data_18715 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18715 _Entry.Title ; Structure of HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidylcholine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-14 _Entry.Accession_date 2012-09-14 _Entry.Last_release_date 2013-02-11 _Entry.Original_release_date 2013-02-11 _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 Jiri Vlach . . . 18715 2 Jamil Saad . . . 18715 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' . 18715 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Gag . 18715 HIV-1 . 18715 lipid . 18715 matrix . 18715 'plasma membrane' . 18715 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18715 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 18715 '15N chemical shifts' 131 18715 '1H chemical shifts' 880 18715 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 . . 2013-02-11 2012-09-14 original author . 18715 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18716 'HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidyl-L-serine' 18715 PDB 2LYA 'BMRB Entry Tracking System' 18715 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18715 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Model for the interaction between HIV-1 Gag and plasma membrane' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Jiri Vlach . . . 18715 1 2 Jamil Saad . . . 18715 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18715 _Assembly.ID 1 _Assembly.Name MA _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 MA 1 $MA A . yes native no no . . . 18715 1 2 entity_PC8 2 $entity_PC8 B . yes native no no . . . 18715 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MA _Entity.Sf_category entity _Entity.Sf_framecode MA _Entity.Entry_ID 18715 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MA _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 ; GARASVLSGGELDKWEKIRL RPGGKKQYKLKHIVWASREL ERFAVNPGLLETSEGCRQIL GQLQPSLQTGSEELRSLYNT IAVLYCVHQRIDVKDTKEAL DKIEEEQNKSKKKAQQAAAD TGNNSQVSQNY ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14734.753 _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 yes EMBL P12493 . p17 . . . . . . . . . . . . . . 18715 1 2 no BMRB 15114 . Gag_polyprotein . . . . . 100.00 131 99.24 99.24 1.83e-88 . . . . 18715 1 3 no BMRB 15116 . Gag_polyprotein . . . . . 100.00 131 99.24 99.24 3.00e-88 . . . . 18715 1 4 no BMRB 18716 . MA . . . . . 100.00 131 100.00 100.00 2.46e-89 . . . . 18715 1 5 no PDB 1HIW . "Trimeric Hiv-1 Matrix Protein" . . . . . 100.00 133 100.00 100.00 1.98e-89 . . . . 18715 1 6 no PDB 1L6N . "Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein" . . . . . 100.00 289 100.00 100.00 8.66e-88 . . . . 18715 1 7 no PDB 1UPH . "Hiv-1 Myristoylated Matrix" . . . . . 99.24 132 100.00 100.00 3.00e-88 . . . . 18715 1 8 no PDB 2GOL . "Xray Structure Of Gag278" . . . . . 100.00 133 100.00 100.00 1.98e-89 . . . . 18715 1 9 no PDB 2H3F . "Solution Structure Of The Hiv-1 Ma Protein" . . . . . 99.24 131 100.00 100.00 2.90e-88 . . . . 18715 1 10 no PDB 2H3I . "Solution Structure Of The Hiv-1 Myristoylated Matrix Protein" . . . . . 98.47 131 100.00 100.00 2.05e-87 . . . . 18715 1 11 no PDB 2H3Q . "Solution Structure Of Hiv-1 Myrma Bound To Di-c4-phosphatidylinositol- (4,5)-bisphosphate" . . . . . 98.47 131 100.00 100.00 2.05e-87 . . . . 18715 1 12 no PDB 2H3V . "Structure Of The Hiv-1 Matrix Protein Bound To Di-C8- Phosphatidylinositol-(4,5)-Bisphosphate" . . . . . 99.24 131 100.00 100.00 2.90e-88 . . . . 18715 1 13 no PDB 2H3Z . "Structure Of The Hiv-1 Matrix Protein Bound To Di-c4- Phosphatidylinositol-(4,5)-bisphosphate" . . . . . 99.24 131 100.00 100.00 2.90e-88 . . . . 18715 1 14 no PDB 2HMX . "Human Immunodeficiency Virus Type 1 Matrix Protein" . . . . . 99.24 133 100.00 100.00 2.28e-88 . . . . 18715 1 15 no PDB 2JMG . "Solution Structure Of V7r Mutant Of Hiv-1 Myristoylated Matrix Protein" . . . . . 98.47 131 99.22 99.22 2.58e-86 . . . . 18715 1 16 no PDB 2LYA . "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidylcholine" . . . . . 100.00 137 100.00 100.00 2.28e-89 . . . . 18715 1 17 no PDB 2LYB . "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidyl-l-serine" . . . . . 100.00 137 100.00 100.00 2.28e-89 . . . . 18715 1 18 no PDB 2NV3 . "Solution Structure Of L8a Mutant Of Hiv-1 Myristoylated Matrix Protein" . . . . . 98.47 131 99.22 99.22 1.46e-86 . . . . 18715 1 19 no PDB 4JMU . "Crystal Structure Of Hiv Matrix Residues 1-111 In Complex With Inhibitor" . . . . . 83.97 112 100.00 100.00 3.09e-73 . . . . 18715 1 20 no DBJ BAF34641 . "gag polyprotein [HIV-1 vector pNL-DT5R]" . . . . . 100.00 498 100.00 100.00 1.04e-84 . . . . 18715 1 21 no DBJ BAG48474 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 147 100.00 100.00 1.74e-89 . . . . 18715 1 22 no EMBL CBI61180 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 99.24 99.24 2.11e-83 . . . . 18715 1 23 no EMBL CBI61181 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 99.24 99.24 4.22e-84 . . . . 18715 1 24 no EMBL CBI61182 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 99.24 100.00 2.96e-84 . . . . 18715 1 25 no EMBL CBI61183 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 99.24 99.24 5.40e-84 . . . . 18715 1 26 no EMBL CBI61184 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 100.00 100.00 7.81e-85 . . . . 18715 1 27 no GB AAA44987 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 500 100.00 100.00 1.06e-84 . . . . 18715 1 28 no GB AAB00898 . "p17 protein, partial [Human immunodeficiency virus 1]" . . . . . 78.63 117 97.09 99.03 9.82e-64 . . . . 18715 1 29 no GB AAB60571 . "Gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 500 100.00 100.00 1.06e-84 . . . . 18715 1 30 no GB AAC28445 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 500 97.71 98.47 1.09e-82 . . . . 18715 1 31 no GB AAC29216 . "Gag [Human immunodeficiency virus 1]" . . . . . 63.36 83 98.80 100.00 2.92e-52 . . . . 18715 1 32 no SP P12493 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 500 100.00 100.00 1.06e-84 . . . . 18715 1 33 no SP P12497 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1435 100.00 100.00 1.03e-79 . . . . 18715 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 2 GLY . 18715 1 2 3 ALA . 18715 1 3 4 ARG . 18715 1 4 5 ALA . 18715 1 5 6 SER . 18715 1 6 7 VAL . 18715 1 7 8 LEU . 18715 1 8 9 SER . 18715 1 9 10 GLY . 18715 1 10 11 GLY . 18715 1 11 12 GLU . 18715 1 12 13 LEU . 18715 1 13 14 ASP . 18715 1 14 15 LYS . 18715 1 15 16 TRP . 18715 1 16 17 GLU . 18715 1 17 18 LYS . 18715 1 18 19 ILE . 18715 1 19 20 ARG . 18715 1 20 21 LEU . 18715 1 21 22 ARG . 18715 1 22 23 PRO . 18715 1 23 24 GLY . 18715 1 24 25 GLY . 18715 1 25 26 LYS . 18715 1 26 27 LYS . 18715 1 27 28 GLN . 18715 1 28 29 TYR . 18715 1 29 30 LYS . 18715 1 30 31 LEU . 18715 1 31 32 LYS . 18715 1 32 33 HIS . 18715 1 33 34 ILE . 18715 1 34 35 VAL . 18715 1 35 36 TRP . 18715 1 36 37 ALA . 18715 1 37 38 SER . 18715 1 38 39 ARG . 18715 1 39 40 GLU . 18715 1 40 41 LEU . 18715 1 41 42 GLU . 18715 1 42 43 ARG . 18715 1 43 44 PHE . 18715 1 44 45 ALA . 18715 1 45 46 VAL . 18715 1 46 47 ASN . 18715 1 47 48 PRO . 18715 1 48 49 GLY . 18715 1 49 50 LEU . 18715 1 50 51 LEU . 18715 1 51 52 GLU . 18715 1 52 53 THR . 18715 1 53 54 SER . 18715 1 54 55 GLU . 18715 1 55 56 GLY . 18715 1 56 57 CYS . 18715 1 57 58 ARG . 18715 1 58 59 GLN . 18715 1 59 60 ILE . 18715 1 60 61 LEU . 18715 1 61 62 GLY . 18715 1 62 63 GLN . 18715 1 63 64 LEU . 18715 1 64 65 GLN . 18715 1 65 66 PRO . 18715 1 66 67 SER . 18715 1 67 68 LEU . 18715 1 68 69 GLN . 18715 1 69 70 THR . 18715 1 70 71 GLY . 18715 1 71 72 SER . 18715 1 72 73 GLU . 18715 1 73 74 GLU . 18715 1 74 75 LEU . 18715 1 75 76 ARG . 18715 1 76 77 SER . 18715 1 77 78 LEU . 18715 1 78 79 TYR . 18715 1 79 80 ASN . 18715 1 80 81 THR . 18715 1 81 82 ILE . 18715 1 82 83 ALA . 18715 1 83 84 VAL . 18715 1 84 85 LEU . 18715 1 85 86 TYR . 18715 1 86 87 CYS . 18715 1 87 88 VAL . 18715 1 88 89 HIS . 18715 1 89 90 GLN . 18715 1 90 91 ARG . 18715 1 91 92 ILE . 18715 1 92 93 ASP . 18715 1 93 94 VAL . 18715 1 94 95 LYS . 18715 1 95 96 ASP . 18715 1 96 97 THR . 18715 1 97 98 LYS . 18715 1 98 99 GLU . 18715 1 99 100 ALA . 18715 1 100 101 LEU . 18715 1 101 102 ASP . 18715 1 102 103 LYS . 18715 1 103 104 ILE . 18715 1 104 105 GLU . 18715 1 105 106 GLU . 18715 1 106 107 GLU . 18715 1 107 108 GLN . 18715 1 108 109 ASN . 18715 1 109 110 LYS . 18715 1 110 111 SER . 18715 1 111 112 LYS . 18715 1 112 113 LYS . 18715 1 113 114 LYS . 18715 1 114 115 ALA . 18715 1 115 116 GLN . 18715 1 116 117 GLN . 18715 1 117 118 ALA . 18715 1 118 119 ALA . 18715 1 119 120 ALA . 18715 1 120 121 ASP . 18715 1 121 122 THR . 18715 1 122 123 GLY . 18715 1 123 124 ASN . 18715 1 124 125 ASN . 18715 1 125 126 SER . 18715 1 126 127 GLN . 18715 1 127 128 VAL . 18715 1 128 129 SER . 18715 1 129 130 GLN . 18715 1 130 131 ASN . 18715 1 131 132 TYR . 18715 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18715 1 . ALA 2 2 18715 1 . ARG 3 3 18715 1 . ALA 4 4 18715 1 . SER 5 5 18715 1 . VAL 6 6 18715 1 . LEU 7 7 18715 1 . SER 8 8 18715 1 . GLY 9 9 18715 1 . GLY 10 10 18715 1 . GLU 11 11 18715 1 . LEU 12 12 18715 1 . ASP 13 13 18715 1 . LYS 14 14 18715 1 . TRP 15 15 18715 1 . GLU 16 16 18715 1 . LYS 17 17 18715 1 . ILE 18 18 18715 1 . ARG 19 19 18715 1 . LEU 20 20 18715 1 . ARG 21 21 18715 1 . PRO 22 22 18715 1 . GLY 23 23 18715 1 . GLY 24 24 18715 1 . LYS 25 25 18715 1 . LYS 26 26 18715 1 . GLN 27 27 18715 1 . TYR 28 28 18715 1 . LYS 29 29 18715 1 . LEU 30 30 18715 1 . LYS 31 31 18715 1 . HIS 32 32 18715 1 . ILE 33 33 18715 1 . VAL 34 34 18715 1 . TRP 35 35 18715 1 . ALA 36 36 18715 1 . SER 37 37 18715 1 . ARG 38 38 18715 1 . GLU 39 39 18715 1 . LEU 40 40 18715 1 . GLU 41 41 18715 1 . ARG 42 42 18715 1 . PHE 43 43 18715 1 . ALA 44 44 18715 1 . VAL 45 45 18715 1 . ASN 46 46 18715 1 . PRO 47 47 18715 1 . GLY 48 48 18715 1 . LEU 49 49 18715 1 . LEU 50 50 18715 1 . GLU 51 51 18715 1 . THR 52 52 18715 1 . SER 53 53 18715 1 . GLU 54 54 18715 1 . GLY 55 55 18715 1 . CYS 56 56 18715 1 . ARG 57 57 18715 1 . GLN 58 58 18715 1 . ILE 59 59 18715 1 . LEU 60 60 18715 1 . GLY 61 61 18715 1 . GLN 62 62 18715 1 . LEU 63 63 18715 1 . GLN 64 64 18715 1 . PRO 65 65 18715 1 . SER 66 66 18715 1 . LEU 67 67 18715 1 . GLN 68 68 18715 1 . THR 69 69 18715 1 . GLY 70 70 18715 1 . SER 71 71 18715 1 . GLU 72 72 18715 1 . GLU 73 73 18715 1 . LEU 74 74 18715 1 . ARG 75 75 18715 1 . SER 76 76 18715 1 . LEU 77 77 18715 1 . TYR 78 78 18715 1 . ASN 79 79 18715 1 . THR 80 80 18715 1 . ILE 81 81 18715 1 . ALA 82 82 18715 1 . VAL 83 83 18715 1 . LEU 84 84 18715 1 . TYR 85 85 18715 1 . CYS 86 86 18715 1 . VAL 87 87 18715 1 . HIS 88 88 18715 1 . GLN 89 89 18715 1 . ARG 90 90 18715 1 . ILE 91 91 18715 1 . ASP 92 92 18715 1 . VAL 93 93 18715 1 . LYS 94 94 18715 1 . ASP 95 95 18715 1 . THR 96 96 18715 1 . LYS 97 97 18715 1 . GLU 98 98 18715 1 . ALA 99 99 18715 1 . LEU 100 100 18715 1 . ASP 101 101 18715 1 . LYS 102 102 18715 1 . ILE 103 103 18715 1 . GLU 104 104 18715 1 . GLU 105 105 18715 1 . GLU 106 106 18715 1 . GLN 107 107 18715 1 . ASN 108 108 18715 1 . LYS 109 109 18715 1 . SER 110 110 18715 1 . LYS 111 111 18715 1 . LYS 112 112 18715 1 . LYS 113 113 18715 1 . ALA 114 114 18715 1 . GLN 115 115 18715 1 . GLN 116 116 18715 1 . ALA 117 117 18715 1 . ALA 118 118 18715 1 . ALA 119 119 18715 1 . ASP 120 120 18715 1 . THR 121 121 18715 1 . GLY 122 122 18715 1 . ASN 123 123 18715 1 . ASN 124 124 18715 1 . SER 125 125 18715 1 . GLN 126 126 18715 1 . VAL 127 127 18715 1 . SER 128 128 18715 1 . GLN 129 129 18715 1 . ASN 130 130 18715 1 . TYR 131 131 18715 1 stop_ save_ save_entity_PC8 _Entity.Sf_category entity _Entity.Sf_framecode entity_PC8 _Entity.Entry_ID 18715 _Entity.ID 2 _Entity.BMRB_code PC8 _Entity.Name 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PC8 _Entity.Nonpolymer_comp_label $chem_comp_PC8 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 510.622 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE BMRB 18715 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE BMRB 18715 2 PC8 'Three letter code' 18715 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 1 PC8 $chem_comp_PC8 18715 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 PC8 C1 18715 2 2 1 PC8 C10 18715 2 3 1 PC8 C11 18715 2 4 1 PC8 C12 18715 2 5 1 PC8 C13 18715 2 6 1 PC8 C14 18715 2 7 1 PC8 C15 18715 2 8 1 PC8 C16 18715 2 9 1 PC8 C17 18715 2 10 1 PC8 C18 18715 2 11 1 PC8 C19 18715 2 12 1 PC8 C2 18715 2 13 1 PC8 C20 18715 2 14 1 PC8 C21 18715 2 15 1 PC8 C22 18715 2 16 1 PC8 C23 18715 2 17 1 PC8 C24 18715 2 18 1 PC8 C3 18715 2 19 1 PC8 C4 18715 2 20 1 PC8 C5 18715 2 21 1 PC8 C6 18715 2 22 1 PC8 C7 18715 2 23 1 PC8 C8 18715 2 24 1 PC8 C9 18715 2 25 1 PC8 H1 18715 2 26 1 PC8 H10 18715 2 27 1 PC8 H11 18715 2 28 1 PC8 H12 18715 2 29 1 PC8 H13 18715 2 30 1 PC8 H14 18715 2 31 1 PC8 H15 18715 2 32 1 PC8 H16 18715 2 33 1 PC8 H17 18715 2 34 1 PC8 H18 18715 2 35 1 PC8 H19 18715 2 36 1 PC8 H1P 18715 2 37 1 PC8 H2 18715 2 38 1 PC8 H20 18715 2 39 1 PC8 H21 18715 2 40 1 PC8 H22 18715 2 41 1 PC8 H23 18715 2 42 1 PC8 H24 18715 2 43 1 PC8 H25 18715 2 44 1 PC8 H26 18715 2 45 1 PC8 H27 18715 2 46 1 PC8 H28 18715 2 47 1 PC8 H29 18715 2 48 1 PC8 H3 18715 2 49 1 PC8 H30 18715 2 50 1 PC8 H31 18715 2 51 1 PC8 H32 18715 2 52 1 PC8 H33 18715 2 53 1 PC8 H34 18715 2 54 1 PC8 H35 18715 2 55 1 PC8 H36 18715 2 56 1 PC8 H37 18715 2 57 1 PC8 H38 18715 2 58 1 PC8 H39 18715 2 59 1 PC8 H4 18715 2 60 1 PC8 H40 18715 2 61 1 PC8 H41 18715 2 62 1 PC8 H42 18715 2 63 1 PC8 H43 18715 2 64 1 PC8 H44 18715 2 65 1 PC8 H45 18715 2 66 1 PC8 H46 18715 2 67 1 PC8 H47 18715 2 68 1 PC8 H48 18715 2 69 1 PC8 H5 18715 2 70 1 PC8 H6 18715 2 71 1 PC8 H7 18715 2 72 1 PC8 H8 18715 2 73 1 PC8 H9 18715 2 74 1 PC8 N1 18715 2 75 1 PC8 O1 18715 2 76 1 PC8 O2 18715 2 77 1 PC8 O3 18715 2 78 1 PC8 O4 18715 2 79 1 PC8 O5 18715 2 80 1 PC8 O6 18715 2 81 1 PC8 O7 18715 2 82 1 PC8 O8 18715 2 83 1 PC8 P1 18715 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 18715 _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 $MA . 12721 virus . HIV HIV . . Viruses . Lentivirus . . . . . . . . . . . . . . . . . . . . . . 18715 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 18715 _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 $MA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11a . . . . . . 18715 1 2 2 $entity_PC8 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18715 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PC8 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PC8 _Chem_comp.Entry_ID 18715 _Chem_comp.ID PC8 _Chem_comp.Provenance PDB _Chem_comp.Name 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PC8 _Chem_comp.PDB_code PC8 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PC8 _Chem_comp.Number_atoms_all 83 _Chem_comp.Number_atoms_nh 34 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/p+1/t22-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C24 H49 N O8 P' _Chem_comp.Formula_weight 510.622 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1TAJ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC SMILES 'OpenEye OEToolkits' 1.5.0 18715 PC8 CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18715 PC8 CCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC SMILES_CANONICAL CACTVS 3.341 18715 PC8 CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC SMILES CACTVS 3.341 18715 PC8 InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/p+1/t22-/m1/s1 InChI InChI 1.03 18715 PC8 O=C(OCC(OC(=O)CCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC SMILES ACDLabs 10.04 18715 PC8 YHIXRNNWDBPKPW-JOCHJYFZSA-O InChIKey InChI 1.03 18715 PC8 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18715 PC8 '(4R,7R)-4-hydroxy-N,N,N-trimethyl-7-(octanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptadecan-1-aminium 4-oxide' 'SYSTEMATIC NAME' ACDLabs 10.04 18715 PC8 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 11.093 . 28.044 . 11.087 . 1.105 3.082 -2.105 1 . 18715 PC8 O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 13.362 . 29.208 . 10.815 . -0.883 3.409 -0.584 2 . 18715 PC8 P1 P1 P1 P1 . P . . R 0 . . . 1 no no . . . . 12.065 . 28.778 . 10.257 . 0.306 2.557 -0.809 3 . 18715 PC8 O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 11.363 . 30.089 . 9.685 . 1.269 2.628 0.479 4 . 18715 PC8 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 11.028 . 30.185 . 8.308 . 1.552 4.009 0.708 5 . 18715 PC8 C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 9.747 . 29.375 . 7.948 . 2.468 4.148 1.926 6 . 18715 PC8 N1 N1 N1 N1 . N . . N 1 . . . 1 no no . . . . 9.552 . 29.008 . 6.495 . 3.779 3.560 1.622 7 . 18715 PC8 C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.983 . 30.114 . 5.589 . 4.318 4.170 0.399 8 . 18715 PC8 C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 8.098 . 28.752 . 6.270 . 4.699 3.810 2.740 9 . 18715 PC8 C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 10.305 . 27.764 . 6.153 . 3.632 2.112 1.423 10 . 18715 PC8 O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 12.348 . 27.933 . 8.927 . -0.161 1.035 -1.047 11 . 18715 PC8 C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.013 . 26.557 . 8.829 . -1.100 1.054 -2.124 12 . 18715 PC8 C7 C7 C7 C7 . C . . R 0 . . . 1 no no . . . . 12.782 . 25.790 . 7.724 . -1.586 -0.369 -2.403 13 . 18715 PC8 C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 14.018 . 25.064 . 8.281 . -0.382 -1.278 -2.660 14 . 18715 PC8 O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 13.735 . 23.718 . 8.633 . 0.538 -1.190 -1.540 15 . 18715 PC8 C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 13.470 . 22.388 . 8.620 . 1.673 -1.906 -1.547 16 . 18715 PC8 O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 13.414 . 22.818 . 9.795 . 1.929 -2.625 -2.484 17 . 18715 PC8 C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.004 . 20.972 . 8.392 . 2.629 -1.815 -0.385 18 . 18715 PC8 C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 15.397 . 20.950 . 7.733 . 3.832 -2.724 -0.641 19 . 18715 PC8 C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 15.590 . 22.052 . 6.669 . 4.802 -2.630 0.538 20 . 18715 PC8 C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 15.653 . 21.526 . 5.221 . 6.006 -3.539 0.281 21 . 18715 PC8 C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 15.625 . 22.634 . 4.150 . 6.976 -3.446 1.461 22 . 18715 PC8 C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 16.661 . 23.737 . 4.443 . 8.180 -4.355 1.204 23 . 18715 PC8 C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 16.008 . 25.014 . 4.988 . 9.150 -4.262 2.384 24 . 18715 PC8 O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . 11.923 . 24.885 . 7.032 . -2.328 -0.861 -1.256 25 . 18715 PC8 C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . 11.426 . 24.371 . 5.875 . -3.653 -0.663 -1.179 26 . 18715 PC8 O8 O8 O8 O8 . O . . N 0 . . . 1 no no . . . . 11.268 . 23.646 . 6.885 . -4.229 -0.077 -2.064 27 . 18715 PC8 C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . 10.475 . 24.151 . 4.694 . -4.423 -1.174 0.012 28 . 18715 PC8 C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 9.597 . 22.895 . 4.844 . -5.903 -0.820 -0.148 29 . 18715 PC8 C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . 10.206 . 21.634 . 4.194 . -6.685 -1.337 1.061 30 . 18715 PC8 C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . 11.483 . 21.124 . 4.895 . -8.165 -0.983 0.902 31 . 18715 PC8 C22 C22 C22 C22 . C . . N 0 . . . 1 no no . . . . 11.823 . 19.654 . 4.573 . -8.946 -1.501 2.111 32 . 18715 PC8 C23 C23 C23 C23 . C . . N 0 . . . 1 no no . . . . 12.333 . 19.482 . 3.130 . -10.426 -1.147 1.951 33 . 18715 PC8 C24 C24 C24 C24 . C . . N 0 . . . 1 no no . . . . 13.846 . 19.714 . 3.019 . -11.208 -1.665 3.160 34 . 18715 PC8 H1P H1P H1P H1P . H . . N 0 . . . 1 no no . . . . 10.258 . 27.767 . 10.728 . 1.870 2.501 -2.216 35 . 18715 PC8 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 11.858 . 29.854 . 7.682 . 2.047 4.428 -0.168 36 . 18715 PC8 H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 10.842 . 31.236 . 8.092 . 0.621 4.546 0.890 37 . 18715 PC8 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 8.888 . 29.959 . 8.286 . 2.590 5.203 2.170 38 . 18715 PC8 H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 9.759 . 28.458 . 8.541 . 2.024 3.627 2.775 39 . 18715 PC8 H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 9.453 . 31.036 . 5.836 . 4.427 5.244 0.546 40 . 18715 PC8 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 9.776 . 29.860 . 4.548 . 5.291 3.733 0.174 41 . 18715 PC8 H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 11.055 . 30.294 . 5.687 . 3.635 3.984 -0.430 42 . 18715 PC8 H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 7.953 . 28.127 . 5.386 . 5.672 3.374 2.514 43 . 18715 PC8 H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 7.565 . 29.693 . 6.120 . 4.808 4.884 2.887 44 . 18715 PC8 H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 7.659 . 28.241 . 7.130 . 4.299 3.357 3.647 45 . 18715 PC8 H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 10.058 . 27.432 . 5.143 . 3.113 1.925 0.484 46 . 18715 PC8 H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 10.050 . 26.959 . 6.846 . 4.618 1.647 1.392 47 . 18715 PC8 H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 11.380 . 27.941 . 6.208 . 3.057 1.688 2.247 48 . 18715 PC8 H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 12.172 . 26.062 . 9.787 . -0.620 1.456 -3.017 49 . 18715 PC8 H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 10.947 . 26.506 . 8.616 . -1.949 1.682 -1.854 50 . 18715 PC8 H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . 13.142 . 26.517 . 6.998 . -2.233 -0.367 -3.280 51 . 18715 PC8 H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . 14.378 . 25.591 . 9.164 . 0.123 -0.962 -3.572 52 . 18715 PC8 H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . 14.807 . 25.073 . 7.528 . -0.722 -2.308 -2.770 53 . 18715 PC8 H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . 14.075 . 20.483 . 9.364 . 2.123 -2.130 0.528 54 . 18715 PC8 H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 13.299 . 20.401 . 7.784 . 2.968 -0.785 -0.274 55 . 18715 PC8 H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 15.528 . 19.977 . 7.255 . 4.338 -2.408 -1.554 56 . 18715 PC8 H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 16.154 . 21.045 . 8.511 . 3.493 -3.753 -0.752 57 . 18715 PC8 H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 14.752 . 22.749 . 6.738 . 4.297 -2.946 1.450 58 . 18715 PC8 H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . 16.503 . 22.611 . 6.876 . 5.142 -1.600 0.649 59 . 18715 PC8 H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . 14.792 . 20.874 . 5.068 . 6.512 -3.223 -0.631 60 . 18715 PC8 H26 H26 H26 H26 . H . . N 0 . . . 1 no no . . . . 16.554 . 20.921 . 5.099 . 5.667 -4.569 0.171 61 . 18715 PC8 H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . 15.838 . 22.194 . 3.173 . 6.470 -3.762 2.373 62 . 18715 PC8 H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . 14.631 . 23.083 . 4.120 . 7.316 -2.416 1.571 63 . 18715 PC8 H29 H29 H29 H29 . H . . N 0 . . . 1 no no . . . . 17.198 . 23.983 . 3.526 . 8.686 -4.039 0.292 64 . 18715 PC8 H30 H30 H30 H30 . H . . N 0 . . . 1 no no . . . . 17.381 . 23.371 . 5.178 . 7.840 -5.385 1.094 65 . 18715 PC8 H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 15.083 . 24.769 . 5.512 . 9.490 -3.232 2.494 66 . 18715 PC8 H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 15.777 . 25.686 . 4.160 . 8.644 -4.578 3.296 67 . 18715 PC8 H33 H33 H33 H33 . H . . N 0 . . . 1 no no . . . . 16.691 . 25.522 . 5.672 . 10.008 -4.909 2.201 68 . 18715 PC8 H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . 9.826 . 25.022 . 4.612 . -4.314 -2.256 0.079 69 . 18715 PC8 H35 H35 H35 H35 . H . . N 0 . . . 1 no no . . . . 11.043 . 24.073 . 3.764 . -4.035 -0.712 0.920 70 . 18715 PC8 H36 H36 H36 H36 . H . . N 0 . . . 1 no no . . . . 8.631 . 23.106 . 4.383 . -6.013 0.263 -0.215 71 . 18715 PC8 H37 H37 H37 H37 . H . . N 0 . . . 1 no no . . . . 9.423 . 22.709 . 5.902 . -6.291 -1.281 -1.056 72 . 18715 PC8 H38 H38 H38 H38 . H . . N 0 . . . 1 no no . . . . 9.462 . 20.835 . 4.175 . -6.575 -2.420 1.128 73 . 18715 PC8 H39 H39 H39 H39 . H . . N 0 . . . 1 no no . . . . 10.468 . 21.865 . 3.161 . -6.297 -0.876 1.969 74 . 18715 PC8 H40 H40 H40 H40 . H . . N 0 . . . 1 no no . . . . 11.378 . 21.248 . 5.974 . -8.274 0.099 0.835 75 . 18715 PC8 H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 12.314 . 21.749 . 4.566 . -8.553 -1.445 -0.007 76 . 18715 PC8 H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 12.589 . 19.296 . 5.264 . -8.837 -2.584 2.177 77 . 18715 PC8 H43 H43 H43 H43 . H . . N 0 . . . 1 no no . . . . 10.925 . 19.046 . 4.708 . -8.558 -1.040 3.019 78 . 18715 PC8 H44 H44 H44 H44 . H . . N 0 . . . 1 no no . . . . 11.818 . 20.189 . 2.478 . -10.536 -0.065 1.884 79 . 18715 PC8 H45 H45 H45 H45 . H . . N 0 . . . 1 no no . . . . 12.112 . 18.472 . 2.783 . -10.814 -1.608 1.043 80 . 18715 PC8 H46 H46 H46 H46 . H . . N 0 . . . 1 no no . . . . 14.077 . 20.773 . 3.130 . -11.099 -2.747 3.227 81 . 18715 PC8 H47 H47 H47 H47 . H . . N 0 . . . 1 no no . . . . 14.197 . 19.375 . 2.044 . -10.820 -1.204 4.068 82 . 18715 PC8 H48 H48 H48 H48 . H . . N 0 . . . 1 no no . . . . 14.369 . 19.153 . 3.797 . -12.262 -1.413 3.046 83 . 18715 PC8 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O1 P1 no N 1 . 18715 PC8 2 . SING O1 H1P no N 2 . 18715 PC8 3 . DOUB O2 P1 no N 3 . 18715 PC8 4 . SING P1 O3 no N 4 . 18715 PC8 5 . SING P1 O4 no N 5 . 18715 PC8 6 . SING O3 C1 no N 6 . 18715 PC8 7 . SING C1 C2 no N 7 . 18715 PC8 8 . SING C1 H1 no N 8 . 18715 PC8 9 . SING C1 H2 no N 9 . 18715 PC8 10 . SING C2 N1 no N 10 . 18715 PC8 11 . SING C2 H3 no N 11 . 18715 PC8 12 . SING C2 H4 no N 12 . 18715 PC8 13 . SING N1 C3 no N 13 . 18715 PC8 14 . SING N1 C4 no N 14 . 18715 PC8 15 . SING N1 C5 no N 15 . 18715 PC8 16 . SING C3 H5 no N 16 . 18715 PC8 17 . SING C3 H6 no N 17 . 18715 PC8 18 . SING C3 H7 no N 18 . 18715 PC8 19 . SING C4 H8 no N 19 . 18715 PC8 20 . SING C4 H9 no N 20 . 18715 PC8 21 . SING C4 H10 no N 21 . 18715 PC8 22 . SING C5 H11 no N 22 . 18715 PC8 23 . SING C5 H12 no N 23 . 18715 PC8 24 . SING C5 H13 no N 24 . 18715 PC8 25 . SING O4 C6 no N 25 . 18715 PC8 26 . SING C6 C7 no N 26 . 18715 PC8 27 . SING C6 H14 no N 27 . 18715 PC8 28 . SING C6 H15 no N 28 . 18715 PC8 29 . SING C7 C8 no N 29 . 18715 PC8 30 . SING C7 O7 no N 30 . 18715 PC8 31 . SING C7 H16 no N 31 . 18715 PC8 32 . SING C8 O5 no N 32 . 18715 PC8 33 . SING C8 H17 no N 33 . 18715 PC8 34 . SING C8 H18 no N 34 . 18715 PC8 35 . SING O5 C9 no N 35 . 18715 PC8 36 . DOUB C9 O6 no N 36 . 18715 PC8 37 . SING C9 C10 no N 37 . 18715 PC8 38 . SING C10 C11 no N 38 . 18715 PC8 39 . SING C10 H19 no N 39 . 18715 PC8 40 . SING C10 H20 no N 40 . 18715 PC8 41 . SING C11 C12 no N 41 . 18715 PC8 42 . SING C11 H21 no N 42 . 18715 PC8 43 . SING C11 H22 no N 43 . 18715 PC8 44 . SING C12 C13 no N 44 . 18715 PC8 45 . SING C12 H23 no N 45 . 18715 PC8 46 . SING C12 H24 no N 46 . 18715 PC8 47 . SING C13 C14 no N 47 . 18715 PC8 48 . SING C13 H25 no N 48 . 18715 PC8 49 . SING C13 H26 no N 49 . 18715 PC8 50 . SING C14 C15 no N 50 . 18715 PC8 51 . SING C14 H27 no N 51 . 18715 PC8 52 . SING C14 H28 no N 52 . 18715 PC8 53 . SING C15 C16 no N 53 . 18715 PC8 54 . SING C15 H29 no N 54 . 18715 PC8 55 . SING C15 H30 no N 55 . 18715 PC8 56 . SING C16 H31 no N 56 . 18715 PC8 57 . SING C16 H32 no N 57 . 18715 PC8 58 . SING C16 H33 no N 58 . 18715 PC8 59 . SING O7 C17 no N 59 . 18715 PC8 60 . DOUB C17 O8 no N 60 . 18715 PC8 61 . SING C17 C18 no N 61 . 18715 PC8 62 . SING C18 C19 no N 62 . 18715 PC8 63 . SING C18 H34 no N 63 . 18715 PC8 64 . SING C18 H35 no N 64 . 18715 PC8 65 . SING C19 C20 no N 65 . 18715 PC8 66 . SING C19 H36 no N 66 . 18715 PC8 67 . SING C19 H37 no N 67 . 18715 PC8 68 . SING C20 C21 no N 68 . 18715 PC8 69 . SING C20 H38 no N 69 . 18715 PC8 70 . SING C20 H39 no N 70 . 18715 PC8 71 . SING C21 C22 no N 71 . 18715 PC8 72 . SING C21 H40 no N 72 . 18715 PC8 73 . SING C21 H41 no N 73 . 18715 PC8 74 . SING C22 C23 no N 74 . 18715 PC8 75 . SING C22 H42 no N 75 . 18715 PC8 76 . SING C22 H43 no N 76 . 18715 PC8 77 . SING C23 C24 no N 77 . 18715 PC8 78 . SING C23 H44 no N 78 . 18715 PC8 79 . SING C23 H45 no N 79 . 18715 PC8 80 . SING C24 H46 no N 80 . 18715 PC8 81 . SING C24 H47 no N 81 . 18715 PC8 82 . SING C24 H48 no N 82 . 18715 PC8 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18715 _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 MA '[U-95% 13C]' . . 1 $MA . . 0.4 . . mM . . . . 18715 1 2 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 'natural abundance' . . 2 $entity_PC8 . . . 0.8 1.0 mM . . . . 18715 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18715 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18715 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18715 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18715 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18715 _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 MA '[U-95% 13C; U-95% 15N]' . . 1 $MA . . . 0.4 1.0 mM . . . . 18715 2 2 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 'natural abundance' . . 2 $entity_PC8 . . . 0.8 1.0 mM . . . . 18715 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18715 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18715 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18715 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18715 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 18715 _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' 50 . mM 18715 1 pH 5.5 . pH 18715 1 pressure 1 . atm 18715 1 temperature 308 . K 18715 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18715 _Software.ID 1 _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' . . 18715 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18715 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18715 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18715 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18715 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18715 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18715 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18715 3 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 18715 _Software.ID 4 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18715 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18715 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18715 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18715 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II' . 700 . . . 18715 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 18715 _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 '3D 13C-edited/13C-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18715 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 18715 _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 . . . . . . . . . 18715 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18715 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18715 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 18715 _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 3 '2D 1H-13C HSQC' . . . 18715 1 11 '2D 1H-15N HSQC' . . . 18715 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.973 0.000 . 1 . . . A 2 GLY HA2 . 18715 1 2 . 1 1 1 1 GLY CA C 13 47.792 0.000 . 1 . . . A 2 GLY CA . 18715 1 3 . 1 1 1 1 GLY N N 15 110.842 0.000 . 1 . . . A 2 GLY N . 18715 1 4 . 1 1 2 2 ALA H H 1 8.183 0.000 . 1 . . . A 3 ALA H . 18715 1 5 . 1 1 2 2 ALA HA H 1 4.328 0.000 . 1 . . . A 3 ALA HA . 18715 1 6 . 1 1 2 2 ALA HB1 H 1 1.538 0.000 . 1 . . . A 3 ALA HB1 . 18715 1 7 . 1 1 2 2 ALA HB2 H 1 1.538 0.000 . 1 . . . A 3 ALA HB2 . 18715 1 8 . 1 1 2 2 ALA HB3 H 1 1.538 0.000 . 1 . . . A 3 ALA HB3 . 18715 1 9 . 1 1 2 2 ALA CA C 13 52.537 0.000 . 1 . . . A 3 ALA CA . 18715 1 10 . 1 1 2 2 ALA CB C 13 17.251 0.000 . 1 . . . A 3 ALA CB . 18715 1 11 . 1 1 2 2 ALA N N 15 123.842 0.000 . 1 . . . A 3 ALA N . 18715 1 12 . 1 1 3 3 ARG H H 1 8.429 0.000 . 1 . . . A 4 ARG H . 18715 1 13 . 1 1 3 3 ARG HA H 1 4.256 0.000 . 1 . . . A 4 ARG HA . 18715 1 14 . 1 1 3 3 ARG HB2 H 1 1.788 0.000 . 1 . . . A 4 ARG HB2 . 18715 1 15 . 1 1 3 3 ARG HB3 H 1 1.788 0.000 . 1 . . . A 4 ARG HB3 . 18715 1 16 . 1 1 3 3 ARG HG2 H 1 1.664 0.000 . 1 . . . A 4 ARG HG2 . 18715 1 17 . 1 1 3 3 ARG HG3 H 1 1.664 0.000 . 1 . . . A 4 ARG HG3 . 18715 1 18 . 1 1 3 3 ARG HD2 H 1 3.187 0.000 . 1 . . . A 4 ARG HD2 . 18715 1 19 . 1 1 3 3 ARG CA C 13 55.965 0.000 . 1 . . . A 4 ARG CA . 18715 1 20 . 1 1 3 3 ARG CB C 13 30.961 0.000 . 1 . . . A 4 ARG CB . 18715 1 21 . 1 1 3 3 ARG CG C 13 27.313 0.000 . 1 . . . A 4 ARG CG . 18715 1 22 . 1 1 3 3 ARG CD C 13 43.427 0.000 . 1 . . . A 4 ARG CD . 18715 1 23 . 1 1 3 3 ARG N N 15 120.165 0.000 . 1 . . . A 4 ARG N . 18715 1 24 . 1 1 4 4 ALA H H 1 8.370 0.000 . 1 . . . A 5 ALA H . 18715 1 25 . 1 1 4 4 ALA HA H 1 4.282 0.000 . 1 . . . A 5 ALA HA . 18715 1 26 . 1 1 4 4 ALA HB1 H 1 1.328 0.000 . 1 . . . A 5 ALA HB1 . 18715 1 27 . 1 1 4 4 ALA HB2 H 1 1.328 0.000 . 1 . . . A 5 ALA HB2 . 18715 1 28 . 1 1 4 4 ALA HB3 H 1 1.328 0.000 . 1 . . . A 5 ALA HB3 . 18715 1 29 . 1 1 4 4 ALA CA C 13 52.371 0.000 . 1 . . . A 5 ALA CA . 18715 1 30 . 1 1 4 4 ALA CB C 13 19.672 0.000 . 1 . . . A 5 ALA CB . 18715 1 31 . 1 1 4 4 ALA N N 15 125.165 0.000 . 1 . . . A 5 ALA N . 18715 1 32 . 1 1 5 5 SER H H 1 8.134 0.000 . 1 . . . A 6 SER H . 18715 1 33 . 1 1 5 5 SER HA H 1 4.479 0.000 . 1 . . . A 6 SER HA . 18715 1 34 . 1 1 5 5 SER HB2 H 1 3.790 0.000 . 1 . . . A 6 SER HB2 . 18715 1 35 . 1 1 5 5 SER CA C 13 57.804 0.000 . 1 . . . A 6 SER CA . 18715 1 36 . 1 1 5 5 SER CB C 13 64.034 0.000 . 1 . . . A 6 SER CB . 18715 1 37 . 1 1 5 5 SER N N 15 114.540 0.000 . 1 . . . A 6 SER N . 18715 1 38 . 1 1 6 6 VAL H H 1 8.119 0.000 . 1 . . . A 7 VAL H . 18715 1 39 . 1 1 6 6 VAL HA H 1 3.617 0.000 . 1 . . . A 7 VAL HA . 18715 1 40 . 1 1 6 6 VAL HB H 1 1.828 0.000 . 1 . . . A 7 VAL HB . 18715 1 41 . 1 1 6 6 VAL HG11 H 1 0.818 0.001 . 1 . . . A 7 VAL HG11 . 18715 1 42 . 1 1 6 6 VAL HG12 H 1 0.818 0.001 . 1 . . . A 7 VAL HG12 . 18715 1 43 . 1 1 6 6 VAL HG13 H 1 0.818 0.001 . 1 . . . A 7 VAL HG13 . 18715 1 44 . 1 1 6 6 VAL HG21 H 1 0.750 0.002 . 1 . . . A 7 VAL HG21 . 18715 1 45 . 1 1 6 6 VAL HG22 H 1 0.750 0.002 . 1 . . . A 7 VAL HG22 . 18715 1 46 . 1 1 6 6 VAL HG23 H 1 0.750 0.002 . 1 . . . A 7 VAL HG23 . 18715 1 47 . 1 1 6 6 VAL CA C 13 65.711 0.014 . 1 . . . A 7 VAL CA . 18715 1 48 . 1 1 6 6 VAL CB C 13 31.936 0.001 . 1 . . . A 7 VAL CB . 18715 1 49 . 1 1 6 6 VAL CG1 C 13 22.364 0.031 . 1 . . . A 7 VAL CG1 . 18715 1 50 . 1 1 6 6 VAL CG2 C 13 22.426 0.037 . 1 . . . A 7 VAL CG2 . 18715 1 51 . 1 1 6 6 VAL N N 15 121.415 0.000 . 1 . . . A 7 VAL N . 18715 1 52 . 1 1 7 7 LEU H H 1 7.382 0.000 . 1 . . . A 8 LEU H . 18715 1 53 . 1 1 7 7 LEU HA H 1 4.932 0.005 . 1 . . . A 8 LEU HA . 18715 1 54 . 1 1 7 7 LEU HB2 H 1 1.460 0.000 . 1 . . . A 8 LEU HB2 . 18715 1 55 . 1 1 7 7 LEU HB3 H 1 1.460 0.000 . 1 . . . A 8 LEU HB3 . 18715 1 56 . 1 1 7 7 LEU HG H 1 1.063 0.000 . 1 . . . A 8 LEU HG . 18715 1 57 . 1 1 7 7 LEU HD11 H 1 0.204 0.003 . 1 . . . A 8 LEU HD11 . 18715 1 58 . 1 1 7 7 LEU HD12 H 1 0.204 0.003 . 1 . . . A 8 LEU HD12 . 18715 1 59 . 1 1 7 7 LEU HD13 H 1 0.204 0.003 . 1 . . . A 8 LEU HD13 . 18715 1 60 . 1 1 7 7 LEU HD21 H 1 0.319 0.003 . 1 . . . A 8 LEU HD21 . 18715 1 61 . 1 1 7 7 LEU HD22 H 1 0.319 0.003 . 1 . . . A 8 LEU HD22 . 18715 1 62 . 1 1 7 7 LEU HD23 H 1 0.319 0.003 . 1 . . . A 8 LEU HD23 . 18715 1 63 . 1 1 7 7 LEU CA C 13 52.507 0.050 . 1 . . . A 8 LEU CA . 18715 1 64 . 1 1 7 7 LEU CB C 13 44.303 0.016 . 1 . . . A 8 LEU CB . 18715 1 65 . 1 1 7 7 LEU CG C 13 26.109 0.000 . 1 . . . A 8 LEU CG . 18715 1 66 . 1 1 7 7 LEU CD1 C 13 26.293 0.029 . 1 . . . A 8 LEU CD1 . 18715 1 67 . 1 1 7 7 LEU CD2 C 13 23.091 0.027 . 1 . . . A 8 LEU CD2 . 18715 1 68 . 1 1 7 7 LEU N N 15 115.478 0.000 . 1 . . . A 8 LEU N . 18715 1 69 . 1 1 8 8 SER H H 1 9.166 0.000 . 1 . . . A 9 SER H . 18715 1 70 . 1 1 8 8 SER HA H 1 4.606 0.000 . 1 . . . A 9 SER HA . 18715 1 71 . 1 1 8 8 SER HB2 H 1 3.980 0.000 . 1 . . . A 9 SER HB2 . 18715 1 72 . 1 1 8 8 SER HB3 H 1 3.980 0.000 . 1 . . . A 9 SER HB3 . 18715 1 73 . 1 1 8 8 SER CA C 13 57.197 0.000 . 1 . . . A 9 SER CA . 18715 1 74 . 1 1 8 8 SER CB C 13 65.426 0.000 . 1 . . . A 9 SER CB . 18715 1 75 . 1 1 8 8 SER N N 15 118.290 0.000 . 1 . . . A 9 SER N . 18715 1 76 . 1 1 9 9 GLY H H 1 8.959 0.000 . 1 . . . A 10 GLY H . 18715 1 77 . 1 1 9 9 GLY HA2 H 1 3.861 0.000 . 1 . . . A 10 GLY HA2 . 18715 1 78 . 1 1 9 9 GLY HA3 H 1 3.997 0.000 . 1 . . . A 10 GLY HA3 . 18715 1 79 . 1 1 9 9 GLY CA C 13 47.674 0.000 . 1 . . . A 10 GLY CA . 18715 1 80 . 1 1 9 9 GLY N N 15 109.228 0.000 . 1 . . . A 10 GLY N . 18715 1 81 . 1 1 10 10 GLY H H 1 8.782 0.000 . 1 . . . A 11 GLY H . 18715 1 82 . 1 1 10 10 GLY HA2 H 1 3.933 0.000 . 1 . . . A 11 GLY HA2 . 18715 1 83 . 1 1 10 10 GLY HA3 H 1 4.009 0.000 . 1 . . . A 11 GLY HA3 . 18715 1 84 . 1 1 10 10 GLY CA C 13 46.661 0.000 . 1 . . . A 11 GLY CA . 18715 1 85 . 1 1 10 10 GLY N N 15 111.102 0.000 . 1 . . . A 11 GLY N . 18715 1 86 . 1 1 11 11 GLU H H 1 7.751 0.000 . 1 . . . A 12 GLU H . 18715 1 87 . 1 1 11 11 GLU HA H 1 3.950 0.000 . 1 . . . A 12 GLU HA . 18715 1 88 . 1 1 11 11 GLU HB2 H 1 2.276 0.000 . 1 . . . A 12 GLU HB2 . 18715 1 89 . 1 1 11 11 GLU HB3 H 1 1.786 0.000 . 1 . . . A 12 GLU HB3 . 18715 1 90 . 1 1 11 11 GLU HG2 H 1 2.129 0.000 . 1 . . . A 12 GLU HG2 . 18715 1 91 . 1 1 11 11 GLU HG3 H 1 2.582 0.000 . 1 . . . A 12 GLU HG3 . 18715 1 92 . 1 1 11 11 GLU CA C 13 59.096 0.000 . 1 . . . A 12 GLU CA . 18715 1 93 . 1 1 11 11 GLU CB C 13 31.290 0.000 . 1 . . . A 12 GLU CB . 18715 1 94 . 1 1 11 11 GLU CG C 13 37.323 0.000 . 1 . . . A 12 GLU CG . 18715 1 95 . 1 1 11 11 GLU N N 15 120.165 0.000 . 1 . . . A 12 GLU N . 18715 1 96 . 1 1 12 12 LEU H H 1 8.340 0.000 . 1 . . . A 13 LEU H . 18715 1 97 . 1 1 12 12 LEU HA H 1 4.108 0.000 . 1 . . . A 13 LEU HA . 18715 1 98 . 1 1 12 12 LEU HB2 H 1 1.390 0.000 . 1 . . . A 13 LEU HB2 . 18715 1 99 . 1 1 12 12 LEU HB3 H 1 1.390 0.000 . 1 . . . A 13 LEU HB3 . 18715 1 100 . 1 1 12 12 LEU HG H 1 1.702 0.000 . 1 . . . A 13 LEU HG . 18715 1 101 . 1 1 12 12 LEU HD11 H 1 0.960 0.000 . 1 . . . A 13 LEU HD11 . 18715 1 102 . 1 1 12 12 LEU HD12 H 1 0.960 0.000 . 1 . . . A 13 LEU HD12 . 18715 1 103 . 1 1 12 12 LEU HD13 H 1 0.960 0.000 . 1 . . . A 13 LEU HD13 . 18715 1 104 . 1 1 12 12 LEU HD21 H 1 0.947 0.000 . 1 . . . A 13 LEU HD21 . 18715 1 105 . 1 1 12 12 LEU HD22 H 1 0.947 0.000 . 1 . . . A 13 LEU HD22 . 18715 1 106 . 1 1 12 12 LEU HD23 H 1 0.947 0.000 . 1 . . . A 13 LEU HD23 . 18715 1 107 . 1 1 12 12 LEU CA C 13 58.062 0.000 . 1 . . . A 13 LEU CA . 18715 1 108 . 1 1 12 12 LEU CB C 13 40.936 0.000 . 1 . . . A 13 LEU CB . 18715 1 109 . 1 1 12 12 LEU CG C 13 27.221 0.000 . 1 . . . A 13 LEU CG . 18715 1 110 . 1 1 12 12 LEU CD1 C 13 25.304 0.000 . 1 . . . A 13 LEU CD1 . 18715 1 111 . 1 1 12 12 LEU CD2 C 13 24.110 0.000 . 1 . . . A 13 LEU CD2 . 18715 1 112 . 1 1 12 12 LEU N N 15 121.415 0.000 . 1 . . . A 13 LEU N . 18715 1 113 . 1 1 13 13 ASP H H 1 7.574 0.000 . 1 . . . A 14 ASP H . 18715 1 114 . 1 1 13 13 ASP HA H 1 4.393 0.000 . 1 . . . A 14 ASP HA . 18715 1 115 . 1 1 13 13 ASP HB2 H 1 2.713 0.000 . 1 . . . A 14 ASP HB2 . 18715 1 116 . 1 1 13 13 ASP HB3 H 1 2.713 0.000 . 1 . . . A 14 ASP HB3 . 18715 1 117 . 1 1 13 13 ASP CA C 13 57.136 0.000 . 1 . . . A 14 ASP CA . 18715 1 118 . 1 1 13 13 ASP CB C 13 41.086 0.000 . 1 . . . A 14 ASP CB . 18715 1 119 . 1 1 13 13 ASP N N 15 116.415 0.000 . 1 . . . A 14 ASP N . 18715 1 120 . 1 1 14 14 LYS H H 1 7.117 0.000 . 1 . . . A 15 LYS H . 18715 1 121 . 1 1 14 14 LYS HA H 1 4.046 0.000 . 1 . . . A 15 LYS HA . 18715 1 122 . 1 1 14 14 LYS HB2 H 1 2.128 0.000 . 1 . . . A 15 LYS HB2 . 18715 1 123 . 1 1 14 14 LYS HB3 H 1 1.887 0.000 . 1 . . . A 15 LYS HB3 . 18715 1 124 . 1 1 14 14 LYS HG2 H 1 1.610 0.000 . 1 . . . A 15 LYS HG2 . 18715 1 125 . 1 1 14 14 LYS HG3 H 1 1.610 0.000 . 1 . . . A 15 LYS HG3 . 18715 1 126 . 1 1 14 14 LYS HD2 H 1 1.672 0.000 . 1 . . . A 15 LYS HD2 . 18715 1 127 . 1 1 14 14 LYS HE2 H 1 2.960 0.000 . 1 . . . A 15 LYS HE2 . 18715 1 128 . 1 1 14 14 LYS CA C 13 58.402 0.000 . 1 . . . A 15 LYS CA . 18715 1 129 . 1 1 14 14 LYS CB C 13 32.359 0.000 . 1 . . . A 15 LYS CB . 18715 1 130 . 1 1 14 14 LYS CG C 13 24.625 0.000 . 1 . . . A 15 LYS CG . 18715 1 131 . 1 1 14 14 LYS CD C 13 28.946 0.000 . 1 . . . A 15 LYS CD . 18715 1 132 . 1 1 14 14 LYS CE C 13 42.375 0.000 . 1 . . . A 15 LYS CE . 18715 1 133 . 1 1 14 14 LYS N N 15 115.478 0.000 . 1 . . . A 15 LYS N . 18715 1 134 . 1 1 15 15 TRP H H 1 8.646 0.000 . 1 . . . A 16 TRP H . 18715 1 135 . 1 1 15 15 TRP HA H 1 4.025 0.000 . 1 . . . A 16 TRP HA . 18715 1 136 . 1 1 15 15 TRP HB2 H 1 3.181 0.000 . 1 . . . A 16 TRP HB2 . 18715 1 137 . 1 1 15 15 TRP HB3 H 1 3.550 0.000 . 1 . . . A 16 TRP HB3 . 18715 1 138 . 1 1 15 15 TRP HD1 H 1 6.514 0.000 . 1 . . . A 16 TRP HD1 . 18715 1 139 . 1 1 15 15 TRP HE1 H 1 9.326 0.000 . 1 . . . A 16 TRP HE1 . 18715 1 140 . 1 1 15 15 TRP HE3 H 1 7.129 0.000 . 1 . . . A 16 TRP HE3 . 18715 1 141 . 1 1 15 15 TRP HZ2 H 1 7.103 0.000 . 1 . . . A 16 TRP HZ2 . 18715 1 142 . 1 1 15 15 TRP HZ3 H 1 6.452 0.000 . 1 . . . A 16 TRP HZ3 . 18715 1 143 . 1 1 15 15 TRP CA C 13 60.286 0.000 . 1 . . . A 16 TRP CA . 18715 1 144 . 1 1 15 15 TRP CB C 13 31.113 0.000 . 1 . . . A 16 TRP CB . 18715 1 145 . 1 1 15 15 TRP CD1 C 13 124.043 0.000 . 1 . . . A 16 TRP CD1 . 18715 1 146 . 1 1 15 15 TRP CE3 C 13 119.504 0.000 . 1 . . . A 16 TRP CE3 . 18715 1 147 . 1 1 15 15 TRP CZ2 C 13 113.953 0.000 . 1 . . . A 16 TRP CZ2 . 18715 1 148 . 1 1 15 15 TRP CZ3 C 13 122.324 0.000 . 1 . . . A 16 TRP CZ3 . 18715 1 149 . 1 1 15 15 TRP N N 15 121.693 0.000 . 1 . . . A 16 TRP N . 18715 1 150 . 1 1 15 15 TRP NE1 N 15 126.482 0.000 . 1 . . . A 16 TRP NE1 . 18715 1 151 . 1 1 16 16 GLU H H 1 7.571 0.000 . 1 . . . A 17 GLU H . 18715 1 152 . 1 1 16 16 GLU HA H 1 4.691 0.000 . 1 . . . A 17 GLU HA . 18715 1 153 . 1 1 16 16 GLU HB2 H 1 2.235 0.000 . 1 . . . A 17 GLU HB2 . 18715 1 154 . 1 1 16 16 GLU HB3 H 1 2.103 0.000 . 1 . . . A 17 GLU HB3 . 18715 1 155 . 1 1 16 16 GLU HG2 H 1 2.886 0.000 . 1 . . . A 17 GLU HG2 . 18715 1 156 . 1 1 16 16 GLU HG3 H 1 2.487 0.000 . 1 . . . A 17 GLU HG3 . 18715 1 157 . 1 1 16 16 GLU CA C 13 56.769 0.000 . 1 . . . A 17 GLU CA . 18715 1 158 . 1 1 16 16 GLU CB C 13 29.745 0.000 . 1 . . . A 17 GLU CB . 18715 1 159 . 1 1 16 16 GLU CG C 13 38.387 0.000 . 1 . . . A 17 GLU CG . 18715 1 160 . 1 1 16 16 GLU N N 15 127.710 0.000 . 1 . . . A 17 GLU N . 18715 1 161 . 1 1 17 17 LYS H H 1 7.456 0.000 . 1 . . . A 18 LYS H . 18715 1 162 . 1 1 17 17 LYS HA H 1 4.497 0.000 . 1 . . . A 18 LYS HA . 18715 1 163 . 1 1 17 17 LYS HB2 H 1 2.005 0.000 . 1 . . . A 18 LYS HB2 . 18715 1 164 . 1 1 17 17 LYS HB3 H 1 1.781 0.000 . 1 . . . A 18 LYS HB3 . 18715 1 165 . 1 1 17 17 LYS HG2 H 1 1.589 0.000 . 1 . . . A 18 LYS HG2 . 18715 1 166 . 1 1 17 17 LYS HG3 H 1 1.589 0.000 . 1 . . . A 18 LYS HG3 . 18715 1 167 . 1 1 17 17 LYS HD2 H 1 1.666 0.000 . 1 . . . A 18 LYS HD2 . 18715 1 168 . 1 1 17 17 LYS HE2 H 1 3.056 0.000 . 1 . . . A 18 LYS HE2 . 18715 1 169 . 1 1 17 17 LYS HE3 H 1 3.056 0.000 . 1 . . . A 18 LYS HE3 . 18715 1 170 . 1 1 17 17 LYS CA C 13 55.569 0.000 . 1 . . . A 18 LYS CA . 18715 1 171 . 1 1 17 17 LYS CB C 13 33.939 0.000 . 1 . . . A 18 LYS CB . 18715 1 172 . 1 1 17 17 LYS CG C 13 25.407 0.000 . 1 . . . A 18 LYS CG . 18715 1 173 . 1 1 17 17 LYS CD C 13 29.060 0.000 . 1 . . . A 18 LYS CD . 18715 1 174 . 1 1 17 17 LYS CE C 13 42.389 0.000 . 1 . . . A 18 LYS CE . 18715 1 175 . 1 1 17 17 LYS N N 15 115.790 0.000 . 1 . . . A 18 LYS N . 18715 1 176 . 1 1 18 18 ILE H H 1 7.633 0.000 . 1 . . . A 19 ILE H . 18715 1 177 . 1 1 18 18 ILE HA H 1 3.557 0.000 . 1 . . . A 19 ILE HA . 18715 1 178 . 1 1 18 18 ILE HB H 1 1.592 0.000 . 1 . . . A 19 ILE HB . 18715 1 179 . 1 1 18 18 ILE HG12 H 1 1.961 0.000 . 1 . . . A 19 ILE HG12 . 18715 1 180 . 1 1 18 18 ILE HG13 H 1 0.851 0.000 . 1 . . . A 19 ILE HG13 . 18715 1 181 . 1 1 18 18 ILE HG21 H 1 0.582 0.027 . 1 . . . A 19 ILE HG21 . 18715 1 182 . 1 1 18 18 ILE HG22 H 1 0.582 0.027 . 1 . . . A 19 ILE HG22 . 18715 1 183 . 1 1 18 18 ILE HG23 H 1 0.582 0.027 . 1 . . . A 19 ILE HG23 . 18715 1 184 . 1 1 18 18 ILE HD11 H 1 0.488 0.004 . 1 . . . A 19 ILE HD11 . 18715 1 185 . 1 1 18 18 ILE HD12 H 1 0.488 0.004 . 1 . . . A 19 ILE HD12 . 18715 1 186 . 1 1 18 18 ILE HD13 H 1 0.488 0.004 . 1 . . . A 19 ILE HD13 . 18715 1 187 . 1 1 18 18 ILE CA C 13 63.120 0.013 . 1 . . . A 19 ILE CA . 18715 1 188 . 1 1 18 18 ILE CB C 13 38.182 0.006 . 1 . . . A 19 ILE CB . 18715 1 189 . 1 1 18 18 ILE CG1 C 13 27.919 0.191 . 1 . . . A 19 ILE CG1 . 18715 1 190 . 1 1 18 18 ILE CG2 C 13 16.699 0.053 . 1 . . . A 19 ILE CG2 . 18715 1 191 . 1 1 18 18 ILE CD1 C 13 14.981 0.045 . 1 . . . A 19 ILE CD1 . 18715 1 192 . 1 1 18 18 ILE N N 15 124.228 0.000 . 1 . . . A 19 ILE N . 18715 1 193 . 1 1 19 19 ARG H H 1 8.031 0.000 . 1 . . . A 20 ARG H . 18715 1 194 . 1 1 19 19 ARG HA H 1 4.428 0.000 . 1 . . . A 20 ARG HA . 18715 1 195 . 1 1 19 19 ARG HB2 H 1 1.832 0.000 . 1 . . . A 20 ARG HB2 . 18715 1 196 . 1 1 19 19 ARG HB3 H 1 1.671 0.000 . 1 . . . A 20 ARG HB3 . 18715 1 197 . 1 1 19 19 ARG HG2 H 1 1.773 0.000 . 1 . . . A 20 ARG HG2 . 18715 1 198 . 1 1 19 19 ARG HG3 H 1 1.683 0.000 . 1 . . . A 20 ARG HG3 . 18715 1 199 . 1 1 19 19 ARG HD2 H 1 3.311 0.000 . 1 . . . A 20 ARG HD2 . 18715 1 200 . 1 1 19 19 ARG HD3 H 1 3.311 0.000 . 1 . . . A 20 ARG HD3 . 18715 1 201 . 1 1 19 19 ARG CA C 13 56.495 0.000 . 1 . . . A 20 ARG CA . 18715 1 202 . 1 1 19 19 ARG CB C 13 31.537 0.000 . 1 . . . A 20 ARG CB . 18715 1 203 . 1 1 19 19 ARG CG C 13 28.781 0.000 . 1 . . . A 20 ARG CG . 18715 1 204 . 1 1 19 19 ARG CD C 13 43.501 0.000 . 1 . . . A 20 ARG CD . 18715 1 205 . 1 1 19 19 ARG N N 15 125.790 0.000 . 1 . . . A 20 ARG N . 18715 1 206 . 1 1 20 20 LEU H H 1 7.810 0.000 . 1 . . . A 21 LEU H . 18715 1 207 . 1 1 20 20 LEU HA H 1 3.446 0.000 . 1 . . . A 21 LEU HA . 18715 1 208 . 1 1 20 20 LEU HB2 H 1 1.411 0.001 . 1 . . . A 21 LEU HB2 . 18715 1 209 . 1 1 20 20 LEU HB3 H 1 1.228 0.002 . 1 . . . A 21 LEU HB3 . 18715 1 210 . 1 1 20 20 LEU HG H 1 0.732 0.001 . 1 . . . A 21 LEU HG . 18715 1 211 . 1 1 20 20 LEU HD11 H 1 0.240 0.003 . 1 . . . A 21 LEU HD11 . 18715 1 212 . 1 1 20 20 LEU HD12 H 1 0.240 0.003 . 1 . . . A 21 LEU HD12 . 18715 1 213 . 1 1 20 20 LEU HD13 H 1 0.240 0.003 . 1 . . . A 21 LEU HD13 . 18715 1 214 . 1 1 20 20 LEU HD21 H 1 -0.364 0.002 . 1 . . . A 21 LEU HD21 . 18715 1 215 . 1 1 20 20 LEU HD22 H 1 -0.364 0.002 . 1 . . . A 21 LEU HD22 . 18715 1 216 . 1 1 20 20 LEU HD23 H 1 -0.364 0.002 . 1 . . . A 21 LEU HD23 . 18715 1 217 . 1 1 20 20 LEU CA C 13 58.235 0.004 . 1 . . . A 21 LEU CA . 18715 1 218 . 1 1 20 20 LEU CB C 13 41.535 0.053 . 1 . . . A 21 LEU CB . 18715 1 219 . 1 1 20 20 LEU CG C 13 28.150 0.069 . 1 . . . A 21 LEU CG . 18715 1 220 . 1 1 20 20 LEU CD1 C 13 24.873 0.023 . 1 . . . A 21 LEU CD1 . 18715 1 221 . 1 1 20 20 LEU CD2 C 13 21.741 0.011 . 1 . . . A 21 LEU CD2 . 18715 1 222 . 1 1 20 20 LEU N N 15 120.165 0.000 . 1 . . . A 21 LEU N . 18715 1 223 . 1 1 21 21 ARG H H 1 8.974 0.000 . 1 . . . A 22 ARG H . 18715 1 224 . 1 1 21 21 ARG HA H 1 4.845 0.000 . 1 . . . A 22 ARG HA . 18715 1 225 . 1 1 21 21 ARG HB2 H 1 1.843 0.000 . 1 . . . A 22 ARG HB2 . 18715 1 226 . 1 1 21 21 ARG HB3 H 1 1.627 0.000 . 1 . . . A 22 ARG HB3 . 18715 1 227 . 1 1 21 21 ARG HG2 H 1 1.540 0.000 . 1 . . . A 22 ARG HG2 . 18715 1 228 . 1 1 21 21 ARG HG3 H 1 1.540 0.000 . 1 . . . A 22 ARG HG3 . 18715 1 229 . 1 1 21 21 ARG HD2 H 1 3.185 0.000 . 1 . . . A 22 ARG HD2 . 18715 1 230 . 1 1 21 21 ARG HD3 H 1 3.185 0.000 . 1 . . . A 22 ARG HD3 . 18715 1 231 . 1 1 21 21 ARG CA C 13 52.844 0.000 . 1 . . . A 22 ARG CA . 18715 1 232 . 1 1 21 21 ARG CB C 13 31.617 0.000 . 1 . . . A 22 ARG CB . 18715 1 233 . 1 1 21 21 ARG CG C 13 26.607 0.000 . 1 . . . A 22 ARG CG . 18715 1 234 . 1 1 21 21 ARG CD C 13 43.440 0.000 . 1 . . . A 22 ARG CD . 18715 1 235 . 1 1 21 21 ARG N N 15 119.540 0.000 . 1 . . . A 22 ARG N . 18715 1 236 . 1 1 22 22 PRO HA H 1 4.360 0.000 . 1 . . . A 23 PRO HA . 18715 1 237 . 1 1 22 22 PRO HB2 H 1 1.904 0.000 . 1 . . . A 23 PRO HB2 . 18715 1 238 . 1 1 22 22 PRO HB3 H 1 2.249 0.000 . 1 . . . A 23 PRO HB3 . 18715 1 239 . 1 1 22 22 PRO HG2 H 1 2.099 0.000 . 1 . . . A 23 PRO HG2 . 18715 1 240 . 1 1 22 22 PRO HG3 H 1 2.099 0.000 . 1 . . . A 23 PRO HG3 . 18715 1 241 . 1 1 22 22 PRO HD2 H 1 3.602 0.000 . 1 . . . A 23 PRO HD2 . 18715 1 242 . 1 1 22 22 PRO HD3 H 1 3.602 0.000 . 1 . . . A 23 PRO HD3 . 18715 1 243 . 1 1 22 22 PRO CA C 13 63.436 0.000 . 1 . . . A 23 PRO CA . 18715 1 244 . 1 1 22 22 PRO CB C 13 31.565 0.000 . 1 . . . A 23 PRO CB . 18715 1 245 . 1 1 22 22 PRO CG C 13 28.122 0.000 . 1 . . . A 23 PRO CG . 18715 1 246 . 1 1 22 22 PRO CD C 13 50.485 0.000 . 1 . . . A 23 PRO CD . 18715 1 247 . 1 1 23 23 GLY H H 1 9.138 0.000 . 1 . . . A 24 GLY H . 18715 1 248 . 1 1 23 23 GLY HA2 H 1 3.922 0.000 . 1 . . . A 24 GLY HA2 . 18715 1 249 . 1 1 23 23 GLY HA3 H 1 3.804 0.000 . 1 . . . A 24 GLY HA3 . 18715 1 250 . 1 1 23 23 GLY CA C 13 45.805 0.000 . 1 . . . A 24 GLY CA . 18715 1 251 . 1 1 23 23 GLY N N 15 112.665 0.000 . 1 . . . A 24 GLY N . 18715 1 252 . 1 1 24 24 GLY H H 1 8.134 0.000 . 1 . . . A 25 GLY H . 18715 1 253 . 1 1 24 24 GLY HA2 H 1 4.132 0.000 . 1 . . . A 25 GLY HA2 . 18715 1 254 . 1 1 24 24 GLY HA3 H 1 4.133 0.000 . 1 . . . A 25 GLY HA3 . 18715 1 255 . 1 1 24 24 GLY CA C 13 44.572 0.000 . 1 . . . A 25 GLY CA . 18715 1 256 . 1 1 24 24 GLY N N 15 107.978 0.000 . 1 . . . A 25 GLY N . 18715 1 257 . 1 1 25 25 LYS H H 1 8.665 0.000 . 1 . . . A 26 LYS H . 18715 1 258 . 1 1 25 25 LYS HA H 1 4.264 0.000 . 1 . . . A 26 LYS HA . 18715 1 259 . 1 1 25 25 LYS HB2 H 1 1.787 0.000 . 1 . . . A 26 LYS HB2 . 18715 1 260 . 1 1 25 25 LYS HB3 H 1 1.787 0.000 . 1 . . . A 26 LYS HB3 . 18715 1 261 . 1 1 25 25 LYS HG2 H 1 1.450 0.000 . 1 . . . A 26 LYS HG2 . 18715 1 262 . 1 1 25 25 LYS HG3 H 1 1.450 0.000 . 1 . . . A 26 LYS HG3 . 18715 1 263 . 1 1 25 25 LYS CA C 13 56.853 0.000 . 1 . . . A 26 LYS CA . 18715 1 264 . 1 1 25 25 LYS CB C 13 34.056 0.000 . 1 . . . A 26 LYS CB . 18715 1 265 . 1 1 25 25 LYS CG C 13 25.363 0.000 . 1 . . . A 26 LYS CG . 18715 1 266 . 1 1 25 25 LYS N N 15 117.665 0.000 . 1 . . . A 26 LYS N . 18715 1 267 . 1 1 26 26 LYS H H 1 7.817 0.000 . 1 . . . A 27 LYS H . 18715 1 268 . 1 1 26 26 LYS HA H 1 4.311 0.000 . 1 . . . A 27 LYS HA . 18715 1 269 . 1 1 26 26 LYS HB2 H 1 1.801 0.000 . 1 . . . A 27 LYS HB2 . 18715 1 270 . 1 1 26 26 LYS HB3 H 1 1.801 0.000 . 1 . . . A 27 LYS HB3 . 18715 1 271 . 1 1 26 26 LYS HG2 H 1 1.632 0.000 . 1 . . . A 27 LYS HG2 . 18715 1 272 . 1 1 26 26 LYS HG3 H 1 1.632 0.000 . 1 . . . A 27 LYS HG3 . 18715 1 273 . 1 1 26 26 LYS HD2 H 1 1.813 0.000 . 1 . . . A 27 LYS HD2 . 18715 1 274 . 1 1 26 26 LYS HD3 H 1 1.813 0.000 . 1 . . . A 27 LYS HD3 . 18715 1 275 . 1 1 26 26 LYS CA C 13 57.211 0.000 . 1 . . . A 27 LYS CA . 18715 1 276 . 1 1 26 26 LYS CB C 13 33.878 0.000 . 1 . . . A 27 LYS CB . 18715 1 277 . 1 1 26 26 LYS CG C 13 25.868 0.000 . 1 . . . A 27 LYS CG . 18715 1 278 . 1 1 26 26 LYS CD C 13 30.790 0.000 . 1 . . . A 27 LYS CD . 18715 1 279 . 1 1 26 26 LYS N N 15 117.925 0.000 . 1 . . . A 27 LYS N . 18715 1 280 . 1 1 27 27 GLN H H 1 8.458 0.000 . 1 . . . A 28 GLN H . 18715 1 281 . 1 1 27 27 GLN HA H 1 4.816 0.000 . 1 . . . A 28 GLN HA . 18715 1 282 . 1 1 27 27 GLN HB2 H 1 2.078 0.000 . 1 . . . A 28 GLN HB2 . 18715 1 283 . 1 1 27 27 GLN HB3 H 1 1.918 0.000 . 1 . . . A 28 GLN HB3 . 18715 1 284 . 1 1 27 27 GLN HG2 H 1 2.014 0.000 . 1 . . . A 28 GLN HG2 . 18715 1 285 . 1 1 27 27 GLN HG3 H 1 2.014 0.000 . 1 . . . A 28 GLN HG3 . 18715 1 286 . 1 1 27 27 GLN CA C 13 54.473 0.000 . 1 . . . A 28 GLN CA . 18715 1 287 . 1 1 27 27 GLN CB C 13 34.054 0.000 . 1 . . . A 28 GLN CB . 18715 1 288 . 1 1 27 27 GLN CG C 13 34.807 0.000 . 1 . . . A 28 GLN CG . 18715 1 289 . 1 1 27 27 GLN N N 15 122.978 0.000 . 1 . . . A 28 GLN N . 18715 1 290 . 1 1 28 28 TYR H H 1 7.824 0.000 . 1 . . . A 29 TYR H . 18715 1 291 . 1 1 28 28 TYR HA H 1 3.732 0.000 . 1 . . . A 29 TYR HA . 18715 1 292 . 1 1 28 28 TYR HB2 H 1 1.936 0.000 . 1 . . . A 29 TYR HB2 . 18715 1 293 . 1 1 28 28 TYR HB3 H 1 1.556 0.000 . 1 . . . A 29 TYR HB3 . 18715 1 294 . 1 1 28 28 TYR HD1 H 1 6.387 0.000 . 1 . . . A 29 TYR HD1 . 18715 1 295 . 1 1 28 28 TYR HD2 H 1 6.387 0.000 . 1 . . . A 29 TYR HD2 . 18715 1 296 . 1 1 28 28 TYR HE1 H 1 6.362 0.000 . 1 . . . A 29 TYR HE1 . 18715 1 297 . 1 1 28 28 TYR HE2 H 1 6.362 0.000 . 1 . . . A 29 TYR HE2 . 18715 1 298 . 1 1 28 28 TYR CA C 13 61.010 0.000 . 1 . . . A 29 TYR CA . 18715 1 299 . 1 1 28 28 TYR CB C 13 37.216 0.000 . 1 . . . A 29 TYR CB . 18715 1 300 . 1 1 28 28 TYR CD1 C 13 136.604 0.000 . 1 . . . A 29 TYR CD1 . 18715 1 301 . 1 1 28 28 TYR CD2 C 13 136.604 0.000 . 1 . . . A 29 TYR CD2 . 18715 1 302 . 1 1 28 28 TYR CE1 C 13 116.565 0.000 . 1 . . . A 29 TYR CE1 . 18715 1 303 . 1 1 28 28 TYR CE2 C 13 116.565 0.000 . 1 . . . A 29 TYR CE2 . 18715 1 304 . 1 1 28 28 TYR N N 15 119.540 0.000 . 1 . . . A 29 TYR N . 18715 1 305 . 1 1 29 29 LYS H H 1 10.610 0.000 . 1 . . . A 30 LYS H . 18715 1 306 . 1 1 29 29 LYS HA H 1 5.216 0.000 . 1 . . . A 30 LYS HA . 18715 1 307 . 1 1 29 29 LYS HB2 H 1 1.929 0.000 . 1 . . . A 30 LYS HB2 . 18715 1 308 . 1 1 29 29 LYS HB3 H 1 2.380 0.000 . 1 . . . A 30 LYS HB3 . 18715 1 309 . 1 1 29 29 LYS HG2 H 1 1.666 0.000 . 1 . . . A 30 LYS HG2 . 18715 1 310 . 1 1 29 29 LYS HG3 H 1 1.666 0.000 . 1 . . . A 30 LYS HG3 . 18715 1 311 . 1 1 29 29 LYS HD2 H 1 1.778 0.000 . 1 . . . A 30 LYS HD2 . 18715 1 312 . 1 1 29 29 LYS HD3 H 1 1.778 0.000 . 1 . . . A 30 LYS HD3 . 18715 1 313 . 1 1 29 29 LYS CA C 13 54.065 0.000 . 1 . . . A 30 LYS CA . 18715 1 314 . 1 1 29 29 LYS CB C 13 38.588 0.000 . 1 . . . A 30 LYS CB . 18715 1 315 . 1 1 29 29 LYS CG C 13 24.645 0.000 . 1 . . . A 30 LYS CG . 18715 1 316 . 1 1 29 29 LYS CD C 13 29.100 0.000 . 1 . . . A 30 LYS CD . 18715 1 317 . 1 1 29 29 LYS N N 15 117.978 0.000 . 1 . . . A 30 LYS N . 18715 1 318 . 1 1 30 30 LEU H H 1 9.991 0.000 . 1 . . . A 31 LEU H . 18715 1 319 . 1 1 30 30 LEU HA H 1 4.181 0.000 . 1 . . . A 31 LEU HA . 18715 1 320 . 1 1 30 30 LEU HB2 H 1 1.806 0.000 . 1 . . . A 31 LEU HB2 . 18715 1 321 . 1 1 30 30 LEU HB3 H 1 1.782 0.000 . 1 . . . A 31 LEU HB3 . 18715 1 322 . 1 1 30 30 LEU HG H 1 1.760 0.000 . 1 . . . A 31 LEU HG . 18715 1 323 . 1 1 30 30 LEU HD11 H 1 0.974 0.000 . 1 . . . A 31 LEU HD11 . 18715 1 324 . 1 1 30 30 LEU HD12 H 1 0.974 0.000 . 1 . . . A 31 LEU HD12 . 18715 1 325 . 1 1 30 30 LEU HD13 H 1 0.974 0.000 . 1 . . . A 31 LEU HD13 . 18715 1 326 . 1 1 30 30 LEU HD21 H 1 0.959 0.000 . 1 . . . A 31 LEU HD21 . 18715 1 327 . 1 1 30 30 LEU HD22 H 1 0.959 0.000 . 1 . . . A 31 LEU HD22 . 18715 1 328 . 1 1 30 30 LEU HD23 H 1 0.959 0.000 . 1 . . . A 31 LEU HD23 . 18715 1 329 . 1 1 30 30 LEU CA C 13 59.234 0.000 . 1 . . . A 31 LEU CA . 18715 1 330 . 1 1 30 30 LEU CB C 13 41.002 0.000 . 1 . . . A 31 LEU CB . 18715 1 331 . 1 1 30 30 LEU CG C 13 27.208 0.000 . 1 . . . A 31 LEU CG . 18715 1 332 . 1 1 30 30 LEU CD1 C 13 24.126 0.000 . 1 . . . A 31 LEU CD1 . 18715 1 333 . 1 1 30 30 LEU CD2 C 13 24.040 0.000 . 1 . . . A 31 LEU CD2 . 18715 1 334 . 1 1 30 30 LEU N N 15 128.602 0.000 . 1 . . . A 31 LEU N . 18715 1 335 . 1 1 31 31 LYS H H 1 8.399 0.000 . 1 . . . A 32 LYS H . 18715 1 336 . 1 1 31 31 LYS HA H 1 4.145 0.000 . 1 . . . A 32 LYS HA . 18715 1 337 . 1 1 31 31 LYS HB2 H 1 1.786 0.000 . 1 . . . A 32 LYS HB2 . 18715 1 338 . 1 1 31 31 LYS HB3 H 1 1.878 0.000 . 1 . . . A 32 LYS HB3 . 18715 1 339 . 1 1 31 31 LYS HG2 H 1 1.634 0.000 . 1 . . . A 32 LYS HG2 . 18715 1 340 . 1 1 31 31 LYS HD2 H 1 1.461 0.000 . 1 . . . A 32 LYS HD2 . 18715 1 341 . 1 1 31 31 LYS HD3 H 1 1.461 0.000 . 1 . . . A 32 LYS HD3 . 18715 1 342 . 1 1 31 31 LYS HE2 H 1 3.030 0.000 . 1 . . . A 32 LYS HE2 . 18715 1 343 . 1 1 31 31 LYS HE3 H 1 3.030 0.000 . 1 . . . A 32 LYS HE3 . 18715 1 344 . 1 1 31 31 LYS CA C 13 59.097 0.000 . 1 . . . A 32 LYS CA . 18715 1 345 . 1 1 31 31 LYS CB C 13 31.559 0.000 . 1 . . . A 32 LYS CB . 18715 1 346 . 1 1 31 31 LYS CG C 13 24.535 0.000 . 1 . . . A 32 LYS CG . 18715 1 347 . 1 1 31 31 LYS CD C 13 29.601 0.000 . 1 . . . A 32 LYS CD . 18715 1 348 . 1 1 31 31 LYS CE C 13 42.318 0.000 . 1 . . . A 32 LYS CE . 18715 1 349 . 1 1 31 31 LYS N N 15 115.165 0.000 . 1 . . . A 32 LYS N . 18715 1 350 . 1 1 32 32 HIS H H 1 8.193 0.000 . 1 . . . A 33 HIS H . 18715 1 351 . 1 1 32 32 HIS HA H 1 4.604 0.000 . 1 . . . A 33 HIS HA . 18715 1 352 . 1 1 32 32 HIS HB2 H 1 3.893 0.000 . 1 . . . A 33 HIS HB2 . 18715 1 353 . 1 1 32 32 HIS HB3 H 1 3.898 0.000 . 1 . . . A 33 HIS HB3 . 18715 1 354 . 1 1 32 32 HIS HD2 H 1 7.182 0.000 . 1 . . . A 33 HIS HD2 . 18715 1 355 . 1 1 32 32 HIS HE1 H 1 7.677 0.000 . 1 . . . A 33 HIS HE1 . 18715 1 356 . 1 1 32 32 HIS CA C 13 62.891 0.000 . 1 . . . A 33 HIS CA . 18715 1 357 . 1 1 32 32 HIS CB C 13 32.784 0.000 . 1 . . . A 33 HIS CB . 18715 1 358 . 1 1 32 32 HIS CD2 C 13 117.159 0.000 . 1 . . . A 33 HIS CD2 . 18715 1 359 . 1 1 32 32 HIS CE1 C 13 137.639 0.000 . 1 . . . A 33 HIS CE1 . 18715 1 360 . 1 1 32 32 HIS N N 15 119.540 0.000 . 1 . . . A 33 HIS N . 18715 1 361 . 1 1 33 33 ILE H H 1 7.898 0.000 . 1 . . . A 34 ILE H . 18715 1 362 . 1 1 33 33 ILE HA H 1 3.794 0.000 . 1 . . . A 34 ILE HA . 18715 1 363 . 1 1 33 33 ILE HB H 1 2.176 0.000 . 1 . . . A 34 ILE HB . 18715 1 364 . 1 1 33 33 ILE HG12 H 1 1.379 0.004 . 1 . . . A 34 ILE HG12 . 18715 1 365 . 1 1 33 33 ILE HG13 H 1 0.680 0.002 . 1 . . . A 34 ILE HG13 . 18715 1 366 . 1 1 33 33 ILE HG21 H 1 0.737 0.029 . 1 . . . A 34 ILE HG21 . 18715 1 367 . 1 1 33 33 ILE HG22 H 1 0.737 0.029 . 1 . . . A 34 ILE HG22 . 18715 1 368 . 1 1 33 33 ILE HG23 H 1 0.737 0.029 . 1 . . . A 34 ILE HG23 . 18715 1 369 . 1 1 33 33 ILE HD11 H 1 -0.142 0.001 . 1 . . . A 34 ILE HD11 . 18715 1 370 . 1 1 33 33 ILE HD12 H 1 -0.142 0.001 . 1 . . . A 34 ILE HD12 . 18715 1 371 . 1 1 33 33 ILE HD13 H 1 -0.142 0.001 . 1 . . . A 34 ILE HD13 . 18715 1 372 . 1 1 33 33 ILE CA C 13 63.848 0.011 . 1 . . . A 34 ILE CA . 18715 1 373 . 1 1 33 33 ILE CB C 13 36.979 0.026 . 1 . . . A 34 ILE CB . 18715 1 374 . 1 1 33 33 ILE CG1 C 13 28.954 0.076 . 1 . . . A 34 ILE CG1 . 18715 1 375 . 1 1 33 33 ILE CG2 C 13 17.574 0.052 . 1 . . . A 34 ILE CG2 . 18715 1 376 . 1 1 33 33 ILE CD1 C 13 11.691 0.038 . 1 . . . A 34 ILE CD1 . 18715 1 377 . 1 1 33 33 ILE N N 15 119.540 0.000 . 1 . . . A 34 ILE N . 18715 1 378 . 1 1 34 34 VAL H H 1 7.706 0.000 . 1 . . . A 35 VAL H . 18715 1 379 . 1 1 34 34 VAL HA H 1 3.612 0.000 . 1 . . . A 35 VAL HA . 18715 1 380 . 1 1 34 34 VAL HB H 1 2.144 0.000 . 1 . . . A 35 VAL HB . 18715 1 381 . 1 1 34 34 VAL HG11 H 1 1.061 0.006 . 1 . . . A 35 VAL HG11 . 18715 1 382 . 1 1 34 34 VAL HG12 H 1 1.061 0.006 . 1 . . . A 35 VAL HG12 . 18715 1 383 . 1 1 34 34 VAL HG13 H 1 1.061 0.006 . 1 . . . A 35 VAL HG13 . 18715 1 384 . 1 1 34 34 VAL HG21 H 1 1.026 0.000 . 1 . . . A 35 VAL HG21 . 18715 1 385 . 1 1 34 34 VAL HG22 H 1 1.026 0.000 . 1 . . . A 35 VAL HG22 . 18715 1 386 . 1 1 34 34 VAL HG23 H 1 1.026 0.000 . 1 . . . A 35 VAL HG23 . 18715 1 387 . 1 1 34 34 VAL CA C 13 66.746 0.000 . 1 . . . A 35 VAL CA . 18715 1 388 . 1 1 34 34 VAL CB C 13 32.142 0.000 . 1 . . . A 35 VAL CB . 18715 1 389 . 1 1 34 34 VAL CG1 C 13 21.658 0.000 . 1 . . . A 35 VAL CG1 . 18715 1 390 . 1 1 34 34 VAL CG2 C 13 22.074 0.057 . 1 . . . A 35 VAL CG2 . 18715 1 391 . 1 1 34 34 VAL N N 15 122.040 0.000 . 1 . . . A 35 VAL N . 18715 1 392 . 1 1 35 35 TRP H H 1 8.452 0.000 . 1 . . . A 36 TRP H . 18715 1 393 . 1 1 35 35 TRP HA H 1 4.233 0.000 . 1 . . . A 36 TRP HA . 18715 1 394 . 1 1 35 35 TRP HB2 H 1 3.495 0.000 . 1 . . . A 36 TRP HB2 . 18715 1 395 . 1 1 35 35 TRP HB3 H 1 3.495 0.000 . 1 . . . A 36 TRP HB3 . 18715 1 396 . 1 1 35 35 TRP HD1 H 1 7.427 0.000 . 1 . . . A 36 TRP HD1 . 18715 1 397 . 1 1 35 35 TRP HE1 H 1 10.286 0.000 . 1 . . . A 36 TRP HE1 . 18715 1 398 . 1 1 35 35 TRP HE3 H 1 6.922 0.000 . 1 . . . A 36 TRP HE3 . 18715 1 399 . 1 1 35 35 TRP HZ2 H 1 7.439 0.000 . 1 . . . A 36 TRP HZ2 . 18715 1 400 . 1 1 35 35 TRP HH2 H 1 7.382 0.000 . 1 . . . A 36 TRP HH2 . 18715 1 401 . 1 1 35 35 TRP CA C 13 62.110 0.000 . 1 . . . A 36 TRP CA . 18715 1 402 . 1 1 35 35 TRP CB C 13 28.412 0.000 . 1 . . . A 36 TRP CB . 18715 1 403 . 1 1 35 35 TRP CD1 C 13 127.807 0.000 . 1 . . . A 36 TRP CD1 . 18715 1 404 . 1 1 35 35 TRP CZ2 C 13 114.684 0.000 . 1 . . . A 36 TRP CZ2 . 18715 1 405 . 1 1 35 35 TRP CZ3 C 13 119.764 0.000 . 1 . . . A 36 TRP CZ3 . 18715 1 406 . 1 1 35 35 TRP CH2 C 13 124.053 0.000 . 1 . . . A 36 TRP CH2 . 18715 1 407 . 1 1 35 35 TRP N N 15 119.986 0.000 . 1 . . . A 36 TRP N . 18715 1 408 . 1 1 35 35 TRP NE1 N 15 131.102 0.000 . 1 . . . A 36 TRP NE1 . 18715 1 409 . 1 1 36 36 ALA H H 1 8.311 0.000 . 1 . . . A 37 ALA H . 18715 1 410 . 1 1 36 36 ALA HA H 1 3.390 0.009 . 1 . . . A 37 ALA HA . 18715 1 411 . 1 1 36 36 ALA HB1 H 1 1.552 0.003 . 1 . . . A 37 ALA HB1 . 18715 1 412 . 1 1 36 36 ALA HB2 H 1 1.552 0.003 . 1 . . . A 37 ALA HB2 . 18715 1 413 . 1 1 36 36 ALA HB3 H 1 1.552 0.003 . 1 . . . A 37 ALA HB3 . 18715 1 414 . 1 1 36 36 ALA CA C 13 55.113 0.027 . 1 . . . A 37 ALA CA . 18715 1 415 . 1 1 36 36 ALA CB C 13 17.430 0.061 . 1 . . . A 37 ALA CB . 18715 1 416 . 1 1 36 36 ALA N N 15 120.478 0.000 . 1 . . . A 37 ALA N . 18715 1 417 . 1 1 37 37 SER H H 1 8.259 0.000 . 1 . . . A 38 SER H . 18715 1 418 . 1 1 37 37 SER HA H 1 3.906 0.000 . 1 . . . A 38 SER HA . 18715 1 419 . 1 1 37 37 SER HB2 H 1 3.909 0.000 . 1 . . . A 38 SER HB2 . 18715 1 420 . 1 1 37 37 SER HB3 H 1 3.909 0.000 . 1 . . . A 38 SER HB3 . 18715 1 421 . 1 1 37 37 SER CA C 13 62.801 0.000 . 1 . . . A 38 SER CA . 18715 1 422 . 1 1 37 37 SER CB C 13 62.829 0.000 . 1 . . . A 38 SER CB . 18715 1 423 . 1 1 37 37 SER N N 15 111.415 0.000 . 1 . . . A 38 SER N . 18715 1 424 . 1 1 38 38 ARG H H 1 7.559 0.000 . 1 . . . A 39 ARG H . 18715 1 425 . 1 1 38 38 ARG HA H 1 4.146 0.000 . 1 . . . A 39 ARG HA . 18715 1 426 . 1 1 38 38 ARG HB2 H 1 1.882 0.000 . 1 . . . A 39 ARG HB2 . 18715 1 427 . 1 1 38 38 ARG HB3 H 1 1.882 0.000 . 1 . . . A 39 ARG HB3 . 18715 1 428 . 1 1 38 38 ARG HG2 H 1 1.761 0.000 . 1 . . . A 39 ARG HG2 . 18715 1 429 . 1 1 38 38 ARG HG3 H 1 1.761 0.000 . 1 . . . A 39 ARG HG3 . 18715 1 430 . 1 1 38 38 ARG HD2 H 1 3.186 0.000 . 1 . . . A 39 ARG HD2 . 18715 1 431 . 1 1 38 38 ARG HD3 H 1 3.196 0.000 . 1 . . . A 39 ARG HD3 . 18715 1 432 . 1 1 38 38 ARG CA C 13 58.410 0.000 . 1 . . . A 39 ARG CA . 18715 1 433 . 1 1 38 38 ARG CB C 13 30.008 0.000 . 1 . . . A 39 ARG CB . 18715 1 434 . 1 1 38 38 ARG CG C 13 27.216 0.000 . 1 . . . A 39 ARG CG . 18715 1 435 . 1 1 38 38 ARG CD C 13 43.228 0.000 . 1 . . . A 39 ARG CD . 18715 1 436 . 1 1 38 38 ARG N N 15 119.852 0.000 . 1 . . . A 39 ARG N . 18715 1 437 . 1 1 39 39 GLU H H 1 8.222 0.000 . 1 . . . A 40 GLU H . 18715 1 438 . 1 1 39 39 GLU HA H 1 3.787 0.000 . 1 . . . A 40 GLU HA . 18715 1 439 . 1 1 39 39 GLU HB2 H 1 1.567 0.000 . 1 . . . A 40 GLU HB2 . 18715 1 440 . 1 1 39 39 GLU HB3 H 1 1.567 0.000 . 1 . . . A 40 GLU HB3 . 18715 1 441 . 1 1 39 39 GLU CA C 13 58.281 0.000 . 1 . . . A 40 GLU CA . 18715 1 442 . 1 1 39 39 GLU CB C 13 29.674 0.000 . 1 . . . A 40 GLU CB . 18715 1 443 . 1 1 39 39 GLU CG C 13 34.363 0.000 . 1 . . . A 40 GLU CG . 18715 1 444 . 1 1 39 39 GLU N N 15 121.102 0.000 . 1 . . . A 40 GLU N . 18715 1 445 . 1 1 40 40 LEU H H 1 8.016 0.000 . 1 . . . A 41 LEU H . 18715 1 446 . 1 1 40 40 LEU HA H 1 3.953 0.001 . 1 . . . A 41 LEU HA . 18715 1 447 . 1 1 40 40 LEU HB2 H 1 1.893 0.000 . 1 . . . A 41 LEU HB2 . 18715 1 448 . 1 1 40 40 LEU HB3 H 1 1.430 0.000 . 1 . . . A 41 LEU HB3 . 18715 1 449 . 1 1 40 40 LEU HG H 1 2.023 0.009 . 1 . . . A 41 LEU HG . 18715 1 450 . 1 1 40 40 LEU HD11 H 1 0.865 0.004 . 1 . . . A 41 LEU HD11 . 18715 1 451 . 1 1 40 40 LEU HD12 H 1 0.865 0.004 . 1 . . . A 41 LEU HD12 . 18715 1 452 . 1 1 40 40 LEU HD13 H 1 0.865 0.004 . 1 . . . A 41 LEU HD13 . 18715 1 453 . 1 1 40 40 LEU HD21 H 1 0.784 0.003 . 1 . . . A 41 LEU HD21 . 18715 1 454 . 1 1 40 40 LEU HD22 H 1 0.784 0.003 . 1 . . . A 41 LEU HD22 . 18715 1 455 . 1 1 40 40 LEU HD23 H 1 0.784 0.003 . 1 . . . A 41 LEU HD23 . 18715 1 456 . 1 1 40 40 LEU CA C 13 58.323 0.035 . 1 . . . A 41 LEU CA . 18715 1 457 . 1 1 40 40 LEU CB C 13 40.180 0.026 . 1 . . . A 41 LEU CB . 18715 1 458 . 1 1 40 40 LEU CG C 13 26.825 0.102 . 1 . . . A 41 LEU CG . 18715 1 459 . 1 1 40 40 LEU CD1 C 13 26.648 0.040 . 1 . . . A 41 LEU CD1 . 18715 1 460 . 1 1 40 40 LEU CD2 C 13 22.760 0.057 . 1 . . . A 41 LEU CD2 . 18715 1 461 . 1 1 40 40 LEU N N 15 117.040 0.000 . 1 . . . A 41 LEU N . 18715 1 462 . 1 1 41 41 GLU H H 1 7.559 0.000 . 1 . . . A 42 GLU H . 18715 1 463 . 1 1 41 41 GLU HA H 1 4.127 0.000 . 1 . . . A 42 GLU HA . 18715 1 464 . 1 1 41 41 GLU HB2 H 1 2.130 0.000 . 1 . . . A 42 GLU HB2 . 18715 1 465 . 1 1 41 41 GLU HB3 H 1 1.673 0.000 . 1 . . . A 42 GLU HB3 . 18715 1 466 . 1 1 41 41 GLU HG2 H 1 2.543 0.000 . 1 . . . A 42 GLU HG2 . 18715 1 467 . 1 1 41 41 GLU HG3 H 1 2.173 0.000 . 1 . . . A 42 GLU HG3 . 18715 1 468 . 1 1 41 41 GLU CA C 13 59.571 0.000 . 1 . . . A 42 GLU CA . 18715 1 469 . 1 1 41 41 GLU CB C 13 29.665 0.000 . 1 . . . A 42 GLU CB . 18715 1 470 . 1 1 41 41 GLU CG C 13 36.819 0.000 . 1 . . . A 42 GLU CG . 18715 1 471 . 1 1 41 41 GLU N N 15 117.352 0.000 . 1 . . . A 42 GLU N . 18715 1 472 . 1 1 42 42 ARG H H 1 7.647 0.000 . 1 . . . A 43 ARG H . 18715 1 473 . 1 1 42 42 ARG HA H 1 4.042 0.003 . 1 . . . A 43 ARG HA . 18715 1 474 . 1 1 42 42 ARG HB2 H 1 1.662 0.000 . 1 . . . A 43 ARG HB2 . 18715 1 475 . 1 1 42 42 ARG HB3 H 1 2.124 0.000 . 1 . . . A 43 ARG HB3 . 18715 1 476 . 1 1 42 42 ARG HG2 H 1 1.426 0.002 . 1 . . . A 43 ARG HG2 . 18715 1 477 . 1 1 42 42 ARG HG3 H 1 1.669 0.000 . 1 . . . A 43 ARG HG3 . 18715 1 478 . 1 1 42 42 ARG HD2 H 1 3.040 0.000 . 1 . . . A 43 ARG HD2 . 18715 1 479 . 1 1 42 42 ARG HD3 H 1 3.040 0.000 . 1 . . . A 43 ARG HD3 . 18715 1 480 . 1 1 42 42 ARG CA C 13 58.490 0.053 . 1 . . . A 43 ARG CA . 18715 1 481 . 1 1 42 42 ARG CB C 13 29.665 0.000 . 1 . . . A 43 ARG CB . 18715 1 482 . 1 1 42 42 ARG CG C 13 27.154 0.071 . 1 . . . A 43 ARG CG . 18715 1 483 . 1 1 42 42 ARG CD C 13 43.558 0.054 . 1 . . . A 43 ARG CD . 18715 1 484 . 1 1 42 42 ARG N N 15 119.540 0.000 . 1 . . . A 43 ARG N . 18715 1 485 . 1 1 43 43 PHE H H 1 7.529 0.000 . 1 . . . A 44 PHE H . 18715 1 486 . 1 1 43 43 PHE HA H 1 4.614 0.005 . 1 . . . A 44 PHE HA . 18715 1 487 . 1 1 43 43 PHE HB2 H 1 2.744 0.009 . 1 . . . A 44 PHE HB2 . 18715 1 488 . 1 1 43 43 PHE HB3 H 1 3.492 0.002 . 1 . . . A 44 PHE HB3 . 18715 1 489 . 1 1 43 43 PHE HD1 H 1 7.243 0.009 . 1 . . . A 44 PHE HD1 . 18715 1 490 . 1 1 43 43 PHE HD2 H 1 7.243 0.009 . 1 . . . A 44 PHE HD2 . 18715 1 491 . 1 1 43 43 PHE HE1 H 1 7.035 0.000 . 1 . . . A 44 PHE HE1 . 18715 1 492 . 1 1 43 43 PHE HE2 H 1 7.035 0.000 . 1 . . . A 44 PHE HE2 . 18715 1 493 . 1 1 43 43 PHE CA C 13 57.358 0.057 . 1 . . . A 44 PHE CA . 18715 1 494 . 1 1 43 43 PHE CB C 13 39.166 0.045 . 1 . . . A 44 PHE CB . 18715 1 495 . 1 1 43 43 PHE CD1 C 13 131.366 0.037 . 1 . . . A 44 PHE CD1 . 18715 1 496 . 1 1 43 43 PHE CD2 C 13 131.366 0.037 . 1 . . . A 44 PHE CD2 . 18715 1 497 . 1 1 43 43 PHE CE1 C 13 133.391 0.000 . 1 . . . A 44 PHE CE1 . 18715 1 498 . 1 1 43 43 PHE CE2 C 13 133.391 0.000 . 1 . . . A 44 PHE CE2 . 18715 1 499 . 1 1 43 43 PHE N N 15 117.665 0.000 . 1 . . . A 44 PHE N . 18715 1 500 . 1 1 44 44 ALA H H 1 7.928 0.000 . 1 . . . A 45 ALA H . 18715 1 501 . 1 1 44 44 ALA HA H 1 4.015 0.000 . 1 . . . A 45 ALA HA . 18715 1 502 . 1 1 44 44 ALA HB1 H 1 1.468 0.041 . 1 . . . A 45 ALA HB1 . 18715 1 503 . 1 1 44 44 ALA HB2 H 1 1.468 0.041 . 1 . . . A 45 ALA HB2 . 18715 1 504 . 1 1 44 44 ALA HB3 H 1 1.468 0.041 . 1 . . . A 45 ALA HB3 . 18715 1 505 . 1 1 44 44 ALA CA C 13 53.414 0.000 . 1 . . . A 45 ALA CA . 18715 1 506 . 1 1 44 44 ALA CB C 13 16.279 0.004 . 1 . . . A 45 ALA CB . 18715 1 507 . 1 1 44 44 ALA N N 15 118.915 0.000 . 1 . . . A 45 ALA N . 18715 1 508 . 1 1 45 45 VAL H H 1 7.765 0.000 . 1 . . . A 46 VAL H . 18715 1 509 . 1 1 45 45 VAL HA H 1 4.095 0.000 . 1 . . . A 46 VAL HA . 18715 1 510 . 1 1 45 45 VAL HB H 1 1.812 0.010 . 1 . . . A 46 VAL HB . 18715 1 511 . 1 1 45 45 VAL HG11 H 1 0.892 0.004 . 1 . . . A 46 VAL HG11 . 18715 1 512 . 1 1 45 45 VAL HG12 H 1 0.892 0.004 . 1 . . . A 46 VAL HG12 . 18715 1 513 . 1 1 45 45 VAL HG13 H 1 0.892 0.004 . 1 . . . A 46 VAL HG13 . 18715 1 514 . 1 1 45 45 VAL HG21 H 1 0.809 0.000 . 1 . . . A 46 VAL HG21 . 18715 1 515 . 1 1 45 45 VAL HG22 H 1 0.809 0.000 . 1 . . . A 46 VAL HG22 . 18715 1 516 . 1 1 45 45 VAL HG23 H 1 0.809 0.000 . 1 . . . A 46 VAL HG23 . 18715 1 517 . 1 1 45 45 VAL CA C 13 60.821 0.032 . 1 . . . A 46 VAL CA . 18715 1 518 . 1 1 45 45 VAL CB C 13 33.366 0.046 . 1 . . . A 46 VAL CB . 18715 1 519 . 1 1 45 45 VAL CG1 C 13 21.579 0.000 . 1 . . . A 46 VAL CG1 . 18715 1 520 . 1 1 45 45 VAL CG2 C 13 21.574 0.020 . 1 . . . A 46 VAL CG2 . 18715 1 521 . 1 1 45 45 VAL N N 15 119.540 0.000 . 1 . . . A 46 VAL N . 18715 1 522 . 1 1 46 46 ASN H H 1 8.399 0.000 . 1 . . . A 47 ASN H . 18715 1 523 . 1 1 46 46 ASN HA H 1 4.646 0.000 . 1 . . . A 47 ASN HA . 18715 1 524 . 1 1 46 46 ASN HB2 H 1 2.878 0.000 . 1 . . . A 47 ASN HB2 . 18715 1 525 . 1 1 46 46 ASN HB3 H 1 2.878 0.000 . 1 . . . A 47 ASN HB3 . 18715 1 526 . 1 1 46 46 ASN CA C 13 50.997 0.000 . 1 . . . A 47 ASN CA . 18715 1 527 . 1 1 46 46 ASN CB C 13 39.086 0.000 . 1 . . . A 47 ASN CB . 18715 1 528 . 1 1 46 46 ASN N N 15 125.790 0.000 . 1 . . . A 47 ASN N . 18715 1 529 . 1 1 47 47 PRO HA H 1 4.222 0.000 . 1 . . . A 48 PRO HA . 18715 1 530 . 1 1 47 47 PRO HB2 H 1 2.361 0.000 . 1 . . . A 48 PRO HB2 . 18715 1 531 . 1 1 47 47 PRO HB3 H 1 2.025 0.000 . 1 . . . A 48 PRO HB3 . 18715 1 532 . 1 1 47 47 PRO HG2 H 1 2.010 0.000 . 1 . . . A 48 PRO HG2 . 18715 1 533 . 1 1 47 47 PRO HG3 H 1 1.786 0.000 . 1 . . . A 48 PRO HG3 . 18715 1 534 . 1 1 47 47 PRO HD2 H 1 3.887 0.000 . 1 . . . A 48 PRO HD2 . 18715 1 535 . 1 1 47 47 PRO HD3 H 1 4.253 0.000 . 1 . . . A 48 PRO HD3 . 18715 1 536 . 1 1 47 47 PRO CA C 13 64.314 0.000 . 1 . . . A 48 PRO CA . 18715 1 537 . 1 1 47 47 PRO CB C 13 31.740 0.000 . 1 . . . A 48 PRO CB . 18715 1 538 . 1 1 47 47 PRO CG C 13 27.814 0.000 . 1 . . . A 48 PRO CG . 18715 1 539 . 1 1 47 47 PRO CD C 13 50.938 0.000 . 1 . . . A 48 PRO CD . 18715 1 540 . 1 1 48 48 GLY H H 1 8.620 0.000 . 1 . . . A 49 GLY H . 18715 1 541 . 1 1 48 48 GLY HA2 H 1 3.816 0.000 . 1 . . . A 49 GLY HA2 . 18715 1 542 . 1 1 48 48 GLY HA3 H 1 3.770 0.000 . 1 . . . A 49 GLY HA3 . 18715 1 543 . 1 1 48 48 GLY CA C 13 46.530 0.000 . 1 . . . A 49 GLY CA . 18715 1 544 . 1 1 48 48 GLY N N 15 108.290 0.000 . 1 . . . A 49 GLY N . 18715 1 545 . 1 1 49 49 LEU H H 1 7.765 0.000 . 1 . . . A 50 LEU H . 18715 1 546 . 1 1 49 49 LEU HA H 1 4.146 0.006 . 1 . . . A 50 LEU HA . 18715 1 547 . 1 1 49 49 LEU HB2 H 1 1.722 0.000 . 1 . . . A 50 LEU HB2 . 18715 1 548 . 1 1 49 49 LEU HB3 H 1 1.477 0.000 . 1 . . . A 50 LEU HB3 . 18715 1 549 . 1 1 49 49 LEU HG H 1 1.753 0.000 . 1 . . . A 50 LEU HG . 18715 1 550 . 1 1 49 49 LEU HD11 H 1 0.905 0.003 . 1 . . . A 50 LEU HD11 . 18715 1 551 . 1 1 49 49 LEU HD12 H 1 0.905 0.003 . 1 . . . A 50 LEU HD12 . 18715 1 552 . 1 1 49 49 LEU HD13 H 1 0.905 0.003 . 1 . . . A 50 LEU HD13 . 18715 1 553 . 1 1 49 49 LEU HD21 H 1 0.992 0.003 . 1 . . . A 50 LEU HD21 . 18715 1 554 . 1 1 49 49 LEU HD22 H 1 0.992 0.003 . 1 . . . A 50 LEU HD22 . 18715 1 555 . 1 1 49 49 LEU HD23 H 1 0.992 0.003 . 1 . . . A 50 LEU HD23 . 18715 1 556 . 1 1 49 49 LEU CA C 13 57.241 0.049 . 1 . . . A 50 LEU CA . 18715 1 557 . 1 1 49 49 LEU CB C 13 41.563 0.000 . 1 . . . A 50 LEU CB . 18715 1 558 . 1 1 49 49 LEU CG C 13 27.887 0.013 . 1 . . . A 50 LEU CG . 18715 1 559 . 1 1 49 49 LEU CD1 C 13 25.658 0.032 . 1 . . . A 50 LEU CD1 . 18715 1 560 . 1 1 49 49 LEU CD2 C 13 22.593 0.037 . 1 . . . A 50 LEU CD2 . 18715 1 561 . 1 1 49 49 LEU N N 15 121.728 0.000 . 1 . . . A 50 LEU N . 18715 1 562 . 1 1 50 50 LEU H H 1 7.412 0.000 . 1 . . . A 51 LEU H . 18715 1 563 . 1 1 50 50 LEU HA H 1 4.238 0.000 . 1 . . . A 51 LEU HA . 18715 1 564 . 1 1 50 50 LEU HB2 H 1 1.385 0.000 . 1 . . . A 51 LEU HB2 . 18715 1 565 . 1 1 50 50 LEU HB3 H 1 1.784 0.000 . 1 . . . A 51 LEU HB3 . 18715 1 566 . 1 1 50 50 LEU HG H 1 1.625 0.000 . 1 . . . A 51 LEU HG . 18715 1 567 . 1 1 50 50 LEU HD11 H 1 0.835 0.000 . 1 . . . A 51 LEU HD11 . 18715 1 568 . 1 1 50 50 LEU HD12 H 1 0.835 0.000 . 1 . . . A 51 LEU HD12 . 18715 1 569 . 1 1 50 50 LEU HD13 H 1 0.835 0.000 . 1 . . . A 51 LEU HD13 . 18715 1 570 . 1 1 50 50 LEU HD21 H 1 0.807 0.000 . 1 . . . A 51 LEU HD21 . 18715 1 571 . 1 1 50 50 LEU HD22 H 1 0.807 0.000 . 1 . . . A 51 LEU HD22 . 18715 1 572 . 1 1 50 50 LEU HD23 H 1 0.807 0.000 . 1 . . . A 51 LEU HD23 . 18715 1 573 . 1 1 50 50 LEU CA C 13 56.507 0.000 . 1 . . . A 51 LEU CA . 18715 1 574 . 1 1 50 50 LEU CB C 13 42.490 0.000 . 1 . . . A 51 LEU CB . 18715 1 575 . 1 1 50 50 LEU CG C 13 27.081 0.000 . 1 . . . A 51 LEU CG . 18715 1 576 . 1 1 50 50 LEU CD1 C 13 23.088 0.000 . 1 . . . A 51 LEU CD1 . 18715 1 577 . 1 1 50 50 LEU CD2 C 13 25.800 0.000 . 1 . . . A 51 LEU CD2 . 18715 1 578 . 1 1 50 50 LEU N N 15 112.040 0.000 . 1 . . . A 51 LEU N . 18715 1 579 . 1 1 51 51 GLU H H 1 7.500 0.000 . 1 . . . A 52 GLU H . 18715 1 580 . 1 1 51 51 GLU HA H 1 4.055 0.000 . 1 . . . A 52 GLU HA . 18715 1 581 . 1 1 51 51 GLU HB2 H 1 2.133 0.000 . 1 . . . A 52 GLU HB2 . 18715 1 582 . 1 1 51 51 GLU HB3 H 1 2.176 0.000 . 1 . . . A 52 GLU HB3 . 18715 1 583 . 1 1 51 51 GLU HG2 H 1 2.272 0.000 . 1 . . . A 52 GLU HG2 . 18715 1 584 . 1 1 51 51 GLU HG3 H 1 2.315 0.000 . 1 . . . A 52 GLU HG3 . 18715 1 585 . 1 1 51 51 GLU CA C 13 58.384 0.000 . 1 . . . A 52 GLU CA . 18715 1 586 . 1 1 51 51 GLU CB C 13 31.058 0.000 . 1 . . . A 52 GLU CB . 18715 1 587 . 1 1 51 51 GLU CG C 13 37.142 0.000 . 1 . . . A 52 GLU CG . 18715 1 588 . 1 1 51 51 GLU N N 15 114.540 0.000 . 1 . . . A 52 GLU N . 18715 1 589 . 1 1 52 52 THR H H 1 7.235 0.000 . 1 . . . A 53 THR H . 18715 1 590 . 1 1 52 52 THR HA H 1 4.402 0.000 . 1 . . . A 53 THR HA . 18715 1 591 . 1 1 52 52 THR HB H 1 4.544 0.000 . 1 . . . A 53 THR HB . 18715 1 592 . 1 1 52 52 THR HG21 H 1 1.086 0.000 . 1 . . . A 53 THR HG21 . 18715 1 593 . 1 1 52 52 THR HG22 H 1 1.086 0.000 . 1 . . . A 53 THR HG22 . 18715 1 594 . 1 1 52 52 THR HG23 H 1 1.086 0.000 . 1 . . . A 53 THR HG23 . 18715 1 595 . 1 1 52 52 THR CA C 13 58.306 0.000 . 1 . . . A 53 THR CA . 18715 1 596 . 1 1 52 52 THR CB C 13 73.222 0.000 . 1 . . . A 53 THR CB . 18715 1 597 . 1 1 52 52 THR CG2 C 13 21.482 0.000 . 1 . . . A 53 THR CG2 . 18715 1 598 . 1 1 52 52 THR N N 15 122.978 0.000 . 1 . . . A 53 THR N . 18715 1 599 . 1 1 53 53 SER H H 1 9.313 0.000 . 1 . . . A 54 SER H . 18715 1 600 . 1 1 53 53 SER HA H 1 4.043 0.000 . 1 . . . A 54 SER HA . 18715 1 601 . 1 1 53 53 SER HB2 H 1 3.752 0.000 . 1 . . . A 54 SER HB2 . 18715 1 602 . 1 1 53 53 SER HB3 H 1 3.752 0.000 . 1 . . . A 54 SER HB3 . 18715 1 603 . 1 1 53 53 SER CA C 13 62.657 0.000 . 1 . . . A 54 SER CA . 18715 1 604 . 1 1 53 53 SER CB C 13 62.562 0.000 . 1 . . . A 54 SER CB . 18715 1 605 . 1 1 53 53 SER N N 15 119.228 0.000 . 1 . . . A 54 SER N . 18715 1 606 . 1 1 54 54 GLU H H 1 8.975 0.000 . 1 . . . A 55 GLU H . 18715 1 607 . 1 1 54 54 GLU HA H 1 4.069 0.000 . 1 . . . A 55 GLU HA . 18715 1 608 . 1 1 54 54 GLU HB2 H 1 2.014 0.000 . 1 . . . A 55 GLU HB2 . 18715 1 609 . 1 1 54 54 GLU HB3 H 1 2.000 0.000 . 1 . . . A 55 GLU HB3 . 18715 1 610 . 1 1 54 54 GLU HG2 H 1 2.363 0.000 . 1 . . . A 55 GLU HG2 . 18715 1 611 . 1 1 54 54 GLU HG3 H 1 2.307 0.000 . 1 . . . A 55 GLU HG3 . 18715 1 612 . 1 1 54 54 GLU CA C 13 59.675 0.000 . 1 . . . A 55 GLU CA . 18715 1 613 . 1 1 54 54 GLU CB C 13 28.999 0.000 . 1 . . . A 55 GLU CB . 18715 1 614 . 1 1 54 54 GLU CG C 13 36.083 0.000 . 1 . . . A 55 GLU CG . 18715 1 615 . 1 1 54 54 GLU N N 15 121.233 0.000 . 1 . . . A 55 GLU N . 18715 1 616 . 1 1 55 55 GLY H H 1 8.517 0.000 . 1 . . . A 56 GLY H . 18715 1 617 . 1 1 55 55 GLY HA2 H 1 4.628 0.000 . 1 . . . A 56 GLY HA2 . 18715 1 618 . 1 1 55 55 GLY HA3 H 1 3.781 0.000 . 1 . . . A 56 GLY HA3 . 18715 1 619 . 1 1 55 55 GLY CA C 13 47.866 0.000 . 1 . . . A 56 GLY CA . 18715 1 620 . 1 1 55 55 GLY N N 15 110.790 0.000 . 1 . . . A 56 GLY N . 18715 1 621 . 1 1 56 56 CYS H H 1 8.122 0.000 . 1 . . . A 57 CYS H . 18715 1 622 . 1 1 56 56 CYS HA H 1 4.020 0.000 . 1 . . . A 57 CYS HA . 18715 1 623 . 1 1 56 56 CYS HB2 H 1 2.499 0.000 . 1 . . . A 57 CYS HB2 . 18715 1 624 . 1 1 56 56 CYS HB3 H 1 3.478 0.000 . 1 . . . A 57 CYS HB3 . 18715 1 625 . 1 1 56 56 CYS CA C 13 64.602 0.000 . 1 . . . A 57 CYS CA . 18715 1 626 . 1 1 56 56 CYS CB C 13 47.795 0.000 . 1 . . . A 57 CYS CB . 18715 1 627 . 1 1 56 56 CYS N N 15 118.602 0.000 . 1 . . . A 57 CYS N . 18715 1 628 . 1 1 57 57 ARG H H 1 8.488 0.000 . 1 . . . A 58 ARG H . 18715 1 629 . 1 1 57 57 ARG HA H 1 3.550 0.000 . 1 . . . A 58 ARG HA . 18715 1 630 . 1 1 57 57 ARG HB2 H 1 1.965 0.000 . 1 . . . A 58 ARG HB2 . 18715 1 631 . 1 1 57 57 ARG HB3 H 1 1.989 0.000 . 1 . . . A 58 ARG HB3 . 18715 1 632 . 1 1 57 57 ARG HG2 H 1 1.500 0.000 . 1 . . . A 58 ARG HG2 . 18715 1 633 . 1 1 57 57 ARG HG3 H 1 1.500 0.000 . 1 . . . A 58 ARG HG3 . 18715 1 634 . 1 1 57 57 ARG HD2 H 1 3.095 0.000 . 1 . . . A 58 ARG HD2 . 18715 1 635 . 1 1 57 57 ARG HD3 H 1 3.095 0.000 . 1 . . . A 58 ARG HD3 . 18715 1 636 . 1 1 57 57 ARG CA C 13 59.707 0.000 . 1 . . . A 58 ARG CA . 18715 1 637 . 1 1 57 57 ARG CB C 13 29.449 0.000 . 1 . . . A 58 ARG CB . 18715 1 638 . 1 1 57 57 ARG CG C 13 27.749 0.000 . 1 . . . A 58 ARG CG . 18715 1 639 . 1 1 57 57 ARG CD C 13 43.247 0.000 . 1 . . . A 58 ARG CD . 18715 1 640 . 1 1 57 57 ARG N N 15 119.540 0.000 . 1 . . . A 58 ARG N . 18715 1 641 . 1 1 58 58 GLN H H 1 8.016 0.000 . 1 . . . A 59 GLN H . 18715 1 642 . 1 1 58 58 GLN HA H 1 4.052 0.000 . 1 . . . A 59 GLN HA . 18715 1 643 . 1 1 58 58 GLN HB2 H 1 2.349 0.000 . 1 . . . A 59 GLN HB2 . 18715 1 644 . 1 1 58 58 GLN HB3 H 1 2.349 0.000 . 1 . . . A 59 GLN HB3 . 18715 1 645 . 1 1 58 58 GLN HG2 H 1 2.427 0.000 . 1 . . . A 59 GLN HG2 . 18715 1 646 . 1 1 58 58 GLN HG3 H 1 2.482 0.000 . 1 . . . A 59 GLN HG3 . 18715 1 647 . 1 1 58 58 GLN CA C 13 59.400 0.000 . 1 . . . A 59 GLN CA . 18715 1 648 . 1 1 58 58 GLN CB C 13 28.234 0.000 . 1 . . . A 59 GLN CB . 18715 1 649 . 1 1 58 58 GLN CG C 13 33.835 0.000 . 1 . . . A 59 GLN CG . 18715 1 650 . 1 1 58 58 GLN N N 15 119.852 0.000 . 1 . . . A 59 GLN N . 18715 1 651 . 1 1 59 59 ILE H H 1 8.163 0.000 . 1 . . . A 60 ILE H . 18715 1 652 . 1 1 59 59 ILE HA H 1 3.611 0.006 . 1 . . . A 60 ILE HA . 18715 1 653 . 1 1 59 59 ILE HB H 1 1.912 0.000 . 1 . . . A 60 ILE HB . 18715 1 654 . 1 1 59 59 ILE HG12 H 1 1.921 0.017 . 1 . . . A 60 ILE HG12 . 18715 1 655 . 1 1 59 59 ILE HG13 H 1 0.850 0.001 . 1 . . . A 60 ILE HG13 . 18715 1 656 . 1 1 59 59 ILE HG21 H 1 0.878 0.003 . 1 . . . A 60 ILE HG21 . 18715 1 657 . 1 1 59 59 ILE HG22 H 1 0.878 0.003 . 1 . . . A 60 ILE HG22 . 18715 1 658 . 1 1 59 59 ILE HG23 H 1 0.878 0.003 . 1 . . . A 60 ILE HG23 . 18715 1 659 . 1 1 59 59 ILE HD11 H 1 0.765 0.023 . 1 . . . A 60 ILE HD11 . 18715 1 660 . 1 1 59 59 ILE HD12 H 1 0.765 0.023 . 1 . . . A 60 ILE HD12 . 18715 1 661 . 1 1 59 59 ILE HD13 H 1 0.765 0.023 . 1 . . . A 60 ILE HD13 . 18715 1 662 . 1 1 59 59 ILE CA C 13 65.590 0.037 . 1 . . . A 60 ILE CA . 18715 1 663 . 1 1 59 59 ILE CB C 13 37.850 0.015 . 1 . . . A 60 ILE CB . 18715 1 664 . 1 1 59 59 ILE CG1 C 13 28.193 0.076 . 1 . . . A 60 ILE CG1 . 18715 1 665 . 1 1 59 59 ILE CG2 C 13 19.328 0.058 . 1 . . . A 60 ILE CG2 . 18715 1 666 . 1 1 59 59 ILE CD1 C 13 14.884 0.031 . 1 . . . A 60 ILE CD1 . 18715 1 667 . 1 1 59 59 ILE N N 15 120.790 0.000 . 1 . . . A 60 ILE N . 18715 1 668 . 1 1 60 60 LEU H H 1 8.370 0.000 . 1 . . . A 61 LEU H . 18715 1 669 . 1 1 60 60 LEU HA H 1 3.895 0.000 . 1 . . . A 61 LEU HA . 18715 1 670 . 1 1 60 60 LEU HB2 H 1 1.752 0.000 . 1 . . . A 61 LEU HB2 . 18715 1 671 . 1 1 60 60 LEU HB3 H 1 1.270 0.000 . 1 . . . A 61 LEU HB3 . 18715 1 672 . 1 1 60 60 LEU HG H 1 1.663 0.000 . 1 . . . A 61 LEU HG . 18715 1 673 . 1 1 60 60 LEU HD11 H 1 0.405 0.005 . 1 . . . A 61 LEU HD11 . 18715 1 674 . 1 1 60 60 LEU HD12 H 1 0.405 0.005 . 1 . . . A 61 LEU HD12 . 18715 1 675 . 1 1 60 60 LEU HD13 H 1 0.405 0.005 . 1 . . . A 61 LEU HD13 . 18715 1 676 . 1 1 60 60 LEU HD21 H 1 0.055 0.002 . 1 . . . A 61 LEU HD21 . 18715 1 677 . 1 1 60 60 LEU HD22 H 1 0.055 0.002 . 1 . . . A 61 LEU HD22 . 18715 1 678 . 1 1 60 60 LEU HD23 H 1 0.055 0.002 . 1 . . . A 61 LEU HD23 . 18715 1 679 . 1 1 60 60 LEU CA C 13 58.654 0.009 . 1 . . . A 61 LEU CA . 18715 1 680 . 1 1 60 60 LEU CB C 13 40.776 0.000 . 1 . . . A 61 LEU CB . 18715 1 681 . 1 1 60 60 LEU CG C 13 25.965 0.000 . 1 . . . A 61 LEU CG . 18715 1 682 . 1 1 60 60 LEU CD1 C 13 25.415 0.080 . 1 . . . A 61 LEU CD1 . 18715 1 683 . 1 1 60 60 LEU CD2 C 13 22.465 0.032 . 1 . . . A 61 LEU CD2 . 18715 1 684 . 1 1 60 60 LEU N N 15 118.915 0.000 . 1 . . . A 61 LEU N . 18715 1 685 . 1 1 61 61 GLY H H 1 7.883 0.000 . 1 . . . A 62 GLY H . 18715 1 686 . 1 1 61 61 GLY HA2 H 1 3.950 0.000 . 1 . . . A 62 GLY HA2 . 18715 1 687 . 1 1 61 61 GLY HA3 H 1 4.018 0.000 . 1 . . . A 62 GLY HA3 . 18715 1 688 . 1 1 61 61 GLY CA C 13 47.184 0.000 . 1 . . . A 62 GLY CA . 18715 1 689 . 1 1 61 61 GLY N N 15 104.332 0.000 . 1 . . . A 62 GLY N . 18715 1 690 . 1 1 62 62 GLN H H 1 7.795 0.000 . 1 . . . A 63 GLN H . 18715 1 691 . 1 1 62 62 GLN HA H 1 4.152 0.003 . 1 . . . A 63 GLN HA . 18715 1 692 . 1 1 62 62 GLN HB2 H 1 2.240 0.006 . 1 . . . A 63 GLN HB2 . 18715 1 693 . 1 1 62 62 GLN HB3 H 1 2.124 0.003 . 1 . . . A 63 GLN HB3 . 18715 1 694 . 1 1 62 62 GLN HG2 H 1 2.508 0.006 . 1 . . . A 63 GLN HG2 . 18715 1 695 . 1 1 62 62 GLN HG3 H 1 2.386 0.000 . 1 . . . A 63 GLN HG3 . 18715 1 696 . 1 1 62 62 GLN CA C 13 57.994 0.080 . 1 . . . A 63 GLN CA . 18715 1 697 . 1 1 62 62 GLN CB C 13 29.199 0.098 . 1 . . . A 63 GLN CB . 18715 1 698 . 1 1 62 62 GLN CG C 13 34.205 0.105 . 1 . . . A 63 GLN CG . 18715 1 699 . 1 1 62 62 GLN N N 15 119.852 0.000 . 1 . . . A 63 GLN N . 18715 1 700 . 1 1 63 63 LEU H H 1 8.252 0.000 . 1 . . . A 64 LEU H . 18715 1 701 . 1 1 63 63 LEU HA H 1 4.281 0.002 . 1 . . . A 64 LEU HA . 18715 1 702 . 1 1 63 63 LEU HB2 H 1 2.104 0.004 . 1 . . . A 64 LEU HB2 . 18715 1 703 . 1 1 63 63 LEU HB3 H 1 1.508 0.006 . 1 . . . A 64 LEU HB3 . 18715 1 704 . 1 1 63 63 LEU HG H 1 1.902 0.000 . 1 . . . A 64 LEU HG . 18715 1 705 . 1 1 63 63 LEU HD11 H 1 0.770 0.004 . 1 . . . A 64 LEU HD11 . 18715 1 706 . 1 1 63 63 LEU HD12 H 1 0.770 0.004 . 1 . . . A 64 LEU HD12 . 18715 1 707 . 1 1 63 63 LEU HD13 H 1 0.770 0.004 . 1 . . . A 64 LEU HD13 . 18715 1 708 . 1 1 63 63 LEU HD21 H 1 0.641 0.018 . 1 . . . A 64 LEU HD21 . 18715 1 709 . 1 1 63 63 LEU HD22 H 1 0.641 0.018 . 1 . . . A 64 LEU HD22 . 18715 1 710 . 1 1 63 63 LEU HD23 H 1 0.641 0.018 . 1 . . . A 64 LEU HD23 . 18715 1 711 . 1 1 63 63 LEU CA C 13 56.101 0.113 . 1 . . . A 64 LEU CA . 18715 1 712 . 1 1 63 63 LEU CB C 13 44.243 0.079 . 1 . . . A 64 LEU CB . 18715 1 713 . 1 1 63 63 LEU CG C 13 26.595 0.000 . 1 . . . A 64 LEU CG . 18715 1 714 . 1 1 63 63 LEU CD1 C 13 25.896 0.062 . 1 . . . A 64 LEU CD1 . 18715 1 715 . 1 1 63 63 LEU CD2 C 13 21.811 0.052 . 1 . . . A 64 LEU CD2 . 18715 1 716 . 1 1 63 63 LEU N N 15 117.040 0.000 . 1 . . . A 64 LEU N . 18715 1 717 . 1 1 64 64 GLN H H 1 8.104 0.000 . 1 . . . A 65 GLN H . 18715 1 718 . 1 1 64 64 GLN HA H 1 3.779 0.000 . 1 . . . A 65 GLN HA . 18715 1 719 . 1 1 64 64 GLN HB2 H 1 2.576 0.000 . 1 . . . A 65 GLN HB2 . 18715 1 720 . 1 1 64 64 GLN HB3 H 1 2.494 0.000 . 1 . . . A 65 GLN HB3 . 18715 1 721 . 1 1 64 64 GLN HG2 H 1 2.377 0.000 . 1 . . . A 65 GLN HG2 . 18715 1 722 . 1 1 64 64 GLN HG3 H 1 2.377 0.000 . 1 . . . A 65 GLN HG3 . 18715 1 723 . 1 1 64 64 GLN CA C 13 61.547 0.000 . 1 . . . A 65 GLN CA . 18715 1 724 . 1 1 64 64 GLN CB C 13 25.864 0.000 . 1 . . . A 65 GLN CB . 18715 1 725 . 1 1 64 64 GLN CG C 13 34.077 0.000 . 1 . . . A 65 GLN CG . 18715 1 726 . 1 1 64 64 GLN N N 15 118.915 0.000 . 1 . . . A 65 GLN N . 18715 1 727 . 1 1 65 65 PRO HA H 1 4.383 0.000 . 1 . . . A 66 PRO HA . 18715 1 728 . 1 1 65 65 PRO HB2 H 1 1.834 0.000 . 1 . . . A 66 PRO HB2 . 18715 1 729 . 1 1 65 65 PRO HB3 H 1 2.379 0.000 . 1 . . . A 66 PRO HB3 . 18715 1 730 . 1 1 65 65 PRO HG2 H 1 2.042 0.000 . 1 . . . A 66 PRO HG2 . 18715 1 731 . 1 1 65 65 PRO HG3 H 1 2.043 0.000 . 1 . . . A 66 PRO HG3 . 18715 1 732 . 1 1 65 65 PRO HD2 H 1 3.768 0.000 . 1 . . . A 66 PRO HD2 . 18715 1 733 . 1 1 65 65 PRO HD3 H 1 3.567 0.000 . 1 . . . A 66 PRO HD3 . 18715 1 734 . 1 1 65 65 PRO CA C 13 65.917 0.000 . 1 . . . A 66 PRO CA . 18715 1 735 . 1 1 65 65 PRO CB C 13 31.099 0.000 . 1 . . . A 66 PRO CB . 18715 1 736 . 1 1 65 65 PRO CG C 13 28.237 0.000 . 1 . . . A 66 PRO CG . 18715 1 737 . 1 1 65 65 PRO CD C 13 50.882 0.000 . 1 . . . A 66 PRO CD . 18715 1 738 . 1 1 66 66 SER H H 1 7.824 0.000 . 1 . . . A 67 SER H . 18715 1 739 . 1 1 66 66 SER HA H 1 4.493 0.000 . 1 . . . A 67 SER HA . 18715 1 740 . 1 1 66 66 SER HB2 H 1 3.933 0.000 . 1 . . . A 67 SER HB2 . 18715 1 741 . 1 1 66 66 SER HB3 H 1 3.933 0.000 . 1 . . . A 67 SER HB3 . 18715 1 742 . 1 1 66 66 SER CA C 13 59.696 0.000 . 1 . . . A 67 SER CA . 18715 1 743 . 1 1 66 66 SER CB C 13 64.031 0.000 . 1 . . . A 67 SER CB . 18715 1 744 . 1 1 66 66 SER N N 15 111.415 0.000 . 1 . . . A 67 SER N . 18715 1 745 . 1 1 67 67 LEU H H 1 7.647 0.000 . 1 . . . A 68 LEU H . 18715 1 746 . 1 1 67 67 LEU HA H 1 3.816 0.000 . 1 . . . A 68 LEU HA . 18715 1 747 . 1 1 67 67 LEU HB2 H 1 1.618 0.002 . 1 . . . A 68 LEU HB2 . 18715 1 748 . 1 1 67 67 LEU HB3 H 1 1.360 0.000 . 1 . . . A 68 LEU HB3 . 18715 1 749 . 1 1 67 67 LEU HG H 1 1.473 0.000 . 1 . . . A 68 LEU HG . 18715 1 750 . 1 1 67 67 LEU HD11 H 1 0.164 0.003 . 1 . . . A 68 LEU HD11 . 18715 1 751 . 1 1 67 67 LEU HD12 H 1 0.164 0.003 . 1 . . . A 68 LEU HD12 . 18715 1 752 . 1 1 67 67 LEU HD13 H 1 0.164 0.003 . 1 . . . A 68 LEU HD13 . 18715 1 753 . 1 1 67 67 LEU HD21 H 1 0.359 0.003 . 1 . . . A 68 LEU HD21 . 18715 1 754 . 1 1 67 67 LEU HD22 H 1 0.359 0.003 . 1 . . . A 68 LEU HD22 . 18715 1 755 . 1 1 67 67 LEU HD23 H 1 0.359 0.003 . 1 . . . A 68 LEU HD23 . 18715 1 756 . 1 1 67 67 LEU CA C 13 57.948 0.073 . 1 . . . A 68 LEU CA . 18715 1 757 . 1 1 67 67 LEU CB C 13 41.769 0.077 . 1 . . . A 68 LEU CB . 18715 1 758 . 1 1 67 67 LEU CG C 13 26.187 0.065 . 1 . . . A 68 LEU CG . 18715 1 759 . 1 1 67 67 LEU CD1 C 13 23.983 0.061 . 1 . . . A 68 LEU CD1 . 18715 1 760 . 1 1 67 67 LEU CD2 C 13 22.155 0.023 . 1 . . . A 68 LEU CD2 . 18715 1 761 . 1 1 67 67 LEU N N 15 121.102 0.000 . 1 . . . A 68 LEU N . 18715 1 762 . 1 1 68 68 GLN H H 1 8.060 0.000 . 1 . . . A 69 GLN H . 18715 1 763 . 1 1 68 68 GLN HA H 1 4.069 0.000 . 1 . . . A 69 GLN HA . 18715 1 764 . 1 1 68 68 GLN HB2 H 1 2.132 0.000 . 1 . . . A 69 GLN HB2 . 18715 1 765 . 1 1 68 68 GLN HB3 H 1 2.132 0.000 . 1 . . . A 69 GLN HB3 . 18715 1 766 . 1 1 68 68 GLN HG2 H 1 2.398 0.000 . 1 . . . A 69 GLN HG2 . 18715 1 767 . 1 1 68 68 GLN HG3 H 1 2.398 0.000 . 1 . . . A 69 GLN HG3 . 18715 1 768 . 1 1 68 68 GLN CA C 13 58.470 0.000 . 1 . . . A 69 GLN CA . 18715 1 769 . 1 1 68 68 GLN CB C 13 28.428 0.000 . 1 . . . A 69 GLN CB . 18715 1 770 . 1 1 68 68 GLN CG C 13 33.771 0.000 . 1 . . . A 69 GLN CG . 18715 1 771 . 1 1 68 68 GLN N N 15 116.415 0.000 . 1 . . . A 69 GLN N . 18715 1 772 . 1 1 69 69 THR H H 1 7.515 0.000 . 1 . . . A 70 THR H . 18715 1 773 . 1 1 69 69 THR HA H 1 4.481 0.000 . 1 . . . A 70 THR HA . 18715 1 774 . 1 1 69 69 THR HB H 1 4.527 0.002 . 1 . . . A 70 THR HB . 18715 1 775 . 1 1 69 69 THR HG21 H 1 1.192 0.000 . 1 . . . A 70 THR HG21 . 18715 1 776 . 1 1 69 69 THR HG22 H 1 1.192 0.000 . 1 . . . A 70 THR HG22 . 18715 1 777 . 1 1 69 69 THR HG23 H 1 1.192 0.000 . 1 . . . A 70 THR HG23 . 18715 1 778 . 1 1 69 69 THR CA C 13 61.291 0.068 . 1 . . . A 70 THR CA . 18715 1 779 . 1 1 69 69 THR CB C 13 69.415 0.052 . 1 . . . A 70 THR CB . 18715 1 780 . 1 1 69 69 THR CG2 C 13 21.573 0.000 . 1 . . . A 70 THR CG2 . 18715 1 781 . 1 1 69 69 THR N N 15 106.728 0.000 . 1 . . . A 70 THR N . 18715 1 782 . 1 1 70 70 GLY H H 1 7.692 0.000 . 1 . . . A 71 GLY H . 18715 1 783 . 1 1 70 70 GLY HA2 H 1 4.211 0.000 . 1 . . . A 71 GLY HA2 . 18715 1 784 . 1 1 70 70 GLY HA3 H 1 3.909 0.000 . 1 . . . A 71 GLY HA3 . 18715 1 785 . 1 1 70 70 GLY CA C 13 45.553 0.000 . 1 . . . A 71 GLY CA . 18715 1 786 . 1 1 70 70 GLY N N 15 109.540 0.000 . 1 . . . A 71 GLY N . 18715 1 787 . 1 1 71 71 SER H H 1 8.045 0.000 . 1 . . . A 72 SER H . 18715 1 788 . 1 1 71 71 SER HA H 1 4.625 0.000 . 1 . . . A 72 SER HA . 18715 1 789 . 1 1 71 71 SER HB2 H 1 4.387 0.000 . 1 . . . A 72 SER HB2 . 18715 1 790 . 1 1 71 71 SER HB3 H 1 4.027 0.000 . 1 . . . A 72 SER HB3 . 18715 1 791 . 1 1 71 71 SER CA C 13 57.319 0.000 . 1 . . . A 72 SER CA . 18715 1 792 . 1 1 71 71 SER CB C 13 64.599 0.000 . 1 . . . A 72 SER CB . 18715 1 793 . 1 1 71 71 SER N N 15 114.540 0.000 . 1 . . . A 72 SER N . 18715 1 794 . 1 1 72 72 GLU H H 1 9.092 0.000 . 1 . . . A 73 GLU H . 18715 1 795 . 1 1 72 72 GLU HA H 1 4.087 0.000 . 1 . . . A 73 GLU HA . 18715 1 796 . 1 1 72 72 GLU HB2 H 1 2.114 0.000 . 1 . . . A 73 GLU HB2 . 18715 1 797 . 1 1 72 72 GLU HB3 H 1 2.037 0.000 . 1 . . . A 73 GLU HB3 . 18715 1 798 . 1 1 72 72 GLU HG2 H 1 2.382 0.000 . 1 . . . A 73 GLU HG2 . 18715 1 799 . 1 1 72 72 GLU HG3 H 1 2.382 0.000 . 1 . . . A 73 GLU HG3 . 18715 1 800 . 1 1 72 72 GLU CA C 13 59.380 0.000 . 1 . . . A 73 GLU CA . 18715 1 801 . 1 1 72 72 GLU CB C 13 29.302 0.000 . 1 . . . A 73 GLU CB . 18715 1 802 . 1 1 72 72 GLU CG C 13 36.063 0.000 . 1 . . . A 73 GLU CG . 18715 1 803 . 1 1 72 72 GLU N N 15 124.228 0.000 . 1 . . . A 73 GLU N . 18715 1 804 . 1 1 73 73 GLU H H 1 8.665 0.000 . 1 . . . A 74 GLU H . 18715 1 805 . 1 1 73 73 GLU HA H 1 4.289 0.000 . 1 . . . A 74 GLU HA . 18715 1 806 . 1 1 73 73 GLU HB2 H 1 2.228 0.000 . 1 . . . A 74 GLU HB2 . 18715 1 807 . 1 1 73 73 GLU HB3 H 1 2.128 0.000 . 1 . . . A 74 GLU HB3 . 18715 1 808 . 1 1 73 73 GLU HG2 H 1 2.504 0.000 . 1 . . . A 74 GLU HG2 . 18715 1 809 . 1 1 73 73 GLU HG3 H 1 2.406 0.000 . 1 . . . A 74 GLU HG3 . 18715 1 810 . 1 1 73 73 GLU CA C 13 60.228 0.000 . 1 . . . A 74 GLU CA . 18715 1 811 . 1 1 73 73 GLU CB C 13 29.462 0.000 . 1 . . . A 74 GLU CB . 18715 1 812 . 1 1 73 73 GLU CG C 13 36.623 0.000 . 1 . . . A 74 GLU CG . 18715 1 813 . 1 1 73 73 GLU N N 15 120.165 0.000 . 1 . . . A 74 GLU N . 18715 1 814 . 1 1 74 74 LEU H H 1 7.765 0.000 . 1 . . . A 75 LEU H . 18715 1 815 . 1 1 74 74 LEU HA H 1 4.161 0.011 . 1 . . . A 75 LEU HA . 18715 1 816 . 1 1 74 74 LEU HB2 H 1 1.803 0.000 . 1 . . . A 75 LEU HB2 . 18715 1 817 . 1 1 74 74 LEU HB3 H 1 1.695 0.000 . 1 . . . A 75 LEU HB3 . 18715 1 818 . 1 1 74 74 LEU HG H 1 1.695 0.000 . 1 . . . A 75 LEU HG . 18715 1 819 . 1 1 74 74 LEU HD11 H 1 0.884 0.014 . 1 . . . A 75 LEU HD11 . 18715 1 820 . 1 1 74 74 LEU HD12 H 1 0.884 0.014 . 1 . . . A 75 LEU HD12 . 18715 1 821 . 1 1 74 74 LEU HD13 H 1 0.884 0.014 . 1 . . . A 75 LEU HD13 . 18715 1 822 . 1 1 74 74 LEU HD21 H 1 0.828 0.004 . 1 . . . A 75 LEU HD21 . 18715 1 823 . 1 1 74 74 LEU HD22 H 1 0.828 0.004 . 1 . . . A 75 LEU HD22 . 18715 1 824 . 1 1 74 74 LEU HD23 H 1 0.828 0.004 . 1 . . . A 75 LEU HD23 . 18715 1 825 . 1 1 74 74 LEU CA C 13 57.953 0.022 . 1 . . . A 75 LEU CA . 18715 1 826 . 1 1 74 74 LEU CB C 13 41.268 0.078 . 1 . . . A 75 LEU CB . 18715 1 827 . 1 1 74 74 LEU CG C 13 27.826 0.000 . 1 . . . A 75 LEU CG . 18715 1 828 . 1 1 74 74 LEU CD1 C 13 25.039 0.063 . 1 . . . A 75 LEU CD1 . 18715 1 829 . 1 1 74 74 LEU CD2 C 13 25.216 0.014 . 1 . . . A 75 LEU CD2 . 18715 1 830 . 1 1 74 74 LEU N N 15 121.415 0.000 . 1 . . . A 75 LEU N . 18715 1 831 . 1 1 75 75 ARG H H 1 7.868 0.000 . 1 . . . A 76 ARG H . 18715 1 832 . 1 1 75 75 ARG HA H 1 3.933 0.000 . 1 . . . A 76 ARG HA . 18715 1 833 . 1 1 75 75 ARG HB2 H 1 2.022 0.000 . 1 . . . A 76 ARG HB2 . 18715 1 834 . 1 1 75 75 ARG HB3 H 1 2.022 0.000 . 1 . . . A 76 ARG HB3 . 18715 1 835 . 1 1 75 75 ARG HG2 H 1 1.672 0.000 . 1 . . . A 76 ARG HG2 . 18715 1 836 . 1 1 75 75 ARG HG3 H 1 1.672 0.000 . 1 . . . A 76 ARG HG3 . 18715 1 837 . 1 1 75 75 ARG HD2 H 1 3.246 0.000 . 1 . . . A 76 ARG HD2 . 18715 1 838 . 1 1 75 75 ARG HD3 H 1 3.246 0.000 . 1 . . . A 76 ARG HD3 . 18715 1 839 . 1 1 75 75 ARG CA C 13 59.682 0.000 . 1 . . . A 76 ARG CA . 18715 1 840 . 1 1 75 75 ARG CB C 13 29.197 0.000 . 1 . . . A 76 ARG CB . 18715 1 841 . 1 1 75 75 ARG CG C 13 27.371 0.000 . 1 . . . A 76 ARG CG . 18715 1 842 . 1 1 75 75 ARG CD C 13 43.051 0.000 . 1 . . . A 76 ARG CD . 18715 1 843 . 1 1 75 75 ARG N N 15 119.228 0.000 . 1 . . . A 76 ARG N . 18715 1 844 . 1 1 76 76 SER H H 1 8.576 0.000 . 1 . . . A 77 SER H . 18715 1 845 . 1 1 76 76 SER HA H 1 4.263 0.000 . 1 . . . A 77 SER HA . 18715 1 846 . 1 1 76 76 SER HB2 H 1 4.217 0.000 . 1 . . . A 77 SER HB2 . 18715 1 847 . 1 1 76 76 SER HB3 H 1 4.217 0.000 . 1 . . . A 77 SER HB3 . 18715 1 848 . 1 1 76 76 SER CA C 13 62.668 0.000 . 1 . . . A 77 SER CA . 18715 1 849 . 1 1 76 76 SER CB C 13 62.849 0.000 . 1 . . . A 77 SER CB . 18715 1 850 . 1 1 76 76 SER N N 15 114.228 0.000 . 1 . . . A 77 SER N . 18715 1 851 . 1 1 77 77 LEU H H 1 8.458 0.000 . 1 . . . A 78 LEU H . 18715 1 852 . 1 1 77 77 LEU HA H 1 4.421 0.000 . 1 . . . A 78 LEU HA . 18715 1 853 . 1 1 77 77 LEU HB2 H 1 2.386 0.006 . 1 . . . A 78 LEU HB2 . 18715 1 854 . 1 1 77 77 LEU HB3 H 1 1.710 0.000 . 1 . . . A 78 LEU HB3 . 18715 1 855 . 1 1 77 77 LEU HG H 1 1.563 0.001 . 1 . . . A 78 LEU HG . 18715 1 856 . 1 1 77 77 LEU HD11 H 1 0.848 0.006 . 1 . . . A 78 LEU HD11 . 18715 1 857 . 1 1 77 77 LEU HD12 H 1 0.848 0.006 . 1 . . . A 78 LEU HD12 . 18715 1 858 . 1 1 77 77 LEU HD13 H 1 0.848 0.006 . 1 . . . A 78 LEU HD13 . 18715 1 859 . 1 1 77 77 LEU HD21 H 1 0.826 0.001 . 1 . . . A 78 LEU HD21 . 18715 1 860 . 1 1 77 77 LEU HD22 H 1 0.826 0.001 . 1 . . . A 78 LEU HD22 . 18715 1 861 . 1 1 77 77 LEU HD23 H 1 0.826 0.001 . 1 . . . A 78 LEU HD23 . 18715 1 862 . 1 1 77 77 LEU CA C 13 58.962 0.068 . 1 . . . A 78 LEU CA . 18715 1 863 . 1 1 77 77 LEU CB C 13 42.043 0.043 . 1 . . . A 78 LEU CB . 18715 1 864 . 1 1 77 77 LEU CG C 13 27.305 0.096 . 1 . . . A 78 LEU CG . 18715 1 865 . 1 1 77 77 LEU CD1 C 13 24.102 0.085 . 1 . . . A 78 LEU CD1 . 18715 1 866 . 1 1 77 77 LEU CD2 C 13 26.272 0.018 . 1 . . . A 78 LEU CD2 . 18715 1 867 . 1 1 77 77 LEU N N 15 125.790 0.000 . 1 . . . A 78 LEU N . 18715 1 868 . 1 1 78 78 TYR H H 1 8.694 0.000 . 1 . . . A 79 TYR H . 18715 1 869 . 1 1 78 78 TYR HA H 1 3.661 0.000 . 1 . . . A 79 TYR HA . 18715 1 870 . 1 1 78 78 TYR HB2 H 1 3.311 0.000 . 1 . . . A 79 TYR HB2 . 18715 1 871 . 1 1 78 78 TYR HB3 H 1 2.791 0.000 . 1 . . . A 79 TYR HB3 . 18715 1 872 . 1 1 78 78 TYR HD1 H 1 7.049 0.000 . 1 . . . A 79 TYR HD1 . 18715 1 873 . 1 1 78 78 TYR HD2 H 1 7.049 0.000 . 1 . . . A 79 TYR HD2 . 18715 1 874 . 1 1 78 78 TYR HE1 H 1 6.858 0.000 . 1 . . . A 79 TYR HE1 . 18715 1 875 . 1 1 78 78 TYR HE2 H 1 6.858 0.000 . 1 . . . A 79 TYR HE2 . 18715 1 876 . 1 1 78 78 TYR CA C 13 62.802 0.000 . 1 . . . A 79 TYR CA . 18715 1 877 . 1 1 78 78 TYR CB C 13 39.194 0.000 . 1 . . . A 79 TYR CB . 18715 1 878 . 1 1 78 78 TYR CD1 C 13 133.569 0.000 . 1 . . . A 79 TYR CD1 . 18715 1 879 . 1 1 78 78 TYR CD2 C 13 133.569 0.000 . 1 . . . A 79 TYR CD2 . 18715 1 880 . 1 1 78 78 TYR CE1 C 13 118.606 0.000 . 1 . . . A 79 TYR CE1 . 18715 1 881 . 1 1 78 78 TYR CE2 C 13 118.606 0.000 . 1 . . . A 79 TYR CE2 . 18715 1 882 . 1 1 78 78 TYR N N 15 119.852 0.000 . 1 . . . A 79 TYR N . 18715 1 883 . 1 1 79 79 ASN H H 1 8.871 0.000 . 1 . . . A 80 ASN H . 18715 1 884 . 1 1 79 79 ASN HA H 1 4.284 0.000 . 1 . . . A 80 ASN HA . 18715 1 885 . 1 1 79 79 ASN HB2 H 1 3.211 0.000 . 1 . . . A 80 ASN HB2 . 18715 1 886 . 1 1 79 79 ASN HB3 H 1 2.728 0.000 . 1 . . . A 80 ASN HB3 . 18715 1 887 . 1 1 79 79 ASN HD21 H 1 6.409 0.000 . 1 . . . A 80 ASN HD21 . 18715 1 888 . 1 1 79 79 ASN HD22 H 1 7.485 0.000 . 1 . . . A 80 ASN HD22 . 18715 1 889 . 1 1 79 79 ASN CA C 13 55.787 0.000 . 1 . . . A 80 ASN CA . 18715 1 890 . 1 1 79 79 ASN CB C 13 37.839 0.000 . 1 . . . A 80 ASN CB . 18715 1 891 . 1 1 79 79 ASN N N 15 117.040 0.000 . 1 . . . A 80 ASN N . 18715 1 892 . 1 1 79 79 ASN ND2 N 15 104.540 0.000 . 1 . . . A 80 ASN ND2 . 18715 1 893 . 1 1 80 80 THR H H 1 8.119 0.000 . 1 . . . A 81 THR H . 18715 1 894 . 1 1 80 80 THR HA H 1 3.945 0.000 . 1 . . . A 81 THR HA . 18715 1 895 . 1 1 80 80 THR HB H 1 4.725 0.000 . 1 . . . A 81 THR HB . 18715 1 896 . 1 1 80 80 THR HG21 H 1 1.593 0.000 . 1 . . . A 81 THR HG21 . 18715 1 897 . 1 1 80 80 THR HG22 H 1 1.593 0.000 . 1 . . . A 81 THR HG22 . 18715 1 898 . 1 1 80 80 THR HG23 H 1 1.593 0.000 . 1 . . . A 81 THR HG23 . 18715 1 899 . 1 1 80 80 THR CA C 13 67.855 0.000 . 1 . . . A 81 THR CA . 18715 1 900 . 1 1 80 80 THR CB C 13 69.140 0.000 . 1 . . . A 81 THR CB . 18715 1 901 . 1 1 80 80 THR CG2 C 13 21.134 0.000 . 1 . . . A 81 THR CG2 . 18715 1 902 . 1 1 80 80 THR N N 15 115.790 0.000 . 1 . . . A 81 THR N . 18715 1 903 . 1 1 81 81 ILE H H 1 8.090 0.000 . 1 . . . A 82 ILE H . 18715 1 904 . 1 1 81 81 ILE HA H 1 3.668 0.000 . 1 . . . A 82 ILE HA . 18715 1 905 . 1 1 81 81 ILE HB H 1 1.842 0.000 . 1 . . . A 82 ILE HB . 18715 1 906 . 1 1 81 81 ILE HG12 H 1 1.175 0.000 . 1 . . . A 82 ILE HG12 . 18715 1 907 . 1 1 81 81 ILE HG13 H 1 1.792 0.000 . 1 . . . A 82 ILE HG13 . 18715 1 908 . 1 1 81 81 ILE HG21 H 1 0.875 0.029 . 1 . . . A 82 ILE HG21 . 18715 1 909 . 1 1 81 81 ILE HG22 H 1 0.875 0.029 . 1 . . . A 82 ILE HG22 . 18715 1 910 . 1 1 81 81 ILE HG23 H 1 0.875 0.029 . 1 . . . A 82 ILE HG23 . 18715 1 911 . 1 1 81 81 ILE HD11 H 1 0.801 0.002 . 1 . . . A 82 ILE HD11 . 18715 1 912 . 1 1 81 81 ILE HD12 H 1 0.801 0.002 . 1 . . . A 82 ILE HD12 . 18715 1 913 . 1 1 81 81 ILE HD13 H 1 0.801 0.002 . 1 . . . A 82 ILE HD13 . 18715 1 914 . 1 1 81 81 ILE CA C 13 64.520 0.044 . 1 . . . A 82 ILE CA . 18715 1 915 . 1 1 81 81 ILE CB C 13 36.486 0.000 . 1 . . . A 82 ILE CB . 18715 1 916 . 1 1 81 81 ILE CG1 C 13 28.885 0.044 . 1 . . . A 82 ILE CG1 . 18715 1 917 . 1 1 81 81 ILE CG2 C 13 17.978 0.129 . 1 . . . A 82 ILE CG2 . 18715 1 918 . 1 1 81 81 ILE CD1 C 13 13.903 0.032 . 1 . . . A 82 ILE CD1 . 18715 1 919 . 1 1 81 81 ILE N N 15 121.102 0.000 . 1 . . . A 82 ILE N . 18715 1 920 . 1 1 82 82 ALA H H 1 8.782 0.000 . 1 . . . A 83 ALA H . 18715 1 921 . 1 1 82 82 ALA HA H 1 3.891 0.000 . 1 . . . A 83 ALA HA . 18715 1 922 . 1 1 82 82 ALA HB1 H 1 1.349 0.041 . 1 . . . A 83 ALA HB1 . 18715 1 923 . 1 1 82 82 ALA HB2 H 1 1.349 0.041 . 1 . . . A 83 ALA HB2 . 18715 1 924 . 1 1 82 82 ALA HB3 H 1 1.349 0.041 . 1 . . . A 83 ALA HB3 . 18715 1 925 . 1 1 82 82 ALA CA C 13 55.855 0.000 . 1 . . . A 83 ALA CA . 18715 1 926 . 1 1 82 82 ALA CB C 13 17.848 0.009 . 1 . . . A 83 ALA CB . 18715 1 927 . 1 1 82 82 ALA N N 15 125.165 0.000 . 1 . . . A 83 ALA N . 18715 1 928 . 1 1 83 83 VAL H H 1 7.795 0.000 . 1 . . . A 84 VAL H . 18715 1 929 . 1 1 83 83 VAL HA H 1 3.328 0.000 . 1 . . . A 84 VAL HA . 18715 1 930 . 1 1 83 83 VAL HB H 1 1.946 0.000 . 1 . . . A 84 VAL HB . 18715 1 931 . 1 1 83 83 VAL HG11 H 1 0.420 0.002 . 1 . . . A 84 VAL HG11 . 18715 1 932 . 1 1 83 83 VAL HG12 H 1 0.420 0.002 . 1 . . . A 84 VAL HG12 . 18715 1 933 . 1 1 83 83 VAL HG13 H 1 0.420 0.002 . 1 . . . A 84 VAL HG13 . 18715 1 934 . 1 1 83 83 VAL HG21 H 1 0.993 0.001 . 1 . . . A 84 VAL HG21 . 18715 1 935 . 1 1 83 83 VAL HG22 H 1 0.993 0.001 . 1 . . . A 84 VAL HG22 . 18715 1 936 . 1 1 83 83 VAL HG23 H 1 0.993 0.001 . 1 . . . A 84 VAL HG23 . 18715 1 937 . 1 1 83 83 VAL CA C 13 67.465 0.019 . 1 . . . A 84 VAL CA . 18715 1 938 . 1 1 83 83 VAL CB C 13 30.695 0.009 . 1 . . . A 84 VAL CB . 18715 1 939 . 1 1 83 83 VAL CG1 C 13 24.990 0.021 . 1 . . . A 84 VAL CG1 . 18715 1 940 . 1 1 83 83 VAL CG2 C 13 23.426 0.004 . 1 . . . A 84 VAL CG2 . 18715 1 941 . 1 1 83 83 VAL N N 15 117.665 0.000 . 1 . . . A 84 VAL N . 18715 1 942 . 1 1 84 84 LEU H H 1 8.163 0.000 . 1 . . . A 85 LEU H . 18715 1 943 . 1 1 84 84 LEU HA H 1 3.815 0.000 . 1 . . . A 85 LEU HA . 18715 1 944 . 1 1 84 84 LEU HB2 H 1 1.881 0.001 . 1 . . . A 85 LEU HB2 . 18715 1 945 . 1 1 84 84 LEU HB3 H 1 1.753 0.000 . 1 . . . A 85 LEU HB3 . 18715 1 946 . 1 1 84 84 LEU HG H 1 1.393 0.000 . 1 . . . A 85 LEU HG . 18715 1 947 . 1 1 84 84 LEU HD11 H 1 0.510 0.002 . 1 . . . A 85 LEU HD11 . 18715 1 948 . 1 1 84 84 LEU HD12 H 1 0.510 0.002 . 1 . . . A 85 LEU HD12 . 18715 1 949 . 1 1 84 84 LEU HD13 H 1 0.510 0.002 . 1 . . . A 85 LEU HD13 . 18715 1 950 . 1 1 84 84 LEU HD21 H 1 0.203 0.003 . 1 . . . A 85 LEU HD21 . 18715 1 951 . 1 1 84 84 LEU HD22 H 1 0.203 0.003 . 1 . . . A 85 LEU HD22 . 18715 1 952 . 1 1 84 84 LEU HD23 H 1 0.203 0.003 . 1 . . . A 85 LEU HD23 . 18715 1 953 . 1 1 84 84 LEU CA C 13 58.310 0.022 . 1 . . . A 85 LEU CA . 18715 1 954 . 1 1 84 84 LEU CB C 13 42.148 0.035 . 1 . . . A 85 LEU CB . 18715 1 955 . 1 1 84 84 LEU CG C 13 26.528 0.000 . 1 . . . A 85 LEU CG . 18715 1 956 . 1 1 84 84 LEU CD1 C 13 26.950 0.054 . 1 . . . A 85 LEU CD1 . 18715 1 957 . 1 1 84 84 LEU CD2 C 13 23.883 0.087 . 1 . . . A 85 LEU CD2 . 18715 1 958 . 1 1 84 84 LEU N N 15 122.040 0.000 . 1 . . . A 85 LEU N . 18715 1 959 . 1 1 85 85 TYR H H 1 9.062 0.000 . 1 . . . A 86 TYR H . 18715 1 960 . 1 1 85 85 TYR HA H 1 3.912 0.000 . 1 . . . A 86 TYR HA . 18715 1 961 . 1 1 85 85 TYR HB2 H 1 3.448 0.000 . 1 . . . A 86 TYR HB2 . 18715 1 962 . 1 1 85 85 TYR HB3 H 1 2.861 0.000 . 1 . . . A 86 TYR HB3 . 18715 1 963 . 1 1 85 85 TYR HD1 H 1 7.198 0.000 . 1 . . . A 86 TYR HD1 . 18715 1 964 . 1 1 85 85 TYR HD2 H 1 7.198 0.000 . 1 . . . A 86 TYR HD2 . 18715 1 965 . 1 1 85 85 TYR HE1 H 1 6.620 0.000 . 1 . . . A 86 TYR HE1 . 18715 1 966 . 1 1 85 85 TYR HE2 H 1 6.620 0.000 . 1 . . . A 86 TYR HE2 . 18715 1 967 . 1 1 85 85 TYR CA C 13 62.818 0.000 . 1 . . . A 86 TYR CA . 18715 1 968 . 1 1 85 85 TYR CB C 13 38.287 0.000 . 1 . . . A 86 TYR CB . 18715 1 969 . 1 1 85 85 TYR CD1 C 13 133.327 0.000 . 1 . . . A 86 TYR CD1 . 18715 1 970 . 1 1 85 85 TYR CD2 C 13 133.327 0.000 . 1 . . . A 86 TYR CD2 . 18715 1 971 . 1 1 85 85 TYR CE1 C 13 118.231 0.000 . 1 . . . A 86 TYR CE1 . 18715 1 972 . 1 1 85 85 TYR CE2 C 13 118.231 0.000 . 1 . . . A 86 TYR CE2 . 18715 1 973 . 1 1 85 85 TYR N N 15 118.915 0.000 . 1 . . . A 86 TYR N . 18715 1 974 . 1 1 86 86 CYS H H 1 7.515 0.000 . 1 . . . A 87 CYS H . 18715 1 975 . 1 1 86 86 CYS HA H 1 3.794 0.000 . 1 . . . A 87 CYS HA . 18715 1 976 . 1 1 86 86 CYS HB2 H 1 3.324 0.000 . 1 . . . A 87 CYS HB2 . 18715 1 977 . 1 1 86 86 CYS HB3 H 1 2.868 0.000 . 1 . . . A 87 CYS HB3 . 18715 1 978 . 1 1 86 86 CYS CA C 13 65.966 0.000 . 1 . . . A 87 CYS CA . 18715 1 979 . 1 1 86 86 CYS CB C 13 46.557 0.000 . 1 . . . A 87 CYS CB . 18715 1 980 . 1 1 86 86 CYS N N 15 116.102 0.000 . 1 . . . A 87 CYS N . 18715 1 981 . 1 1 87 87 VAL H H 1 8.448 0.000 . 1 . . . A 88 VAL H . 18715 1 982 . 1 1 87 87 VAL HA H 1 3.878 0.000 . 1 . . . A 88 VAL HA . 18715 1 983 . 1 1 87 87 VAL HB H 1 2.116 0.000 . 1 . . . A 88 VAL HB . 18715 1 984 . 1 1 87 87 VAL HG11 H 1 0.969 0.001 . 1 . . . A 88 VAL HG11 . 18715 1 985 . 1 1 87 87 VAL HG12 H 1 0.969 0.001 . 1 . . . A 88 VAL HG12 . 18715 1 986 . 1 1 87 87 VAL HG13 H 1 0.969 0.001 . 1 . . . A 88 VAL HG13 . 18715 1 987 . 1 1 87 87 VAL HG21 H 1 1.167 0.000 . 1 . . . A 88 VAL HG21 . 18715 1 988 . 1 1 87 87 VAL HG22 H 1 1.167 0.000 . 1 . . . A 88 VAL HG22 . 18715 1 989 . 1 1 87 87 VAL HG23 H 1 1.167 0.000 . 1 . . . A 88 VAL HG23 . 18715 1 990 . 1 1 87 87 VAL CA C 13 66.446 0.004 . 1 . . . A 88 VAL CA . 18715 1 991 . 1 1 87 87 VAL CB C 13 31.496 0.001 . 1 . . . A 88 VAL CB . 18715 1 992 . 1 1 87 87 VAL CG1 C 13 24.066 0.021 . 1 . . . A 88 VAL CG1 . 18715 1 993 . 1 1 87 87 VAL CG2 C 13 21.776 0.018 . 1 . . . A 88 VAL CG2 . 18715 1 994 . 1 1 87 87 VAL N N 15 119.978 0.000 . 1 . . . A 88 VAL N . 18715 1 995 . 1 1 88 88 HIS H H 1 8.797 0.000 . 1 . . . A 89 HIS H . 18715 1 996 . 1 1 88 88 HIS HA H 1 4.875 0.000 . 1 . . . A 89 HIS HA . 18715 1 997 . 1 1 88 88 HIS HB2 H 1 3.240 0.000 . 1 . . . A 89 HIS HB2 . 18715 1 998 . 1 1 88 88 HIS HB3 H 1 3.240 0.000 . 1 . . . A 89 HIS HB3 . 18715 1 999 . 1 1 88 88 HIS HD2 H 1 6.891 0.000 . 1 . . . A 89 HIS HD2 . 18715 1 1000 . 1 1 88 88 HIS HE1 H 1 8.946 0.000 . 1 . . . A 89 HIS HE1 . 18715 1 1001 . 1 1 88 88 HIS CA C 13 57.120 0.000 . 1 . . . A 89 HIS CA . 18715 1 1002 . 1 1 88 88 HIS CB C 13 29.083 0.000 . 1 . . . A 89 HIS CB . 18715 1 1003 . 1 1 88 88 HIS CD2 C 13 118.455 0.000 . 1 . . . A 89 HIS CD2 . 18715 1 1004 . 1 1 88 88 HIS N N 15 118.915 0.000 . 1 . . . A 89 HIS N . 18715 1 1005 . 1 1 89 89 GLN H H 1 7.986 0.000 . 1 . . . A 90 GLN H . 18715 1 1006 . 1 1 89 89 GLN HA H 1 4.385 0.000 . 1 . . . A 90 GLN HA . 18715 1 1007 . 1 1 89 89 GLN HB2 H 1 1.901 0.000 . 1 . . . A 90 GLN HB2 . 18715 1 1008 . 1 1 89 89 GLN HB3 H 1 1.667 0.000 . 1 . . . A 90 GLN HB3 . 18715 1 1009 . 1 1 89 89 GLN HG2 H 1 1.817 0.000 . 1 . . . A 90 GLN HG2 . 18715 1 1010 . 1 1 89 89 GLN HG3 H 1 1.817 0.000 . 1 . . . A 90 GLN HG3 . 18715 1 1011 . 1 1 89 89 GLN CA C 13 55.289 0.000 . 1 . . . A 90 GLN CA . 18715 1 1012 . 1 1 89 89 GLN CB C 13 30.952 0.000 . 1 . . . A 90 GLN CB . 18715 1 1013 . 1 1 89 89 GLN CG C 13 33.398 0.000 . 1 . . . A 90 GLN CG . 18715 1 1014 . 1 1 89 89 GLN N N 15 116.728 0.000 . 1 . . . A 90 GLN N . 18715 1 1015 . 1 1 90 90 ARG H H 1 7.883 0.000 . 1 . . . A 91 ARG H . 18715 1 1016 . 1 1 90 90 ARG HA H 1 4.013 0.000 . 1 . . . A 91 ARG HA . 18715 1 1017 . 1 1 90 90 ARG HB2 H 1 2.129 0.000 . 1 . . . A 91 ARG HB2 . 18715 1 1018 . 1 1 90 90 ARG HB3 H 1 1.920 0.000 . 1 . . . A 91 ARG HB3 . 18715 1 1019 . 1 1 90 90 ARG HG2 H 1 1.562 0.000 . 1 . . . A 91 ARG HG2 . 18715 1 1020 . 1 1 90 90 ARG HG3 H 1 1.562 0.000 . 1 . . . A 91 ARG HG3 . 18715 1 1021 . 1 1 90 90 ARG HD2 H 1 3.201 0.000 . 1 . . . A 91 ARG HD2 . 18715 1 1022 . 1 1 90 90 ARG HD3 H 1 3.201 0.000 . 1 . . . A 91 ARG HD3 . 18715 1 1023 . 1 1 90 90 ARG CA C 13 57.183 0.000 . 1 . . . A 91 ARG CA . 18715 1 1024 . 1 1 90 90 ARG CB C 13 26.049 0.000 . 1 . . . A 91 ARG CB . 18715 1 1025 . 1 1 90 90 ARG CG C 13 27.681 0.000 . 1 . . . A 91 ARG CG . 18715 1 1026 . 1 1 90 90 ARG CD C 13 43.435 0.000 . 1 . . . A 91 ARG CD . 18715 1 1027 . 1 1 90 90 ARG N N 15 115.165 0.000 . 1 . . . A 91 ARG N . 18715 1 1028 . 1 1 91 91 ILE H H 1 8.335 0.000 . 1 . . . A 92 ILE H . 18715 1 1029 . 1 1 91 91 ILE HA H 1 3.985 0.000 . 1 . . . A 92 ILE HA . 18715 1 1030 . 1 1 91 91 ILE HB H 1 1.544 0.000 . 1 . . . A 92 ILE HB . 18715 1 1031 . 1 1 91 91 ILE HG12 H 1 1.503 0.000 . 1 . . . A 92 ILE HG12 . 18715 1 1032 . 1 1 91 91 ILE HG13 H 1 0.961 0.000 . 1 . . . A 92 ILE HG13 . 18715 1 1033 . 1 1 91 91 ILE HG21 H 1 0.854 0.018 . 1 . . . A 92 ILE HG21 . 18715 1 1034 . 1 1 91 91 ILE HG22 H 1 0.854 0.018 . 1 . . . A 92 ILE HG22 . 18715 1 1035 . 1 1 91 91 ILE HG23 H 1 0.854 0.018 . 1 . . . A 92 ILE HG23 . 18715 1 1036 . 1 1 91 91 ILE HD11 H 1 0.899 0.001 . 1 . . . A 92 ILE HD11 . 18715 1 1037 . 1 1 91 91 ILE HD12 H 1 0.899 0.001 . 1 . . . A 92 ILE HD12 . 18715 1 1038 . 1 1 91 91 ILE HD13 H 1 0.899 0.001 . 1 . . . A 92 ILE HD13 . 18715 1 1039 . 1 1 91 91 ILE CA C 13 60.656 0.016 . 1 . . . A 92 ILE CA . 18715 1 1040 . 1 1 91 91 ILE CB C 13 38.930 0.002 . 1 . . . A 92 ILE CB . 18715 1 1041 . 1 1 91 91 ILE CG1 C 13 27.141 0.014 . 1 . . . A 92 ILE CG1 . 18715 1 1042 . 1 1 91 91 ILE CG2 C 13 17.744 0.062 . 1 . . . A 92 ILE CG2 . 18715 1 1043 . 1 1 91 91 ILE CD1 C 13 13.491 0.063 . 1 . . . A 92 ILE CD1 . 18715 1 1044 . 1 1 91 91 ILE N N 15 120.087 0.000 . 1 . . . A 92 ILE N . 18715 1 1045 . 1 1 92 92 ASP H H 1 8.620 0.000 . 1 . . . A 93 ASP H . 18715 1 1046 . 1 1 92 92 ASP HA H 1 4.485 0.000 . 1 . . . A 93 ASP HA . 18715 1 1047 . 1 1 92 92 ASP HB2 H 1 2.653 0.000 . 1 . . . A 93 ASP HB2 . 18715 1 1048 . 1 1 92 92 ASP HB3 H 1 2.535 0.000 . 1 . . . A 93 ASP HB3 . 18715 1 1049 . 1 1 92 92 ASP CA C 13 55.043 0.000 . 1 . . . A 93 ASP CA . 18715 1 1050 . 1 1 92 92 ASP CB C 13 40.396 0.000 . 1 . . . A 93 ASP CB . 18715 1 1051 . 1 1 92 92 ASP N N 15 129.228 0.000 . 1 . . . A 93 ASP N . 18715 1 1052 . 1 1 93 93 VAL H H 1 7.751 0.000 . 1 . . . A 94 VAL H . 18715 1 1053 . 1 1 93 93 VAL HA H 1 4.633 0.000 . 1 . . . A 94 VAL HA . 18715 1 1054 . 1 1 93 93 VAL HB H 1 2.147 0.000 . 1 . . . A 94 VAL HB . 18715 1 1055 . 1 1 93 93 VAL HG11 H 1 0.842 0.000 . 1 . . . A 94 VAL HG11 . 18715 1 1056 . 1 1 93 93 VAL HG12 H 1 0.842 0.000 . 1 . . . A 94 VAL HG12 . 18715 1 1057 . 1 1 93 93 VAL HG13 H 1 0.842 0.000 . 1 . . . A 94 VAL HG13 . 18715 1 1058 . 1 1 93 93 VAL HG21 H 1 0.916 0.000 . 1 . . . A 94 VAL HG21 . 18715 1 1059 . 1 1 93 93 VAL HG22 H 1 0.916 0.000 . 1 . . . A 94 VAL HG22 . 18715 1 1060 . 1 1 93 93 VAL HG23 H 1 0.916 0.000 . 1 . . . A 94 VAL HG23 . 18715 1 1061 . 1 1 93 93 VAL CA C 13 59.120 0.000 . 1 . . . A 94 VAL CA . 18715 1 1062 . 1 1 93 93 VAL CB C 13 35.512 0.000 . 1 . . . A 94 VAL CB . 18715 1 1063 . 1 1 93 93 VAL CG1 C 13 17.92 0.000 . 1 . . . A 94 VAL CG1 . 18715 1 1064 . 1 1 93 93 VAL CG2 C 13 23.416 0.000 . 1 . . . A 94 VAL CG2 . 18715 1 1065 . 1 1 93 93 VAL N N 15 115.790 0.000 . 1 . . . A 94 VAL N . 18715 1 1066 . 1 1 94 94 LYS H H 1 9.239 0.000 . 1 . . . A 95 LYS H . 18715 1 1067 . 1 1 94 94 LYS HA H 1 4.393 0.000 . 1 . . . A 95 LYS HA . 18715 1 1068 . 1 1 94 94 LYS HB2 H 1 1.834 0.000 . 1 . . . A 95 LYS HB2 . 18715 1 1069 . 1 1 94 94 LYS HB3 H 1 1.788 0.000 . 1 . . . A 95 LYS HB3 . 18715 1 1070 . 1 1 94 94 LYS HG2 H 1 1.558 0.000 . 1 . . . A 95 LYS HG2 . 18715 1 1071 . 1 1 94 94 LYS HG3 H 1 1.558 0.000 . 1 . . . A 95 LYS HG3 . 18715 1 1072 . 1 1 94 94 LYS HD2 H 1 2.128 0.000 . 1 . . . A 95 LYS HD2 . 18715 1 1073 . 1 1 94 94 LYS HD3 H 1 2.128 0.000 . 1 . . . A 95 LYS HD3 . 18715 1 1074 . 1 1 94 94 LYS HE2 H 1 2.989 0.000 . 1 . . . A 95 LYS HE2 . 18715 1 1075 . 1 1 94 94 LYS HE3 H 1 2.989 0.000 . 1 . . . A 95 LYS HE3 . 18715 1 1076 . 1 1 94 94 LYS CA C 13 56.671 0.000 . 1 . . . A 95 LYS CA . 18715 1 1077 . 1 1 94 94 LYS CB C 13 34.008 0.000 . 1 . . . A 95 LYS CB . 18715 1 1078 . 1 1 94 94 LYS CG C 13 24.586 0.000 . 1 . . . A 95 LYS CG . 18715 1 1079 . 1 1 94 94 LYS CD C 13 30.297 0.000 . 1 . . . A 95 LYS CD . 18715 1 1080 . 1 1 94 94 LYS CE C 13 42.045 0.000 . 1 . . . A 95 LYS CE . 18715 1 1081 . 1 1 94 94 LYS N N 15 118.915 0.000 . 1 . . . A 95 LYS N . 18715 1 1082 . 1 1 95 95 ASP H H 1 7.412 0.000 . 1 . . . A 96 ASP H . 18715 1 1083 . 1 1 95 95 ASP HA H 1 5.562 0.000 . 1 . . . A 96 ASP HA . 18715 1 1084 . 1 1 95 95 ASP HB2 H 1 2.609 0.000 . 1 . . . A 96 ASP HB2 . 18715 1 1085 . 1 1 95 95 ASP HB3 H 1 2.089 0.000 . 1 . . . A 96 ASP HB3 . 18715 1 1086 . 1 1 95 95 ASP CA C 13 52.829 0.000 . 1 . . . A 96 ASP CA . 18715 1 1087 . 1 1 95 95 ASP CB C 13 44.604 0.000 . 1 . . . A 96 ASP CB . 18715 1 1088 . 1 1 95 95 ASP N N 15 112.040 0.000 . 1 . . . A 96 ASP N . 18715 1 1089 . 1 1 96 96 THR H H 1 7.250 0.000 . 1 . . . A 97 THR H . 18715 1 1090 . 1 1 96 96 THR HA H 1 3.661 0.000 . 1 . . . A 97 THR HA . 18715 1 1091 . 1 1 96 96 THR HB H 1 4.023 0.000 . 1 . . . A 97 THR HB . 18715 1 1092 . 1 1 96 96 THR HG21 H 1 1.314 0.000 . 1 . . . A 97 THR HG21 . 18715 1 1093 . 1 1 96 96 THR HG22 H 1 1.314 0.000 . 1 . . . A 97 THR HG22 . 18715 1 1094 . 1 1 96 96 THR HG23 H 1 1.314 0.000 . 1 . . . A 97 THR HG23 . 18715 1 1095 . 1 1 96 96 THR CA C 13 65.947 0.000 . 1 . . . A 97 THR CA . 18715 1 1096 . 1 1 96 96 THR CB C 13 70.285 0.000 . 1 . . . A 97 THR CB . 18715 1 1097 . 1 1 96 96 THR CG2 C 13 22.771 0.000 . 1 . . . A 97 THR CG2 . 18715 1 1098 . 1 1 96 96 THR N N 15 109.540 0.000 . 1 . . . A 97 THR N . 18715 1 1099 . 1 1 97 97 LYS H H 1 7.868 0.000 . 1 . . . A 98 LYS H . 18715 1 1100 . 1 1 97 97 LYS HA H 1 3.945 0.000 . 1 . . . A 98 LYS HA . 18715 1 1101 . 1 1 97 97 LYS HB2 H 1 2.112 0.000 . 1 . . . A 98 LYS HB2 . 18715 1 1102 . 1 1 97 97 LYS HB3 H 1 1.781 0.000 . 1 . . . A 98 LYS HB3 . 18715 1 1103 . 1 1 97 97 LYS HG2 H 1 1.444 0.000 . 1 . . . A 98 LYS HG2 . 18715 1 1104 . 1 1 97 97 LYS HG3 H 1 1.444 0.000 . 1 . . . A 98 LYS HG3 . 18715 1 1105 . 1 1 97 97 LYS HD2 H 1 2.026 0.000 . 1 . . . A 98 LYS HD2 . 18715 1 1106 . 1 1 97 97 LYS HD3 H 1 2.026 0.000 . 1 . . . A 98 LYS HD3 . 18715 1 1107 . 1 1 97 97 LYS HE2 H 1 3.229 0.000 . 1 . . . A 98 LYS HE2 . 18715 1 1108 . 1 1 97 97 LYS HE3 H 1 3.229 0.000 . 1 . . . A 98 LYS HE3 . 18715 1 1109 . 1 1 97 97 LYS CA C 13 59.628 0.000 . 1 . . . A 98 LYS CA . 18715 1 1110 . 1 1 97 97 LYS CB C 13 31.927 0.000 . 1 . . . A 98 LYS CB . 18715 1 1111 . 1 1 97 97 LYS CG C 13 24.990 0.000 . 1 . . . A 98 LYS CG . 18715 1 1112 . 1 1 97 97 LYS CD C 13 27.954 0.000 . 1 . . . A 98 LYS CD . 18715 1 1113 . 1 1 97 97 LYS CE C 13 43.076 0.000 . 1 . . . A 98 LYS CE . 18715 1 1114 . 1 1 97 97 LYS N N 15 121.102 0.000 . 1 . . . A 98 LYS N . 18715 1 1115 . 1 1 98 98 GLU H H 1 8.384 0.000 . 1 . . . A 99 GLU H . 18715 1 1116 . 1 1 98 98 GLU HA H 1 4.077 0.000 . 1 . . . A 99 GLU HA . 18715 1 1117 . 1 1 98 98 GLU HB2 H 1 2.129 0.000 . 1 . . . A 99 GLU HB2 . 18715 1 1118 . 1 1 98 98 GLU HB3 H 1 2.129 0.000 . 1 . . . A 99 GLU HB3 . 18715 1 1119 . 1 1 98 98 GLU HG2 H 1 2.547 0.000 . 1 . . . A 99 GLU HG2 . 18715 1 1120 . 1 1 98 98 GLU HG3 H 1 2.253 0.000 . 1 . . . A 99 GLU HG3 . 18715 1 1121 . 1 1 98 98 GLU CA C 13 59.795 0.000 . 1 . . . A 99 GLU CA . 18715 1 1122 . 1 1 98 98 GLU CB C 13 30.246 0.000 . 1 . . . A 99 GLU CB . 18715 1 1123 . 1 1 98 98 GLU CG C 13 37.198 0.000 . 1 . . . A 99 GLU CG . 18715 1 1124 . 1 1 98 98 GLU N N 15 119.228 0.000 . 1 . . . A 99 GLU N . 18715 1 1125 . 1 1 99 99 ALA H H 1 7.382 0.000 . 1 . . . A 100 ALA H . 18715 1 1126 . 1 1 99 99 ALA HA H 1 4.386 0.000 . 1 . . . A 100 ALA HA . 18715 1 1127 . 1 1 99 99 ALA HB1 H 1 1.519 0.000 . 1 . . . A 100 ALA HB1 . 18715 1 1128 . 1 1 99 99 ALA HB2 H 1 1.519 0.000 . 1 . . . A 100 ALA HB2 . 18715 1 1129 . 1 1 99 99 ALA HB3 H 1 1.519 0.000 . 1 . . . A 100 ALA HB3 . 18715 1 1130 . 1 1 99 99 ALA CA C 13 55.396 0.000 . 1 . . . A 100 ALA CA . 18715 1 1131 . 1 1 99 99 ALA CB C 13 19.759 0.000 . 1 . . . A 100 ALA CB . 18715 1 1132 . 1 1 99 99 ALA N N 15 118.915 0.000 . 1 . . . A 100 ALA N . 18715 1 1133 . 1 1 100 100 LEU H H 1 8.119 0.000 . 1 . . . A 101 LEU H . 18715 1 1134 . 1 1 100 100 LEU HA H 1 4.020 0.000 . 1 . . . A 101 LEU HA . 18715 1 1135 . 1 1 100 100 LEU HB2 H 1 2.090 0.000 . 1 . . . A 101 LEU HB2 . 18715 1 1136 . 1 1 100 100 LEU HB3 H 1 1.567 0.000 . 1 . . . A 101 LEU HB3 . 18715 1 1137 . 1 1 100 100 LEU HG H 1 1.887 0.000 . 1 . . . A 101 LEU HG . 18715 1 1138 . 1 1 100 100 LEU HD11 H 1 0.940 0.000 . 1 . . . A 101 LEU HD11 . 18715 1 1139 . 1 1 100 100 LEU HD12 H 1 0.940 0.000 . 1 . . . A 101 LEU HD12 . 18715 1 1140 . 1 1 100 100 LEU HD13 H 1 0.940 0.000 . 1 . . . A 101 LEU HD13 . 18715 1 1141 . 1 1 100 100 LEU HD21 H 1 1.063 0.000 . 1 . . . A 101 LEU HD21 . 18715 1 1142 . 1 1 100 100 LEU HD22 H 1 1.063 0.000 . 1 . . . A 101 LEU HD22 . 18715 1 1143 . 1 1 100 100 LEU HD23 H 1 1.063 0.000 . 1 . . . A 101 LEU HD23 . 18715 1 1144 . 1 1 100 100 LEU CA C 13 57.975 0.000 . 1 . . . A 101 LEU CA . 18715 1 1145 . 1 1 100 100 LEU CB C 13 41.493 0.000 . 1 . . . A 101 LEU CB . 18715 1 1146 . 1 1 100 100 LEU CG C 13 27.207 0.000 . 1 . . . A 101 LEU CG . 18715 1 1147 . 1 1 100 100 LEU CD1 C 13 25.611 0.000 . 1 . . . A 101 LEU CD1 . 18715 1 1148 . 1 1 100 100 LEU CD2 C 13 22.225 0.000 . 1 . . . A 101 LEU CD2 . 18715 1 1149 . 1 1 100 100 LEU N N 15 117.978 0.000 . 1 . . . A 101 LEU N . 18715 1 1150 . 1 1 101 101 ASP H H 1 8.679 0.000 . 1 . . . A 102 ASP H . 18715 1 1151 . 1 1 101 101 ASP HA H 1 4.367 0.000 . 1 . . . A 102 ASP HA . 18715 1 1152 . 1 1 101 101 ASP HB2 H 1 2.826 0.000 . 1 . . . A 102 ASP HB2 . 18715 1 1153 . 1 1 101 101 ASP HB3 H 1 2.706 0.000 . 1 . . . A 102 ASP HB3 . 18715 1 1154 . 1 1 101 101 ASP CA C 13 57.352 0.000 . 1 . . . A 102 ASP CA . 18715 1 1155 . 1 1 101 101 ASP CB C 13 39.722 0.000 . 1 . . . A 102 ASP CB . 18715 1 1156 . 1 1 101 101 ASP N N 15 120.478 0.000 . 1 . . . A 102 ASP N . 18715 1 1157 . 1 1 102 102 LYS H H 1 8.207 0.000 . 1 . . . A 103 LYS H . 18715 1 1158 . 1 1 102 102 LYS HA H 1 4.164 0.000 . 1 . . . A 103 LYS HA . 18715 1 1159 . 1 1 102 102 LYS HB2 H 1 2.263 0.000 . 1 . . . A 103 LYS HB2 . 18715 1 1160 . 1 1 102 102 LYS HB3 H 1 1.894 0.000 . 1 . . . A 103 LYS HB3 . 18715 1 1161 . 1 1 102 102 LYS HG2 H 1 1.772 0.000 . 1 . . . A 103 LYS HG2 . 18715 1 1162 . 1 1 102 102 LYS HG3 H 1 1.772 0.000 . 1 . . . A 103 LYS HG3 . 18715 1 1163 . 1 1 102 102 LYS HD2 H 1 1.760 0.000 . 1 . . . A 103 LYS HD2 . 18715 1 1164 . 1 1 102 102 LYS HD3 H 1 1.760 0.000 . 1 . . . A 103 LYS HD3 . 18715 1 1165 . 1 1 102 102 LYS CA C 13 58.364 0.000 . 1 . . . A 103 LYS CA . 18715 1 1166 . 1 1 102 102 LYS CB C 13 31.532 0.000 . 1 . . . A 103 LYS CB . 18715 1 1167 . 1 1 102 102 LYS CG C 13 24.625 0.000 . 1 . . . A 103 LYS CG . 18715 1 1168 . 1 1 102 102 LYS CD C 13 27.950 0.000 . 1 . . . A 103 LYS CD . 18715 1 1169 . 1 1 102 102 LYS N N 15 120.165 0.000 . 1 . . . A 103 LYS N . 18715 1 1170 . 1 1 103 103 ILE H H 1 8.163 0.000 . 1 . . . A 104 ILE H . 18715 1 1171 . 1 1 103 103 ILE HA H 1 3.810 0.000 . 1 . . . A 104 ILE HA . 18715 1 1172 . 1 1 103 103 ILE HB H 1 1.987 0.000 . 1 . . . A 104 ILE HB . 18715 1 1173 . 1 1 103 103 ILE HG12 H 1 1.564 0.000 . 1 . . . A 104 ILE HG12 . 18715 1 1174 . 1 1 103 103 ILE HG13 H 1 1.362 0.000 . 1 . . . A 104 ILE HG13 . 18715 1 1175 . 1 1 103 103 ILE HG21 H 1 0.840 0.000 . 1 . . . A 104 ILE HG21 . 18715 1 1176 . 1 1 103 103 ILE HG22 H 1 0.840 0.000 . 1 . . . A 104 ILE HG22 . 18715 1 1177 . 1 1 103 103 ILE HG23 H 1 0.840 0.000 . 1 . . . A 104 ILE HG23 . 18715 1 1178 . 1 1 103 103 ILE HD11 H 1 0.719 0.000 . 1 . . . A 104 ILE HD11 . 18715 1 1179 . 1 1 103 103 ILE HD12 H 1 0.719 0.000 . 1 . . . A 104 ILE HD12 . 18715 1 1180 . 1 1 103 103 ILE HD13 H 1 0.719 0.000 . 1 . . . A 104 ILE HD13 . 18715 1 1181 . 1 1 103 103 ILE CA C 13 64.608 0.000 . 1 . . . A 104 ILE CA . 18715 1 1182 . 1 1 103 103 ILE CB C 13 37.434 0.000 . 1 . . . A 104 ILE CB . 18715 1 1183 . 1 1 103 103 ILE CG1 C 13 28.545 0.000 . 1 . . . A 104 ILE CG1 . 18715 1 1184 . 1 1 103 103 ILE CG2 C 13 17.860 0.000 . 1 . . . A 104 ILE CG2 . 18715 1 1185 . 1 1 103 103 ILE CD1 C 13 14.192 0.000 . 1 . . . A 104 ILE CD1 . 18715 1 1186 . 1 1 103 103 ILE N N 15 119.852 0.000 . 1 . . . A 104 ILE N . 18715 1 1187 . 1 1 104 104 GLU H H 1 8.001 0.000 . 1 . . . A 105 GLU H . 18715 1 1188 . 1 1 104 104 GLU HA H 1 4.035 0.000 . 1 . . . A 105 GLU HA . 18715 1 1189 . 1 1 104 104 GLU HB2 H 1 1.808 0.000 . 1 . . . A 105 GLU HB2 . 18715 1 1190 . 1 1 104 104 GLU HB3 H 1 1.808 0.000 . 1 . . . A 105 GLU HB3 . 18715 1 1191 . 1 1 104 104 GLU HG2 H 1 2.366 0.000 . 1 . . . A 105 GLU HG2 . 18715 1 1192 . 1 1 104 104 GLU HG3 H 1 2.366 0.000 . 1 . . . A 105 GLU HG3 . 18715 1 1193 . 1 1 104 104 GLU CA C 13 59.634 0.000 . 1 . . . A 105 GLU CA . 18715 1 1194 . 1 1 104 104 GLU CB C 13 32.756 0.000 . 1 . . . A 105 GLU CB . 18715 1 1195 . 1 1 104 104 GLU CG C 13 36.082 0.000 . 1 . . . A 105 GLU CG . 18715 1 1196 . 1 1 104 104 GLU N N 15 121.415 0.000 . 1 . . . A 105 GLU N . 18715 1 1197 . 1 1 105 105 GLU H H 1 8.031 0.000 . 1 . . . A 106 GLU H . 18715 1 1198 . 1 1 105 105 GLU HA H 1 4.090 0.000 . 1 . . . A 106 GLU HA . 18715 1 1199 . 1 1 105 105 GLU HB2 H 1 2.191 0.000 . 1 . . . A 106 GLU HB2 . 18715 1 1200 . 1 1 105 105 GLU HB3 H 1 2.191 0.000 . 1 . . . A 106 GLU HB3 . 18715 1 1201 . 1 1 105 105 GLU HG2 H 1 2.381 0.000 . 1 . . . A 106 GLU HG2 . 18715 1 1202 . 1 1 105 105 GLU HG3 H 1 2.381 0.000 . 1 . . . A 106 GLU HG3 . 18715 1 1203 . 1 1 105 105 GLU CA C 13 59.267 0.000 . 1 . . . A 106 GLU CA . 18715 1 1204 . 1 1 105 105 GLU CB C 13 29.597 0.000 . 1 . . . A 106 GLU CB . 18715 1 1205 . 1 1 105 105 GLU CG C 13 36.284 0.000 . 1 . . . A 106 GLU CG . 18715 1 1206 . 1 1 105 105 GLU N N 15 119.228 0.000 . 1 . . . A 106 GLU N . 18715 1 1207 . 1 1 106 106 GLU H H 1 8.016 0.000 . 1 . . . A 107 GLU H . 18715 1 1208 . 1 1 106 106 GLU HA H 1 4.073 0.000 . 1 . . . A 107 GLU HA . 18715 1 1209 . 1 1 106 106 GLU HB2 H 1 2.230 0.000 . 1 . . . A 107 GLU HB2 . 18715 1 1210 . 1 1 106 106 GLU HB3 H 1 2.185 0.000 . 1 . . . A 107 GLU HB3 . 18715 1 1211 . 1 1 106 106 GLU HG2 H 1 2.410 0.000 . 1 . . . A 107 GLU HG2 . 18715 1 1212 . 1 1 106 106 GLU HG3 H 1 2.288 0.000 . 1 . . . A 107 GLU HG3 . 18715 1 1213 . 1 1 106 106 GLU CA C 13 59.341 0.000 . 1 . . . A 107 GLU CA . 18715 1 1214 . 1 1 106 106 GLU CB C 13 29.870 0.000 . 1 . . . A 107 GLU CB . 18715 1 1215 . 1 1 106 106 GLU CG C 13 36.435 0.000 . 1 . . . A 107 GLU CG . 18715 1 1216 . 1 1 106 106 GLU N N 15 118.915 0.000 . 1 . . . A 107 GLU N . 18715 1 1217 . 1 1 107 107 GLN H H 1 8.252 0.000 . 1 . . . A 108 GLN H . 18715 1 1218 . 1 1 107 107 GLN HA H 1 4.147 0.000 . 1 . . . A 108 GLN HA . 18715 1 1219 . 1 1 107 107 GLN HB2 H 1 2.159 0.000 . 1 . . . A 108 GLN HB2 . 18715 1 1220 . 1 1 107 107 GLN HB3 H 1 2.159 0.000 . 1 . . . A 108 GLN HB3 . 18715 1 1221 . 1 1 107 107 GLN HG2 H 1 2.511 0.000 . 1 . . . A 108 GLN HG2 . 18715 1 1222 . 1 1 107 107 GLN HG3 H 1 2.516 0.000 . 1 . . . A 108 GLN HG3 . 18715 1 1223 . 1 1 107 107 GLN CA C 13 58.407 0.000 . 1 . . . A 108 GLN CA . 18715 1 1224 . 1 1 107 107 GLN CB C 13 28.845 0.000 . 1 . . . A 108 GLN CB . 18715 1 1225 . 1 1 107 107 GLN CG C 13 34.085 0.000 . 1 . . . A 108 GLN CG . 18715 1 1226 . 1 1 107 107 GLN N N 15 118.290 0.000 . 1 . . . A 108 GLN N . 18715 1 1227 . 1 1 108 108 ASN H H 1 8.252 0.000 . 1 . . . A 109 ASN H . 18715 1 1228 . 1 1 108 108 ASN HA H 1 4.617 0.000 . 1 . . . A 109 ASN HA . 18715 1 1229 . 1 1 108 108 ASN HB2 H 1 2.880 0.000 . 1 . . . A 109 ASN HB2 . 18715 1 1230 . 1 1 108 108 ASN HB3 H 1 2.880 0.000 . 1 . . . A 109 ASN HB3 . 18715 1 1231 . 1 1 108 108 ASN CA C 13 54.882 0.000 . 1 . . . A 109 ASN CA . 18715 1 1232 . 1 1 108 108 ASN CB C 13 38.525 0.000 . 1 . . . A 109 ASN CB . 18715 1 1233 . 1 1 108 108 ASN N N 15 118.290 0.000 . 1 . . . A 109 ASN N . 18715 1 1234 . 1 1 109 109 LYS H H 1 8.031 0.000 . 1 . . . A 110 LYS H . 18715 1 1235 . 1 1 109 109 LYS HA H 1 4.230 0.000 . 1 . . . A 110 LYS HA . 18715 1 1236 . 1 1 109 109 LYS HB2 H 1 1.883 0.000 . 1 . . . A 110 LYS HB2 . 18715 1 1237 . 1 1 109 109 LYS HB3 H 1 1.883 0.000 . 1 . . . A 110 LYS HB3 . 18715 1 1238 . 1 1 109 109 LYS HG2 H 1 1.526 0.000 . 1 . . . A 110 LYS HG2 . 18715 1 1239 . 1 1 109 109 LYS HG3 H 1 1.526 0.000 . 1 . . . A 110 LYS HG3 . 18715 1 1240 . 1 1 109 109 LYS HD2 H 1 1.689 0.000 . 1 . . . A 110 LYS HD2 . 18715 1 1241 . 1 1 109 109 LYS HD3 H 1 1.689 0.000 . 1 . . . A 110 LYS HD3 . 18715 1 1242 . 1 1 109 109 LYS HE2 H 1 3.007 0.000 . 1 . . . A 110 LYS HE2 . 18715 1 1243 . 1 1 109 109 LYS HE3 H 1 3.007 0.000 . 1 . . . A 110 LYS HE3 . 18715 1 1244 . 1 1 109 109 LYS CA C 13 58.311 0.000 . 1 . . . A 110 LYS CA . 18715 1 1245 . 1 1 109 109 LYS CB C 13 32.691 0.000 . 1 . . . A 110 LYS CB . 18715 1 1246 . 1 1 109 109 LYS CG C 13 24.558 0.000 . 1 . . . A 110 LYS CG . 18715 1 1247 . 1 1 109 109 LYS CD C 13 29.136 0.000 . 1 . . . A 110 LYS CD . 18715 1 1248 . 1 1 109 109 LYS CE C 13 42.075 0.000 . 1 . . . A 110 LYS CE . 18715 1 1249 . 1 1 109 109 LYS N N 15 120.478 0.000 . 1 . . . A 110 LYS N . 18715 1 1250 . 1 1 110 110 SER H H 1 8.031 0.000 . 1 . . . A 111 SER H . 18715 1 1251 . 1 1 110 110 SER HA H 1 4.368 0.000 . 1 . . . A 111 SER HA . 18715 1 1252 . 1 1 110 110 SER HB2 H 1 3.932 0.000 . 1 . . . A 111 SER HB2 . 18715 1 1253 . 1 1 110 110 SER HB3 H 1 3.932 0.000 . 1 . . . A 111 SER HB3 . 18715 1 1254 . 1 1 110 110 SER CA C 13 59.764 0.000 . 1 . . . A 111 SER CA . 18715 1 1255 . 1 1 110 110 SER CB C 13 63.442 0.000 . 1 . . . A 111 SER CB . 18715 1 1256 . 1 1 110 110 SER N N 15 114.540 0.000 . 1 . . . A 111 SER N . 18715 1 1257 . 1 1 111 111 LYS H H 1 7.957 0.000 . 1 . . . A 112 LYS H . 18715 1 1258 . 1 1 111 111 LYS HA H 1 4.245 0.000 . 1 . . . A 112 LYS HA . 18715 1 1259 . 1 1 111 111 LYS HB2 H 1 1.866 0.000 . 1 . . . A 112 LYS HB2 . 18715 1 1260 . 1 1 111 111 LYS HB3 H 1 1.866 0.000 . 1 . . . A 112 LYS HB3 . 18715 1 1261 . 1 1 111 111 LYS HG2 H 1 1.562 0.000 . 1 . . . A 112 LYS HG2 . 18715 1 1262 . 1 1 111 111 LYS HG3 H 1 1.430 0.000 . 1 . . . A 112 LYS HG3 . 18715 1 1263 . 1 1 111 111 LYS HD2 H 1 1.663 0.000 . 1 . . . A 112 LYS HD2 . 18715 1 1264 . 1 1 111 111 LYS HD3 H 1 1.663 0.000 . 1 . . . A 112 LYS HD3 . 18715 1 1265 . 1 1 111 111 LYS CA C 13 57.329 0.000 . 1 . . . A 112 LYS CA . 18715 1 1266 . 1 1 111 111 LYS CB C 13 32.775 0.000 . 1 . . . A 112 LYS CB . 18715 1 1267 . 1 1 111 111 LYS CG C 13 24.654 0.000 . 1 . . . A 112 LYS CG . 18715 1 1268 . 1 1 111 111 LYS CD C 13 29.137 0.000 . 1 . . . A 112 LYS CD . 18715 1 1269 . 1 1 111 111 LYS N N 15 122.040 0.000 . 1 . . . A 112 LYS N . 18715 1 1270 . 1 1 112 112 LYS H H 1 8.016 0.000 . 1 . . . A 113 LYS H . 18715 1 1271 . 1 1 112 112 LYS HA H 1 4.150 0.000 . 1 . . . A 113 LYS HA . 18715 1 1272 . 1 1 112 112 LYS HB2 H 1 1.835 0.000 . 1 . . . A 113 LYS HB2 . 18715 1 1273 . 1 1 112 112 LYS HB3 H 1 1.835 0.000 . 1 . . . A 113 LYS HB3 . 18715 1 1274 . 1 1 112 112 LYS HG2 H 1 1.504 0.000 . 1 . . . A 113 LYS HG2 . 18715 1 1275 . 1 1 112 112 LYS HG3 H 1 1.504 0.000 . 1 . . . A 113 LYS HG3 . 18715 1 1276 . 1 1 112 112 LYS HD2 H 1 1.681 0.000 . 1 . . . A 113 LYS HD2 . 18715 1 1277 . 1 1 112 112 LYS HD3 H 1 1.681 0.000 . 1 . . . A 113 LYS HD3 . 18715 1 1278 . 1 1 112 112 LYS CA C 13 59.134 0.000 . 1 . . . A 113 LYS CA . 18715 1 1279 . 1 1 112 112 LYS CB C 13 32.766 0.000 . 1 . . . A 113 LYS CB . 18715 1 1280 . 1 1 112 112 LYS CG C 13 24.593 0.000 . 1 . . . A 113 LYS CG . 18715 1 1281 . 1 1 112 112 LYS CD C 13 29.053 0.000 . 1 . . . A 113 LYS CD . 18715 1 1282 . 1 1 112 112 LYS N N 15 120.790 0.000 . 1 . . . A 113 LYS N . 18715 1 1283 . 1 1 113 113 LYS H H 1 8.119 0.000 . 1 . . . A 114 LYS H . 18715 1 1284 . 1 1 113 113 LYS HA H 1 4.263 0.000 . 1 . . . A 114 LYS HA . 18715 1 1285 . 1 1 113 113 LYS HB2 H 1 1.830 0.000 . 1 . . . A 114 LYS HB2 . 18715 1 1286 . 1 1 113 113 LYS HB3 H 1 1.830 0.000 . 1 . . . A 114 LYS HB3 . 18715 1 1287 . 1 1 113 113 LYS HG2 H 1 1.430 0.000 . 1 . . . A 114 LYS HG2 . 18715 1 1288 . 1 1 113 113 LYS HG3 H 1 1.430 0.000 . 1 . . . A 114 LYS HG3 . 18715 1 1289 . 1 1 113 113 LYS HD2 H 1 1.676 0.000 . 1 . . . A 114 LYS HD2 . 18715 1 1290 . 1 1 113 113 LYS HD3 H 1 1.676 0.000 . 1 . . . A 114 LYS HD3 . 18715 1 1291 . 1 1 113 113 LYS CA C 13 57.185 0.000 . 1 . . . A 114 LYS CA . 18715 1 1292 . 1 1 113 113 LYS CB C 13 32.857 0.000 . 1 . . . A 114 LYS CB . 18715 1 1293 . 1 1 113 113 LYS CG C 13 24.621 0.000 . 1 . . . A 114 LYS CG . 18715 1 1294 . 1 1 113 113 LYS CD C 13 29.082 0.000 . 1 . . . A 114 LYS CD . 18715 1 1295 . 1 1 113 113 LYS N N 15 121.728 0.000 . 1 . . . A 114 LYS N . 18715 1 1296 . 1 1 114 114 ALA H H 1 8.178 0.000 . 1 . . . A 115 ALA H . 18715 1 1297 . 1 1 114 114 ALA HA H 1 4.268 0.000 . 1 . . . A 115 ALA HA . 18715 1 1298 . 1 1 114 114 ALA HB1 H 1 1.517 0.000 . 1 . . . A 115 ALA HB1 . 18715 1 1299 . 1 1 114 114 ALA HB2 H 1 1.517 0.000 . 1 . . . A 115 ALA HB2 . 18715 1 1300 . 1 1 114 114 ALA HB3 H 1 1.517 0.000 . 1 . . . A 115 ALA HB3 . 18715 1 1301 . 1 1 114 114 ALA CA C 13 53.035 0.000 . 1 . . . A 115 ALA CA . 18715 1 1302 . 1 1 114 114 ALA CB C 13 19.038 0.000 . 1 . . . A 115 ALA CB . 18715 1 1303 . 1 1 114 114 ALA N N 15 124.228 0.000 . 1 . . . A 115 ALA N . 18715 1 1304 . 1 1 115 115 GLN H H 1 8.237 0.000 . 1 . . . A 116 GLN H . 18715 1 1305 . 1 1 115 115 GLN HA H 1 4.248 0.000 . 1 . . . A 116 GLN HA . 18715 1 1306 . 1 1 115 115 GLN HB2 H 1 2.075 0.000 . 1 . . . A 116 GLN HB2 . 18715 1 1307 . 1 1 115 115 GLN HB3 H 1 2.075 0.000 . 1 . . . A 116 GLN HB3 . 18715 1 1308 . 1 1 115 115 GLN HG2 H 1 2.419 0.000 . 1 . . . A 116 GLN HG2 . 18715 1 1309 . 1 1 115 115 GLN HG3 H 1 2.419 0.000 . 1 . . . A 116 GLN HG3 . 18715 1 1310 . 1 1 115 115 GLN CA C 13 56.549 0.000 . 1 . . . A 116 GLN CA . 18715 1 1311 . 1 1 115 115 GLN CG C 13 34.036 0.000 . 1 . . . A 116 GLN CG . 18715 1 1312 . 1 1 115 115 GLN N N 15 119.228 0.000 . 1 . . . A 116 GLN N . 18715 1 1313 . 1 1 116 116 GLN H H 1 8.266 0.000 . 1 . . . A 117 GLN H . 18715 1 1314 . 1 1 116 116 GLN HA H 1 4.269 0.000 . 1 . . . A 117 GLN HA . 18715 1 1315 . 1 1 116 116 GLN HB2 H 1 2.018 0.000 . 1 . . . A 117 GLN HB2 . 18715 1 1316 . 1 1 116 116 GLN HB3 H 1 2.018 0.000 . 1 . . . A 117 GLN HB3 . 18715 1 1317 . 1 1 116 116 GLN HG2 H 1 2.383 0.000 . 1 . . . A 117 GLN HG2 . 18715 1 1318 . 1 1 116 116 GLN HG3 H 1 2.383 0.000 . 1 . . . A 117 GLN HG3 . 18715 1 1319 . 1 1 116 116 GLN CA C 13 56.324 0.000 . 1 . . . A 117 GLN CA . 18715 1 1320 . 1 1 116 116 GLN CB C 13 29.606 0.000 . 1 . . . A 117 GLN CB . 18715 1 1321 . 1 1 116 116 GLN CG C 13 33.976 0.000 . 1 . . . A 117 GLN CG . 18715 1 1322 . 1 1 116 116 GLN N N 15 120.478 0.000 . 1 . . . A 117 GLN N . 18715 1 1323 . 1 1 117 117 ALA H H 1 8.266 0.000 . 1 . . . A 118 ALA H . 18715 1 1324 . 1 1 117 117 ALA HA H 1 4.276 0.000 . 1 . . . A 118 ALA HA . 18715 1 1325 . 1 1 117 117 ALA HB1 H 1 1.415 0.000 . 1 . . . A 118 ALA HB1 . 18715 1 1326 . 1 1 117 117 ALA HB2 H 1 1.415 0.000 . 1 . . . A 118 ALA HB2 . 18715 1 1327 . 1 1 117 117 ALA HB3 H 1 1.415 0.000 . 1 . . . A 118 ALA HB3 . 18715 1 1328 . 1 1 117 117 ALA CA C 13 52.837 0.000 . 1 . . . A 118 ALA CA . 18715 1 1329 . 1 1 117 117 ALA CB C 13 19.062 0.000 . 1 . . . A 118 ALA CB . 18715 1 1330 . 1 1 117 117 ALA N N 15 124.852 0.000 . 1 . . . A 118 ALA N . 18715 1 1331 . 1 1 118 118 ALA H H 1 8.163 0.000 . 1 . . . A 119 ALA H . 18715 1 1332 . 1 1 118 118 ALA HA H 1 4.294 0.000 . 1 . . . A 119 ALA HA . 18715 1 1333 . 1 1 118 118 ALA HB1 H 1 1.404 0.000 . 1 . . . A 119 ALA HB1 . 18715 1 1334 . 1 1 118 118 ALA HB2 H 1 1.404 0.000 . 1 . . . A 119 ALA HB2 . 18715 1 1335 . 1 1 118 118 ALA HB3 H 1 1.404 0.000 . 1 . . . A 119 ALA HB3 . 18715 1 1336 . 1 1 118 118 ALA CA C 13 52.637 0.000 . 1 . . . A 119 ALA CA . 18715 1 1337 . 1 1 118 118 ALA CB C 13 19.201 0.000 . 1 . . . A 119 ALA CB . 18715 1 1338 . 1 1 118 118 ALA N N 15 122.978 0.000 . 1 . . . A 119 ALA N . 18715 1 1339 . 1 1 119 119 ALA H H 1 8.163 0.000 . 1 . . . A 120 ALA H . 18715 1 1340 . 1 1 119 119 ALA HA H 1 4.277 0.000 . 1 . . . A 120 ALA HA . 18715 1 1341 . 1 1 119 119 ALA HB1 H 1 1.393 0.000 . 1 . . . A 120 ALA HB1 . 18715 1 1342 . 1 1 119 119 ALA HB2 H 1 1.393 0.000 . 1 . . . A 120 ALA HB2 . 18715 1 1343 . 1 1 119 119 ALA HB3 H 1 1.393 0.000 . 1 . . . A 120 ALA HB3 . 18715 1 1344 . 1 1 119 119 ALA CA C 13 52.736 0.000 . 1 . . . A 120 ALA CA . 18715 1 1345 . 1 1 119 119 ALA CB C 13 19.167 0.000 . 1 . . . A 120 ALA CB . 18715 1 1346 . 1 1 119 119 ALA N N 15 122.665 0.000 . 1 . . . A 120 ALA N . 18715 1 1347 . 1 1 120 120 ASP H H 1 8.252 0.000 . 1 . . . A 121 ASP H . 18715 1 1348 . 1 1 120 120 ASP HA H 1 4.682 0.000 . 1 . . . A 121 ASP HA . 18715 1 1349 . 1 1 120 120 ASP HB2 H 1 2.718 0.000 . 1 . . . A 121 ASP HB2 . 18715 1 1350 . 1 1 120 120 ASP HB3 H 1 2.718 0.000 . 1 . . . A 121 ASP HB3 . 18715 1 1351 . 1 1 120 120 ASP CA C 13 54.264 0.000 . 1 . . . A 121 ASP CA . 18715 1 1352 . 1 1 120 120 ASP CB C 13 41.128 0.000 . 1 . . . A 121 ASP CB . 18715 1 1353 . 1 1 120 120 ASP N N 15 119.228 0.000 . 1 . . . A 121 ASP N . 18715 1 1354 . 1 1 121 121 THR H H 1 8.075 0.000 . 1 . . . A 122 THR H . 18715 1 1355 . 1 1 121 121 THR HA H 1 4.358 0.000 . 1 . . . A 122 THR HA . 18715 1 1356 . 1 1 121 121 THR HB H 1 4.358 0.000 . 1 . . . A 122 THR HB . 18715 1 1357 . 1 1 121 121 THR HG21 H 1 1.194 0.000 . 1 . . . A 122 THR HG21 . 18715 1 1358 . 1 1 121 121 THR HG22 H 1 1.194 0.000 . 1 . . . A 122 THR HG22 . 18715 1 1359 . 1 1 121 121 THR HG23 H 1 1.194 0.000 . 1 . . . A 122 THR HG23 . 18715 1 1360 . 1 1 121 121 THR CA C 13 61.971 0.000 . 1 . . . A 122 THR CA . 18715 1 1361 . 1 1 121 121 THR CB C 13 69.586 0.101 . 1 . . . A 122 THR CB . 18715 1 1362 . 1 1 121 121 THR CG2 C 13 21.619 0.000 . 1 . . . A 122 THR CG2 . 18715 1 1363 . 1 1 121 121 THR N N 15 113.602 0.000 . 1 . . . A 122 THR N . 18715 1 1364 . 1 1 122 122 GLY H H 1 8.414 0.000 . 1 . . . A 123 GLY H . 18715 1 1365 . 1 1 122 122 GLY HA2 H 1 3.934 0.000 . 1 . . . A 123 GLY HA2 . 18715 1 1366 . 1 1 122 122 GLY HA3 H 1 3.976 0.000 . 1 . . . A 123 GLY HA3 . 18715 1 1367 . 1 1 122 122 GLY CA C 13 45.603 0.000 . 1 . . . A 123 GLY CA . 18715 1 1368 . 1 1 122 122 GLY N N 15 110.478 0.000 . 1 . . . A 123 GLY N . 18715 1 1369 . 1 1 123 123 ASN H H 1 8.266 0.000 . 1 . . . A 124 ASN H . 18715 1 1370 . 1 1 123 123 ASN HA H 1 4.608 0.000 . 1 . . . A 124 ASN HA . 18715 1 1371 . 1 1 123 123 ASN HB2 H 1 2.840 0.000 . 1 . . . A 124 ASN HB2 . 18715 1 1372 . 1 1 123 123 ASN HB3 H 1 2.840 0.000 . 1 . . . A 124 ASN HB3 . 18715 1 1373 . 1 1 123 123 ASN CA C 13 54.733 0.000 . 1 . . . A 124 ASN CA . 18715 1 1374 . 1 1 123 123 ASN CB C 13 38.538 0.000 . 1 . . . A 124 ASN CB . 18715 1 1375 . 1 1 123 123 ASN N N 15 118.602 0.000 . 1 . . . A 124 ASN N . 18715 1 1376 . 1 1 124 124 ASN H H 1 8.443 0.000 . 1 . . . A 125 ASN H . 18715 1 1377 . 1 1 124 124 ASN HA H 1 4.724 0.000 . 1 . . . A 125 ASN HA . 18715 1 1378 . 1 1 124 124 ASN HB2 H 1 2.798 0.000 . 1 . . . A 125 ASN HB2 . 18715 1 1379 . 1 1 124 124 ASN HB3 H 1 2.798 0.000 . 1 . . . A 125 ASN HB3 . 18715 1 1380 . 1 1 124 124 ASN CA C 13 53.453 0.000 . 1 . . . A 125 ASN CA . 18715 1 1381 . 1 1 124 124 ASN CB C 13 38.813 0.000 . 1 . . . A 125 ASN CB . 18715 1 1382 . 1 1 124 124 ASN N N 15 119.228 0.000 . 1 . . . A 125 ASN N . 18715 1 1383 . 1 1 125 125 SER H H 1 8.266 0.000 . 1 . . . A 126 SER H . 18715 1 1384 . 1 1 125 125 SER HA H 1 4.388 0.000 . 1 . . . A 126 SER HA . 18715 1 1385 . 1 1 125 125 SER HB2 H 1 3.887 0.000 . 1 . . . A 126 SER HB2 . 18715 1 1386 . 1 1 125 125 SER HB3 H 1 3.887 0.000 . 1 . . . A 126 SER HB3 . 18715 1 1387 . 1 1 125 125 SER CA C 13 58.851 0.000 . 1 . . . A 126 SER CA . 18715 1 1388 . 1 1 125 125 SER CB C 13 63.926 0.000 . 1 . . . A 126 SER CB . 18715 1 1389 . 1 1 125 125 SER N N 15 115.790 0.000 . 1 . . . A 126 SER N . 18715 1 1390 . 1 1 126 126 GLN H H 1 8.355 0.000 . 1 . . . A 127 GLN H . 18715 1 1391 . 1 1 126 126 GLN HA H 1 4.323 0.000 . 1 . . . A 127 GLN HA . 18715 1 1392 . 1 1 126 126 GLN HB2 H 1 1.964 0.000 . 1 . . . A 127 GLN HB2 . 18715 1 1393 . 1 1 126 126 GLN HB3 H 1 1.964 0.000 . 1 . . . A 127 GLN HB3 . 18715 1 1394 . 1 1 126 126 GLN HG2 H 1 2.346 0.000 . 1 . . . A 127 GLN HG2 . 18715 1 1395 . 1 1 126 126 GLN HG3 H 1 2.298 0.000 . 1 . . . A 127 GLN HG3 . 18715 1 1396 . 1 1 126 126 GLN CA C 13 56.223 0.000 . 1 . . . A 127 GLN CA . 18715 1 1397 . 1 1 126 126 GLN CB C 13 29.168 0.000 . 1 . . . A 127 GLN CB . 18715 1 1398 . 1 1 126 126 GLN CG C 13 33.774 0.000 . 1 . . . A 127 GLN CG . 18715 1 1399 . 1 1 126 126 GLN N N 15 121.728 0.000 . 1 . . . A 127 GLN N . 18715 1 1400 . 1 1 127 127 VAL H H 1 7.986 0.000 . 1 . . . A 128 VAL H . 18715 1 1401 . 1 1 127 127 VAL HA H 1 4.109 0.000 . 1 . . . A 128 VAL HA . 18715 1 1402 . 1 1 127 127 VAL HB H 1 2.023 0.000 . 1 . . . A 128 VAL HB . 18715 1 1403 . 1 1 127 127 VAL HG11 H 1 0.935 0.000 . 1 . . . A 128 VAL HG11 . 18715 1 1404 . 1 1 127 127 VAL HG12 H 1 0.935 0.000 . 1 . . . A 128 VAL HG12 . 18715 1 1405 . 1 1 127 127 VAL HG13 H 1 0.935 0.000 . 1 . . . A 128 VAL HG13 . 18715 1 1406 . 1 1 127 127 VAL HG21 H 1 0.947 0.000 . 1 . . . A 128 VAL HG21 . 18715 1 1407 . 1 1 127 127 VAL HG22 H 1 0.947 0.000 . 1 . . . A 128 VAL HG22 . 18715 1 1408 . 1 1 127 127 VAL HG23 H 1 0.947 0.000 . 1 . . . A 128 VAL HG23 . 18715 1 1409 . 1 1 127 127 VAL CA C 13 62.665 0.000 . 1 . . . A 128 VAL CA . 18715 1 1410 . 1 1 127 127 VAL CB C 13 32.769 0.000 . 1 . . . A 128 VAL CB . 18715 1 1411 . 1 1 127 127 VAL CG1 C 13 21.110 0.000 . 1 . . . A 128 VAL CG1 . 18715 1 1412 . 1 1 127 127 VAL CG2 C 13 20.512 0.000 . 1 . . . A 128 VAL CG2 . 18715 1 1413 . 1 1 127 127 VAL N N 15 119.852 0.000 . 1 . . . A 128 VAL N . 18715 1 1414 . 1 1 128 128 SER H H 1 8.252 0.000 . 1 . . . A 129 SER H . 18715 1 1415 . 1 1 128 128 SER HA H 1 4.136 0.000 . 1 . . . A 129 SER HA . 18715 1 1416 . 1 1 128 128 SER HB2 H 1 3.839 0.000 . 1 . . . A 129 SER HB2 . 18715 1 1417 . 1 1 128 128 SER HB3 H 1 3.839 0.000 . 1 . . . A 129 SER HB3 . 18715 1 1418 . 1 1 128 128 SER CA C 13 58.404 0.000 . 1 . . . A 129 SER CA . 18715 1 1419 . 1 1 128 128 SER CB C 13 63.755 0.000 . 1 . . . A 129 SER CB . 18715 1 1420 . 1 1 128 128 SER N N 15 117.978 0.000 . 1 . . . A 129 SER N . 18715 1 1421 . 1 1 129 129 GLN H H 1 8.355 0.000 . 1 . . . A 130 GLN H . 18715 1 1422 . 1 1 129 129 GLN HA H 1 4.355 0.000 . 1 . . . A 130 GLN HA . 18715 1 1423 . 1 1 129 129 GLN HB2 H 1 1.995 0.000 . 1 . . . A 130 GLN HB2 . 18715 1 1424 . 1 1 129 129 GLN HB3 H 1 1.995 0.000 . 1 . . . A 130 GLN HB3 . 18715 1 1425 . 1 1 129 129 GLN HG2 H 1 2.333 0.000 . 1 . . . A 130 GLN HG2 . 18715 1 1426 . 1 1 129 129 GLN HG3 H 1 2.333 0.000 . 1 . . . A 130 GLN HG3 . 18715 1 1427 . 1 1 129 129 GLN CA C 13 56.150 0.000 . 1 . . . A 130 GLN CA . 18715 1 1428 . 1 1 129 129 GLN CB C 13 29.373 0.000 . 1 . . . A 130 GLN CB . 18715 1 1429 . 1 1 129 129 GLN CG C 13 34.034 0.000 . 1 . . . A 130 GLN CG . 18715 1 1430 . 1 1 129 129 GLN N N 15 121.728 0.000 . 1 . . . A 130 GLN N . 18715 1 1431 . 1 1 130 130 ASN H H 1 8.252 0.000 . 1 . . . A 131 ASN H . 18715 1 1432 . 1 1 130 130 ASN HA H 1 4.632 0.000 . 1 . . . A 131 ASN HA . 18715 1 1433 . 1 1 130 130 ASN CA C 13 53.568 0.000 . 1 . . . A 131 ASN CA . 18715 1 1434 . 1 1 130 130 ASN N N 15 118.290 0.000 . 1 . . . A 131 ASN N . 18715 1 1435 . 1 1 131 131 TYR H H 1 7.957 0.000 . 1 . . . A 132 TYR H . 18715 1 1436 . 1 1 131 131 TYR HA H 1 4.431 0.000 . 1 . . . A 132 TYR HA . 18715 1 1437 . 1 1 131 131 TYR HB2 H 1 2.826 0.000 . 1 . . . A 132 TYR HB2 . 18715 1 1438 . 1 1 131 131 TYR HB3 H 1 2.826 0.000 . 1 . . . A 132 TYR HB3 . 18715 1 1439 . 1 1 131 131 TYR HE1 H 1 6.954 0.000 . 1 . . . A 132 TYR HE1 . 18715 1 1440 . 1 1 131 131 TYR HE2 H 1 6.954 0.000 . 1 . . . A 132 TYR HE2 . 18715 1 1441 . 1 1 131 131 TYR CA C 13 58.185 0.000 . 1 . . . A 132 TYR CA . 18715 1 1442 . 1 1 131 131 TYR CB C 13 38.492 0.000 . 1 . . . A 132 TYR CB . 18715 1 1443 . 1 1 131 131 TYR CE1 C 13 118.192 0.000 . 1 . . . A 132 TYR CE1 . 18715 1 1444 . 1 1 131 131 TYR CE2 C 13 118.192 0.000 . 1 . . . A 132 TYR CE2 . 18715 1 1445 . 1 1 131 131 TYR N N 15 120.165 0.000 . 1 . . . A 132 TYR N . 18715 1 stop_ save_