLU H . 17879 1 484 . 1 1 38 38 GLU HA H 1 3.959 0.000 . 1 . . . A 37 GLU HA . 17879 1 485 . 1 1 38 38 GLU HB2 H 1 1.976 0.000 . 2 . . . A 37 GLU HB2 . 17879 1 486 . 1 1 38 38 GLU HB3 H 1 2.090 0.000 . 2 . . . A 37 GLU HB3 . 17879 1 487 . 1 1 38 38 GLU HG2 H 1 2.224 0.000 . 2 . . . A 37 GLU HG2 . 17879 1 488 . 1 1 38 38 GLU HG3 H 1 2.332 0.000 . 2 . . . A 37 GLU HG3 . 17879 1 489 . 1 1 38 38 GLU C C 13 177.516 0.000 . 1 . . . A 37 GLU C . 17879 1 490 . 1 1 38 38 GLU CA C 13 59.302 0.000 . 1 . . . A 37 GLU CA . 17879 1 491 . 1 1 38 38 GLU CB C 13 30.154 0.001 . 1 . . . A 37 GLU CB . 17879 1 492 . 1 1 38 38 GLU CG C 13 36.102 0.004 . 1 . . . A 37 GLU CG . 17879 1 493 . 1 1 38 38 GLU N N 15 125.115 0.000 . 1 . . . A 37 GLU N . 17879 1 494 . 1 1 39 39 LYS H H 1 8.494 0.000 . 1 . . . A 38 LYS H . 17879 1 495 . 1 1 39 39 LYS HA H 1 4.188 0.000 . 1 . . . A 38 LYS HA . 17879 1 496 . 1 1 39 39 LYS HB2 H 1 1.933 0.000 . 2 . . . A 38 LYS HB2 . 17879 1 497 . 1 1 39 39 LYS HB3 H 1 1.726 0.000 . 2 . . . A 38 LYS HB3 . 17879 1 498 . 1 1 39 39 LYS HG2 H 1 1.376 0.000 . 2 . . . A 38 LYS HG2 . 17879 1 499 . 1 1 39 39 LYS HG3 H 1 1.345 0.000 . 2 . . . A 38 LYS HG3 . 17879 1 500 . 1 1 39 39 LYS HD2 H 1 1.583 0.000 . 2 . . . A 38 LYS HD2 . 17879 1 501 . 1 1 39 39 LYS HD3 H 1 1.626 0.000 . 2 . . . A 38 LYS HD3 . 17879 1 502 . 1 1 39 39 LYS HE2 H 1 2.931 0.000 . 2 . . . A 38 LYS HE2 . 17879 1 503 . 1 1 39 39 LYS HE3 H 1 2.931 0.000 . 2 . . . A 38 LYS HE3 . 17879 1 504 . 1 1 39 39 LYS C C 13 176.244 0.000 . 1 . . . A 38 LYS C . 17879 1 505 . 1 1 39 39 LYS CA C 13 56.564 0.000 . 1 . . . A 38 LYS CA . 17879 1 506 . 1 1 39 39 LYS CB C 13 31.484 0.003 . 1 . . . A 38 LYS CB . 17879 1 507 . 1 1 39 39 LYS CG C 13 25.406 0.006 . 1 . . . A 38 LYS CG . 17879 1 508 . 1 1 39 39 LYS CD C 13 28.992 0.003 . 1 . . . A 38 LYS CD . 17879 1 509 . 1 1 39 39 LYS CE C 13 42.108 0.000 . 1 . . . A 38 LYS CE . 17879 1 510 . 1 1 39 39 LYS N N 15 115.020 0.000 . 1 . . . A 38 LYS N . 17879 1 511 . 1 1 40 40 SER H H 1 7.346 0.000 . 1 . . . A 39 SER H . 17879 1 512 . 1 1 40 40 SER HA H 1 4.535 0.000 . 1 . . . A 39 SER HA . 17879 1 513 . 1 1 40 40 SER HB2 H 1 3.726 0.000 . 2 . . . A 39 SER HB2 . 17879 1 514 . 1 1 40 40 SER HB3 H 1 4.076 0.000 . 2 . . . A 39 SER HB3 . 17879 1 515 . 1 1 40 40 SER C C 13 174.896 0.000 . 1 . . . A 39 SER C . 17879 1 516 . 1 1 40 40 SER CA C 13 57.985 0.000 . 1 . . . A 39 SER CA . 17879 1 517 . 1 1 40 40 SER CB C 13 65.000 0.016 . 1 . . . A 39 SER CB . 17879 1 518 . 1 1 40 40 SER N N 15 113.091 0.000 . 1 . . . A 39 SER N . 17879 1 519 . 1 1 41 41 ASP H H 1 8.744 0.000 . 1 . . . A 40 ASP H . 17879 1 520 . 1 1 41 41 ASP HA H 1 4.782 0.000 . 1 . . . A 40 ASP HA . 17879 1 521 . 1 1 41 41 ASP HB2 H 1 2.759 0.000 . 2 . . . A 40 ASP HB2 . 17879 1 522 . 1 1 41 41 ASP HB3 H 1 2.759 0.000 . 2 . . . A 40 ASP HB3 . 17879 1 523 . 1 1 41 41 ASP C C 13 175.205 0.000 . 1 . . . A 40 ASP C . 17879 1 524 . 1 1 41 41 ASP CA C 13 53.549 0.000 . 1 . . . A 40 ASP CA . 17879 1 525 . 1 1 41 41 ASP CB C 13 39.916 0.000 . 1 . . . A 40 ASP CB . 17879 1 526 . 1 1 41 41 ASP N N 15 127.375 0.000 . 1 . . . A 40 ASP N . 17879 1 527 . 1 1 42 42 ILE H H 1 7.649 0.000 . 1 . . . A 41 ILE H . 17879 1 528 . 1 1 42 42 ILE HA H 1 4.661 0.000 . 1 . . . A 41 ILE HA . 17879 1 529 . 1 1 42 42 ILE HB H 1 1.966 0.000 . 1 . . . A 41 ILE HB . 17879 1 530 . 1 1 42 42 ILE HG12 H 1 1.455 0.000 . 2 . . . A 41 ILE HG12 . 17879 1 531 . 1 1 42 42 ILE HG13 H 1 1.730 0.000 . 2 . . . A 41 ILE HG13 . 17879 1 532 . 1 1 42 42 ILE HG21 H 1 0.978 0.000 . . . . . A 41 ILE HG21 . 17879 1 533 . 1 1 42 42 ILE HG22 H 1 0.978 0.000 . . . . . A 41 ILE HG22 . 17879 1 534 . 1 1 42 42 ILE HG23 H 1 0.978 0.000 . . . . . A 41 ILE HG23 . 17879 1 535 . 1 1 42 42 ILE HD11 H 1 1.004 0.000 . . . . . A 41 ILE HD11 . 17879 1 536 . 1 1 42 42 ILE HD12 H 1 1.004 0.000 . . . . . A 41 ILE HD12 . 17879 1 537 . 1 1 42 42 ILE HD13 H 1 1.004 0.000 . . . . . A 41 ILE HD13 . 17879 1 538 . 1 1 42 42 ILE CA C 13 59.133 0.000 . 1 . . . A 41 ILE CA . 17879 1 539 . 1 1 42 42 ILE CB C 13 40.534 0.000 . 1 . . . A 41 ILE CB . 17879 1 540 . 1 1 42 42 ILE CG1 C 13 28.617 0.004 . 1 . . . A 41 ILE CG1 . 17879 1 541 . 1 1 42 42 ILE CG2 C 13 18.006 0.000 . 1 . . . A 41 ILE CG2 . 17879 1 542 . 1 1 42 42 ILE CD1 C 13 14.968 0.000 . 1 . . . A 41 ILE CD1 . 17879 1 543 . 1 1 42 42 ILE N N 15 122.943 0.000 . 1 . . . A 41 ILE N . 17879 1 544 . 1 1 43 43 PRO HA H 1 4.414 0.000 . 1 . . . A 42 PRO HA . 17879 1 545 . 1 1 43 43 PRO HB2 H 1 2.488 0.000 . 2 . . . A 42 PRO HB2 . 17879 1 546 . 1 1 43 43 PRO HB3 H 1 1.810 0.000 . 2 . . . A 42 PRO HB3 . 17879 1 547 . 1 1 43 43 PRO HG2 H 1 1.984 0.000 . 2 . . . A 42 PRO HG2 . 17879 1 548 . 1 1 43 43 PRO HG3 H 1 2.066 0.000 . 2 . . . A 42 PRO HG3 . 17879 1 549 . 1 1 43 43 PRO HD2 H 1 3.398 0.000 . 2 . . . A 42 PRO HD2 . 17879 1 550 . 1 1 43 43 PRO HD3 H 1 4.004 0.000 . 2 . . . A 42 PRO HD3 . 17879 1 551 . 1 1 43 43 PRO C C 13 175.952 0.000 . 1 . . . A 42 PRO C . 17879 1 552 . 1 1 43 43 PRO CA C 13 63.829 0.000 . 1 . . . A 42 PRO CA . 17879 1 553 . 1 1 43 43 PRO CB C 13 32.895 0.006 . 1 . . . A 42 PRO CB . 17879 1 554 . 1 1 43 43 PRO CG C 13 28.034 0.004 . 1 . . . A 42 PRO CG . 17879 1 555 . 1 1 43 43 PRO CD C 13 51.880 0.001 . 1 . . . A 42 PRO CD . 17879 1 556 . 1 1 44 44 GLU H H 1 8.393 0.000 . 1 . . . A 43 GLU H . 17879 1 557 . 1 1 44 44 GLU HA H 1 4.298 0.000 . 1 . . . A 43 GLU HA . 17879 1 558 . 1 1 44 44 GLU HB2 H 1 1.941 0.000 . 2 . . . A 43 GLU HB2 . 17879 1 559 . 1 1 44 44 GLU HB3 H 1 2.112 0.000 . 2 . . . A 43 GLU HB3 . 17879 1 560 . 1 1 44 44 GLU HG2 H 1 2.408 0.000 . 2 . . . A 43 GLU HG2 . 17879 1 561 . 1 1 44 44 GLU HG3 H 1 2.408 0.000 . 2 . . . A 43 GLU HG3 . 17879 1 562 . 1 1 44 44 GLU C C 13 175.316 0.000 . 1 . . . A 43 GLU C . 17879 1 563 . 1 1 44 44 GLU CA C 13 56.400 0.000 . 1 . . . A 43 GLU CA . 17879 1 564 . 1 1 44 44 GLU CB C 13 31.282 0.005 . 1 . . . A 43 GLU CB . 17879 1 565 . 1 1 44 44 GLU CG C 13 36.524 0.000 . 1 . . . A 43 GLU CG . 17879 1 566 . 1 1 44 44 GLU N N 15 120.369 0.000 . 1 . . . A 43 GLU N . 17879 1 567 . 1 1 45 45 ILE H H 1 8.067 0.000 . 1 . . . A 44 ILE H . 17879 1 568 . 1 1 45 45 ILE HA H 1 4.419 0.000 . 1 . . . A 44 ILE HA . 17879 1 569 . 1 1 45 45 ILE HB H 1 1.892 0.000 . 1 . . . A 44 ILE HB . 17879 1 570 . 1 1 45 45 ILE HG12 H 1 1.500 0.000 . 2 . . . A 44 ILE HG12 . 17879 1 571 . 1 1 45 45 ILE HG13 H 1 1.444 0.000 . 2 . . . A 44 ILE HG13 . 17879 1 572 . 1 1 45 45 ILE HG21 H 1 1.049 0.000 . . . . . A 44 ILE HG21 . 17879 1 573 . 1 1 45 45 ILE HG22 H 1 1.049 0.000 . . . . . A 44 ILE HG22 . 17879 1 574 . 1 1 45 45 ILE HG23 H 1 1.049 0.000 . . . . . A 44 ILE HG23 . 17879 1 575 . 1 1 45 45 ILE HD11 H 1 0.839 0.000 . . . . . A 44 ILE HD11 . 17879 1 576 . 1 1 45 45 ILE HD12 H 1 0.839 0.000 . . . . . A 44 ILE HD12 . 17879 1 577 . 1 1 45 45 ILE HD13 H 1 0.839 0.000 . . . . . A 44 ILE HD13 . 17879 1 578 . 1 1 45 45 ILE C C 13 174.786 0.000 . 1 . . . A 44 ILE C . 17879 1 579 . 1 1 45 45 ILE CA C 13 61.027 0.000 . 1 . . . A 44 ILE CA . 17879 1 580 . 1 1 45 45 ILE CB C 13 40.509 0.000 . 1 . . . A 44 ILE CB . 17879 1 581 . 1 1 45 45 ILE CG1 C 13 28.669 0.002 . 1 . . . A 44 ILE CG1 . 17879 1 582 . 1 1 45 45 ILE CG2 C 13 16.568 0.000 . 1 . . . A 44 ILE CG2 . 17879 1 583 . 1 1 45 45 ILE CD1 C 13 15.590 0.000 . 1 . . . A 44 ILE CD1 . 17879 1 584 . 1 1 45 45 ILE N N 15 123.670 0.000 . 1 . . . A 44 ILE N . 17879 1 585 . 1 1 46 46 ASP H H 1 8.468 0.000 . 1 . . . A 45 ASP H . 17879 1 586 . 1 1 46 46 ASP HA H 1 4.412 0.000 . 1 . . . A 45 ASP HA . 17879 1 587 . 1 1 46 46 ASP HB2 H 1 2.765 0.000 . 2 . . . A 45 ASP HB2 . 17879 1 588 . 1 1 46 46 ASP HB3 H 1 2.765 0.000 . 2 . . . A 45 ASP HB3 . 17879 1 589 . 1 1 46 46 ASP C C 13 175.494 0.000 . 1 . . . A 45 ASP C . 17879 1 590 . 1 1 46 46 ASP CA C 13 55.467 0.000 . 1 . . . A 45 ASP CA . 17879 1 591 . 1 1 46 46 ASP CB C 13 40.320 0.000 . 1 . . . A 45 ASP CB . 17879 1 592 . 1 1 46 46 ASP N N 15 123.340 0.000 . 1 . . . A 45 ASP N . 17879 1 593 . 1 1 47 47 LYS H H 1 7.319 0.000 . 1 . . . A 46 LYS H . 17879 1 594 . 1 1 47 47 LYS HA H 1 4.428 0.000 . 1 . . . A 46 LYS HA . 17879 1 595 . 1 1 47 47 LYS HB2 H 1 1.612 0.000 . 2 . . . A 46 LYS HB2 . 17879 1 596 . 1 1 47 47 LYS HB3 H 1 1.612 0.000 . 2 . . . A 46 LYS HB3 . 17879 1 597 . 1 1 47 47 LYS HG2 H 1 0.655 0.000 . 2 . . . A 46 LYS HG2 . 17879 1 598 . 1 1 47 47 LYS HG3 H 1 1.215 0.000 . 2 . . . A 46 LYS HG3 . 17879 1 599 . 1 1 47 47 LYS HD2 H 1 1.378 0.000 . 2 . . . A 46 LYS HD2 . 17879 1 600 . 1 1 47 47 LYS HD3 H 1 1.457 0.000 . 2 . . . A 46 LYS HD3 . 17879 1 601 . 1 1 47 47 LYS HE2 H 1 2.579 0.000 . 2 . . . A 46 LYS HE2 . 17879 1 602 . 1 1 47 47 LYS HE3 H 1 2.755 0.000 . 2 . . . A 46 LYS HE3 . 17879 1 603 . 1 1 47 47 LYS CA C 13 56.020 0.000 . 1 . . . A 46 LYS CA . 17879 1 604 . 1 1 47 47 LYS CB C 13 34.644 0.000 . 1 . . . A 46 LYS CB . 17879 1 605 . 1 1 47 47 LYS CG C 13 24.595 0.006 . 1 . . . A 46 LYS CG . 17879 1 606 . 1 1 47 47 LYS CD C 13 29.503 0.001 . 1 . . . A 46 LYS CD . 17879 1 607 . 1 1 47 47 LYS CE C 13 42.277 0.000 . 1 . . . A 46 LYS CE . 17879 1 608 . 1 1 47 47 LYS N N 15 121.295 0.000 . 1 . . . A 46 LYS N . 17879 1 609 . 1 1 48 48 ARG H H 1 8.558 0.000 . 1 . . . A 47 ARG H . 17879 1 610 . 1 1 48 48 ARG HA H 1 5.271 0.000 . 1 . . . A 47 ARG HA . 17879 1 611 . 1 1 48 48 ARG HB2 H 1 1.911 0.000 . 2 . . . A 47 ARG HB2 . 17879 1 612 . 1 1 48 48 ARG HB3 H 1 2.071 0.000 . 2 . . . A 47 ARG HB3 . 17879 1 613 . 1 1 48 48 ARG HG2 H 1 1.543 0.000 . 2 . . . A 47 ARG HG2 . 17879 1 614 . 1 1 48 48 ARG HG3 H 1 1.857 0.000 . 2 . . . A 47 ARG HG3 . 17879 1 615 . 1 1 48 48 ARG HD2 H 1 3.241 0.000 . 2 . . . A 47 ARG HD2 . 17879 1 616 . 1 1 48 48 ARG HD3 H 1 3.400 0.000 . 2 . . . A 47 ARG HD3 . 17879 1 617 . 1 1 48 48 ARG C C 13 173.546 0.000 . 1 . . . A 47 ARG C . 17879 1 618 . 1 1 48 48 ARG CA C 13 55.581 0.000 . 1 . . . A 47 ARG CA . 17879 1 619 . 1 1 48 48 ARG CB C 13 32.992 0.004 . 1 . . . A 47 ARG CB . 17879 1 620 . 1 1 48 48 ARG CG C 13 25.725 0.018 . 1 . . . A 47 ARG CG . 17879 1 621 . 1 1 48 48 ARG CD C 13 44.992 0.005 . 1 . . . A 47 ARG CD . 17879 1 622 . 1 1 48 48 ARG N N 15 124.949 0.000 . 1 . . . A 47 ARG N . 17879 1 623 . 1 1 49 49 LYS H H 1 7.440 0.000 . 1 . . . A 48 LYS H . 17879 1 624 . 1 1 49 49 LYS HA H 1 5.030 0.000 . 1 . . . A 48 LYS HA . 17879 1 625 . 1 1 49 49 LYS HB2 H 1 1.088 0.000 . 2 . . . A 48 LYS HB2 . 17879 1 626 . 1 1 49 49 LYS HB3 H 1 1.122 0.000 . 2 . . . A 48 LYS HB3 . 17879 1 627 . 1 1 49 49 LYS HG2 H 1 0.818 0.000 . 2 . . . A 48 LYS HG2 . 17879 1 628 . 1 1 49 49 LYS HG3 H 1 1.120 0.000 . 2 . . . A 48 LYS HG3 . 17879 1 629 . 1 1 49 49 LYS HD2 H 1 1.422 0.000 . 2 . . . A 48 LYS HD2 . 17879 1 630 . 1 1 49 49 LYS HD3 H 1 1.592 0.000 . 2 . . . A 48 LYS HD3 . 17879 1 631 . 1 1 49 49 LYS HE2 H 1 2.679 0.000 . 2 . . . A 48 LYS HE2 . 17879 1 632 . 1 1 49 49 LYS HE3 H 1 2.679 0.000 . 2 . . . A 48 LYS HE3 . 17879 1 633 . 1 1 49 49 LYS C C 13 174.301 0.000 . 1 . . . A 48 LYS C . 17879 1 634 . 1 1 49 49 LYS CA C 13 55.042 0.000 . 1 . . . A 48 LYS CA . 17879 1 635 . 1 1 49 49 LYS CB C 13 34.065 0.000 . 1 . . . A 48 LYS CB . 17879 1 636 . 1 1 49 49 LYS CG C 13 24.251 0.019 . 1 . . . A 48 LYS CG . 17879 1 637 . 1 1 49 49 LYS CD C 13 30.498 0.000 . 1 . . . A 48 LYS CD . 17879 1 638 . 1 1 49 49 LYS CE C 13 41.445 0.000 . 1 . . . A 48 LYS CE . 17879 1 639 . 1 1 49 49 LYS N N 15 122.812 0.000 . 1 . . . A 48 LYS N . 17879 1 640 . 1 1 50 50 TYR H H 1 9.590 0.000 . 1 . . . A 49 TYR H . 17879 1 641 . 1 1 50 50 TYR HA H 1 4.721 0.000 . 1 . . . A 49 TYR HA . 17879 1 642 . 1 1 50 50 TYR HB2 H 1 2.661 0.000 . 2 . . . A 49 TYR HB2 . 17879 1 643 . 1 1 50 50 TYR HB3 H 1 2.929 0.000 . 2 . . . A 49 TYR HB3 . 17879 1 644 . 1 1 50 50 TYR HD1 H 1 7.030 0.004 . 3 . . . A 49 TYR HD1 . 17879 1 645 . 1 1 50 50 TYR HD2 H 1 7.030 0.004 . 3 . . . A 49 TYR HD2 . 17879 1 646 . 1 1 50 50 TYR HE1 H 1 6.606 0.000 . 3 . . . A 49 TYR HE1 . 17879 1 647 . 1 1 50 50 TYR HE2 H 1 6.606 0.000 . 3 . . . A 49 TYR HE2 . 17879 1 648 . 1 1 50 50 TYR C C 13 173.674 0.000 . 1 . . . A 49 TYR C . 17879 1 649 . 1 1 50 50 TYR CA C 13 57.192 0.000 . 1 . . . A 49 TYR CA . 17879 1 650 . 1 1 50 50 TYR CB C 13 43.123 0.014 . 1 . . . A 49 TYR CB . 17879 1 651 . 1 1 50 50 TYR CD2 C 13 132.585 0.000 . 3 . . . A 49 TYR CD2 . 17879 1 652 . 1 1 50 50 TYR CE2 C 13 118.296 0.000 . 3 . . . A 49 TYR CE2 . 17879 1 653 . 1 1 50 50 TYR N N 15 124.842 0.000 . 1 . . . A 49 TYR N . 17879 1 654 . 1 1 51 51 LEU H H 1 8.901 0.000 . 1 . . . A 50 LEU H . 17879 1 655 . 1 1 51 51 LEU HA H 1 4.753 0.000 . 1 . . . A 50 LEU HA . 17879 1 656 . 1 1 51 51 LEU HB2 H 1 0.825 0.000 . 2 . . . A 50 LEU HB2 . 17879 1 657 . 1 1 51 51 LEU HB3 H 1 1.562 0.000 . 2 . . . A 50 LEU HB3 . 17879 1 658 . 1 1 51 51 LEU HG H 1 1.285 0.000 . 1 . . . A 50 LEU HG . 17879 1 659 . 1 1 51 51 LEU HD11 H 1 0.315 0.000 . . . . . A 50 LEU HD11 . 17879 1 660 . 1 1 51 51 LEU HD12 H 1 0.315 0.000 . . . . . A 50 LEU HD12 . 17879 1 661 . 1 1 51 51 LEU HD13 H 1 0.315 0.000 . . . . . A 50 LEU HD13 . 17879 1 662 . 1 1 51 51 LEU HD21 H 1 0.396 0.000 . . . . . A 50 LEU HD21 . 17879 1 663 . 1 1 51 51 LEU HD22 H 1 0.396 0.000 . . . . . A 50 LEU HD22 . 17879 1 664 . 1 1 51 51 LEU HD23 H 1 0.396 0.000 . . . . . A 50 LEU HD23 . 17879 1 665 . 1 1 51 51 LEU C C 13 176.050 0.000 . 1 . . . A 50 LEU C . 17879 1 666 . 1 1 51 51 LEU CA C 13 53.158 0.000 . 1 . . . A 50 LEU CA . 17879 1 667 . 1 1 51 51 LEU CB C 13 41.155 0.019 . 1 . . . A 50 LEU CB . 17879 1 668 . 1 1 51 51 LEU CG C 13 27.282 0.000 . 1 . . . A 50 LEU CG . 17879 1 669 . 1 1 51 51 LEU CD1 C 13 24.666 0.000 . 2 . . . A 50 LEU CD1 . 17879 1 670 . 1 1 51 51 LEU CD2 C 13 24.885 0.000 . 2 . . . A 50 LEU CD2 . 17879 1 671 . 1 1 51 51 LEU N N 15 124.138 0.000 . 1 . . . A 50 LEU N . 17879 1 672 . 1 1 52 52 VAL H H 1 8.513 0.000 . 1 . . . A 51 VAL H . 17879 1 673 . 1 1 52 52 VAL HA H 1 3.948 0.000 . 1 . . . A 51 VAL HA . 17879 1 674 . 1 1 52 52 VAL HB H 1 1.743 0.000 . 1 . . . A 51 VAL HB . 17879 1 675 . 1 1 52 52 VAL HG11 H 1 0.659 0.000 . . . . . A 51 VAL HG11 . 17879 1 676 . 1 1 52 52 VAL HG12 H 1 0.659 0.000 . . . . . A 51 VAL HG12 . 17879 1 677 . 1 1 52 52 VAL HG13 H 1 0.659 0.000 . . . . . A 51 VAL HG13 . 17879 1 678 . 1 1 52 52 VAL HG21 H 1 0.704 0.000 . . . . . A 51 VAL HG21 . 17879 1 679 . 1 1 52 52 VAL HG22 H 1 0.704 0.000 . . . . . A 51 VAL HG22 . 17879 1 680 . 1 1 52 52 VAL HG23 H 1 0.704 0.000 . . . . . A 51 VAL HG23 . 17879 1 681 . 1 1 52 52 VAL CA C 13 59.724 0.000 . 1 . . . A 51 VAL CA . 17879 1 682 . 1 1 52 52 VAL CB C 13 33.605 0.000 . 1 . . . A 51 VAL CB . 17879 1 683 . 1 1 52 52 VAL CG1 C 13 22.742 0.000 . 2 . . . A 51 VAL CG1 . 17879 1 684 . 1 1 52 52 VAL CG2 C 13 21.764 0.000 . 2 . . . A 51 VAL CG2 . 17879 1 685 . 1 1 52 52 VAL N N 15 123.181 0.000 . 1 . . . A 51 VAL N . 17879 1 686 . 1 1 53 53 PRO HA H 1 4.305 0.000 . 1 . . . A 52 PRO HA . 17879 1 687 . 1 1 53 53 PRO HB2 H 1 2.409 0.000 . 2 . . . A 52 PRO HB2 . 17879 1 688 . 1 1 53 53 PRO HB3 H 1 1.862 0.000 . 2 . . . A 52 PRO HB3 . 17879 1 689 . 1 1 53 53 PRO C C 13 176.607 0.000 . 1 . . . A 52 PRO C . 17879 1 690 . 1 1 53 53 PRO CA C 13 63.950 0.000 . 1 . . . A 52 PRO CA . 17879 1 691 . 1 1 53 53 PRO CB C 13 32.163 0.002 . 1 . . . A 52 PRO CB . 17879 1 692 . 1 1 54 54 ALA H H 1 7.926 0.000 . 1 . . . A 53 ALA H . 17879 1 693 . 1 1 54 54 ALA HA H 1 3.720 0.000 . 1 . . . A 53 ALA HA . 17879 1 694 . 1 1 54 54 ALA HB1 H 1 1.281 0.000 . . . . . A 53 ALA HB1 . 17879 1 695 . 1 1 54 54 ALA HB2 H 1 1.281 0.000 . . . . . A 53 ALA HB2 . 17879 1 696 . 1 1 54 54 ALA HB3 H 1 1.281 0.000 . . . . . A 53 ALA HB3 . 17879 1 697 . 1 1 54 54 ALA C C 13 176.409 0.000 . 1 . . . A 53 ALA C . 17879 1 698 . 1 1 54 54 ALA CA C 13 54.742 0.000 . 1 . . . A 53 ALA CA . 17879 1 699 . 1 1 54 54 ALA CB C 13 18.948 0.000 . 1 . . . A 53 ALA CB . 17879 1 700 . 1 1 54 54 ALA N N 15 123.771 0.000 . 1 . . . A 53 ALA N . 17879 1 701 . 1 1 55 55 ASP H H 1 8.106 0.000 . 1 . . . A 54 ASP H . 17879 1 702 . 1 1 55 55 ASP HA H 1 4.621 0.000 . 1 . . . A 54 ASP HA . 17879 1 703 . 1 1 55 55 ASP HB2 H 1 2.825 0.000 . 2 . . . A 54 ASP HB2 . 17879 1 704 . 1 1 55 55 ASP HB3 H 1 2.624 0.000 . 2 . . . A 54 ASP HB3 . 17879 1 705 . 1 1 55 55 ASP C C 13 175.823 0.000 . 1 . . . A 54 ASP C . 17879 1 706 . 1 1 55 55 ASP CA C 13 52.744 0.000 . 1 . . . A 54 ASP CA . 17879 1 707 . 1 1 55 55 ASP CB C 13 39.861 0.004 . 1 . . . A 54 ASP CB . 17879 1 708 . 1 1 55 55 ASP N N 15 111.152 0.000 . 1 . . . A 54 ASP N . 17879 1 709 . 1 1 56 56 LEU H H 1 7.295 0.000 . 1 . . . A 55 LEU H . 17879 1 710 . 1 1 56 56 LEU HA H 1 4.351 0.000 . 1 . . . A 55 LEU HA . 17879 1 711 . 1 1 56 56 LEU HB2 H 1 1.429 0.000 . 2 . . . A 55 LEU HB2 . 17879 1 712 . 1 1 56 56 LEU HB3 H 1 1.593 0.000 . 2 . . . A 55 LEU HB3 . 17879 1 713 . 1 1 56 56 LEU HG H 1 2.071 0.000 . 1 . . . A 55 LEU HG . 17879 1 714 . 1 1 56 56 LEU HD11 H 1 0.871 0.000 . . . . . A 55 LEU HD11 . 17879 1 715 . 1 1 56 56 LEU HD12 H 1 0.871 0.000 . . . . . A 55 LEU HD12 . 17879 1 716 . 1 1 56 56 LEU HD13 H 1 0.871 0.000 . . . . . A 55 LEU HD13 . 17879 1 717 . 1 1 56 56 LEU HD21 H 1 0.917 0.000 . . . . . A 55 LEU HD21 . 17879 1 718 . 1 1 56 56 LEU HD22 H 1 0.917 0.000 . . . . . A 55 LEU HD22 . 17879 1 719 . 1 1 56 56 LEU HD23 H 1 0.917 0.000 . . . . . A 55 LEU HD23 . 17879 1 720 . 1 1 56 56 LEU C C 13 177.459 0.000 . 1 . . . A 55 LEU C . 17879 1 721 . 1 1 56 56 LEU CA C 13 55.472 0.000 . 1 . . . A 55 LEU CA . 17879 1 722 . 1 1 56 56 LEU CB C 13 43.593 0.005 . 1 . . . A 55 LEU CB . 17879 1 723 . 1 1 56 56 LEU CG C 13 27.318 0.000 . 1 . . . A 55 LEU CG . 17879 1 724 . 1 1 56 56 LEU CD1 C 13 26.012 0.000 . 2 . . . A 55 LEU CD1 . 17879 1 725 . 1 1 56 56 LEU CD2 C 13 25.485 0.000 . 2 . . . A 55 LEU CD2 . 17879 1 726 . 1 1 56 56 LEU N N 15 121.263 0.000 . 1 . . . A 55 LEU N . 17879 1 727 . 1 1 57 57 THR H H 1 8.476 0.000 . 1 . . . A 56 THR H . 17879 1 728 . 1 1 57 57 THR HA H 1 5.233 0.000 . 1 . . . A 56 THR HA . 17879 1 729 . 1 1 57 57 THR HB H 1 4.776 0.000 . 1 . . . A 56 THR HB . 17879 1 730 . 1 1 57 57 THR HG1 H 1 5.625 0.000 . 1 . . . A 56 THR HG1 . 17879 1 731 . 1 1 57 57 THR HG21 H 1 1.212 0.000 . . . . . A 56 THR HG21 . 17879 1 732 . 1 1 57 57 THR HG22 H 1 1.212 0.000 . . . . . A 56 THR HG22 . 17879 1 733 . 1 1 57 57 THR HG23 H 1 1.212 0.000 . . . . . A 56 THR HG23 . 17879 1 734 . 1 1 57 57 THR C C 13 176.538 0.000 . 1 . . . A 56 THR C . 17879 1 735 . 1 1 57 57 THR CA C 13 60.318 0.000 . 1 . . . A 56 THR CA . 17879 1 736 . 1 1 57 57 THR CB C 13 71.303 0.000 . 1 . . . A 56 THR CB . 17879 1 737 . 1 1 57 57 THR CG2 C 13 22.210 0.000 . 1 . . . A 56 THR CG2 . 17879 1 738 . 1 1 57 57 THR N N 15 114.222 0.000 . 1 . . . A 56 THR N . 17879 1 739 . 1 1 58 58 VAL H H 1 8.806 0.000 . 1 . . . A 57 VAL H . 17879 1 740 . 1 1 58 58 VAL HA H 1 3.738 0.000 . 1 . . . A 57 VAL HA . 17879 1 741 . 1 1 58 58 VAL HB H 1 2.324 0.000 . 1 . . . A 57 VAL HB . 17879 1 742 . 1 1 58 58 VAL HG11 H 1 0.836 0.000 . . . . . A 57 VAL HG11 . 17879 1 743 . 1 1 58 58 VAL HG12 H 1 0.836 0.000 . . . . . A 57 VAL HG12 . 17879 1 744 . 1 1 58 58 VAL HG13 H 1 0.836 0.000 . . . . . A 57 VAL HG13 . 17879 1 745 . 1 1 58 58 VAL HG21 H 1 0.949 0.000 . . . . . A 57 VAL HG21 . 17879 1 746 . 1 1 58 58 VAL HG22 H 1 0.949 0.000 . . . . . A 57 VAL HG22 . 17879 1 747 . 1 1 58 58 VAL HG23 H 1 0.949 0.000 . . . . . A 57 VAL HG23 . 17879 1 748 . 1 1 58 58 VAL C C 13 178.743 0.000 . 1 . . . A 57 VAL C . 17879 1 749 . 1 1 58 58 VAL CA C 13 66.797 0.000 . 1 . . . A 57 VAL CA . 17879 1 750 . 1 1 58 58 VAL CB C 13 31.801 0.000 . 1 . . . A 57 VAL CB . 17879 1 751 . 1 1 58 58 VAL CG1 C 13 21.469 0.000 . 2 . . . A 57 VAL CG1 . 17879 1 752 . 1 1 58 58 VAL CG2 C 13 24.073 0.000 . 2 . . . A 57 VAL CG2 . 17879 1 753 . 1 1 58 58 VAL N N 15 122.331 0.000 . 1 . . . A 57 VAL N . 17879 1 754 . 1 1 59 59 GLY H H 1 9.381 0.000 . 1 . . . A 58 GLY H . 17879 1 755 . 1 1 59 59 GLY HA2 H 1 3.934 0.000 . . . . . A 58 GLY HA2 . 17879 1 756 . 1 1 59 59 GLY HA3 H 1 3.734 0.000 . 2 . . . A 58 GLY HA3 . 17879 1 757 . 1 1 59 59 GLY C C 13 176.924 0.000 . 1 . . . A 58 GLY C . 17879 1 758 . 1 1 59 59 GLY CA C 13 47.317 0.004 . 1 . . . A 58 GLY CA . 17879 1 759 . 1 1 59 59 GLY N N 15 105.470 0.000 . 1 . . . A 58 GLY N . 17879 1 760 . 1 1 60 60 GLN H H 1 8.027 0.000 . 1 . . . A 59 GLN H . 17879 1 761 . 1 1 60 60 GLN HA H 1 4.166 0.000 . 1 . . . A 59 GLN HA . 17879 1 762 . 1 1 60 60 GLN HB2 H 1 2.041 0.000 . 2 . . . A 59 GLN HB2 . 17879 1 763 . 1 1 60 60 GLN HB3 H 1 2.511 0.000 . 2 . . . A 59 GLN HB3 . 17879 1 764 . 1 1 60 60 GLN HG2 H 1 2.431 0.000 . 2 . . . A 59 GLN HG2 . 17879 1 765 . 1 1 60 60 GLN HG3 H 1 2.431 0.000 . 2 . . . A 59 GLN HG3 . 17879 1 766 . 1 1 60 60 GLN HE21 H 1 7.569 0.001 . 2 . . . A 59 GLN HE21 . 17879 1 767 . 1 1 60 60 GLN HE22 H 1 6.865 0.000 . 2 . . . A 59 GLN HE22 . 17879 1 768 . 1 1 60 60 GLN C C 13 178.605 0.000 . 1 . . . A 59 GLN C . 17879 1 769 . 1 1 60 60 GLN CA C 13 58.764 0.000 . 1 . . . A 59 GLN CA . 17879 1 770 . 1 1 60 60 GLN CB C 13 29.129 0.003 . 1 . . . A 59 GLN CB . 17879 1 771 . 1 1 60 60 GLN CG C 13 35.170 0.000 . 1 . . . A 59 GLN CG . 17879 1 772 . 1 1 60 60 GLN CD C 13 180.130 0.006 . 1 . . . A 59 GLN CD . 17879 1 773 . 1 1 60 60 GLN N N 15 121.492 0.000 . 1 . . . A 59 GLN N . 17879 1 774 . 1 1 60 60 GLN NE2 N 15 111.544 0.013 . 1 . . . A 59 GLN NE2 . 17879 1 775 . 1 1 61 61 PHE H H 1 8.522 0.000 . 1 . . . A 60 PHE H . 17879 1 776 . 1 1 61 61 PHE HA H 1 4.291 0.000 . 1 . . . A 60 PHE HA . 17879 1 777 . 1 1 61 61 PHE HB2 H 1 3.431 0.000 . 2 . . . A 60 PHE HB2 . 17879 1 778 . 1 1 61 61 PHE HB3 H 1 3.078 0.000 . 2 . . . A 60 PHE HB3 . 17879 1 779 . 1 1 61 61 PHE HD1 H 1 6.951 0.004 . 3 . . . A 60 PHE HD1 . 17879 1 780 . 1 1 61 61 PHE HD2 H 1 6.951 0.004 . 3 . . . A 60 PHE HD2 . 17879 1 781 . 1 1 61 61 PHE HE1 H 1 6.784 0.000 . 3 . . . A 60 PHE HE1 . 17879 1 782 . 1 1 61 61 PHE HE2 H 1 6.784 0.000 . 3 . . . A 60 PHE HE2 . 17879 1 783 . 1 1 61 61 PHE HZ H 1 6.477 0.000 . 1 . . . A 60 PHE HZ . 17879 1 784 . 1 1 61 61 PHE C C 13 176.690 0.000 . 1 . . . A 60 PHE C . 17879 1 785 . 1 1 61 61 PHE CA C 13 61.502 0.000 . 1 . . . A 60 PHE CA . 17879 1 786 . 1 1 61 61 PHE CB C 13 39.155 0.005 . 1 . . . A 60 PHE CB . 17879 1 787 . 1 1 61 61 PHE CD1 C 13 130.831 0.000 . 3 . . . A 60 PHE CD1 . 17879 1 788 . 1 1 61 61 PHE CE1 C 13 130.569 0.000 . 3 . . . A 60 PHE CE1 . 17879 1 789 . 1 1 61 61 PHE CZ C 13 129.070 0.000 . 1 . . . A 60 PHE CZ . 17879 1 790 . 1 1 61 61 PHE N N 15 122.595 0.000 . 1 . . . A 60 PHE N . 17879 1 791 . 1 1 62 62 VAL H H 1 8.705 0.000 . 1 . . . A 61 VAL H . 17879 1 792 . 1 1 62 62 VAL HA H 1 3.070 0.000 . 1 . . . A 61 VAL HA . 17879 1 793 . 1 1 62 62 VAL HB H 1 2.153 0.000 . 1 . . . A 61 VAL HB . 17879 1 794 . 1 1 62 62 VAL HG11 H 1 0.752 0.000 . . . . . A 61 VAL HG11 . 17879 1 795 . 1 1 62 62 VAL HG12 H 1 0.752 0.000 . . . . . A 61 VAL HG12 . 17879 1 796 . 1 1 62 62 VAL HG13 H 1 0.752 0.000 . . . . . A 61 VAL HG13 . 17879 1 797 . 1 1 62 62 VAL HG21 H 1 1.025 0.000 . . . . . A 61 VAL HG21 . 17879 1 798 . 1 1 62 62 VAL HG22 H 1 1.025 0.000 . . . . . A 61 VAL HG22 . 17879 1 799 . 1 1 62 62 VAL HG23 H 1 1.025 0.000 . . . . . A 61 VAL HG23 . 17879 1 800 . 1 1 62 62 VAL C C 13 176.872 0.000 . 1 . . . A 61 VAL C . 17879 1 801 . 1 1 62 62 VAL CA C 13 67.040 0.000 . 1 . . . A 61 VAL CA . 17879 1 802 . 1 1 62 62 VAL CB C 13 31.119 0.000 . 1 . . . A 61 VAL CB . 17879 1 803 . 1 1 62 62 VAL CG1 C 13 22.046 0.000 . 2 . . . A 61 VAL CG1 . 17879 1 804 . 1 1 62 62 VAL CG2 C 13 24.031 0.000 . 2 . . . A 61 VAL CG2 . 17879 1 805 . 1 1 62 62 VAL N N 15 118.720 0.000 . 1 . . . A 61 VAL N . 17879 1 806 . 1 1 63 63 TYR H H 1 7.373 0.000 . 1 . . . A 62 TYR H . 17879 1 807 . 1 1 63 63 TYR HA H 1 3.987 0.000 . 1 . . . A 62 TYR HA . 17879 1 808 . 1 1 63 63 TYR HB2 H 1 3.237 0.000 . 2 . . . A 62 TYR HB2 . 17879 1 809 . 1 1 63 63 TYR HB3 H 1 3.117 0.000 . 2 . . . A 62 TYR HB3 . 17879 1 810 . 1 1 63 63 TYR HD1 H 1 7.119 0.002 . 3 . . . A 62 TYR HD1 . 17879 1 811 . 1 1 63 63 TYR HD2 H 1 7.119 0.002 . 3 . . . A 62 TYR HD2 . 17879 1 812 . 1 1 63 63 TYR HE1 H 1 6.786 0.000 . 3 . . . A 62 TYR HE1 . 17879 1 813 . 1 1 63 63 TYR HE2 H 1 6.786 0.000 . 3 . . . A 62 TYR HE2 . 17879 1 814 . 1 1 63 63 TYR C C 13 177.325 0.000 . 1 . . . A 62 TYR C . 17879 1 815 . 1 1 63 63 TYR CA C 13 61.685 0.000 . 1 . . . A 62 TYR CA . 17879 1 816 . 1 1 63 63 TYR CB C 13 37.906 0.005 . 1 . . . A 62 TYR CB . 17879 1 817 . 1 1 63 63 TYR CD2 C 13 133.190 0.000 . 3 . . . A 62 TYR CD2 . 17879 1 818 . 1 1 63 63 TYR CE2 C 13 118.117 0.000 . 3 . . . A 62 TYR CE2 . 17879 1 819 . 1 1 63 63 TYR N N 15 118.462 0.000 . 1 . . . A 62 TYR N . 17879 1 820 . 1 1 64 64 VAL H H 1 7.376 0.000 . 1 . . . A 63 VAL H . 17879 1 821 . 1 1 64 64 VAL HA H 1 3.342 0.000 . 1 . . . A 63 VAL HA . 17879 1 822 . 1 1 64 64 VAL HB H 1 2.132 0.000 . 1 . . . A 63 VAL HB . 17879 1 823 . 1 1 64 64 VAL HG11 H 1 0.566 0.000 . . . . . A 63 VAL HG11 . 17879 1 824 . 1 1 64 64 VAL HG12 H 1 0.566 0.000 . . . . . A 63 VAL HG12 . 17879 1 825 . 1 1 64 64 VAL HG13 H 1 0.566 0.000 . . . . . A 63 VAL HG13 . 17879 1 826 . 1 1 64 64 VAL HG21 H 1 1.088 0.000 . . . . . A 63 VAL HG21 . 17879 1 827 . 1 1 64 64 VAL HG22 H 1 1.088 0.000 . . . . . A 63 VAL HG22 . 17879 1 828 . 1 1 64 64 VAL HG23 H 1 1.088 0.000 . . . . . A 63 VAL HG23 . 17879 1 829 . 1 1 64 64 VAL C C 13 178.326 0.000 . 1 . . . A 63 VAL C . 17879 1 830 . 1 1 64 64 VAL CA C 13 66.615 0.000 . 1 . . . A 63 VAL CA . 17879 1 831 . 1 1 64 64 VAL CB C 13 31.157 0.000 . 1 . . . A 63 VAL CB . 17879 1 832 . 1 1 64 64 VAL CG1 C 13 20.765 0.000 . 2 . . . A 63 VAL CG1 . 17879 1 833 . 1 1 64 64 VAL CG2 C 13 23.011 0.000 . 2 . . . A 63 VAL CG2 . 17879 1 834 . 1 1 64 64 VAL N N 15 119.137 0.000 . 1 . . . A 63 VAL N . 17879 1 835 . 1 1 65 65 ILE H H 1 7.366 0.000 . 1 . . . A 64 ILE H . 17879 1 836 . 1 1 65 65 ILE HA H 1 3.279 0.000 . 1 . . . A 64 ILE HA . 17879 1 837 . 1 1 65 65 ILE HB H 1 1.467 0.000 . 1 . . . A 64 ILE HB . 17879 1 838 . 1 1 65 65 ILE HG12 H 1 0.464 0.000 . 2 . . . A 64 ILE HG12 . 17879 1 839 . 1 1 65 65 ILE HG13 H 1 0.567 0.000 . 2 . . . A 64 ILE HG13 . 17879 1 840 . 1 1 65 65 ILE HG21 H 1 -0.001 0.000 . . . . . A 64 ILE HG21 . 17879 1 841 . 1 1 65 65 ILE HG22 H 1 -0.001 0.000 . . . . . A 64 ILE HG22 . 17879 1 842 . 1 1 65 65 ILE HG23 H 1 -0.001 0.000 . . . . . A 64 ILE HG23 . 17879 1 843 . 1 1 65 65 ILE HD11 H 1 -0.018 0.000 . . . . . A 64 ILE HD11 . 17879 1 844 . 1 1 65 65 ILE HD12 H 1 -0.018 0.000 . . . . . A 64 ILE HD12 . 17879 1 845 . 1 1 65 65 ILE HD13 H 1 -0.018 0.000 . . . . . A 64 ILE HD13 . 17879 1 846 . 1 1 65 65 ILE C C 13 177.653 0.000 . 1 . . . A 64 ILE C . 17879 1 847 . 1 1 65 65 ILE CA C 13 63.682 0.000 . 1 . . . A 64 ILE CA . 17879 1 848 . 1 1 65 65 ILE CB C 13 36.150 0.000 . 1 . . . A 64 ILE CB . 17879 1 849 . 1 1 65 65 ILE CG1 C 13 26.342 0.000 . 1 . . . A 64 ILE CG1 . 17879 1 850 . 1 1 65 65 ILE CG2 C 13 16.944 0.000 . 1 . . . A 64 ILE CG2 . 17879 1 851 . 1 1 65 65 ILE CD1 C 13 11.224 0.000 . 1 . . . A 64 ILE CD1 . 17879 1 852 . 1 1 65 65 ILE N N 15 118.858 0.000 . 1 . . . A 64 ILE N . 17879 1 853 . 1 1 66 66 ARG H H 1 8.463 0.000 . 1 . . . A 65 ARG H . 17879 1 854 . 1 1 66 66 ARG HA H 1 3.397 0.000 . 1 . . . A 65 ARG HA . 17879 1 855 . 1 1 66 66 ARG HB2 H 1 1.687 0.000 . 2 . . . A 65 ARG HB2 . 17879 1 856 . 1 1 66 66 ARG HB3 H 1 1.763 0.000 . 2 . . . A 65 ARG HB3 . 17879 1 857 . 1 1 66 66 ARG HG2 H 1 1.333 0.000 . 2 . . . A 65 ARG HG2 . 17879 1 858 . 1 1 66 66 ARG HG3 H 1 1.545 0.000 . 2 . . . A 65 ARG HG3 . 17879 1 859 . 1 1 66 66 ARG HD2 H 1 3.056 0.000 . 2 . . . A 65 ARG HD2 . 17879 1 860 . 1 1 66 66 ARG HD3 H 1 3.056 0.000 . 2 . . . A 65 ARG HD3 . 17879 1 861 . 1 1 66 66 ARG HE H 1 7.429 0.000 . 1 . . . A 65 ARG HE . 17879 1 862 . 1 1 66 66 ARG HH11 H 1 6.561 0.000 . . . . . A 65 ARG HH11 . 17879 1 863 . 1 1 66 66 ARG C C 13 178.284 0.000 . 1 . . . A 65 ARG C . 17879 1 864 . 1 1 66 66 ARG CA C 13 60.078 0.000 . 1 . . . A 65 ARG CA . 17879 1 865 . 1 1 66 66 ARG CB C 13 30.022 0.006 . 1 . . . A 65 ARG CB . 17879 1 866 . 1 1 66 66 ARG CG C 13 28.517 0.002 . 1 . . . A 65 ARG CG . 17879 1 867 . 1 1 66 66 ARG CD C 13 43.251 0.000 . 1 . . . A 65 ARG CD . 17879 1 868 . 1 1 66 66 ARG CZ C 13 159.277 0.000 . 1 . . . A 65 ARG CZ . 17879 1 869 . 1 1 66 66 ARG N N 15 118.729 0.000 . 1 . . . A 65 ARG N . 17879 1 870 . 1 1 66 66 ARG NE N 15 81.795 0.000 . 1 . . . A 65 ARG NE . 17879 1 871 . 1 1 67 67 LYS H H 1 7.536 0.000 . 1 . . . A 66 LYS H . 17879 1 872 . 1 1 67 67 LYS HA H 1 3.951 0.000 . 1 . . . A 66 LYS HA . 17879 1 873 . 1 1 67 67 LYS HB2 H 1 1.673 0.000 . 2 . . . A 66 LYS HB2 . 17879 1 874 . 1 1 67 67 LYS HB3 H 1 1.713 0.000 . 2 . . . A 66 LYS HB3 . 17879 1 875 . 1 1 67 67 LYS HG2 H 1 1.228 0.000 . 2 . . . A 66 LYS HG2 . 17879 1 876 . 1 1 67 67 LYS HG3 H 1 1.315 0.000 . 2 . . . A 66 LYS HG3 . 17879 1 877 . 1 1 67 67 LYS HD2 H 1 1.535 0.000 . 2 . . . A 66 LYS HD2 . 17879 1 878 . 1 1 67 67 LYS HD3 H 1 1.535 0.000 . 2 . . . A 66 LYS HD3 . 17879 1 879 . 1 1 67 67 LYS HE2 H 1 2.806 0.000 . 2 . . . A 66 LYS HE2 . 17879 1 880 . 1 1 67 67 LYS HE3 H 1 2.873 0.000 . 2 . . . A 66 LYS HE3 . 17879 1 881 . 1 1 67 67 LYS C C 13 178.989 0.000 . 1 . . . A 66 LYS C . 17879 1 882 . 1 1 67 67 LYS CA C 13 58.347 0.000 . 1 . . . A 66 LYS CA . 17879 1 883 . 1 1 67 67 LYS CB C 13 31.938 0.001 . 1 . . . A 66 LYS CB . 17879 1 884 . 1 1 67 67 LYS CG C 13 24.544 0.000 . 1 . . . A 66 LYS CG . 17879 1 885 . 1 1 67 67 LYS CD C 13 29.046 0.000 . 1 . . . A 66 LYS CD . 17879 1 886 . 1 1 67 67 LYS CE C 13 41.841 0.001 . 1 . . . A 66 LYS CE . 17879 1 887 . 1 1 67 67 LYS N N 15 116.643 0.000 . 1 . . . A 66 LYS N . 17879 1 888 . 1 1 68 68 ARG H H 1 7.783 0.000 . 1 . . . A 67 ARG H . 17879 1 889 . 1 1 68 68 ARG HA H 1 4.104 0.000 . 1 . . . A 67 ARG HA . 17879 1 890 . 1 1 68 68 ARG HB2 H 1 1.859 0.000 . 2 . . . A 67 ARG HB2 . 17879 1 891 . 1 1 68 68 ARG HB3 H 1 2.006 0.000 . 2 . . . A 67 ARG HB3 . 17879 1 892 . 1 1 68 68 ARG HG2 H 1 1.699 0.000 . 2 . . . A 67 ARG HG2 . 17879 1 893 . 1 1 68 68 ARG HG3 H 1 1.821 0.000 . 2 . . . A 67 ARG HG3 . 17879 1 894 . 1 1 68 68 ARG HD2 H 1 3.180 0.000 . 2 . . . A 67 ARG HD2 . 17879 1 895 . 1 1 68 68 ARG HD3 H 1 3.215 0.000 . 2 . . . A 67 ARG HD3 . 17879 1 896 . 1 1 68 68 ARG HE H 1 8.245 0.000 . 1 . . . A 67 ARG HE . 17879 1 897 . 1 1 68 68 ARG HH11 H 1 6.958 0.000 . . . . . A 67 ARG HH11 . 17879 1 898 . 1 1 68 68 ARG C C 13 178.122 0.000 . 1 . . . A 67 ARG C . 17879 1 899 . 1 1 68 68 ARG CA C 13 58.182 0.000 . 1 . . . A 67 ARG CA . 17879 1 900 . 1 1 68 68 ARG CB C 13 30.273 0.020 . 1 . . . A 67 ARG CB . 17879 1 901 . 1 1 68 68 ARG CG C 13 27.517 0.005 . 1 . . . A 67 ARG CG . 17879 1 902 . 1 1 68 68 ARG CD C 13 42.996 0.001 . 1 . . . A 67 ARG CD . 17879 1 903 . 1 1 68 68 ARG CZ C 13 159.684 0.000 . 1 . . . A 67 ARG CZ . 17879 1 904 . 1 1 68 68 ARG N N 15 119.051 0.000 . 1 . . . A 67 ARG N . 17879 1 905 . 1 1 68 68 ARG NE N 15 85.107 0.000 . 1 . . . A 67 ARG NE . 17879 1 906 . 1 1 69 69 ILE H H 1 7.675 0.000 . 1 . . . A 68 ILE H . 17879 1 907 . 1 1 69 69 ILE HA H 1 4.223 0.000 . 1 . . . A 68 ILE HA . 17879 1 908 . 1 1 69 69 ILE HB H 1 1.846 0.000 . 1 . . . A 68 ILE HB . 17879 1 909 . 1 1 69 69 ILE HG12 H 1 1.151 0.000 . 2 . . . A 68 ILE HG12 . 17879 1 910 . 1 1 69 69 ILE HG13 H 1 1.272 0.000 . 2 . . . A 68 ILE HG13 . 17879 1 911 . 1 1 69 69 ILE HG21 H 1 0.750 0.000 . . . . . A 68 ILE HG21 . 17879 1 912 . 1 1 69 69 ILE HG22 H 1 0.750 0.000 . . . . . A 68 ILE HG22 . 17879 1 913 . 1 1 69 69 ILE HG23 H 1 0.750 0.000 . . . . . A 68 ILE HG23 . 17879 1 914 . 1 1 69 69 ILE HD11 H 1 0.532 0.000 . . . . . A 68 ILE HD11 . 17879 1 915 . 1 1 69 69 ILE HD12 H 1 0.532 0.000 . . . . . A 68 ILE HD12 . 17879 1 916 . 1 1 69 69 ILE HD13 H 1 0.532 0.000 . . . . . A 68 ILE HD13 . 17879 1 917 . 1 1 69 69 ILE C C 13 174.568 0.000 . 1 . . . A 68 ILE C . 17879 1 918 . 1 1 69 69 ILE CA C 13 61.502 0.000 . 1 . . . A 68 ILE CA . 17879 1 919 . 1 1 69 69 ILE CB C 13 38.643 0.000 . 1 . . . A 68 ILE CB . 17879 1 920 . 1 1 69 69 ILE CG1 C 13 26.263 0.000 . 1 . . . A 68 ILE CG1 . 17879 1 921 . 1 1 69 69 ILE CG2 C 13 17.682 0.000 . 1 . . . A 68 ILE CG2 . 17879 1 922 . 1 1 69 69 ILE CD1 C 13 14.695 0.000 . 1 . . . A 68 ILE CD1 . 17879 1 923 . 1 1 69 69 ILE N N 15 112.456 0.000 . 1 . . . A 68 ILE N . 17879 1 924 . 1 1 70 70 MET H H 1 7.805 0.000 . 1 . . . A 69 MET H . 17879 1 925 . 1 1 70 70 MET HA H 1 3.982 0.000 . 1 . . . A 69 MET HA . 17879 1 926 . 1 1 70 70 MET HB2 H 1 2.109 0.000 . 2 . . . A 69 MET HB2 . 17879 1 927 . 1 1 70 70 MET HB3 H 1 2.206 0.000 . 2 . . . A 69 MET HB3 . 17879 1 928 . 1 1 70 70 MET HG2 H 1 2.468 0.000 . 2 . . . A 69 MET HG2 . 17879 1 929 . 1 1 70 70 MET HG3 H 1 2.468 0.000 . 2 . . . A 69 MET HG3 . 17879 1 930 . 1 1 70 70 MET HE1 H 1 2.080 0.000 . . . . . A 69 MET HE1 . 17879 1 931 . 1 1 70 70 MET HE2 H 1 2.080 0.000 . . . . . A 69 MET HE2 . 17879 1 932 . 1 1 70 70 MET HE3 H 1 2.080 0.000 . . . . . A 69 MET HE3 . 17879 1 933 . 1 1 70 70 MET C C 13 175.482 0.000 . 1 . . . A 69 MET C . 17879 1 934 . 1 1 70 70 MET CA C 13 55.811 0.000 . 1 . . . A 69 MET CA . 17879 1 935 . 1 1 70 70 MET CB C 13 29.392 0.008 . 1 . . . A 69 MET CB . 17879 1 936 . 1 1 70 70 MET CG C 13 32.272 0.000 . 1 . . . A 69 MET CG . 17879 1 937 . 1 1 70 70 MET CE C 13 16.905 0.000 . 1 . . . A 69 MET CE . 17879 1 938 . 1 1 70 70 MET N N 15 118.509 0.000 . 1 . . . A 69 MET N . 17879 1 939 . 1 1 71 71 LEU H H 1 7.493 0.000 . 1 . . . A 70 LEU H . 17879 1 940 . 1 1 71 71 LEU HA H 1 4.603 0.000 . 1 . . . A 70 LEU HA . 17879 1 941 . 1 1 71 71 LEU HB2 H 1 1.572 0.000 . 2 . . . A 70 LEU HB2 . 17879 1 942 . 1 1 71 71 LEU HB3 H 1 1.223 0.000 . 2 . . . A 70 LEU HB3 . 17879 1 943 . 1 1 71 71 LEU HG H 1 1.596 0.000 . 1 . . . A 70 LEU HG . 17879 1 944 . 1 1 71 71 LEU HD11 H 1 0.899 0.000 . . . . . A 70 LEU HD11 . 17879 1 945 . 1 1 71 71 LEU HD12 H 1 0.899 0.000 . . . . . A 70 LEU HD12 . 17879 1 946 . 1 1 71 71 LEU HD13 H 1 0.899 0.000 . . . . . A 70 LEU HD13 . 17879 1 947 . 1 1 71 71 LEU HD21 H 1 0.768 0.000 . . . . . A 70 LEU HD21 . 17879 1 948 . 1 1 71 71 LEU HD22 H 1 0.768 0.000 . . . . . A 70 LEU HD22 . 17879 1 949 . 1 1 71 71 LEU HD23 H 1 0.768 0.000 . . . . . A 70 LEU HD23 . 17879 1 950 . 1 1 71 71 LEU CA C 13 52.560 0.000 . 1 . . . A 70 LEU CA . 17879 1 951 . 1 1 71 71 LEU CB C 13 44.045 0.001 . 1 . . . A 70 LEU CB . 17879 1 952 . 1 1 71 71 LEU CG C 13 26.504 0.000 . 1 . . . A 70 LEU CG . 17879 1 953 . 1 1 71 71 LEU CD1 C 13 25.398 0.000 . 2 . . . A 70 LEU CD1 . 17879 1 954 . 1 1 71 71 LEU CD2 C 13 25.892 0.000 . 2 . . . A 70 LEU CD2 . 17879 1 955 . 1 1 71 71 LEU N N 15 121.952 0.000 . 1 . . . A 70 LEU N . 17879 1 956 . 1 1 72 72 PRO HA H 1 4.678 0.000 . 1 . . . A 71 PRO HA . 17879 1 957 . 1 1 72 72 PRO HB2 H 1 2.482 0.000 . 2 . . . A 71 PRO HB2 . 17879 1 958 . 1 1 72 72 PRO HB3 H 1 2.030 0.000 . 2 . . . A 71 PRO HB3 . 17879 1 959 . 1 1 72 72 PRO HG2 H 1 2.027 0.000 . 2 . . . A 71 PRO HG2 . 17879 1 960 . 1 1 72 72 PRO HG3 H 1 2.116 0.000 . 2 . . . A 71 PRO HG3 . 17879 1 961 . 1 1 72 72 PRO HD2 H 1 3.511 0.000 . 2 . . . A 71 PRO HD2 . 17879 1 962 . 1 1 72 72 PRO HD3 H 1 4.112 0.000 . 2 . . . A 71 PRO HD3 . 17879 1 963 . 1 1 72 72 PRO CA C 13 62.124 0.000 . 1 . . . A 71 PRO CA . 17879 1 964 . 1 1 72 72 PRO CB C 13 31.307 0.001 . 1 . . . A 71 PRO CB . 17879 1 965 . 1 1 72 72 PRO CG C 13 27.744 0.002 . 1 . . . A 71 PRO CG . 17879 1 966 . 1 1 72 72 PRO CD C 13 51.294 0.003 . 1 . . . A 71 PRO CD . 17879 1 967 . 1 1 73 73 PRO HA H 1 4.123 0.000 . 1 . . . A 72 PRO HA . 17879 1 968 . 1 1 73 73 PRO HB2 H 1 2.316 0.000 . 2 . . . A 72 PRO HB2 . 17879 1 969 . 1 1 73 73 PRO HB3 H 1 1.934 0.000 . 2 . . . A 72 PRO HB3 . 17879 1 970 . 1 1 73 73 PRO HG2 H 1 2.051 0.000 . 2 . . . A 72 PRO HG2 . 17879 1 971 . 1 1 73 73 PRO HG3 H 1 2.105 0.000 . 2 . . . A 72 PRO HG3 . 17879 1 972 . 1 1 73 73 PRO HD2 H 1 3.786 0.000 . 2 . . . A 72 PRO HD2 . 17879 1 973 . 1 1 73 73 PRO HD3 H 1 3.786 0.000 . 2 . . . A 72 PRO HD3 . 17879 1 974 . 1 1 73 73 PRO C C 13 177.052 0.000 . 1 . . . A 72 PRO C . 17879 1 975 . 1 1 73 73 PRO CA C 13 64.924 0.000 . 1 . . . A 72 PRO CA . 17879 1 976 . 1 1 73 73 PRO CB C 13 32.049 0.004 . 1 . . . A 72 PRO CB . 17879 1 977 . 1 1 73 73 PRO CG C 13 27.505 0.004 . 1 . . . A 72 PRO CG . 17879 1 978 . 1 1 73 73 PRO CD C 13 50.676 0.000 . 1 . . . A 72 PRO CD . 17879 1 979 . 1 1 74 74 GLU H H 1 9.065 0.000 . 1 . . . A 73 GLU H . 17879 1 980 . 1 1 74 74 GLU HA H 1 4.181 0.000 . 1 . . . A 73 GLU HA . 17879 1 981 . 1 1 74 74 GLU HB2 H 1 2.032 0.000 . 2 . . . A 73 GLU HB2 . 17879 1 982 . 1 1 74 74 GLU HB3 H 1 2.073 0.000 . 2 . . . A 73 GLU HB3 . 17879 1 983 . 1 1 74 74 GLU HG2 H 1 2.207 0.000 . 2 . . . A 73 GLU HG2 . 17879 1 984 . 1 1 74 74 GLU HG3 H 1 2.313 0.000 . 2 . . . A 73 GLU HG3 . 17879 1 985 . 1 1 74 74 GLU C C 13 176.459 0.000 . 1 . . . A 73 GLU C . 17879 1 986 . 1 1 74 74 GLU CA C 13 57.774 0.000 . 1 . . . A 73 GLU CA . 17879 1 987 . 1 1 74 74 GLU CB C 13 28.321 0.000 . 1 . . . A 73 GLU CB . 17879 1 988 . 1 1 74 74 GLU CG C 13 36.100 0.004 . 1 . . . A 73 GLU CG . 17879 1 989 . 1 1 74 74 GLU N N 15 115.091 0.000 . 1 . . . A 73 GLU N . 17879 1 990 . 1 1 75 75 LYS H H 1 7.797 0.000 . 1 . . . A 74 LYS H . 17879 1 991 . 1 1 75 75 LYS HA H 1 4.520 0.000 . 1 . . . A 74 LYS HA . 17879 1 992 . 1 1 75 75 LYS HB2 H 1 1.774 0.000 . 2 . . . A 74 LYS HB2 . 17879 1 993 . 1 1 75 75 LYS HB3 H 1 1.945 0.000 . 2 . . . A 74 LYS HB3 . 17879 1 994 . 1 1 75 75 LYS HG2 H 1 1.409 0.000 . 2 . . . A 74 LYS HG2 . 17879 1 995 . 1 1 75 75 LYS HG3 H 1 1.466 0.000 . 2 . . . A 74 LYS HG3 . 17879 1 996 . 1 1 75 75 LYS HD2 H 1 1.731 0.000 . 2 . . . A 74 LYS HD2 . 17879 1 997 . 1 1 75 75 LYS HD3 H 1 1.731 0.000 . 2 . . . A 74 LYS HD3 . 17879 1 998 . 1 1 75 75 LYS HE2 H 1 3.052 0.000 . 2 . . . A 74 LYS HE2 . 17879 1 999 . 1 1 75 75 LYS HE3 H 1 3.052 0.000 . 2 . . . A 74 LYS HE3 . 17879 1 1000 . 1 1 75 75 LYS C C 13 174.789 0.000 . 1 . . . A 74 LYS C . 17879 1 1001 . 1 1 75 75 LYS CA C 13 54.789 0.000 . 1 . . . A 74 LYS CA . 17879 1 1002 . 1 1 75 75 LYS CB C 13 32.882 0.001 . 1 . . . A 74 LYS CB . 17879 1 1003 . 1 1 75 75 LYS CG C 13 25.248 0.002 . 1 . . . A 74 LYS CG . 17879 1 1004 . 1 1 75 75 LYS CD C 13 28.848 0.000 . 1 . . . A 74 LYS CD . 17879 1 1005 . 1 1 75 75 LYS CE C 13 42.252 0.000 . 1 . . . A 74 LYS CE . 17879 1 1006 . 1 1 75 75 LYS N N 15 121.755 0.000 . 1 . . . A 74 LYS N . 17879 1 1007 . 1 1 76 76 ALA H H 1 8.410 0.000 . 1 . . . A 75 ALA H . 17879 1 1008 . 1 1 76 76 ALA HA H 1 4.072 0.000 . 1 . . . A 75 ALA HA . 17879 1 1009 . 1 1 76 76 ALA HB1 H 1 1.229 0.000 . . . . . A 75 ALA HB1 . 17879 1 1010 . 1 1 76 76 ALA HB2 H 1 1.229 0.000 . . . . . A 75 ALA HB2 . 17879 1 1011 . 1 1 76 76 ALA HB3 H 1 1.229 0.000 . . . . . A 75 ALA HB3 . 17879 1 1012 . 1 1 76 76 ALA C C 13 175.710 0.000 . 1 . . . A 75 ALA C . 17879 1 1013 . 1 1 76 76 ALA CA C 13 52.226 0.000 . 1 . . . A 75 ALA CA . 17879 1 1014 . 1 1 76 76 ALA CB C 13 20.956 0.000 . 1 . . . A 75 ALA CB . 17879 1 1015 . 1 1 76 76 ALA N N 15 127.848 0.000 . 1 . . . A 75 ALA N . 17879 1 1016 . 1 1 77 77 ILE H H 1 7.193 0.000 . 1 . . . A 76 ILE H . 17879 1 1017 . 1 1 77 77 ILE HA H 1 4.593 0.000 . 1 . . . A 76 ILE HA . 17879 1 1018 . 1 1 77 77 ILE HB H 1 1.408 0.000 . 1 . . . A 76 ILE HB . 17879 1 1019 . 1 1 77 77 ILE HG12 H 1 1.404 0.000 . 2 . . . A 76 ILE HG12 . 17879 1 1020 . 1 1 77 77 ILE HG13 H 1 0.826 0.000 . 2 . . . A 76 ILE HG13 . 17879 1 1021 . 1 1 77 77 ILE HG21 H 1 0.625 0.000 . . . . . A 76 ILE HG21 . 17879 1 1022 . 1 1 77 77 ILE HG22 H 1 0.625 0.000 . . . . . A 76 ILE HG22 . 17879 1 1023 . 1 1 77 77 ILE HG23 H 1 0.625 0.000 . . . . . A 76 ILE HG23 . 17879 1 1024 . 1 1 77 77 ILE HD11 H 1 0.535 0.000 . . . . . A 76 ILE HD11 . 17879 1 1025 . 1 1 77 77 ILE HD12 H 1 0.535 0.000 . . . . . A 76 ILE HD12 . 17879 1 1026 . 1 1 77 77 ILE HD13 H 1 0.535 0.000 . . . . . A 76 ILE HD13 . 17879 1 1027 . 1 1 77 77 ILE C C 13 172.379 0.000 . 1 . . . A 76 ILE C . 17879 1 1028 . 1 1 77 77 ILE CA C 13 59.699 0.000 . 1 . . . A 76 ILE CA . 17879 1 1029 . 1 1 77 77 ILE CB C 13 41.218 0.000 . 1 . . . A 76 ILE CB . 17879 1 1030 . 1 1 77 77 ILE CG1 C 13 27.946 0.000 . 1 . . . A 76 ILE CG1 . 17879 1 1031 . 1 1 77 77 ILE CG2 C 13 16.600 0.000 . 1 . . . A 76 ILE CG2 . 17879 1 1032 . 1 1 77 77 ILE CD1 C 13 13.932 0.000 . 1 . . . A 76 ILE CD1 . 17879 1 1033 . 1 1 77 77 ILE N N 15 114.298 0.000 . 1 . . . A 76 ILE N . 17879 1 1034 . 1 1 78 78 PHE H H 1 8.931 0.000 . 1 . . . A 77 PHE H . 17879 1 1035 . 1 1 78 78 PHE HA H 1 4.556 0.000 . 1 . . . A 77 PHE HA . 17879 1 1036 . 1 1 78 78 PHE HB2 H 1 2.479 0.000 . 2 . . . A 77 PHE HB2 . 17879 1 1037 . 1 1 78 78 PHE HB3 H 1 2.602 0.000 . 2 . . . A 77 PHE HB3 . 17879 1 1038 . 1 1 78 78 PHE HD1 H 1 6.965 0.000 . 3 . . . A 77 PHE HD1 . 17879 1 1039 . 1 1 78 78 PHE HD2 H 1 6.965 0.000 . 3 . . . A 77 PHE HD2 . 17879 1 1040 . 1 1 78 78 PHE HE1 H 1 7.209 0.000 . 3 . . . A 77 PHE HE1 . 17879 1 1041 . 1 1 78 78 PHE HE2 H 1 7.209 0.000 . 3 . . . A 77 PHE HE2 . 17879 1 1042 . 1 1 78 78 PHE HZ H 1 7.236 0.000 . 1 . . . A 77 PHE HZ . 17879 1 1043 . 1 1 78 78 PHE C C 13 174.359 0.000 . 1 . . . A 77 PHE C . 17879 1 1044 . 1 1 78 78 PHE CA C 13 56.596 0.000 . 1 . . . A 77 PHE CA . 17879 1 1045 . 1 1 78 78 PHE CB C 13 42.370 0.056 . 1 . . . A 77 PHE CB . 17879 1 1046 . 1 1 78 78 PHE CD1 C 13 132.236 0.000 . 3 . . . A 77 PHE CD1 . 17879 1 1047 . 1 1 78 78 PHE CE1 C 13 130.987 0.000 . 3 . . . A 77 PHE CE1 . 17879 1 1048 . 1 1 78 78 PHE CZ C 13 129.623 0.000 . 1 . . . A 77 PHE CZ . 17879 1 1049 . 1 1 78 78 PHE N N 15 124.094 0.000 . 1 . . . A 77 PHE N . 17879 1 1050 . 1 1 79 79 ILE H H 1 8.025 0.000 . 1 . . . A 78 ILE H . 17879 1 1051 . 1 1 79 79 ILE HA H 1 5.233 0.000 . 1 . . . A 78 ILE HA . 17879 1 1052 . 1 1 79 79 ILE HB H 1 1.823 0.000 . 1 . . . A 78 ILE HB . 17879 1 1053 . 1 1 79 79 ILE HG12 H 1 1.373 0.000 . 2 . . . A 78 ILE HG12 . 17879 1 1054 . 1 1 79 79 ILE HG13 H 1 1.200 0.000 . 2 . . . A 78 ILE HG13 . 17879 1 1055 . 1 1 79 79 ILE HG21 H 1 0.808 0.000 . . . . . A 78 ILE HG21 . 17879 1 1056 . 1 1 79 79 ILE HG22 H 1 0.808 0.000 . . . . . A 78 ILE HG22 . 17879 1 1057 . 1 1 79 79 ILE HG23 H 1 0.808 0.000 . . . . . A 78 ILE HG23 . 17879 1 1058 . 1 1 79 79 ILE HD11 H 1 0.798 0.000 . . . . . A 78 ILE HD11 . 17879 1 1059 . 1 1 79 79 ILE HD12 H 1 0.798 0.000 . . . . . A 78 ILE HD12 . 17879 1 1060 . 1 1 79 79 ILE HD13 H 1 0.798 0.000 . . . . . A 78 ILE HD13 . 17879 1 1061 . 1 1 79 79 ILE C C 13 173.334 0.000 . 1 . . . A 78 ILE C . 17879 1 1062 . 1 1 79 79 ILE CA C 13 58.130 0.000 . 1 . . . A 78 ILE CA . 17879 1 1063 . 1 1 79 79 ILE CB C 13 39.360 0.000 . 1 . . . A 78 ILE CB . 17879 1 1064 . 1 1 79 79 ILE CG1 C 13 26.877 0.001 . 1 . . . A 78 ILE CG1 . 17879 1 1065 . 1 1 79 79 ILE CG2 C 13 17.387 0.000 . 1 . . . A 78 ILE CG2 . 17879 1 1066 . 1 1 79 79 ILE CD1 C 13 12.874 0.000 . 1 . . . A 78 ILE CD1 . 17879 1 1067 . 1 1 79 79 ILE N N 15 117.724 0.000 . 1 . . . A 78 ILE N . 17879 1 1068 . 1 1 80 80 PHE H H 1 9.210 0.000 . 1 . . . A 79 PHE H . 17879 1 1069 . 1 1 80 80 PHE HA H 1 5.365 0.000 . 1 . . . A 79 PHE HA . 17879 1 1070 . 1 1 80 80 PHE HB2 H 1 2.929 0.000 . 2 . . . A 79 PHE HB2 . 17879 1 1071 . 1 1 80 80 PHE HB3 H 1 2.929 0.000 . 2 . . . A 79 PHE HB3 . 17879 1 1072 . 1 1 80 80 PHE HD1 H 1 6.944 0.003 . 3 . . . A 79 PHE HD1 . 17879 1 1073 . 1 1 80 80 PHE HD2 H 1 6.944 0.003 . 3 . . . A 79 PHE HD2 . 17879 1 1074 . 1 1 80 80 PHE HE1 H 1 7.194 0.000 . 3 . . . A 79 PHE HE1 . 17879 1 1075 . 1 1 80 80 PHE HE2 H 1 7.194 0.000 . 3 . . . A 79 PHE HE2 . 17879 1 1076 . 1 1 80 80 PHE HZ H 1 7.058 0.000 . 1 . . . A 79 PHE HZ . 17879 1 1077 . 1 1 80 80 PHE C C 13 176.270 0.000 . 1 . . . A 79 PHE C . 17879 1 1078 . 1 1 80 80 PHE CA C 13 55.948 0.000 . 1 . . . A 79 PHE CA . 17879 1 1079 . 1 1 80 80 PHE CB C 13 42.763 0.106 . 1 . . . A 79 PHE CB . 17879 1 1080 . 1 1 80 80 PHE CD1 C 13 131.603 0.000 . 3 . . . A 79 PHE CD1 . 17879 1 1081 . 1 1 80 80 PHE CE1 C 13 131.484 0.000 . 3 . . . A 79 PHE CE1 . 17879 1 1082 . 1 1 80 80 PHE CZ C 13 129.329 0.000 . 1 . . . A 79 PHE CZ . 17879 1 1083 . 1 1 80 80 PHE N N 15 121.084 0.000 . 1 . . . A 79 PHE N . 17879 1 1084 . 1 1 81 81 VAL H H 1 8.832 0.000 . 1 . . . A 80 VAL H . 17879 1 1085 . 1 1 81 81 VAL HA H 1 4.520 0.000 . 1 . . . A 80 VAL HA . 17879 1 1086 . 1 1 81 81 VAL HB H 1 1.568 0.000 . 1 . . . A 80 VAL HB . 17879 1 1087 . 1 1 81 81 VAL HG11 H 1 0.672 0.000 . . . . . A 80 VAL HG11 . 17879 1 1088 . 1 1 81 81 VAL HG12 H 1 0.672 0.000 . . . . . A 80 VAL HG12 . 17879 1 1089 . 1 1 81 81 VAL HG13 H 1 0.672 0.000 . . . . . A 80 VAL HG13 . 17879 1 1090 . 1 1 81 81 VAL HG21 H 1 0.733 0.000 . . . . . A 80 VAL HG21 . 17879 1 1091 . 1 1 81 81 VAL HG22 H 1 0.733 0.000 . . . . . A 80 VAL HG22 . 17879 1 1092 . 1 1 81 81 VAL HG23 H 1 0.733 0.000 . . . . . A 80 VAL HG23 . 17879 1 1093 . 1 1 81 81 VAL C C 13 175.699 0.000 . 1 . . . A 80 VAL C . 17879 1 1094 . 1 1 81 81 VAL CA C 13 60.484 0.000 . 1 . . . A 80 VAL CA . 17879 1 1095 . 1 1 81 81 VAL CB C 13 34.263 0.000 . 1 . . . A 80 VAL CB . 17879 1 1096 . 1 1 81 81 VAL CG1 C 13 21.487 0.000 . 2 . . . A 80 VAL CG1 . 17879 1 1097 . 1 1 81 81 VAL CG2 C 13 20.680 0.000 . 2 . . . A 80 VAL CG2 . 17879 1 1098 . 1 1 81 81 VAL N N 15 117.974 0.000 . 1 . . . A 80 VAL N . 17879 1 1099 . 1 1 82 82 ASN H H 1 9.689 0.000 . 1 . . . A 81 ASN H . 17879 1 1100 . 1 1 82 82 ASN HA H 1 4.339 0.000 . 1 . . . A 81 ASN HA . 17879 1 1101 . 1 1 82 82 ASN HB2 H 1 2.811 0.000 . 2 . . . A 81 ASN HB2 . 17879 1 1102 . 1 1 82 82 ASN HB3 H 1 3.039 0.000 . 2 . . . A 81 ASN HB3 . 17879 1 1103 . 1 1 82 82 ASN HD21 H 1 8.814 0.002 . 2 . . . A 81 ASN HD21 . 17879 1 1104 . 1 1 82 82 ASN HD22 H 1 7.136 0.000 . 2 . . . A 81 ASN HD22 . 17879 1 1105 . 1 1 82 82 ASN C C 13 174.036 0.000 . 1 . . . A 81 ASN C . 17879 1 1106 . 1 1 82 82 ASN CA C 13 55.231 0.000 . 1 . . . A 81 ASN CA . 17879 1 1107 . 1 1 82 82 ASN CB C 13 37.408 0.001 . 1 . . . A 81 ASN CB . 17879 1 1108 . 1 1 82 82 ASN CG C 13 177.960 0.002 . 1 . . . A 81 ASN CG . 17879 1 1109 . 1 1 82 82 ASN N N 15 127.615 0.000 . 1 . . . A 81 ASN N . 17879 1 1110 . 1 1 82 82 ASN ND2 N 15 116.147 0.000 . 1 . . . A 81 ASN ND2 . 17879 1 1111 . 1 1 83 83 ASP H H 1 8.772 0.000 . 1 . . . A 82 ASP H . 17879 1 1112 . 1 1 83 83 ASP HA H 1 4.135 0.000 . 1 . . . A 82 ASP HA . 17879 1 1113 . 1 1 83 83 ASP HB2 H 1 2.677 0.000 . 2 . . . A 82 ASP HB2 . 17879 1 1114 . 1 1 83 83 ASP HB3 H 1 2.832 0.000 . 2 . . . A 82 ASP HB3 . 17879 1 1115 . 1 1 83 83 ASP C C 13 174.560 0.000 . 1 . . . A 82 ASP C . 17879 1 1116 . 1 1 83 83 ASP CA C 13 55.638 0.000 . 1 . . . A 82 ASP CA . 17879 1 1117 . 1 1 83 83 ASP CB C 13 39.564 0.015 . 1 . . . A 82 ASP CB . 17879 1 1118 . 1 1 83 83 ASP N N 15 112.699 0.000 . 1 . . . A 82 ASP N . 17879 1 1119 . 1 1 84 84 THR H H 1 8.080 0.000 . 1 . . . A 83 THR H . 17879 1 1120 . 1 1 84 84 THR HA H 1 4.715 0.000 . 1 . . . A 83 THR HA . 17879 1 1121 . 1 1 84 84 THR HB H 1 4.124 0.000 . 1 . . . A 83 THR HB . 17879 1 1122 . 1 1 84 84 THR HG21 H 1 1.217 0.000 . . . . . A 83 THR HG21 . 17879 1 1123 . 1 1 84 84 THR HG22 H 1 1.217 0.000 . . . . . A 83 THR HG22 . 17879 1 1124 . 1 1 84 84 THR HG23 H 1 1.217 0.000 . . . . . A 83 THR HG23 . 17879 1 1125 . 1 1 84 84 THR C C 13 172.200 0.000 . 1 . . . A 83 THR C . 17879 1 1126 . 1 1 84 84 THR CA C 13 60.868 0.000 . 1 . . . A 83 THR CA . 17879 1 1127 . 1 1 84 84 THR CB C 13 72.206 0.000 . 1 . . . A 83 THR CB . 17879 1 1128 . 1 1 84 84 THR CG2 C 13 21.261 0.000 . 1 . . . A 83 THR CG2 . 17879 1 1129 . 1 1 84 84 THR N N 15 112.567 0.000 . 1 . . . A 83 THR N . 17879 1 1130 . 1 1 85 85 LEU H H 1 8.520 0.000 . 1 . . . A 84 LEU H . 17879 1 1131 . 1 1 85 85 LEU HA H 1 5.127 0.000 . 1 . . . A 84 LEU HA . 17879 1 1132 . 1 1 85 85 LEU HB2 H 1 1.679 0.000 . 2 . . . A 84 LEU HB2 . 17879 1 1133 . 1 1 85 85 LEU HB3 H 1 1.478 0.000 . 2 . . . A 84 LEU HB3 . 17879 1 1134 . 1 1 85 85 LEU HG H 1 1.372 0.000 . 1 . . . A 84 LEU HG . 17879 1 1135 . 1 1 85 85 LEU HD11 H 1 0.780 0.000 . . . . . A 84 LEU HD11 . 17879 1 1136 . 1 1 85 85 LEU HD12 H 1 0.780 0.000 . . . . . A 84 LEU HD12 . 17879 1 1137 . 1 1 85 85 LEU HD13 H 1 0.780 0.000 . . . . . A 84 LEU HD13 . 17879 1 1138 . 1 1 85 85 LEU HD21 H 1 0.626 0.000 . . . . . A 84 LEU HD21 . 17879 1 1139 . 1 1 85 85 LEU HD22 H 1 0.626 0.000 . . . . . A 84 LEU HD22 . 17879 1 1140 . 1 1 85 85 LEU HD23 H 1 0.626 0.000 . . . . . A 84 LEU HD23 . 17879 1 1141 . 1 1 85 85 LEU CA C 13 51.927 0.000 . 1 . . . A 84 LEU CA . 17879 1 1142 . 1 1 85 85 LEU CB C 13 42.779 0.001 . 1 . . . A 84 LEU CB . 17879 1 1143 . 1 1 85 85 LEU CG C 13 27.144 0.000 . 1 . . . A 84 LEU CG . 17879 1 1144 . 1 1 85 85 LEU CD1 C 13 25.420 0.000 . 2 . . . A 84 LEU CD1 . 17879 1 1145 . 1 1 85 85 LEU CD2 C 13 25.514 0.000 . 2 . . . A 84 LEU CD2 . 17879 1 1146 . 1 1 85 85 LEU N N 15 125.810 0.000 . 1 . . . A 84 LEU N . 17879 1 1147 . 1 1 86 86 PRO HA H 1 4.835 0.000 . 1 . . . A 85 PRO HA . 17879 1 1148 . 1 1 86 86 PRO HB2 H 1 2.203 0.000 . 2 . . . A 85 PRO HB2 . 17879 1 1149 . 1 1 86 86 PRO HB3 H 1 1.847 0.000 . 2 . . . A 85 PRO HB3 . 17879 1 1150 . 1 1 86 86 PRO HG2 H 1 1.682 0.000 . 2 . . . A 85 PRO HG2 . 17879 1 1151 . 1 1 86 86 PRO HG3 H 1 1.924 0.000 . 2 . . . A 85 PRO HG3 . 17879 1 1152 . 1 1 86 86 PRO HD2 H 1 3.949 0.000 . 2 . . . A 85 PRO HD2 . 17879 1 1153 . 1 1 86 86 PRO HD3 H 1 4.248 0.000 . 2 . . . A 85 PRO HD3 . 17879 1 1154 . 1 1 86 86 PRO CA C 13 60.910 0.000 . 1 . . . A 85 PRO CA . 17879 1 1155 . 1 1 86 86 PRO CB C 13 30.852 0.000 . 1 . . . A 85 PRO CB . 17879 1 1156 . 1 1 86 86 PRO CG C 13 26.849 0.009 . 1 . . . A 85 PRO CG . 17879 1 1157 . 1 1 86 86 PRO CD C 13 50.788 0.002 . 1 . . . A 85 PRO CD . 17879 1 1158 . 1 1 87 87 PRO HA H 1 4.577 0.000 . 1 . . . A 86 PRO HA . 17879 1 1159 . 1 1 87 87 PRO HB2 H 1 2.455 0.000 . 2 . . . A 86 PRO HB2 . 17879 1 1160 . 1 1 87 87 PRO HB3 H 1 2.003 0.000 . 2 . . . A 86 PRO HB3 . 17879 1 1161 . 1 1 87 87 PRO HG2 H 1 2.121 0.000 . 2 . . . A 86 PRO HG2 . 17879 1 1162 . 1 1 87 87 PRO HG3 H 1 2.176 0.000 . 2 . . . A 86 PRO HG3 . 17879 1 1163 . 1 1 87 87 PRO HD2 H 1 3.535 0.000 . 2 . . . A 86 PRO HD2 . 17879 1 1164 . 1 1 87 87 PRO HD3 H 1 3.948 0.000 . 2 . . . A 86 PRO HD3 . 17879 1 1165 . 1 1 87 87 PRO C C 13 177.830 0.000 . 1 . . . A 86 PRO C . 17879 1 1166 . 1 1 87 87 PRO CA C 13 62.424 0.000 . 1 . . . A 86 PRO CA . 17879 1 1167 . 1 1 87 87 PRO CB C 13 31.910 0.002 . 1 . . . A 86 PRO CB . 17879 1 1168 . 1 1 87 87 PRO CG C 13 27.747 0.005 . 1 . . . A 86 PRO CG . 17879 1 1169 . 1 1 87 87 PRO CD C 13 50.564 0.006 . 1 . . . A 86 PRO CD . 17879 1 1170 . 1 1 88 88 THR H H 1 8.291 0.000 . 1 . . . A 87 THR H . 17879 1 1171 . 1 1 88 88 THR HA H 1 3.802 0.000 . 1 . . . A 87 THR HA . 17879 1 1172 . 1 1 88 88 THR HB H 1 4.165 0.000 . 1 . . . A 87 THR HB . 17879 1 1173 . 1 1 88 88 THR HG21 H 1 1.326 0.000 . . . . . A 87 THR HG21 . 17879 1 1174 . 1 1 88 88 THR HG22 H 1 1.326 0.000 . . . . . A 87 THR HG22 . 17879 1 1175 . 1 1 88 88 THR HG23 H 1 1.326 0.000 . . . . . A 87 THR HG23 . 17879 1 1176 . 1 1 88 88 THR C C 13 175.702 0.000 . 1 . . . A 87 THR C . 17879 1 1177 . 1 1 88 88 THR CA C 13 65.079 0.000 . 1 . . . A 87 THR CA . 17879 1 1178 . 1 1 88 88 THR CB C 13 68.818 0.000 . 1 . . . A 87 THR CB . 17879 1 1179 . 1 1 88 88 THR CG2 C 13 22.376 0.000 . 1 . . . A 87 THR CG2 . 17879 1 1180 . 1 1 88 88 THR N N 15 114.642 0.000 . 1 . . . A 87 THR N . 17879 1 1181 . 1 1 89 89 ALA H H 1 8.031 0.000 . 1 . . . A 88 ALA H . 17879 1 1182 . 1 1 89 89 ALA HA H 1 4.420 0.000 . 1 . . . A 88 ALA HA . 17879 1 1183 . 1 1 89 89 ALA HB1 H 1 1.439 0.000 . . . . . A 88 ALA HB1 . 17879 1 1184 . 1 1 89 89 ALA HB2 H 1 1.439 0.000 . . . . . A 88 ALA HB2 . 17879 1 1185 . 1 1 89 89 ALA HB3 H 1 1.439 0.000 . . . . . A 88 ALA HB3 . 17879 1 1186 . 1 1 89 89 ALA C C 13 177.690 0.000 . 1 . . . A 88 ALA C . 17879 1 1187 . 1 1 89 89 ALA CA C 13 52.118 0.000 . 1 . . . A 88 ALA CA . 17879 1 1188 . 1 1 89 89 ALA CB C 13 19.334 0.000 . 1 . . . A 88 ALA CB . 17879 1 1189 . 1 1 89 89 ALA N N 15 119.706 0.000 . 1 . . . A 88 ALA N . 17879 1 1190 . 1 1 90 90 ALA H H 1 7.465 0.000 . 1 . . . A 89 ALA H . 17879 1 1191 . 1 1 90 90 ALA HA H 1 4.179 0.000 . 1 . . . A 89 ALA HA . 17879 1 1192 . 1 1 90 90 ALA HB1 H 1 1.445 0.000 . . . . . A 89 ALA HB1 . 17879 1 1193 . 1 1 90 90 ALA HB2 H 1 1.445 0.000 . . . . . A 89 ALA HB2 . 17879 1 1194 . 1 1 90 90 ALA HB3 H 1 1.445 0.000 . . . . . A 89 ALA HB3 . 17879 1 1195 . 1 1 90 90 ALA C C 13 176.520 0.000 . 1 . . . A 89 ALA C . 17879 1 1196 . 1 1 90 90 ALA CA C 13 52.454 0.000 . 1 . . . A 89 ALA CA . 17879 1 1197 . 1 1 90 90 ALA CB C 13 19.301 0.000 . 1 . . . A 89 ALA CB . 17879 1 1198 . 1 1 90 90 ALA N N 15 120.388 0.000 . 1 . . . A 89 ALA N . 17879 1 1199 . 1 1 91 91 LEU H H 1 8.458 0.000 . 1 . . . A 90 LEU H . 17879 1 1200 . 1 1 91 91 LEU HA H 1 4.490 0.000 . 1 . . . A 90 LEU HA . 17879 1 1201 . 1 1 91 91 LEU HB2 H 1 1.772 0.000 . 2 . . . A 90 LEU HB2 . 17879 1 1202 . 1 1 91 91 LEU HB3 H 1 1.717 0.000 . 2 . . . A 90 LEU HB3 . 17879 1 1203 . 1 1 91 91 LEU HG H 1 1.820 0.000 . 1 . . . A 90 LEU HG . 17879 1 1204 . 1 1 91 91 LEU HD11 H 1 0.830 0.000 . . . . . A 90 LEU HD11 . 17879 1 1205 . 1 1 91 91 LEU HD12 H 1 0.830 0.000 . . . . . A 90 LEU HD12 . 17879 1 1206 . 1 1 91 91 LEU HD13 H 1 0.830 0.000 . . . . . A 90 LEU HD13 . 17879 1 1207 . 1 1 91 91 LEU HD21 H 1 0.962 0.000 . . . . . A 90 LEU HD21 . 17879 1 1208 . 1 1 91 91 LEU HD22 H 1 0.962 0.000 . . . . . A 90 LEU HD22 . 17879 1 1209 . 1 1 91 91 LEU HD23 H 1 0.962 0.000 . . . . . A 90 LEU HD23 . 17879 1 1210 . 1 1 91 91 LEU C C 13 179.555 0.000 . 1 . . . A 90 LEU C . 17879 1 1211 . 1 1 91 91 LEU CA C 13 54.578 0.000 . 1 . . . A 90 LEU CA . 17879 1 1212 . 1 1 91 91 LEU CB C 13 42.689 0.000 . 1 . . . A 90 LEU CB . 17879 1 1213 . 1 1 91 91 LEU CG C 13 27.683 0.000 . 1 . . . A 90 LEU CG . 17879 1 1214 . 1 1 91 91 LEU CD1 C 13 23.264 0.000 . 2 . . . A 90 LEU CD1 . 17879 1 1215 . 1 1 91 91 LEU CD2 C 13 25.336 0.000 . 2 . . . A 90 LEU CD2 . 17879 1 1216 . 1 1 91 91 LEU N N 15 119.307 0.000 . 1 . . . A 90 LEU N . 17879 1 1217 . 1 1 92 92 MET H H 1 9.203 0.000 . 1 . . . A 91 MET H . 17879 1 1218 . 1 1 92 92 MET HA H 1 4.231 0.000 . 1 . . . A 91 MET HA . 17879 1 1219 . 1 1 92 92 MET HB2 H 1 1.473 0.000 . 2 . . . A 91 MET HB2 . 17879 1 1220 . 1 1 92 92 MET HB3 H 1 2.045 0.000 . 2 . . . A 91 MET HB3 . 17879 1 1221 . 1 1 92 92 MET HG2 H 1 2.220 0.000 . 2 . . . A 91 MET HG2 . 17879 1 1222 . 1 1 92 92 MET HG3 H 1 2.312 0.000 . 2 . . . A 91 MET HG3 . 17879 1 1223 . 1 1 92 92 MET HE1 H 1 1.192 0.000 . . . . . A 91 MET HE1 . 17879 1 1224 . 1 1 92 92 MET HE2 H 1 1.192 0.000 . . . . . A 91 MET HE2 . 17879 1 1225 . 1 1 92 92 MET HE3 H 1 1.192 0.000 . . . . . A 91 MET HE3 . 17879 1 1226 . 1 1 92 92 MET C C 13 178.860 0.000 . 1 . . . A 91 MET C . 17879 1 1227 . 1 1 92 92 MET CA C 13 56.938 0.000 . 1 . . . A 91 MET CA . 17879 1 1228 . 1 1 92 92 MET CB C 13 29.372 0.001 . 1 . . . A 91 MET CB . 17879 1 1229 . 1 1 92 92 MET CG C 13 32.789 0.000 . 1 . . . A 91 MET CG . 17879 1 1230 . 1 1 92 92 MET CE C 13 15.409 0.000 . 1 . . . A 91 MET CE . 17879 1 1231 . 1 1 92 92 MET N N 15 121.586 0.000 . 1 . . . A 91 MET N . 17879 1 1232 . 1 1 93 93 SER H H 1 8.717 0.000 . 1 . . . A 92 SER H . 17879 1 1233 . 1 1 93 93 SER HA H 1 3.978 0.000 . 1 . . . A 92 SER HA . 17879 1 1234 . 1 1 93 93 SER HB2 H 1 3.962 0.000 . 2 . . . A 92 SER HB2 . 17879 1 1235 . 1 1 93 93 SER HB3 H 1 3.962 0.000 . 2 . . . A 92 SER HB3 . 17879 1 1236 . 1 1 93 93 SER C C 13 176.318 0.000 . 1 . . . A 92 SER C . 17879 1 1237 . 1 1 93 93 SER CA C 13 60.871 0.000 . 1 . . . A 92 SER CA . 17879 1 1238 . 1 1 93 93 SER CB C 13 61.575 0.000 . 1 . . . A 92 SER CB . 17879 1 1239 . 1 1 93 93 SER N N 15 112.826 0.000 . 1 . . . A 92 SER N . 17879 1 1240 . 1 1 94 94 ALA H H 1 7.058 0.000 . 1 . . . A 93 ALA H . 17879 1 1241 . 1 1 94 94 ALA HA H 1 4.357 0.000 . 1 . . . A 93 ALA HA . 17879 1 1242 . 1 1 94 94 ALA HB1 H 1 1.659 0.000 . . . . . A 93 ALA HB1 . 17879 1 1243 . 1 1 94 94 ALA HB2 H 1 1.659 0.000 . . . . . A 93 ALA HB2 . 17879 1 1244 . 1 1 94 94 ALA HB3 H 1 1.659 0.000 . . . . . A 93 ALA HB3 . 17879 1 1245 . 1 1 94 94 ALA C C 13 180.789 0.000 . 1 . . . A 93 ALA C . 17879 1 1246 . 1 1 94 94 ALA CA C 13 54.841 0.000 . 1 . . . A 93 ALA CA . 17879 1 1247 . 1 1 94 94 ALA CB C 13 18.603 0.000 . 1 . . . A 93 ALA CB . 17879 1 1248 . 1 1 94 94 ALA N N 15 126.735 0.000 . 1 . . . A 93 ALA N . 17879 1 1249 . 1 1 95 95 ILE H H 1 7.872 0.000 . 1 . . . A 94 ILE H . 17879 1 1250 . 1 1 95 95 ILE HA H 1 4.063 0.000 . 1 . . . A 94 ILE HA . 17879 1 1251 . 1 1 95 95 ILE HB H 1 2.167 0.000 . 1 . . . A 94 ILE HB . 17879 1 1252 . 1 1 95 95 ILE HG12 H 1 1.376 0.000 . 2 . . . A 94 ILE HG12 . 17879 1 1253 . 1 1 95 95 ILE HG13 H 1 1.642 0.000 . 2 . . . A 94 ILE HG13 . 17879 1 1254 . 1 1 95 95 ILE HG21 H 1 0.994 0.000 . . . . . A 94 ILE HG21 . 17879 1 1255 . 1 1 95 95 ILE HG22 H 1 0.994 0.000 . . . . . A 94 ILE HG22 . 17879 1 1256 . 1 1 95 95 ILE HG23 H 1 0.994 0.000 . . . . . A 94 ILE HG23 . 17879 1 1257 . 1 1 95 95 ILE HD11 H 1 0.778 0.000 . . . . . A 94 ILE HD11 . 17879 1 1258 . 1 1 95 95 ILE HD12 H 1 0.778 0.000 . . . . . A 94 ILE HD12 . 17879 1 1259 . 1 1 95 95 ILE HD13 H 1 0.778 0.000 . . . . . A 94 ILE HD13 . 17879 1 1260 . 1 1 95 95 ILE C C 13 178.326 0.000 . 1 . . . A 94 ILE C . 17879 1 1261 . 1 1 95 95 ILE CA C 13 62.755 0.000 . 1 . . . A 94 ILE CA . 17879 1 1262 . 1 1 95 95 ILE CB C 13 36.410 0.000 . 1 . . . A 94 ILE CB . 17879 1 1263 . 1 1 95 95 ILE CG1 C 13 27.013 0.005 . 1 . . . A 94 ILE CG1 . 17879 1 1264 . 1 1 95 95 ILE CG2 C 13 19.120 0.000 . 1 . . . A 94 ILE CG2 . 17879 1 1265 . 1 1 95 95 ILE CD1 C 13 10.983 0.000 . 1 . . . A 94 ILE CD1 . 17879 1 1266 . 1 1 95 95 ILE N N 15 118.720 0.000 . 1 . . . A 94 ILE N . 17879 1 1267 . 1 1 96 96 TYR H H 1 8.841 0.000 . 1 . . . A 95 TYR H . 17879 1 1268 . 1 1 96 96 TYR HA H 1 4.007 0.000 . 1 . . . A 95 TYR HA . 17879 1 1269 . 1 1 96 96 TYR HB2 H 1 3.017 0.000 . 2 . . . A 95 TYR HB2 . 17879 1 1270 . 1 1 96 96 TYR HB3 H 1 3.160 0.000 . 2 . . . A 95 TYR HB3 . 17879 1 1271 . 1 1 96 96 TYR HD1 H 1 7.037 0.001 . 3 . . . A 95 TYR HD1 . 17879 1 1272 . 1 1 96 96 TYR HD2 H 1 7.037 0.001 . 3 . . . A 95 TYR HD2 . 17879 1 1273 . 1 1 96 96 TYR HE1 H 1 6.864 0.000 . 3 . . . A 95 TYR HE1 . 17879 1 1274 . 1 1 96 96 TYR HE2 H 1 6.864 0.000 . 3 . . . A 95 TYR HE2 . 17879 1 1275 . 1 1 96 96 TYR C C 13 176.022 0.000 . 1 . . . A 95 TYR C . 17879 1 1276 . 1 1 96 96 TYR CA C 13 62.187 0.000 . 1 . . . A 95 TYR CA . 17879 1 1277 . 1 1 96 96 TYR CB C 13 39.093 0.002 . 1 . . . A 95 TYR CB . 17879 1 1278 . 1 1 96 96 TYR CD1 C 13 133.483 0.000 . 3 . . . A 95 TYR CD1 . 17879 1 1279 . 1 1 96 96 TYR CE1 C 13 118.134 0.000 . 3 . . . A 95 TYR CE1 . 17879 1 1280 . 1 1 96 96 TYR N N 15 120.697 0.000 . 1 . . . A 95 TYR N . 17879 1 1281 . 1 1 97 97 GLN H H 1 7.757 0.000 . 1 . . . A 96 GLN H . 17879 1 1282 . 1 1 97 97 GLN HA H 1 3.778 0.000 . 1 . . . A 96 GLN HA . 17879 1 1283 . 1 1 97 97 GLN HB2 H 1 2.178 0.000 . 2 . . . A 96 GLN HB2 . 17879 1 1284 . 1 1 97 97 GLN HB3 H 1 2.219 0.000 . 2 . . . A 96 GLN HB3 . 17879 1 1285 . 1 1 97 97 GLN HG2 H 1 2.577 0.000 . 2 . . . A 96 GLN HG2 . 17879 1 1286 . 1 1 97 97 GLN HG3 H 1 2.577 0.000 . 2 . . . A 96 GLN HG3 . 17879 1 1287 . 1 1 97 97 GLN HE21 H 1 7.571 0.001 . 2 . . . A 96 GLN HE21 . 17879 1 1288 . 1 1 97 97 GLN HE22 H 1 6.934 0.001 . 2 . . . A 96 GLN HE22 . 17879 1 1289 . 1 1 97 97 GLN C C 13 177.250 0.000 . 1 . . . A 96 GLN C . 17879 1 1290 . 1 1 97 97 GLN CA C 13 58.719 0.000 . 1 . . . A 96 GLN CA . 17879 1 1291 . 1 1 97 97 GLN CB C 13 28.286 0.003 . 1 . . . A 96 GLN CB . 17879 1 1292 . 1 1 97 97 GLN CG C 13 33.504 0.000 . 1 . . . A 96 GLN CG . 17879 1 1293 . 1 1 97 97 GLN CD C 13 180.126 0.008 . 1 . . . A 96 GLN CD . 17879 1 1294 . 1 1 97 97 GLN N N 15 114.982 0.000 . 1 . . . A 96 GLN N . 17879 1 1295 . 1 1 97 97 GLN NE2 N 15 112.043 0.001 . 1 . . . A 96 GLN NE2 . 17879 1 1296 . 1 1 98 98 GLU H H 1 7.117 0.000 . 1 . . . A 97 GLU H . 17879 1 1297 . 1 1 98 98 GLU HA H 1 4.099 0.000 . 1 . . . A 97 GLU HA . 17879 1 1298 . 1 1 98 98 GLU HB2 H 1 1.582 0.000 . 2 . . . A 97 GLU HB2 . 17879 1 1299 . 1 1 98 98 GLU HB3 H 1 1.813 0.000 . 2 . . . A 97 GLU HB3 . 17879 1 1300 . 1 1 98 98 GLU HG2 H 1 1.532 0.000 . 2 . . . A 97 GLU HG2 . 17879 1 1301 . 1 1 98 98 GLU HG3 H 1 1.997 0.000 . 2 . . . A 97 GLU HG3 . 17879 1 1302 . 1 1 98 98 GLU C C 13 178.140 0.000 . 1 . . . A 97 GLU C . 17879 1 1303 . 1 1 98 98 GLU CA C 13 57.886 0.000 . 1 . . . A 97 GLU CA . 17879 1 1304 . 1 1 98 98 GLU CB C 13 31.589 0.003 . 1 . . . A 97 GLU CB . 17879 1 1305 . 1 1 98 98 GLU CG C 13 35.644 0.004 . 1 . . . A 97 GLU CG . 17879 1 1306 . 1 1 98 98 GLU N N 15 114.340 0.000 . 1 . . . A 97 GLU N . 17879 1 1307 . 1 1 99 99 HIS H H 1 8.247 0.000 . 1 . . . A 98 HIS H . 17879 1 1308 . 1 1 99 99 HIS HA H 1 4.829 0.000 . 1 . . . A 98 HIS HA . 17879 1 1309 . 1 1 99 99 HIS HB2 H 1 2.800 0.000 . 2 . . . A 98 HIS HB2 . 17879 1 1310 . 1 1 99 99 HIS HB3 H 1 3.232 0.000 . 2 . . . A 98 HIS HB3 . 17879 1 1311 . 1 1 99 99 HIS HD2 H 1 7.028 0.001 . 1 . . . A 98 HIS HD2 . 17879 1 1312 . 1 1 99 99 HIS HE1 H 1 7.868 0.000 . 1 . . . A 98 HIS HE1 . 17879 1 1313 . 1 1 99 99 HIS C C 13 175.856 0.000 . 1 . . . A 98 HIS C . 17879 1 1314 . 1 1 99 99 HIS CA C 13 56.738 0.000 . 1 . . . A 98 HIS CA . 17879 1 1315 . 1 1 99 99 HIS CB C 13 32.930 0.009 . 1 . . . A 98 HIS CB . 17879 1 1316 . 1 1 99 99 HIS CD2 C 13 119.361 0.000 . 1 . . . A 98 HIS CD2 . 17879 1 1317 . 1 1 99 99 HIS CE1 C 13 138.983 0.000 . 1 . . . A 98 HIS CE1 . 17879 1 1318 . 1 1 99 99 HIS N N 15 113.377 0.000 . 1 . . . A 98 HIS N . 17879 1 1319 . 1 1 100 100 LYS H H 1 8.065 0.000 . 1 . . . A 99 LYS H . 17879 1 1320 . 1 1 100 100 LYS HA H 1 3.994 0.000 . 1 . . . A 99 LYS HA . 17879 1 1321 . 1 1 100 100 LYS HB2 H 1 1.202 0.000 . 2 . . . A 99 LYS HB2 . 17879 1 1322 . 1 1 100 100 LYS HB3 H 1 1.202 0.000 . 2 . . . A 99 LYS HB3 . 17879 1 1323 . 1 1 100 100 LYS HG2 H 1 1.004 0.000 . 2 . . . A 99 LYS HG2 . 17879 1 1324 . 1 1 100 100 LYS HG3 H 1 1.217 0.000 . 2 . . . A 99 LYS HG3 . 17879 1 1325 . 1 1 100 100 LYS HD2 H 1 0.897 0.000 . 2 . . . A 99 LYS HD2 . 17879 1 1326 . 1 1 100 100 LYS HD3 H 1 1.230 0.000 . 2 . . . A 99 LYS HD3 . 17879 1 1327 . 1 1 100 100 LYS HE2 H 1 2.745 0.000 . 2 . . . A 99 LYS HE2 . 17879 1 1328 . 1 1 100 100 LYS HE3 H 1 2.782 0.000 . 2 . . . A 99 LYS HE3 . 17879 1 1329 . 1 1 100 100 LYS C C 13 174.832 0.000 . 1 . . . A 99 LYS C . 17879 1 1330 . 1 1 100 100 LYS CA C 13 57.693 0.000 . 1 . . . A 99 LYS CA . 17879 1 1331 . 1 1 100 100 LYS CB C 13 31.703 0.000 . 1 . . . A 99 LYS CB . 17879 1 1332 . 1 1 100 100 LYS CG C 13 22.528 0.017 . 1 . . . A 99 LYS CG . 17879 1 1333 . 1 1 100 100 LYS CD C 13 29.340 0.000 . 1 . . . A 99 LYS CD . 17879 1 1334 . 1 1 100 100 LYS CE C 13 42.255 0.001 . 1 . . . A 99 LYS CE . 17879 1 1335 . 1 1 100 100 LYS N N 15 120.905 0.000 . 1 . . . A 99 LYS N . 17879 1 1336 . 1 1 101 101 ASP H H 1 9.027 0.000 . 1 . . . A 100 ASP H . 17879 1 1337 . 1 1 101 101 ASP HA H 1 4.765 0.000 . 1 . . . A 100 ASP HA . 17879 1 1338 . 1 1 101 101 ASP HB2 H 1 3.183 0.000 . 2 . . . A 100 ASP HB2 . 17879 1 1339 . 1 1 101 101 ASP HB3 H 1 3.891 0.000 . 2 . . . A 100 ASP HB3 . 17879 1 1340 . 1 1 101 101 ASP C C 13 177.692 0.000 . 1 . . . A 100 ASP C . 17879 1 1341 . 1 1 101 101 ASP CA C 13 54.030 0.000 . 1 . . . A 100 ASP CA . 17879 1 1342 . 1 1 101 101 ASP CB C 13 43.429 0.001 . 1 . . . A 100 ASP CB . 17879 1 1343 . 1 1 101 101 ASP N N 15 124.188 0.000 . 1 . . . A 100 ASP N . 17879 1 1344 . 1 1 102 102 LYS H H 1 8.678 0.000 . 1 . . . A 101 LYS H . 17879 1 1345 . 1 1 102 102 LYS HA H 1 4.239 0.000 . 1 . . . A 101 LYS HA . 17879 1 1346 . 1 1 102 102 LYS HB2 H 1 2.053 0.000 . 2 . . . A 101 LYS HB2 . 17879 1 1347 . 1 1 102 102 LYS HB3 H 1 2.053 0.000 . 2 . . . A 101 LYS HB3 . 17879 1 1348 . 1 1 102 102 LYS HG2 H 1 1.652 0.000 . 2 . . . A 101 LYS HG2 . 17879 1 1349 . 1 1 102 102 LYS HG3 H 1 1.709 0.000 . 2 . . . A 101 LYS HG3 . 17879 1 1350 . 1 1 102 102 LYS HD2 H 1 1.711 0.000 . 2 . . . A 101 LYS HD2 . 17879 1 1351 . 1 1 102 102 LYS HD3 H 1 1.711 0.000 . 2 . . . A 101 LYS HD3 . 17879 1 1352 . 1 1 102 102 LYS HE2 H 1 2.973 0.000 . 2 . . . A 101 LYS HE2 . 17879 1 1353 . 1 1 102 102 LYS HE3 H 1 2.973 0.000 . 2 . . . A 101 LYS HE3 . 17879 1 1354 . 1 1 102 102 LYS C C 13 178.053 0.000 . 1 . . . A 101 LYS C . 17879 1 1355 . 1 1 102 102 LYS CA C 13 59.482 0.000 . 1 . . . A 101 LYS CA . 17879 1 1356 . 1 1 102 102 LYS CB C 13 32.821 0.000 . 1 . . . A 101 LYS CB . 17879 1 1357 . 1 1 102 102 LYS CG C 13 25.607 0.007 . 1 . . . A 101 LYS CG . 17879 1 1358 . 1 1 102 102 LYS CD C 13 29.069 0.000 . 1 . . . A 101 LYS CD . 17879 1 1359 . 1 1 102 102 LYS CE C 13 42.123 0.000 . 1 . . . A 101 LYS CE . 17879 1 1360 . 1 1 102 102 LYS N N 15 125.898 0.000 . 1 . . . A 101 LYS N . 17879 1 1361 . 1 1 103 103 ASP H H 1 10.276 0.000 . 1 . . . A 102 ASP H . 17879 1 1362 . 1 1 103 103 ASP HA H 1 4.127 0.000 . 1 . . . A 102 ASP HA . 17879 1 1363 . 1 1 103 103 ASP HB2 H 1 2.619 0.000 . 2 . . . A 102 ASP HB2 . 17879 1 1364 . 1 1 103 103 ASP HB3 H 1 2.817 0.000 . 2 . . . A 102 ASP HB3 . 17879 1 1365 . 1 1 103 103 ASP C C 13 176.833 0.000 . 1 . . . A 102 ASP C . 17879 1 1366 . 1 1 103 103 ASP CA C 13 54.666 0.000 . 1 . . . A 102 ASP CA . 17879 1 1367 . 1 1 103 103 ASP CB C 13 39.848 0.008 . 1 . . . A 102 ASP CB . 17879 1 1368 . 1 1 103 103 ASP N N 15 119.326 0.000 . 1 . . . A 102 ASP N . 17879 1 1369 . 1 1 104 104 GLY H H 1 8.173 0.000 . 1 . . . A 103 GLY H . 17879 1 1370 . 1 1 104 104 GLY HA2 H 1 3.509 0.000 . . . . . A 103 GLY HA2 . 17879 1 1371 . 1 1 104 104 GLY HA3 H 1 4.415 0.000 . 2 . . . A 103 GLY HA3 . 17879 1 1372 . 1 1 104 104 GLY C C 13 174.655 0.000 . 1 . . . A 103 GLY C . 17879 1 1373 . 1 1 104 104 GLY CA C 13 45.319 0.002 . 1 . . . A 103 GLY CA . 17879 1 1374 . 1 1 104 104 GLY N N 15 106.059 0.000 . 1 . . . A 103 GLY N . 17879 1 1375 . 1 1 105 105 PHE H H 1 9.600 0.000 . 1 . . . A 104 PHE H . 17879 1 1376 . 1 1 105 105 PHE HA H 1 4.682 0.000 . 1 . . . A 104 PHE HA . 17879 1 1377 . 1 1 105 105 PHE HB2 H 1 2.090 0.000 . 2 . . . A 104 PHE HB2 . 17879 1 1378 . 1 1 105 105 PHE HB3 H 1 3.541 0.000 . 2 . . . A 104 PHE HB3 . 17879 1 1379 . 1 1 105 105 PHE HD1 H 1 7.056 0.003 . 3 . . . A 104 PHE HD1 . 17879 1 1380 . 1 1 105 105 PHE HD2 H 1 7.056 0.003 . 3 . . . A 104 PHE HD2 . 17879 1 1381 . 1 1 105 105 PHE HE1 H 1 7.200 0.000 . 3 . . . A 104 PHE HE1 . 17879 1 1382 . 1 1 105 105 PHE HE2 H 1 7.200 0.000 . 3 . . . A 104 PHE HE2 . 17879 1 1383 . 1 1 105 105 PHE HZ H 1 6.934 0.000 . 1 . . . A 104 PHE HZ . 17879 1 1384 . 1 1 105 105 PHE C C 13 174.830 0.000 . 1 . . . A 104 PHE C . 17879 1 1385 . 1 1 105 105 PHE CA C 13 59.377 0.000 . 1 . . . A 104 PHE CA . 17879 1 1386 . 1 1 105 105 PHE CB C 13 39.938 0.007 . 1 . . . A 104 PHE CB . 17879 1 1387 . 1 1 105 105 PHE CD1 C 13 132.618 0.000 . 3 . . . A 104 PHE CD1 . 17879 1 1388 . 1 1 105 105 PHE CE1 C 13 130.543 0.000 . 3 . . . A 104 PHE CE1 . 17879 1 1389 . 1 1 105 105 PHE CZ C 13 127.239 0.000 . 1 . . . A 104 PHE CZ . 17879 1 1390 . 1 1 105 105 PHE N N 15 121.781 0.000 . 1 . . . A 104 PHE N . 17879 1 1391 . 1 1 106 106 LEU H H 1 8.376 0.000 . 1 . . . A 105 LEU H . 17879 1 1392 . 1 1 106 106 LEU HA H 1 4.897 0.000 . 1 . . . A 105 LEU HA . 17879 1 1393 . 1 1 106 106 LEU HB2 H 1 1.436 0.000 . 2 . . . A 105 LEU HB2 . 17879 1 1394 . 1 1 106 106 LEU HB3 H 1 2.104 0.000 . 2 . . . A 105 LEU HB3 . 17879 1 1395 . 1 1 106 106 LEU HG H 1 1.440 0.000 . 1 . . . A 105 LEU HG . 17879 1 1396 . 1 1 106 106 LEU HD11 H 1 0.703 0.000 . . . . . A 105 LEU HD11 . 17879 1 1397 . 1 1 106 106 LEU HD12 H 1 0.703 0.000 . . . . . A 105 LEU HD12 . 17879 1 1398 . 1 1 106 106 LEU HD13 H 1 0.703 0.000 . . . . . A 105 LEU HD13 . 17879 1 1399 . 1 1 106 106 LEU HD21 H 1 0.934 0.000 . . . . . A 105 LEU HD21 . 17879 1 1400 . 1 1 106 106 LEU HD22 H 1 0.934 0.000 . . . . . A 105 LEU HD22 . 17879 1 1401 . 1 1 106 106 LEU HD23 H 1 0.934 0.000 . . . . . A 105 LEU HD23 . 17879 1 1402 . 1 1 106 106 LEU C C 13 173.947 0.000 . 1 . . . A 105 LEU C . 17879 1 1403 . 1 1 106 106 LEU CA C 13 53.463 0.000 . 1 . . . A 105 LEU CA . 17879 1 1404 . 1 1 106 106 LEU CB C 13 45.066 0.001 . 1 . . . A 105 LEU CB . 17879 1 1405 . 1 1 106 106 LEU CG C 13 27.317 0.000 . 1 . . . A 105 LEU CG . 17879 1 1406 . 1 1 106 106 LEU CD1 C 13 26.136 0.000 . 2 . . . A 105 LEU CD1 . 17879 1 1407 . 1 1 106 106 LEU CD2 C 13 24.301 0.000 . 2 . . . A 105 LEU CD2 . 17879 1 1408 . 1 1 106 106 LEU N N 15 119.929 0.000 . 1 . . . A 105 LEU N . 17879 1 1409 . 1 1 107 107 TYR H H 1 9.124 0.000 . 1 . . . A 106 TYR H . 17879 1 1410 . 1 1 107 107 TYR HA H 1 4.992 0.000 . 1 . . . A 106 TYR HA . 17879 1 1411 . 1 1 107 107 TYR HB2 H 1 2.927 0.000 . 2 . . . A 106 TYR HB2 . 17879 1 1412 . 1 1 107 107 TYR HB3 H 1 3.111 0.000 . 2 . . . A 106 TYR HB3 . 17879 1 1413 . 1 1 107 107 TYR HD1 H 1 7.315 0.001 . 3 . . . A 106 TYR HD1 . 17879 1 1414 . 1 1 107 107 TYR HD2 H 1 7.315 0.001 . 3 . . . A 106 TYR HD2 . 17879 1 1415 . 1 1 107 107 TYR HE1 H 1 7.286 0.000 . 3 . . . A 106 TYR HE1 . 17879 1 1416 . 1 1 107 107 TYR HE2 H 1 7.286 0.000 . 3 . . . A 106 TYR HE2 . 17879 1 1417 . 1 1 107 107 TYR C C 13 176.099 0.000 . 1 . . . A 106 TYR C . 17879 1 1418 . 1 1 107 107 TYR CA C 13 58.893 0.000 . 1 . . . A 106 TYR CA . 17879 1 1419 . 1 1 107 107 TYR CB C 13 38.140 0.011 . 1 . . . A 106 TYR CB . 17879 1 1420 . 1 1 107 107 TYR CD1 C 13 132.786 0.000 . 3 . . . A 106 TYR CD1 . 17879 1 1421 . 1 1 107 107 TYR CE1 C 13 118.838 0.000 . 3 . . . A 106 TYR CE1 . 17879 1 1422 . 1 1 107 107 TYR N N 15 127.637 0.000 . 1 . . . A 106 TYR N . 17879 1 1423 . 1 1 108 108 VAL H H 1 9.560 0.000 . 1 . . . A 107 VAL H . 17879 1 1424 . 1 1 108 108 VAL HA H 1 5.135 0.000 . 1 . . . A 107 VAL HA . 17879 1 1425 . 1 1 108 108 VAL HB H 1 2.252 0.000 . 1 . . . A 107 VAL HB . 17879 1 1426 . 1 1 108 108 VAL HG11 H 1 0.851 0.000 . . . . . A 107 VAL HG11 . 17879 1 1427 . 1 1 108 108 VAL HG12 H 1 0.851 0.000 . . . . . A 107 VAL HG12 . 17879 1 1428 . 1 1 108 108 VAL HG13 H 1 0.851 0.000 . . . . . A 107 VAL HG13 . 17879 1 1429 . 1 1 108 108 VAL HG21 H 1 0.934 0.000 . . . . . A 107 VAL HG21 . 17879 1 1430 . 1 1 108 108 VAL HG22 H 1 0.934 0.000 . . . . . A 107 VAL HG22 . 17879 1 1431 . 1 1 108 108 VAL HG23 H 1 0.934 0.000 . . . . . A 107 VAL HG23 . 17879 1 1432 . 1 1 108 108 VAL C C 13 175.722 0.000 . 1 . . . A 107 VAL C . 17879 1 1433 . 1 1 108 108 VAL CA C 13 59.587 0.000 . 1 . . . A 107 VAL CA . 17879 1 1434 . 1 1 108 108 VAL CB C 13 34.787 0.000 . 1 . . . A 107 VAL CB . 17879 1 1435 . 1 1 108 108 VAL CG1 C 13 20.911 0.000 . 2 . . . A 107 VAL CG1 . 17879 1 1436 . 1 1 108 108 VAL CG2 C 13 22.171 0.000 . 2 . . . A 107 VAL CG2 . 17879 1 1437 . 1 1 108 108 VAL N N 15 121.630 0.000 . 1 . . . A 107 VAL N . 17879 1 1438 . 1 1 109 109 THR H H 1 9.061 0.000 . 1 . . . A 108 THR H . 17879 1 1439 . 1 1 109 109 THR HA H 1 6.155 0.000 . 1 . . . A 108 THR HA . 17879 1 1440 . 1 1 109 109 THR HB H 1 4.045 0.000 . 1 . . . A 108 THR HB . 17879 1 1441 . 1 1 109 109 THR HG21 H 1 1.237 0.000 . . . . . A 108 THR HG21 . 17879 1 1442 . 1 1 109 109 THR HG22 H 1 1.237 0.000 . . . . . A 108 THR HG22 . 17879 1 1443 . 1 1 109 109 THR HG23 H 1 1.237 0.000 . . . . . A 108 THR HG23 . 17879 1 1444 . 1 1 109 109 THR C C 13 174.158 0.000 . 1 . . . A 108 THR C . 17879 1 1445 . 1 1 109 109 THR CA C 13 59.869 0.000 . 1 . . . A 108 THR CA . 17879 1 1446 . 1 1 109 109 THR CB C 13 72.268 0.000 . 1 . . . A 108 THR CB . 17879 1 1447 . 1 1 109 109 THR CG2 C 13 22.350 0.000 . 1 . . . A 108 THR CG2 . 17879 1 1448 . 1 1 109 109 THR N N 15 119.845 0.000 . 1 . . . A 108 THR N . 17879 1 1449 . 1 1 110 110 TYR H H 1 8.461 0.000 . 1 . . . A 109 TYR H . 17879 1 1450 . 1 1 110 110 TYR HA H 1 6.332 0.000 . 1 . . . A 109 TYR HA . 17879 1 1451 . 1 1 110 110 TYR HB2 H 1 2.596 0.000 . 2 . . . A 109 TYR HB2 . 17879 1 1452 . 1 1 110 110 TYR HB3 H 1 2.917 0.000 . 2 . . . A 109 TYR HB3 . 17879 1 1453 . 1 1 110 110 TYR HD1 H 1 6.833 0.003 . 3 . . . A 109 TYR HD1 . 17879 1 1454 . 1 1 110 110 TYR HD2 H 1 6.833 0.003 . 3 . . . A 109 TYR HD2 . 17879 1 1455 . 1 1 110 110 TYR HE1 H 1 6.632 0.000 . 3 . . . A 109 TYR HE1 . 17879 1 1456 . 1 1 110 110 TYR HE2 H 1 6.632 0.000 . 3 . . . A 109 TYR HE2 . 17879 1 1457 . 1 1 110 110 TYR HH H 1 9.706 0.003 . 1 . . . A 109 TYR HH . 17879 1 1458 . 1 1 110 110 TYR C C 13 173.366 0.000 . 1 . . . A 109 TYR C . 17879 1 1459 . 1 1 110 110 TYR CA C 13 54.655 0.000 . 1 . . . A 109 TYR CA . 17879 1 1460 . 1 1 110 110 TYR CB C 13 42.250 0.023 . 1 . . . A 109 TYR CB . 17879 1 1461 . 1 1 110 110 TYR CD1 C 13 132.976 0.000 . 3 . . . A 109 TYR CD1 . 17879 1 1462 . 1 1 110 110 TYR CE1 C 13 117.460 0.000 . 3 . . . A 109 TYR CE1 . 17879 1 1463 . 1 1 110 110 TYR N N 15 119.706 0.000 . 1 . . . A 109 TYR N . 17879 1 1464 . 1 1 111 111 SER H H 1 9.089 0.000 . 1 . . . A 110 SER H . 17879 1 1465 . 1 1 111 111 SER HA H 1 4.745 0.000 . 1 . . . A 110 SER HA . 17879 1 1466 . 1 1 111 111 SER HB2 H 1 3.851 0.000 . 2 . . . A 110 SER HB2 . 17879 1 1467 . 1 1 111 111 SER HB3 H 1 3.978 0.000 . 2 . . . A 110 SER HB3 . 17879 1 1468 . 1 1 111 111 SER C C 13 173.692 0.000 . 1 . . . A 110 SER C . 17879 1 1469 . 1 1 111 111 SER CA C 13 56.044 0.000 . 1 . . . A 110 SER CA . 17879 1 1470 . 1 1 111 111 SER CB C 13 66.177 0.001 . 1 . . . A 110 SER CB . 17879 1 1471 . 1 1 111 111 SER N N 15 112.907 0.000 . 1 . . . A 110 SER N . 17879 1 1472 . 1 1 112 112 GLY H H 1 8.443 0.000 . 1 . . . A 111 GLY H . 17879 1 1473 . 1 1 112 112 GLY HA2 H 1 3.859 0.000 . . . . . A 111 GLY HA2 . 17879 1 1474 . 1 1 112 112 GLY HA3 H 1 4.846 0.000 . 2 . . . A 111 GLY HA3 . 17879 1 1475 . 1 1 112 112 GLY C C 13 173.331 0.000 . 1 . . . A 111 GLY C . 17879 1 1476 . 1 1 112 112 GLY CA C 13 45.341 0.002 . 1 . . . A 111 GLY CA . 17879 1 1477 . 1 1 112 112 GLY N N 15 111.054 0.000 . 1 . . . A 111 GLY N . 17879 1 1478 . 1 1 113 113 GLU H H 1 8.413 0.000 . 1 . . . A 112 GLU H . 17879 1 1479 . 1 1 113 113 GLU HA H 1 4.660 0.000 . 1 . . . A 112 GLU HA . 17879 1 1480 . 1 1 113 113 GLU HB2 H 1 1.978 0.000 . 2 . . . A 112 GLU HB2 . 17879 1 1481 . 1 1 113 113 GLU HB3 H 1 2.054 0.000 . 2 . . . A 112 GLU HB3 . 17879 1 1482 . 1 1 113 113 GLU HG2 H 1 2.297 0.000 . 2 . . . A 112 GLU HG2 . 17879 1 1483 . 1 1 113 113 GLU HG3 H 1 2.191 0.000 . 2 . . . A 112 GLU HG3 . 17879 1 1484 . 1 1 113 113 GLU C C 13 174.538 0.000 . 1 . . . A 112 GLU C . 17879 1 1485 . 1 1 113 113 GLU CA C 13 55.642 0.000 . 1 . . . A 112 GLU CA . 17879 1 1486 . 1 1 113 113 GLU CB C 13 32.930 0.016 . 1 . . . A 112 GLU CB . 17879 1 1487 . 1 1 113 113 GLU CG C 13 36.455 0.001 . 1 . . . A 112 GLU CG . 17879 1 1488 . 1 1 113 113 GLU N N 15 118.801 0.000 . 1 . . . A 112 GLU N . 17879 1 1489 . 1 1 114 114 ASN H H 1 8.207 0.000 . 1 . . . A 113 ASN H . 17879 1 1490 . 1 1 114 114 ASN HA H 1 4.187 0.000 . 1 . . . A 113 ASN HA . 17879 1 1491 . 1 1 114 114 ASN HB2 H 1 1.647 0.000 . 2 . . . A 113 ASN HB2 . 17879 1 1492 . 1 1 114 114 ASN HB3 H 1 1.921 0.000 . 2 . . . A 113 ASN HB3 . 17879 1 1493 . 1 1 114 114 ASN HD21 H 1 7.001 0.002 . 2 . . . A 113 ASN HD21 . 17879 1 1494 . 1 1 114 114 ASN HD22 H 1 6.540 0.001 . 2 . . . A 113 ASN HD22 . 17879 1 1495 . 1 1 114 114 ASN C C 13 175.011 0.000 . 1 . . . A 113 ASN C . 17879 1 1496 . 1 1 114 114 ASN CA C 13 51.910 0.000 . 1 . . . A 113 ASN CA . 17879 1 1497 . 1 1 114 114 ASN CB C 13 36.865 0.004 . 1 . . . A 113 ASN CB . 17879 1 1498 . 1 1 114 114 ASN N N 15 118.152 0.000 . 1 . . . A 113 ASN N . 17879 1 1499 . 1 1 114 114 ASN ND2 N 15 109.422 0.000 . 1 . . . A 113 ASN ND2 . 17879 1 1500 . 1 1 115 115 THR H H 1 7.411 0.000 . 1 . . . A 114 THR H . 17879 1 1501 . 1 1 115 115 THR HA H 1 4.190 0.000 . 1 . . . A 114 THR HA . 17879 1 1502 . 1 1 115 115 THR HB H 1 3.959 0.000 . 1 . . . A 114 THR HB . 17879 1 1503 . 1 1 115 115 THR HG21 H 1 0.960 0.000 . . . . . A 114 THR HG21 . 17879 1 1504 . 1 1 115 115 THR HG22 H 1 0.960 0.000 . . . . . A 114 THR HG22 . 17879 1 1505 . 1 1 115 115 THR HG23 H 1 0.960 0.000 . . . . . A 114 THR HG23 . 17879 1 1506 . 1 1 115 115 THR C C 13 173.575 0.000 . 1 . . . A 114 THR C . 17879 1 1507 . 1 1 115 115 THR CA C 13 61.149 0.000 . 1 . . . A 114 THR CA . 17879 1 1508 . 1 1 115 115 THR CB C 13 69.859 0.000 . 1 . . . A 114 THR CB . 17879 1 1509 . 1 1 115 115 THR CG2 C 13 21.291 0.000 . 1 . . . A 114 THR CG2 . 17879 1 1510 . 1 1 115 115 THR N N 15 112.887 0.000 . 1 . . . A 114 THR N . 17879 1 1511 . 1 1 116 116 PHE H H 1 8.021 0.000 . 1 . . . A 115 PHE H . 17879 1 1512 . 1 1 116 116 PHE HA H 1 4.451 0.000 . 1 . . . A 115 PHE HA . 17879 1 1513 . 1 1 116 116 PHE HB2 H 1 3.038 0.000 . 2 . . . A 115 PHE HB2 . 17879 1 1514 . 1 1 116 116 PHE HB3 H 1 2.776 0.000 . 2 . . . A 115 PHE HB3 . 17879 1 1515 . 1 1 116 116 PHE HD1 H 1 6.969 0.000 . 3 . . . A 115 PHE HD1 . 17879 1 1516 . 1 1 116 116 PHE HD2 H 1 6.969 0.000 . 3 . . . A 115 PHE HD2 . 17879 1 1517 . 1 1 116 116 PHE HE1 H 1 7.076 0.000 . 3 . . . A 115 PHE HE1 . 17879 1 1518 . 1 1 116 116 PHE HE2 H 1 7.076 0.000 . 3 . . . A 115 PHE HE2 . 17879 1 1519 . 1 1 116 116 PHE HZ H 1 7.081 0.000 . 1 . . . A 115 PHE HZ . 17879 1 1520 . 1 1 116 116 PHE C C 13 175.078 0.000 . 1 . . . A 115 PHE C . 17879 1 1521 . 1 1 116 116 PHE CA C 13 57.681 0.000 . 1 . . . A 115 PHE CA . 17879 1 1522 . 1 1 116 116 PHE CB C 13 39.569 0.018 . 1 . . . A 115 PHE CB . 17879 1 1523 . 1 1 116 116 PHE CD1 C 13 131.558 0.000 . 3 . . . A 115 PHE CD1 . 17879 1 1524 . 1 1 116 116 PHE CE1 C 13 131.319 0.000 . 3 . . . A 115 PHE CE1 . 17879 1 1525 . 1 1 116 116 PHE CZ C 13 129.552 0.000 . 1 . . . A 115 PHE CZ . 17879 1 1526 . 1 1 116 116 PHE N N 15 121.474 0.000 . 1 . . . A 115 PHE N . 17879 1 1527 . 1 1 117 117 GLY H H 1 7.712 0.000 . 1 . . . A 116 GLY H . 17879 1 1528 . 1 1 117 117 GLY HA2 H 1 3.659 0.000 . 2 . . . A 116 GLY HA2 . 17879 1 1529 . 1 1 117 117 GLY HA3 H 1 3.659 0.000 . 2 . . . A 116 GLY HA3 . 17879 1 1530 . 1 1 117 117 GLY CA C 13 46.190 0.000 . 1 . . . A 116 GLY CA . 17879 1 1531 . 1 1 117 117 GLY N N 15 116.271 0.000 . 1 . . . A 116 GLY N . 17879 1 1532 . 2 2 1 1 GLY HA2 H 1 3.977 0.000 . 2 . . . B 597 GLY QA . 17879 1 1533 . 2 2 1 1 GLY HA3 H 1 3.977 0.000 . 2 . . . B 597 GLY QA . 17879 1 1534 . 2 2 1 1 GLY CA C 13 43.440 0.000 . 1 . . . B 597 GLY CA . 17879 1 1535 . 2 2 2 2 PRO HA H 1 4.457 0.000 . 1 . . . B 598 PRO HA . 17879 1 1536 . 2 2 2 2 PRO HB2 H 1 1.852 0.000 . 2 . . . B 598 PRO HB2 . 17879 1 1537 . 2 2 2 2 PRO HB3 H 1 2.262 0.000 . 2 . . . B 598 PRO HB3 . 17879 1 1538 . 2 2 2 2 PRO HG2 H 1 1.933 0.000 . 2 . . . B 598 PRO HG2 . 17879 1 1539 . 2 2 2 2 PRO HG3 H 1 2.003 0.000 . 2 . . . B 598 PRO HG3 . 17879 1 1540 . 2 2 2 2 PRO HD2 H 1 3.549 0.000 . 2 . . . B 598 PRO HD2 . 17879 1 1541 . 2 2 2 2 PRO HD3 H 1 3.568 0.000 . 2 . . . B 598 PRO HD3 . 17879 1 1542 . 2 2 2 2 PRO C C 13 176.564 0.000 . 1 . . . B 598 PRO C . 17879 1 1543 . 2 2 2 2 PRO CA C 13 63.064 0.000 . 1 . . . B 598 PRO CA . 17879 1 1544 . 2 2 2 2 PRO CB C 13 32.327 0.000 . 1 . . . B 598 PRO CB . 17879 1 1545 . 2 2 2 2 PRO CG C 13 26.973 0.000 . 1 . . . B 598 PRO CG . 17879 1 1546 . 2 2 2 2 PRO CD C 13 49.652 0.002 . 1 . . . B 598 PRO CD . 17879 1 1547 . 2 2 3 3 HIS H H 1 8.536 0.000 . 1 . . . B 599 HIS HN . 17879 1 1548 . 2 2 3 3 HIS HA H 1 4.655 0.000 . 1 . . . B 599 HIS HA . 17879 1 1549 . 2 2 3 3 HIS HB2 H 1 3.109 0.000 . 2 . . . B 599 HIS HB2 . 17879 1 1550 . 2 2 3 3 HIS HB3 H 1 3.159 0.000 . 2 . . . B 599 HIS HB3 . 17879 1 1551 . 2 2 3 3 HIS HD2 H 1 7.105 0.000 . 1 . . . B 599 HIS HD2 . 17879 1 1552 . 2 2 3 3 HIS HE1 H 1 8.079 0.000 . 1 . . . B 599 HIS HE1 . 17879 1 1553 . 2 2 3 3 HIS CA C 13 56.012 0.000 . 1 . . . B 599 HIS CA . 17879 1 1554 . 2 2 3 3 HIS CB C 13 30.329 0.001 . 1 . . . B 599 HIS CB . 17879 1 1555 . 2 2 3 3 HIS CD2 C 13 119.930 0.000 . 1 . . . B 599 HIS CD2 . 17879 1 1556 . 2 2 3 3 HIS CE1 C 13 137.896 0.000 . 1 . . . B 599 HIS CE1 . 17879 1 1557 . 2 2 3 3 HIS N N 15 119.871 0.000 . 1 . . . B 599 HIS N . 17879 1 1558 . 2 2 4 4 MET H H 1 8.344 0.000 . 1 . . . B 600 MET HN . 17879 1 1559 . 2 2 4 4 MET HA H 1 4.507 0.000 . 1 . . . B 600 MET HA . 17879 1 1560 . 2 2 4 4 MET HB2 H 1 1.975 0.000 . 2 . . . B 600 MET HB2 . 17879 1 1561 . 2 2 4 4 MET HB3 H 1 2.035 0.000 . 2 . . . B 600 MET HB3 . 17879 1 1562 . 2 2 4 4 MET HG2 H 1 2.471 0.000 . 2 . . . B 600 MET HG2 . 17879 1 1563 . 2 2 4 4 MET HG3 H 1 2.530 0.000 . 2 . . . B 600 MET HG3 . 17879 1 1564 . 2 2 4 4 MET HE1 H 1 2.074 0.000 . . . . . B 600 MET QE . 17879 1 1565 . 2 2 4 4 MET HE2 H 1 2.074 0.000 . . . . . B 600 MET QE . 17879 1 1566 . 2 2 4 4 MET HE3 H 1 2.074 0.000 . . . . . B 600 MET QE . 17879 1 1567 . 2 2 4 4 MET C C 13 175.825 0.000 . 1 . . . B 600 MET C . 17879 1 1568 . 2 2 4 4 MET CA C 13 55.390 0.000 . 1 . . . B 600 MET CA . 17879 1 1569 . 2 2 4 4 MET CB C 13 33.136 0.002 . 1 . . . B 600 MET CB . 17879 1 1570 . 2 2 4 4 MET CG C 13 31.901 0.001 . 1 . . . B 600 MET CG . 17879 1 1571 . 2 2 4 4 MET CE C 13 17.021 0.000 . 1 . . . B 600 MET CE . 17879 1 1572 . 2 2 4 4 MET N N 15 122.524 0.000 . 1 . . . B 600 MET N . 17879 1 1573 . 2 2 5 5 ILE H H 1 8.304 0.000 . 1 . . . B 601 ILE HN . 17879 1 1574 . 2 2 5 5 ILE HA H 1 4.216 0.000 . 1 . . . B 601 ILE HA . 17879 1 1575 . 2 2 5 5 ILE HB H 1 1.877 0.000 . 1 . . . B 601 ILE HB . 17879 1 1576 . 2 2 5 5 ILE HG12 H 1 1.186 0.000 . 2 . . . B 601 ILE HG12 . 17879 1 1577 . 2 2 5 5 ILE HG13 H 1 1.473 0.000 . 2 . . . B 601 ILE HG13 . 17879 1 1578 . 2 2 5 5 ILE HG21 H 1 0.916 0.000 . . . . . B 601 ILE QG2 . 17879 1 1579 . 2 2 5 5 ILE HG22 H 1 0.916 0.000 . . . . . B 601 ILE QG2 . 17879 1 1580 . 2 2 5 5 ILE HG23 H 1 0.916 0.000 . . . . . B 601 ILE QG2 . 17879 1 1581 . 2 2 5 5 ILE HD11 H 1 0.859 0.000 . . . . . B 601 ILE QD1 . 17879 1 1582 . 2 2 5 5 ILE HD12 H 1 0.859 0.000 . . . . . B 601 ILE QD1 . 17879 1 1583 . 2 2 5 5 ILE HD13 H 1 0.859 0.000 . . . . . B 601 ILE QD1 . 17879 1 1584 . 2 2 5 5 ILE C C 13 176.153 0.000 . 1 . . . B 601 ILE C . 17879 1 1585 . 2 2 5 5 ILE CA C 13 61.155 0.000 . 1 . . . B 601 ILE CA . 17879 1 1586 . 2 2 5 5 ILE CB C 13 38.811 0.000 . 1 . . . B 601 ILE CB . 17879 1 1587 . 2 2 5 5 ILE CG1 C 13 27.274 0.001 . 1 . . . B 601 ILE CG1 . 17879 1 1588 . 2 2 5 5 ILE CG2 C 13 17.600 0.000 . 1 . . . B 601 ILE CG2 . 17879 1 1589 . 2 2 5 5 ILE CD1 C 13 12.995 0.000 . 1 . . . B 601 ILE CD1 . 17879 1 1590 . 2 2 5 5 ILE N N 15 122.607 0.000 . 1 . . . B 601 ILE N . 17879 1 1591 . 2 2 6 6 SER H H 1 8.442 0.000 . 1 . . . B 602 SER HN . 17879 1 1592 . 2 2 6 6 SER HA H 1 4.457 0.000 . 1 . . . B 602 SER HA . 17879 1 1593 . 2 2 6 6 SER HB2 H 1 3.887 0.000 . 2 . . . B 602 SER QB . 17879 1 1594 . 2 2 6 6 SER HB3 H 1 3.887 0.000 . 2 . . . B 602 SER QB . 17879 1 1595 . 2 2 6 6 SER C C 13 174.979 0.000 . 1 . . . B 602 SER C . 17879 1 1596 . 2 2 6 6 SER CA C 13 58.465 0.000 . 1 . . . B 602 SER CA . 17879 1 1597 . 2 2 6 6 SER CB C 13 63.954 0.000 . 1 . . . B 602 SER CB . 17879 1 1598 . 2 2 6 6 SER N N 15 120.153 0.000 . 1 . . . B 602 SER N . 17879 1 1599 . 2 2 7 7 GLY H H 1 8.468 0.000 . 1 . . . B 603 GLY HN . 17879 1 1600 . 2 2 7 7 GLY HA2 H 1 3.978 0.000 . 2 . . . B 603 GLY QA . 17879 1 1601 . 2 2 7 7 GLY HA3 H 1 3.978 0.000 . 2 . . . B 603 GLY QA . 17879 1 1602 . 2 2 7 7 GLY C C 13 174.088 0.000 . 1 . . . B 603 GLY C . 17879 1 1603 . 2 2 7 7 GLY CA C 13 45.491 0.000 . 1 . . . B 603 GLY CA . 17879 1 1604 . 2 2 7 7 GLY N N 15 110.866 0.000 . 1 . . . B 603 GLY N . 17879 1 1605 . 2 2 8 8 LEU H H 1 8.057 0.000 . 1 . . . B 604 LEU HN . 17879 1 1606 . 2 2 8 8 LEU HA H 1 4.384 0.000 . 1 . . . B 604 LEU HA . 17879 1 1607 . 2 2 8 8 LEU HB2 H 1 1.608 0.000 . 2 . . . B 604 LEU QB . 17879 1 1608 . 2 2 8 8 LEU HB3 H 1 1.608 0.000 . 2 . . . B 604 LEU QB . 17879 1 1609 . 2 2 8 8 LEU HG H 1 1.606 0.000 . 1 . . . B 604 LEU HG . 17879 1 1610 . 2 2 8 8 LEU HD11 H 1 0.863 0.000 . . . . . B 604 LEU QD1 . 17879 1 1611 . 2 2 8 8 LEU HD12 H 1 0.863 0.000 . . . . . B 604 LEU QD1 . 17879 1 1612 . 2 2 8 8 LEU HD13 H 1 0.863 0.000 . . . . . B 604 LEU QD1 . 17879 1 1613 . 2 2 8 8 LEU HD21 H 1 0.910 0.000 . . . . . B 604 LEU QD2 . 17879 1 1614 . 2 2 8 8 LEU HD22 H 1 0.910 0.000 . . . . . B 604 LEU QD2 . 17879 1 1615 . 2 2 8 8 LEU HD23 H 1 0.910 0.000 . . . . . B 604 LEU QD2 . 17879 1 1616 . 2 2 8 8 LEU C C 13 177.404 0.000 . 1 . . . B 604 LEU C . 17879 1 1617 . 2 2 8 8 LEU CA C 13 55.254 0.000 . 1 . . . B 604 LEU CA . 17879 1 1618 . 2 2 8 8 LEU CB C 13 42.665 0.000 . 1 . . . B 604 LEU CB . 17879 1 1619 . 2 2 8 8 LEU CG C 13 26.997 0.000 . 1 . . . B 604 LEU CG . 17879 1 1620 . 2 2 8 8 LEU CD1 C 13 23.621 0.000 . 2 . . . B 604 LEU CD1 . 17879 1 1621 . 2 2 8 8 LEU CD2 C 13 24.960 0.000 . 2 . . . B 604 LEU CD2 . 17879 1 1622 . 2 2 8 8 LEU N N 15 121.311 0.000 . 1 . . . B 604 LEU N . 17879 1 1623 . 2 2 9 9 SER H H 1 8.301 0.000 . 1 . . . B 605 SER HN . 17879 1 1624 . 2 2 9 9 SER HA H 1 4.474 0.000 . 1 . . . B 605 SER HA . 17879 1 1625 . 2 2 9 9 SER HB2 H 1 3.853 0.000 . 2 . . . B 605 SER QB . 17879 1 1626 . 2 2 9 9 SER HB3 H 1 3.853 0.000 . 2 . . . B 605 SER QB . 17879 1 1627 . 2 2 9 9 SER C C 13 174.472 0.000 . 1 . . . B 605 SER C . 17879 1 1628 . 2 2 9 9 SER CA C 13 58.482 0.000 . 1 . . . B 605 SER CA . 17879 1 1629 . 2 2 9 9 SER CB C 13 63.719 0.000 . 1 . . . B 605 SER CB . 17879 1 1630 . 2 2 9 9 SER N N 15 116.752 0.000 . 1 . . . B 605 SER N . 17879 1 1631 . 2 2 10 10 VAL H H 1 8.082 0.000 . 1 . . . B 606 VAL HN . 17879 1 1632 . 2 2 10 10 VAL HA H 1 4.130 0.000 . 1 . . . B 606 VAL HA . 17879 1 1633 . 2 2 10 10 VAL HB H 1 2.080 0.000 . 1 . . . B 606 VAL HB . 17879 1 1634 . 2 2 10 10 VAL HG11 H 1 0.906 0.000 . . . . . B 606 VAL QG1 . 17879 1 1635 . 2 2 10 10 VAL HG12 H 1 0.906 0.000 . . . . . B 606 VAL QG1 . 17879 1 1636 . 2 2 10 10 VAL HG13 H 1 0.906 0.000 . . . . . B 606 VAL QG1 . 17879 1 1637 . 2 2 10 10 VAL HG21 H 1 0.920 0.000 . . . . . B 606 VAL QG2 . 17879 1 1638 . 2 2 10 10 VAL HG22 H 1 0.920 0.000 . . . . . B 606 VAL QG2 . 17879 1 1639 . 2 2 10 10 VAL HG23 H 1 0.920 0.000 . . . . . B 606 VAL QG2 . 17879 1 1640 . 2 2 10 10 VAL C C 13 176.077 0.000 . 1 . . . B 606 VAL C . 17879 1 1641 . 2 2 10 10 VAL CA C 13 62.519 0.000 . 1 . . . B 606 VAL CA . 17879 1 1642 . 2 2 10 10 VAL CB C 13 32.778 0.000 . 1 . . . B 606 VAL CB . 17879 1 1643 . 2 2 10 10 VAL CG1 C 13 21.195 0.000 . 2 . . . B 606 VAL CG1 . 17879 1 1644 . 2 2 10 10 VAL CG2 C 13 20.602 0.000 . 2 . . . B 606 VAL CG2 . 17879 1 1645 . 2 2 10 10 VAL N N 15 121.969 0.000 . 1 . . . B 606 VAL N . 17879 1 1646 . 2 2 11 11 ILE H H 1 8.130 0.000 . 1 . . . B 607 ILE HN . 17879 1 1647 . 2 2 11 11 ILE HA H 1 4.149 0.000 . 1 . . . B 607 ILE HA . 17879 1 1648 . 2 2 11 11 ILE HB H 1 1.843 0.000 . 1 . . . B 607 ILE HB . 17879 1 1649 . 2 2 11 11 ILE HG12 H 1 1.202 0.000 . 2 . . . B 607 ILE HG12 . 17879 1 1650 . 2 2 11 11 ILE HG13 H 1 1.484 0.000 . 2 . . . B 607 ILE HG13 . 17879 1 1651 . 2 2 11 11 ILE HG21 H 1 0.889 0.000 . . . . . B 607 ILE QG2 . 17879 1 1652 . 2 2 11 11 ILE HG22 H 1 0.889 0.000 . . . . . B 607 ILE QG2 . 17879 1 1653 . 2 2 11 11 ILE HG23 H 1 0.889 0.000 . . . . . B 607 ILE QG2 . 17879 1 1654 . 2 2 11 11 ILE HD11 H 1 0.842 0.000 . . . . . B 607 ILE QD1 . 17879 1 1655 . 2 2 11 11 ILE HD12 H 1 0.842 0.000 . . . . . B 607 ILE QD1 . 17879 1 1656 . 2 2 11 11 ILE HD13 H 1 0.842 0.000 . . . . . B 607 ILE QD1 . 17879 1 1657 . 2 2 11 11 ILE C C 13 176.140 0.000 . 1 . . . B 607 ILE C . 17879 1 1658 . 2 2 11 11 ILE CA C 13 61.155 0.000 . 1 . . . B 607 ILE CA . 17879 1 1659 . 2 2 11 11 ILE CB C 13 38.482 0.000 . 1 . . . B 607 ILE CB . 17879 1 1660 . 2 2 11 11 ILE CG1 C 13 27.465 0.002 . 1 . . . B 607 ILE CG1 . 17879 1 1661 . 2 2 11 11 ILE CG2 C 13 17.526 0.000 . 1 . . . B 607 ILE CG2 . 17879 1 1662 . 2 2 11 11 ILE CD1 C 13 12.743 0.000 . 1 . . . B 607 ILE CD1 . 17879 1 1663 . 2 2 11 11 ILE N N 15 124.453 0.000 . 1 . . . B 607 ILE N . 17879 1 1664 . 2 2 12 12 LYS H H 1 8.359 0.000 . 1 . . . B 608 LYS HN . 17879 1 1665 . 2 2 12 12 LYS HA H 1 4.283 0.000 . 1 . . . B 608 LYS HA . 17879 1 1666 . 2 2 12 12 LYS HB2 H 1 1.753 0.000 . 2 . . . B 608 LYS HB2 . 17879 1 1667 . 2 2 12 12 LYS HB3 H 1 1.821 0.000 . 2 . . . B 608 LYS HB3 . 17879 1 1668 . 2 2 12 12 LYS HG2 H 1 1.374 0.000 . 2 . . . B 608 LYS HG2 . 17879 1 1669 . 2 2 12 12 LYS HG3 H 1 1.443 0.000 . 2 . . . B 608 LYS HG3 . 17879 1 1670 . 2 2 12 12 LYS HD2 H 1 1.671 0.000 . 2 . . . B 608 LYS QD . 17879 1 1671 . 2 2 12 12 LYS HD3 H 1 1.671 0.000 . 2 . . . B 608 LYS QD . 17879 1 1672 . 2 2 12 12 LYS HE2 H 1 2.981 0.000 . 2 . . . B 608 LYS QE . 17879 1 1673 . 2 2 12 12 LYS HE3 H 1 2.981 0.000 . 2 . . . B 608 LYS QE . 17879 1 1674 . 2 2 12 12 LYS C C 13 176.411 0.000 . 1 . . . B 608 LYS C . 17879 1 1675 . 2 2 12 12 LYS CA C 13 56.557 0.000 . 1 . . . B 608 LYS CA . 17879 1 1676 . 2 2 12 12 LYS CB C 13 33.135 0.001 . 1 . . . B 608 LYS CB . 17879 1 1677 . 2 2 12 12 LYS CG C 13 24.837 0.000 . 1 . . . B 608 LYS CG . 17879 1 1678 . 2 2 12 12 LYS CD C 13 29.185 0.000 . 1 . . . B 608 LYS CD . 17879 1 1679 . 2 2 12 12 LYS CE C 13 42.137 0.000 . 1 . . . B 608 LYS CE . 17879 1 1680 . 2 2 12 12 LYS N N 15 125.812 0.000 . 1 . . . B 608 LYS N . 17879 1 1681 . 2 2 13 13 GLN H H 1 8.411 0.000 . 1 . . . B 609 GLN HN . 17879 1 1682 . 2 2 13 13 GLN HA H 1 4.302 0.000 . 1 . . . B 609 GLN HA . 17879 1 1683 . 2 2 13 13 GLN HB2 H 1 1.985 0.000 . 2 . . . B 609 GLN HB2 . 17879 1 1684 . 2 2 13 13 GLN HB3 H 1 2.088 0.000 . 2 . . . B 609 GLN HB3 . 17879 1 1685 . 2 2 13 13 GLN HG2 H 1 2.361 0.000 . 2 . . . B 609 GLN QG . 17879 1 1686 . 2 2 13 13 GLN HG3 H 1 2.361 0.000 . 2 . . . B 609 GLN QG . 17879 1 1687 . 2 2 13 13 GLN HE21 H 1 6.873 0.001 . 2 . . . B 609 GLN HE21 . 17879 1 1688 . 2 2 13 13 GLN HE22 H 1 7.556 0.000 . 2 . . . B 609 GLN HE22 . 17879 1 1689 . 2 2 13 13 GLN C C 13 176.080 0.000 . 1 . . . B 609 GLN C . 17879 1 1690 . 2 2 13 13 GLN CA C 13 56.187 0.000 . 1 . . . B 609 GLN CA . 17879 1 1691 . 2 2 13 13 GLN CB C 13 29.652 0.003 . 1 . . . B 609 GLN CB . 17879 1 1692 . 2 2 13 13 GLN CG C 13 33.931 0.000 . 1 . . . B 609 GLN CG . 17879 1 1693 . 2 2 13 13 GLN CD C 13 180.299 0.012 . 1 . . . B 609 GLN CD . 17879 1 1694 . 2 2 13 13 GLN N N 15 121.878 0.000 . 1 . . . B 609 GLN N . 17879 1 1695 . 2 2 13 13 GLN NE2 N 15 112.352 0.000 . 1 . . . B 609 GLN NE2 . 17879 1 1696 . 2 2 14 14 GLU H H 1 8.466 0.000 . 1 . . . B 610 GLU HN . 17879 1 1697 . 2 2 14 14 GLU HA H 1 4.305 0.000 . 1 . . . B 610 GLU HA . 17879 1 1698 . 2 2 14 14 GLU HB2 H 1 1.953 0.000 . 2 . . . B 610 GLU HB2 . 17879 1 1699 . 2 2 14 14 GLU HB3 H 1 2.013 0.000 . 2 . . . B 610 GLU HB3 . 17879 1 1700 . 2 2 14 14 GLU HG2 H 1 2.240 0.000 . 2 . . . B 610 GLU HG2 . 17879 1 1701 . 2 2 14 14 GLU HG3 H 1 2.285 0.000 . 2 . . . B 610 GLU HG3 . 17879 1 1702 . 2 2 14 14 GLU C C 13 176.712 0.000 . 1 . . . B 610 GLU C . 17879 1 1703 . 2 2 14 14 GLU CA C 13 56.879 0.000 . 1 . . . B 610 GLU CA . 17879 1 1704 . 2 2 14 14 GLU CB C 13 30.247 0.000 . 1 . . . B 610 GLU CB . 17879 1 1705 . 2 2 14 14 GLU CG C 13 36.222 0.003 . 1 . . . B 610 GLU CG . 17879 1 1706 . 2 2 14 14 GLU N N 15 122.374 0.000 . 1 . . . B 610 GLU N . 17879 1 1707 . 2 2 15 15 VAL H H 1 8.119 0.000 . 1 . . . B 611 VAL HN . 17879 1 1708 . 2 2 15 15 VAL HA H 1 4.049 0.000 . 1 . . . B 611 VAL HA . 17879 1 1709 . 2 2 15 15 VAL HB H 1 2.081 0.000 . 1 . . . B 611 VAL HB . 17879 1 1710 . 2 2 15 15 VAL HG11 H 1 0.938 0.000 . . . . . B 611 VAL QG1 . 17879 1 1711 . 2 2 15 15 VAL HG12 H 1 0.938 0.000 . . . . . B 611 VAL QG1 . 17879 1 1712 . 2 2 15 15 VAL HG13 H 1 0.938 0.000 . . . . . B 611 VAL QG1 . 17879 1 1713 . 2 2 15 15 VAL HG21 H 1 0.921 0.000 . . . . . B 611 VAL QG2 . 17879 1 1714 . 2 2 15 15 VAL HG22 H 1 0.921 0.000 . . . . . B 611 VAL QG2 . 17879 1 1715 . 2 2 15 15 VAL HG23 H 1 0.921 0.000 . . . . . B 611 VAL QG2 . 17879 1 1716 . 2 2 15 15 VAL C C 13 176.324 0.000 . 1 . . . B 611 VAL C . 17879 1 1717 . 2 2 15 15 VAL CA C 13 62.800 0.000 . 1 . . . B 611 VAL CA . 17879 1 1718 . 2 2 15 15 VAL CB C 13 32.741 0.000 . 1 . . . B 611 VAL CB . 17879 1 1719 . 2 2 15 15 VAL CG1 C 13 20.832 0.000 . 2 . . . B 611 VAL CG1 . 17879 1 1720 . 2 2 15 15 VAL CG2 C 13 21.278 0.000 . 2 . . . B 611 VAL CG2 . 17879 1 1721 . 2 2 15 15 VAL N N 15 120.329 0.000 . 1 . . . B 611 VAL N . 17879 1 1722 . 2 2 16 16 GLU H H 1 8.391 0.000 . 1 . . . B 612 GLU HN . 17879 1 1723 . 2 2 16 16 GLU HA H 1 4.230 0.000 . 1 . . . B 612 GLU HA . 17879 1 1724 . 2 2 16 16 GLU HB2 H 1 1.952 0.000 . 2 . . . B 612 GLU HB2 . 17879 1 1725 . 2 2 16 16 GLU HB3 H 1 2.037 0.000 . 2 . . . B 612 GLU HB3 . 17879 1 1726 . 2 2 16 16 GLU HG2 H 1 2.222 0.000 . 2 . . . B 612 GLU HG2 . 17879 1 1727 . 2 2 16 16 GLU HG3 H 1 2.276 0.000 . 2 . . . B 612 GLU HG3 . 17879 1 1728 . 2 2 16 16 GLU C C 13 176.450 0.000 . 1 . . . B 612 GLU C . 17879 1 1729 . 2 2 16 16 GLU CA C 13 56.996 0.000 . 1 . . . B 612 GLU CA . 17879 1 1730 . 2 2 16 16 GLU CB C 13 30.273 0.002 . 1 . . . B 612 GLU CB . 17879 1 1731 . 2 2 16 16 GLU CG C 13 36.417 0.005 . 1 . . . B 612 GLU CG . 17879 1 1732 . 2 2 16 16 GLU N N 15 123.835 0.000 . 1 . . . B 612 GLU N . 17879 1 1733 . 2 2 17 17 ARG H H 1 8.255 0.000 . 1 . . . B 613 ARG HN . 17879 1 1734 . 2 2 17 17 ARG HA H 1 4.320 0.000 . 1 . . . B 613 ARG HA . 17879 1 1735 . 2 2 17 17 ARG HB2 H 1 1.765 0.000 . 2 . . . B 613 ARG HB2 . 17879 1 1736 . 2 2 17 17 ARG HB3 H 1 1.848 0.000 . 2 . . . B 613 ARG HB3 . 17879 1 1737 . 2 2 17 17 ARG HG2 H 1 1.576 0.000 . 2 . . . B 613 ARG HG2 . 17879 1 1738 . 2 2 17 17 ARG HG3 H 1 1.632 0.000 . 2 . . . B 613 ARG HG3 . 17879 1 1739 . 2 2 17 17 ARG HD2 H 1 3.168 0.000 . 2 . . . B 613 ARG QD . 17879 1 1740 . 2 2 17 17 ARG HD3 H 1 3.168 0.000 . 2 . . . B 613 ARG QD . 17879 1 1741 . 2 2 17 17 ARG HE H 1 7.287 0.000 . 1 . . . B 613 ARG HE . 17879 1 1742 . 2 2 17 17 ARG C C 13 176.228 0.000 . 1 . . . B 613 ARG C . 17879 1 1743 . 2 2 17 17 ARG CA C 13 56.218 0.000 . 1 . . . B 613 ARG CA . 17879 1 1744 . 2 2 17 17 ARG CB C 13 30.827 0.002 . 1 . . . B 613 ARG CB . 17879 1 1745 . 2 2 17 17 ARG CG C 13 27.237 0.005 . 1 . . . B 613 ARG CG . 17879 1 1746 . 2 2 17 17 ARG CD C 13 43.398 0.000 . 1 . . . B 613 ARG CD . 17879 1 1747 . 2 2 17 17 ARG CZ C 13 159.641 0.000 . 1 . . . B 613 ARG CZ . 17879 1 1748 . 2 2 17 17 ARG N N 15 121.915 0.000 . 1 . . . B 613 ARG N . 17879 1 1749 . 2 2 17 17 ARG NE N 15 84.706 0.000 . 1 . . . B 613 ARG NE . 17879 1 1750 . 2 2 18 18 LEU H H 1 8.267 0.000 . 1 . . . B 614 LEU HN . 17879 1 1751 . 2 2 18 18 LEU HA H 1 4.330 0.000 . 1 . . . B 614 LEU HA . 17879 1 1752 . 2 2 18 18 LEU HB2 H 1 1.528 0.000 . 2 . . . B 614 LEU HB2 . 17879 1 1753 . 2 2 18 18 LEU HB3 H 1 1.679 0.000 . 2 . . . B 614 LEU HB3 . 17879 1 1754 . 2 2 18 18 LEU HG H 1 1.619 0.000 . 1 . . . B 614 LEU HG . 17879 1 1755 . 2 2 18 18 LEU HD11 H 1 0.833 0.000 . . . . . B 614 LEU QD1 . 17879 1 1756 . 2 2 18 18 LEU HD12 H 1 0.833 0.000 . . . . . B 614 LEU QD1 . 17879 1 1757 . 2 2 18 18 LEU HD13 H 1 0.833 0.000 . . . . . B 614 LEU QD1 . 17879 1 1758 . 2 2 18 18 LEU HD21 H 1 0.893 0.000 . . . . . B 614 LEU QD2 . 17879 1 1759 . 2 2 18 18 LEU HD22 H 1 0.893 0.000 . . . . . B 614 LEU QD2 . 17879 1 1760 . 2 2 18 18 LEU HD23 H 1 0.893 0.000 . . . . . B 614 LEU QD2 . 17879 1 1761 . 2 2 18 18 LEU C C 13 177.738 0.000 . 1 . . . B 614 LEU C . 17879 1 1762 . 2 2 18 18 LEU CA C 13 55.245 0.000 . 1 . . . B 614 LEU CA . 17879 1 1763 . 2 2 18 18 LEU CB C 13 42.358 0.000 . 1 . . . B 614 LEU CB . 17879 1 1764 . 2 2 18 18 LEU CG C 13 27.004 0.000 . 1 . . . B 614 LEU CG . 17879 1 1765 . 2 2 18 18 LEU CD1 C 13 23.497 0.000 . 2 . . . B 614 LEU CD1 . 17879 1 1766 . 2 2 18 18 LEU CD2 C 13 25.249 0.000 . 2 . . . B 614 LEU CD2 . 17879 1 1767 . 2 2 18 18 LEU N N 15 123.052 0.000 . 1 . . . B 614 LEU N . 17879 1 1768 . 2 2 19 19 GLY H H 1 8.346 0.000 . 1 . . . B 615 GLY HN . 17879 1 1769 . 2 2 19 19 GLY HA2 H 1 3.948 0.000 . 2 . . . B 615 GLY QA . 17879 1 1770 . 2 2 19 19 GLY HA3 H 1 3.948 0.000 . 2 . . . B 615 GLY QA . 17879 1 1771 . 2 2 19 19 GLY C C 13 173.926 0.000 . 1 . . . B 615 GLY C . 17879 1 1772 . 2 2 19 19 GLY CA C 13 45.395 0.000 . 1 . . . B 615 GLY CA . 17879 1 1773 . 2 2 19 19 GLY N N 15 109.092 0.000 . 1 . . . B 615 GLY N . 17879 1 1774 . 2 2 20 20 ASN H H 1 8.314 0.000 . 1 . . . B 616 ASN HN . 17879 1 1775 . 2 2 20 20 ASN HA H 1 4.698 0.000 . 1 . . . B 616 ASN HA . 17879 1 1776 . 2 2 20 20 ASN HB2 H 1 2.726 0.000 . 2 . . . B 616 ASN HB2 . 17879 1 1777 . 2 2 20 20 ASN HB3 H 1 2.820 0.000 . 2 . . . B 616 ASN HB3 . 17879 1 1778 . 2 2 20 20 ASN HD21 H 1 6.892 0.000 . 2 . . . B 616 ASN HD21 . 17879 1 1779 . 2 2 20 20 ASN HD22 H 1 7.582 0.002 . 2 . . . B 616 ASN HD22 . 17879 1 1780 . 2 2 20 20 ASN C C 13 174.953 0.000 . 1 . . . B 616 ASN C . 17879 1 1781 . 2 2 20 20 ASN CA C 13 53.490 0.000 . 1 . . . B 616 ASN CA . 17879 1 1782 . 2 2 20 20 ASN CB C 13 39.112 0.001 . 1 . . . B 616 ASN CB . 17879 1 1783 . 2 2 20 20 ASN CG C 13 176.928 0.011 . 1 . . . B 616 ASN CG . 17879 1 1784 . 2 2 20 20 ASN N N 15 118.277 0.000 . 1 . . . B 616 ASN N . 17879 1 1785 . 2 2 20 20 ASN ND2 N 15 112.742 0.002 . 1 . . . B 616 ASN ND2 . 17879 1 1786 . 2 2 21 21 ASP H H 1 8.421 0.000 . 1 . . . B 617 ASP HN . 17879 1 1787 . 2 2 21 21 ASP HA H 1 4.586 0.000 . 1 . . . B 617 ASP HA . 17879 1 1788 . 2 2 21 21 ASP HB2 H 1 2.602 0.000 . 2 . . . B 617 ASP HB2 . 17879 1 1789 . 2 2 21 21 ASP HB3 H 1 2.636 0.000 . 2 . . . B 617 ASP HB3 . 17879 1 1790 . 2 2 21 21 ASP C C 13 175.972 0.000 . 1 . . . B 617 ASP C . 17879 1 1791 . 2 2 21 21 ASP CA C 13 54.363 0.000 . 1 . . . B 617 ASP CA . 17879 1 1792 . 2 2 21 21 ASP CB C 13 41.166 0.005 . 1 . . . B 617 ASP CB . 17879 1 1793 . 2 2 21 21 ASP N N 15 119.904 0.000 . 1 . . . B 617 ASP N . 17879 1 1794 . 2 2 22 22 VAL H H 1 7.882 0.000 . 1 . . . B 618 VAL HN . 17879 1 1795 . 2 2 22 22 VAL HA H 1 4.035 0.000 . 1 . . . B 618 VAL HA . 17879 1 1796 . 2 2 22 22 VAL HB H 1 2.009 0.000 . 1 . . . B 618 VAL HB . 17879 1 1797 . 2 2 22 22 VAL HG11 H 1 0.792 0.000 . . . . . B 618 VAL QG1 . 17879 1 1798 . 2 2 22 22 VAL HG12 H 1 0.792 0.000 . . . . . B 618 VAL QG1 . 17879 1 1799 . 2 2 22 22 VAL HG13 H 1 0.792 0.000 . . . . . B 618 VAL QG1 . 17879 1 1800 . 2 2 22 22 VAL HG21 H 1 0.802 0.000 . . . . . B 618 VAL QG2 . 17879 1 1801 . 2 2 22 22 VAL HG22 H 1 0.802 0.000 . . . . . B 618 VAL QG2 . 17879 1 1802 . 2 2 22 22 VAL HG23 H 1 0.802 0.000 . . . . . B 618 VAL QG2 . 17879 1 1803 . 2 2 22 22 VAL C C 13 175.551 0.000 . 1 . . . B 618 VAL C . 17879 1 1804 . 2 2 22 22 VAL CA C 13 62.255 0.000 . 1 . . . B 618 VAL CA . 17879 1 1805 . 2 2 22 22 VAL CB C 13 32.818 0.000 . 1 . . . B 618 VAL CB . 17879 1 1806 . 2 2 22 22 VAL CG1 C 13 21.414 0.000 . 2 . . . B 618 VAL CG1 . 17879 1 1807 . 2 2 22 22 VAL CG2 C 13 20.564 0.000 . 2 . . . B 618 VAL CG2 . 17879 1 1808 . 2 2 22 22 VAL N N 15 118.639 0.000 . 1 . . . B 618 VAL N . 17879 1 1809 . 2 2 23 23 PHE H H 1 8.223 0.000 . 1 . . . B 619 PHE HN . 17879 1 1810 . 2 2 23 23 PHE HA H 1 4.618 0.000 . 1 . . . B 619 PHE HA . 17879 1 1811 . 2 2 23 23 PHE HB2 H 1 2.901 0.000 . 2 . . . B 619 PHE HB2 . 17879 1 1812 . 2 2 23 23 PHE HB3 H 1 2.967 0.000 . 2 . . . B 619 PHE HB3 . 17879 1 1813 . 2 2 23 23 PHE HD1 H 1 7.194 0.000 . 3 . . . B 619 PHE QD . 17879 1 1814 . 2 2 23 23 PHE HD2 H 1 7.194 0.000 . 3 . . . B 619 PHE QD . 17879 1 1815 . 2 2 23 23 PHE HE1 H 1 7.229 0.000 . 3 . . . B 619 PHE QE . 17879 1 1816 . 2 2 23 23 PHE HE2 H 1 7.229 0.000 . 3 . . . B 619 PHE QE . 17879 1 1817 . 2 2 23 23 PHE HZ H 1 7.115 0.000 . 1 . . . B 619 PHE HZ . 17879 1 1818 . 2 2 23 23 PHE C C 13 175.634 0.000 . 1 . . . B 619 PHE C . 17879 1 1819 . 2 2 23 23 PHE CA C 13 57.318 0.000 . 1 . . . B 619 PHE CA . 17879 1 1820 . 2 2 23 23 PHE CB C 13 39.558 0.000 . 1 . . . B 619 PHE CB . 17879 1 1821 . 2 2 23 23 PHE CD1 C 13 131.770 0.000 . 3 . . . B 619 PHE CD1 . 17879 1 1822 . 2 2 23 23 PHE CE1 C 13 131.434 0.000 . 3 . . . B 619 PHE CE1 . 17879 1 1823 . 2 2 23 23 PHE CZ C 13 129.649 0.000 . 1 . . . B 619 PHE CZ . 17879 1 1824 . 2 2 23 23 PHE N N 15 122.033 0.000 . 1 . . . B 619 PHE N . 17879 1 1825 . 2 2 24 24 GLU H H 1 8.273 0.000 . 1 . . . B 620 GLU HN . 17879 1 1826 . 2 2 24 24 GLU HA H 1 4.267 0.000 . 1 . . . B 620 GLU HA . 17879 1 1827 . 2 2 24 24 GLU HB2 H 1 1.962 0.000 . 2 . . . B 620 GLU QB . 17879 1 1828 . 2 2 24 24 GLU HB3 H 1 1.962 0.000 . 2 . . . B 620 GLU QB . 17879 1 1829 . 2 2 24 24 GLU HG2 H 1 2.163 0.000 . 2 . . . B 620 GLU QG . 17879 1 1830 . 2 2 24 24 GLU HG3 H 1 2.163 0.000 . 2 . . . B 620 GLU QG . 17879 1 1831 . 2 2 24 24 GLU C C 13 175.851 0.000 . 1 . . . B 620 GLU C . 17879 1 1832 . 2 2 24 24 GLU CA C 13 56.767 0.000 . 1 . . . B 620 GLU CA . 17879 1 1833 . 2 2 24 24 GLU CB C 13 30.511 0.000 . 1 . . . B 620 GLU CB . 17879 1 1834 . 2 2 24 24 GLU CG C 13 36.215 0.000 . 1 . . . B 620 GLU CG . 17879 1 1835 . 2 2 24 24 GLU N N 15 121.922 0.000 . 1 . . . B 620 GLU N . 17879 1 1836 . 2 2 25 25 TRP H H 1 7.850 0.000 . 1 . . . B 621 TRP HN . 17879 1 1837 . 2 2 25 25 TRP HA H 1 4.680 0.000 . 1 . . . B 621 TRP HA . 17879 1 1838 . 2 2 25 25 TRP HB2 H 1 2.952 0.000 . 2 . . . B 621 TRP HB2 . 17879 1 1839 . 2 2 25 25 TRP HB3 H 1 3.184 0.000 . 2 . . . B 621 TRP HB3 . 17879 1 1840 . 2 2 25 25 TRP HD1 H 1 7.267 0.000 . 1 . . . B 621 TRP HD1 . 17879 1 1841 . 2 2 25 25 TRP HE1 H 1 10.396 0.000 . 1 . . . B 621 TRP HE1 . 17879 1 1842 . 2 2 25 25 TRP HE3 H 1 7.556 0.000 . 1 . . . B 621 TRP HE3 . 17879 1 1843 . 2 2 25 25 TRP HZ2 H 1 7.338 0.000 . 1 . . . B 621 TRP HZ2 . 17879 1 1844 . 2 2 25 25 TRP HZ3 H 1 7.043 0.000 . 1 . . . B 621 TRP HZ3 . 17879 1 1845 . 2 2 25 25 TRP HH2 H 1 7.011 0.000 . 1 . . . B 621 TRP HH2 . 17879 1 1846 . 2 2 25 25 TRP C C 13 176.040 0.000 . 1 . . . B 621 TRP C . 17879 1 1847 . 2 2 25 25 TRP CA C 13 56.697 0.000 . 1 . . . B 621 TRP CA . 17879 1 1848 . 2 2 25 25 TRP CB C 13 32.374 0.009 . 1 . . . B 621 TRP CB . 17879 1 1849 . 2 2 25 25 TRP CD1 C 13 127.632 0.000 . 1 . . . B 621 TRP CD1 . 17879 1 1850 . 2 2 25 25 TRP CE3 C 13 121.316 0.000 . 1 . . . B 621 TRP CE3 . 17879 1 1851 . 2 2 25 25 TRP CZ2 C 13 114.764 0.000 . 1 . . . B 621 TRP CZ2 . 17879 1 1852 . 2 2 25 25 TRP CZ3 C 13 121.411 0.000 . 1 . . . B 621 TRP CZ3 . 17879 1 1853 . 2 2 25 25 TRP CH2 C 13 124.074 0.000 . 1 . . . B 621 TRP CH2 . 17879 1 1854 . 2 2 25 25 TRP N N 15 120.736 0.000 . 1 . . . B 621 TRP N . 17879 1 1855 . 2 2 25 25 TRP NE1 N 15 130.565 0.000 . 1 . . . B 621 TRP NE1 . 17879 1 1856 . 2 2 26 26 GLU H H 1 8.027 0.000 . 1 . . . B 622 GLU HN . 17879 1 1857 . 2 2 26 26 GLU HA H 1 4.151 0.000 . 1 . . . B 622 GLU HA . 17879 1 1858 . 2 2 26 26 GLU HB2 H 1 1.752 0.000 . 2 . . . B 622 GLU HB2 . 17879 1 1859 . 2 2 26 26 GLU HB3 H 1 1.823 0.000 . 2 . . . B 622 GLU HB3 . 17879 1 1860 . 2 2 26 26 GLU HG2 H 1 1.964 0.000 . 2 . . . B 622 GLU HG2 . 17879 1 1861 . 2 2 26 26 GLU HG3 H 1 1.999 0.000 . 2 . . . B 622 GLU HG3 . 17879 1 1862 . 2 2 26 26 GLU C C 13 175.641 0.000 . 1 . . . B 622 GLU C . 17879 1 1863 . 2 2 26 26 GLU CA C 13 57.093 0.000 . 1 . . . B 622 GLU CA . 17879 1 1864 . 2 2 26 26 GLU CB C 13 30.434 0.002 . 1 . . . B 622 GLU CB . 17879 1 1865 . 2 2 26 26 GLU CG C 13 36.209 0.003 . 1 . . . B 622 GLU CG . 17879 1 1866 . 2 2 26 26 GLU N N 15 122.552 0.000 . 1 . . . B 622 GLU N . 17879 1 1867 . 2 2 27 27 ASP H H 1 8.141 0.000 . 1 . . . B 623 ASP HN . 17879 1 1868 . 2 2 27 27 ASP HA H 1 4.628 0.000 . 1 . . . B 623 ASP HA . 17879 1 1869 . 2 2 27 27 ASP HB2 H 1 2.550 0.000 . 2 . . . B 623 ASP HB2 . 17879 1 1870 . 2 2 27 27 ASP HB3 H 1 2.731 0.000 . 2 . . . B 623 ASP HB3 . 17879 1 1871 . 2 2 27 27 ASP C C 13 175.769 0.000 . 1 . . . B 623 ASP C . 17879 1 1872 . 2 2 27 27 ASP CA C 13 54.152 0.000 . 1 . . . B 623 ASP CA . 17879 1 1873 . 2 2 27 27 ASP CB C 13 41.861 0.005 . 1 . . . B 623 ASP CB . 17879 1 1874 . 2 2 27 27 ASP N N 15 120.965 0.000 . 1 . . . B 623 ASP N . 17879 1 1875 . 2 2 28 28 ASP H H 1 8.241 0.000 . 1 . . . B 624 ASP HN . 17879 1 1876 . 2 2 28 28 ASP HA H 1 4.602 0.000 . 1 . . . B 624 ASP HA . 17879 1 1877 . 2 2 28 28 ASP HB2 H 1 2.655 0.000 . 2 . . . B 624 ASP QB . 17879 1 1878 . 2 2 28 28 ASP HB3 H 1 2.655 0.000 . 2 . . . B 624 ASP QB . 17879 1 1879 . 2 2 28 28 ASP C C 13 176.588 0.000 . 1 . . . B 624 ASP C . 17879 1 1880 . 2 2 28 28 ASP CA C 13 54.630 0.000 . 1 . . . B 624 ASP CA . 17879 1 1881 . 2 2 28 28 ASP CB C 13 41.514 0.000 . 1 . . . B 624 ASP CB . 17879 1 1882 . 2 2 28 28 ASP N N 15 120.962 0.000 . 1 . . . B 624 ASP N . 17879 1 1883 . 2 2 29 29 GLU H H 1 8.519 0.000 . 1 . . . B 625 GLU HN . 17879 1 1884 . 2 2 29 29 GLU HA H 1 4.305 0.000 . 1 . . . B 625 GLU HA . 17879 1 1885 . 2 2 29 29 GLU HB2 H 1 1.965 0.000 . 2 . . . B 625 GLU HB2 . 17879 1 1886 . 2 2 29 29 GLU HB3 H 1 2.115 0.000 . 2 . . . B 625 GLU HB3 . 17879 1 1887 . 2 2 29 29 GLU HG2 H 1 2.230 0.000 . 2 . . . B 625 GLU HG2 . 17879 1 1888 . 2 2 29 29 GLU HG3 H 1 2.285 0.000 . 2 . . . B 625 GLU HG3 . 17879 1 1889 . 2 2 29 29 GLU C C 13 176.461 0.000 . 1 . . . B 625 GLU C . 17879 1 1890 . 2 2 29 29 GLU CA C 13 56.767 0.000 . 1 . . . B 625 GLU CA . 17879 1 1891 . 2 2 29 29 GLU CB C 13 30.248 0.006 . 1 . . . B 625 GLU CB . 17879 1 1892 . 2 2 29 29 GLU CG C 13 36.440 0.004 . 1 . . . B 625 GLU CG . 17879 1 1893 . 2 2 29 29 GLU N N 15 121.292 0.000 . 1 . . . B 625 GLU N . 17879 1 1894 . 2 2 30 30 SER H H 1 8.323 0.000 . 1 . . . B 626 SER HN . 17879 1 1895 . 2 2 30 30 SER HA H 1 4.423 0.000 . 1 . . . B 626 SER HA . 17879 1 1896 . 2 2 30 30 SER HB2 H 1 3.846 0.000 . 2 . . . B 626 SER HB2 . 17879 1 1897 . 2 2 30 30 SER HB3 H 1 3.917 0.000 . 2 . . . B 626 SER HB3 . 17879 1 1898 . 2 2 30 30 SER C C 13 174.341 0.000 . 1 . . . B 626 SER C . 17879 1 1899 . 2 2 30 30 SER CA C 13 58.514 0.000 . 1 . . . B 626 SER CA . 17879 1 1900 . 2 2 30 30 SER CB C 13 63.953 0.004 . 1 . . . B 626 SER CB . 17879 1 1901 . 2 2 30 30 SER N N 15 116.111 0.000 . 1 . . . B 626 SER N . 17879 1 1902 . 2 2 31 31 ASP H H 1 8.278 0.000 . 1 . . . B 627 ASP HN . 17879 1 1903 . 2 2 31 31 ASP HA H 1 4.617 0.000 . 1 . . . B 627 ASP HA . 17879 1 1904 . 2 2 31 31 ASP HB2 H 1 2.628 0.000 . 2 . . . B 627 ASP HB2 . 17879 1 1905 . 2 2 31 31 ASP HB3 H 1 2.727 0.000 . 2 . . . B 627 ASP HB3 . 17879 1 1906 . 2 2 31 31 ASP C C 13 176.004 0.000 . 1 . . . B 627 ASP C . 17879 1 1907 . 2 2 31 31 ASP CA C 13 54.410 0.000 . 1 . . . B 627 ASP CA . 17879 1 1908 . 2 2 31 31 ASP CB C 13 41.348 0.003 . 1 . . . B 627 ASP CB . 17879 1 1909 . 2 2 31 31 ASP N N 15 122.546 0.000 . 1 . . . B 627 ASP N . 17879 1 1910 . 2 2 32 32 GLU H H 1 8.217 0.000 . 1 . . . B 628 GLU HN . 17879 1 1911 . 2 2 32 32 GLU HA H 1 4.250 0.000 . 1 . . . B 628 GLU HA . 17879 1 1912 . 2 2 32 32 GLU HB2 H 1 1.953 0.000 . 2 . . . B 628 GLU HB2 . 17879 1 1913 . 2 2 32 32 GLU HB3 H 1 2.055 0.000 . 2 . . . B 628 GLU HB3 . 17879 1 1914 . 2 2 32 32 GLU HG2 H 1 2.230 0.000 . 2 . . . B 628 GLU HG2 . 17879 1 1915 . 2 2 32 32 GLU HG3 H 1 2.319 0.000 . 2 . . . B 628 GLU HG3 . 17879 1 1916 . 2 2 32 32 GLU C C 13 176.322 0.000 . 1 . . . B 628 GLU C . 17879 1 1917 . 2 2 32 32 GLU CA C 13 57.273 0.000 . 1 . . . B 628 GLU CA . 17879 1 1918 . 2 2 32 32 GLU CB C 13 30.493 0.003 . 1 . . . B 628 GLU CB . 17879 1 1919 . 2 2 32 32 GLU CG C 13 36.276 0.004 . 1 . . . B 628 GLU CG . 17879 1 1920 . 2 2 32 32 GLU N N 15 120.743 0.000 . 1 . . . B 628 GLU N . 17879 1 1921 . 2 2 33 33 ILE H H 1 8.073 0.000 . 1 . . . B 629 ILE HN . 17879 1 1922 . 2 2 33 33 ILE HA H 1 3.975 0.000 . 1 . . . B 629 ILE HA . 17879 1 1923 . 2 2 33 33 ILE HB H 1 1.550 0.000 . 1 . . . B 629 ILE HB . 17879 1 1924 . 2 2 33 33 ILE HG12 H 1 0.970 0.000 . 2 . . . B 629 ILE HG12 . 17879 1 1925 . 2 2 33 33 ILE HG13 H 1 1.100 0.000 . 2 . . . B 629 ILE HG13 . 17879 1 1926 . 2 2 33 33 ILE HG21 H 1 0.523 0.000 . . . . . B 629 ILE QG2 . 17879 1 1927 . 2 2 33 33 ILE HG22 H 1 0.523 0.000 . . . . . B 629 ILE QG2 . 17879 1 1928 . 2 2 33 33 ILE HG23 H 1 0.523 0.000 . . . . . B 629 ILE QG2 . 17879 1 1929 . 2 2 33 33 ILE HD11 H 1 0.552 0.000 . . . . . B 629 ILE QD1 . 17879 1 1930 . 2 2 33 33 ILE HD12 H 1 0.552 0.000 . . . . . B 629 ILE QD1 . 17879 1 1931 . 2 2 33 33 ILE HD13 H 1 0.552 0.000 . . . . . B 629 ILE QD1 . 17879 1 1932 . 2 2 33 33 ILE C C 13 173.873 0.000 . 1 . . . B 629 ILE C . 17879 1 1933 . 2 2 33 33 ILE CA C 13 60.199 0.000 . 1 . . . B 629 ILE CA . 17879 1 1934 . 2 2 33 33 ILE CB C 13 37.477 0.000 . 1 . . . B 629 ILE CB . 17879 1 1935 . 2 2 33 33 ILE CG1 C 13 26.808 0.001 . 1 . . . B 629 ILE CG1 . 17879 1 1936 . 2 2 33 33 ILE CG2 C 13 17.014 0.000 . 1 . . . B 629 ILE CG2 . 17879 1 1937 . 2 2 33 33 ILE CD1 C 13 13.088 0.000 . 1 . . . B 629 ILE CD1 . 17879 1 1938 . 2 2 33 33 ILE N N 15 120.905 0.000 . 1 . . . B 629 ILE N . 17879 1 1939 . 2 2 34 34 ALA H H 1 7.726 0.000 . 1 . . . B 630 ALA HN . 17879 1 1940 . 2 2 34 34 ALA HA H 1 4.242 0.000 . 1 . . . B 630 ALA HA . 17879 1 1941 . 2 2 34 34 ALA HB1 H 1 1.350 0.000 . . . . . B 630 ALA QB . 17879 1 1942 . 2 2 34 34 ALA HB2 H 1 1.350 0.000 . . . . . B 630 ALA QB . 17879 1 1943 . 2 2 34 34 ALA HB3 H 1 1.350 0.000 . . . . . B 630 ALA QB . 17879 1 1944 . 2 2 34 34 ALA CA C 13 53.488 0.000 . 1 . . . B 630 ALA CA . 17879 1 1945 . 2 2 34 34 ALA CB C 13 21.059 0.000 . 1 . . . B 630 ALA CB . 17879 1 1946 . 2 2 34 34 ALA N N 15 132.760 0.000 . 1 . . . B 630 ALA N . 17879 1 stop_ save_