data_15116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15116 _Entry.Title ; Solution structure of V7R mutant of HIV-1 myristoylated matrix protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-29 _Entry.Accession_date 2007-01-29 _Entry.Last_release_date 2007-03-06 _Entry.Original_release_date 2007-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 J. Saad J. S. . 15116 2 E. Loeliger E. . . 15116 3 P. Luncsford P. . . 15116 4 M. Liriano M. . . 15116 5 J. Tai J. . . 15116 6 A. Kim A. . . 15116 7 J. Miller J. . . 15116 8 A. Joshi A. . . 15116 9 E. Freed E. O. . 15116 10 M. Summers M. F. . 15116 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'L8A mutant of HIV-1 myristoylated matrix protein' 'L8A mutant of HIV-1 myristoylated matrix protein' 15116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 15116 '15N chemical shifts' 130 15116 '1H chemical shifts' 795 15116 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 . . 2007-03-06 2007-01-29 original author . 15116 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15114 'HIV-1 L8A-myrMA' 15116 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15116 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17188710 _Citation.Full_citation . _Citation.Title 'Point Mutations in the HIV-1 Matrix Protein Turn Off the Myristyl Switch.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 366 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 574 _Citation.Page_last 585 _Citation.Year 2007 _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 J. Saad J. S. . 15116 1 2 E. Loeliger E. . . 15116 1 3 P. Luncsford P. . . 15116 1 4 M. Liriano M. . . 15116 1 5 J. Tai J. . . 15116 1 6 A. Kim A. . . 15116 1 7 J. Miller J. . . 15116 1 8 A. Joshi A. . . 15116 1 9 E. Freed E. O. . 15116 1 10 M. Summers M. F. . 15116 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15116 _Assembly.ID 1 _Assembly.Name 'HIV-1 V7R-myrMA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'V7R mutant of HIV-1 myrMA' _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 'HIV-1 V7R-myrMA' 1 $Gag_polyprotein A . yes native no no . . . 15116 1 2 myr 2 $entity_MYR B . yes native no no . . . 15116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gag_polyprotein _Entity.Sf_category entity _Entity.Sf_framecode Gag_polyprotein _Entity.Entry_ID 15116 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gag_polyprotein _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 ; GARASRLSGGELDKWEKIRL 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 'matrix domain, residues 2-132' _Entity.Mutation V7R _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15114 . Gag_polyprotein . . . . . 100.00 131 98.47 98.47 2.07e-87 . . . . 15116 1 2 no BMRB 18715 . MA . . . . . 100.00 131 99.24 99.24 3.00e-88 . . . . 15116 1 3 no BMRB 18716 . MA . . . . . 100.00 131 99.24 99.24 3.00e-88 . . . . 15116 1 4 no PDB 1HIW . "Trimeric Hiv-1 Matrix Protein" . . . . . 100.00 133 99.24 99.24 2.78e-88 . . . . 15116 1 5 no PDB 1L6N . "Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein" . . . . . 100.00 289 99.24 99.24 1.08e-86 . . . . 15116 1 6 no PDB 1UPH . "Hiv-1 Myristoylated Matrix" . . . . . 99.24 132 99.23 99.23 3.70e-87 . . . . 15116 1 7 no PDB 2GOL . "Xray Structure Of Gag278" . . . . . 100.00 133 99.24 99.24 2.78e-88 . . . . 15116 1 8 no PDB 2H3F . "Solution Structure Of The Hiv-1 Ma Protein" . . . . . 99.24 131 99.23 99.23 3.58e-87 . . . . 15116 1 9 no PDB 2H3I . "Solution Structure Of The Hiv-1 Myristoylated Matrix Protein" . . . . . 98.47 131 99.22 99.22 2.53e-86 . . . . 15116 1 10 no PDB 2H3Q . "Solution Structure Of Hiv-1 Myrma Bound To Di-c4-phosphatidylinositol- (4,5)-bisphosphate" . . . . . 98.47 131 99.22 99.22 2.53e-86 . . . . 15116 1 11 no PDB 2H3V . "Structure Of The Hiv-1 Matrix Protein Bound To Di-C8- Phosphatidylinositol-(4,5)-Bisphosphate" . . . . . 99.24 131 99.23 99.23 3.58e-87 . . . . 15116 1 12 no PDB 2H3Z . "Structure Of The Hiv-1 Matrix Protein Bound To Di-c4- Phosphatidylinositol-(4,5)-bisphosphate" . . . . . 99.24 131 99.23 99.23 3.58e-87 . . . . 15116 1 13 no PDB 2HMX . "Human Immunodeficiency Virus Type 1 Matrix Protein" . . . . . 99.24 133 99.23 99.23 3.31e-87 . . . . 15116 1 14 no PDB 2JMG . "Solution Structure Of V7r Mutant Of Hiv-1 Myristoylated Matrix Protein" . . . . . 98.47 131 100.00 100.00 1.90e-87 . . . . 15116 1 15 no PDB 2LYA . "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidylcholine" . . . . . 100.00 137 99.24 99.24 2.55e-88 . . . . 15116 1 16 no PDB 2LYB . "Structure Of Hiv-1 Myr(-) Matrix Protein In Complex With 1,2- Dioctanoyl-sn-phosphatidyl-l-serine" . . . . . 100.00 137 99.24 99.24 2.55e-88 . . . . 15116 1 17 no PDB 2NV3 . "Solution Structure Of L8a Mutant Of Hiv-1 Myristoylated Matrix Protein" . . . . . 98.47 131 98.45 98.45 1.71e-85 . . . . 15116 1 18 no PDB 4JMU . "Crystal Structure Of Hiv Matrix Residues 1-111 In Complex With Inhibitor" . . . . . 83.97 112 99.09 99.09 3.63e-72 . . . . 15116 1 19 no DBJ BAF34641 . "gag polyprotein [HIV-1 vector pNL-DT5R]" . . . . . 100.00 498 99.24 99.24 1.23e-83 . . . . 15116 1 20 no DBJ BAG48474 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 147 99.24 99.24 2.76e-88 . . . . 15116 1 21 no EMBL CBI61180 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 98.47 98.47 2.33e-82 . . . . 15116 1 22 no EMBL CBI61181 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 98.47 98.47 6.94e-83 . . . . 15116 1 23 no EMBL CBI61182 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 98.47 99.24 4.47e-83 . . . . 15116 1 24 no EMBL CBI61183 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 98.47 98.47 7.57e-83 . . . . 15116 1 25 no EMBL CBI61184 . "gag polyprotein [HIV-1 M:B 2003_KC005]" . . . . . 100.00 497 99.24 99.24 1.16e-83 . . . . 15116 1 26 no GB AAA44987 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 500 99.24 99.24 1.21e-83 . . . . 15116 1 27 no GB AAB00898 . "p17 protein, partial [Human immunodeficiency virus 1]" . . . . . 78.63 117 97.09 99.03 9.30e-64 . . . . 15116 1 28 no GB AAB60571 . "Gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 500 99.24 99.24 1.39e-83 . . . . 15116 1 29 no GB AAC28445 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 500 96.95 97.71 1.03e-81 . . . . 15116 1 30 no GB AAC29216 . "Gag [Human immunodeficiency virus 1]" . . . . . 63.36 83 98.80 100.00 3.09e-52 . . . . 15116 1 31 no SP P12493 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 500 99.24 99.24 1.21e-83 . . . . 15116 1 32 no SP P12497 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1435 99.24 99.24 9.62e-79 . . . . 15116 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Gag polyprotein' RCSB_NAME 15116 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 . 15116 1 2 3 ALA . 15116 1 3 4 ARG . 15116 1 4 5 ALA . 15116 1 5 6 SER . 15116 1 6 7 ARG . 15116 1 7 8 LEU . 15116 1 8 9 SER . 15116 1 9 10 GLY . 15116 1 10 11 GLY . 15116 1 11 12 GLU . 15116 1 12 13 LEU . 15116 1 13 14 ASP . 15116 1 14 15 LYS . 15116 1 15 16 TRP . 15116 1 16 17 GLU . 15116 1 17 18 LYS . 15116 1 18 19 ILE . 15116 1 19 20 ARG . 15116 1 20 21 LEU . 15116 1 21 22 ARG . 15116 1 22 23 PRO . 15116 1 23 24 GLY . 15116 1 24 25 GLY . 15116 1 25 26 LYS . 15116 1 26 27 LYS . 15116 1 27 28 GLN . 15116 1 28 29 TYR . 15116 1 29 30 LYS . 15116 1 30 31 LEU . 15116 1 31 32 LYS . 15116 1 32 33 HIS . 15116 1 33 34 ILE . 15116 1 34 35 VAL . 15116 1 35 36 TRP . 15116 1 36 37 ALA . 15116 1 37 38 SER . 15116 1 38 39 ARG . 15116 1 39 40 GLU . 15116 1 40 41 LEU . 15116 1 41 42 GLU . 15116 1 42 43 ARG . 15116 1 43 44 PHE . 15116 1 44 45 ALA . 15116 1 45 46 VAL . 15116 1 46 47 ASN . 15116 1 47 48 PRO . 15116 1 48 49 GLY . 15116 1 49 50 LEU . 15116 1 50 51 LEU . 15116 1 51 52 GLU . 15116 1 52 53 THR . 15116 1 53 54 SER . 15116 1 54 55 GLU . 15116 1 55 56 GLY . 15116 1 56 57 CYS . 15116 1 57 58 ARG . 15116 1 58 59 GLN . 15116 1 59 60 ILE . 15116 1 60 61 LEU . 15116 1 61 62 GLY . 15116 1 62 63 GLN . 15116 1 63 64 LEU . 15116 1 64 65 GLN . 15116 1 65 66 PRO . 15116 1 66 67 SER . 15116 1 67 68 LEU . 15116 1 68 69 GLN . 15116 1 69 70 THR . 15116 1 70 71 GLY . 15116 1 71 72 SER . 15116 1 72 73 GLU . 15116 1 73 74 GLU . 15116 1 74 75 LEU . 15116 1 75 76 ARG . 15116 1 76 77 SER . 15116 1 77 78 LEU . 15116 1 78 79 TYR . 15116 1 79 80 ASN . 15116 1 80 81 THR . 15116 1 81 82 ILE . 15116 1 82 83 ALA . 15116 1 83 84 VAL . 15116 1 84 85 LEU . 15116 1 85 86 TYR . 15116 1 86 87 CYS . 15116 1 87 88 VAL . 15116 1 88 89 HIS . 15116 1 89 90 GLN . 15116 1 90 91 ARG . 15116 1 91 92 ILE . 15116 1 92 93 ASP . 15116 1 93 94 VAL . 15116 1 94 95 LYS . 15116 1 95 96 ASP . 15116 1 96 97 THR . 15116 1 97 98 LYS . 15116 1 98 99 GLU . 15116 1 99 100 ALA . 15116 1 100 101 LEU . 15116 1 101 102 ASP . 15116 1 102 103 LYS . 15116 1 103 104 ILE . 15116 1 104 105 GLU . 15116 1 105 106 GLU . 15116 1 106 107 GLU . 15116 1 107 108 GLN . 15116 1 108 109 ASN . 15116 1 109 110 LYS . 15116 1 110 111 SER . 15116 1 111 112 LYS . 15116 1 112 113 LYS . 15116 1 113 114 LYS . 15116 1 114 115 ALA . 15116 1 115 116 GLN . 15116 1 116 117 GLN . 15116 1 117 118 ALA . 15116 1 118 119 ALA . 15116 1 119 120 ALA . 15116 1 120 121 ASP . 15116 1 121 122 THR . 15116 1 122 123 GLY . 15116 1 123 124 ASN . 15116 1 124 125 ASN . 15116 1 125 126 SER . 15116 1 126 127 GLN . 15116 1 127 128 VAL . 15116 1 128 129 SER . 15116 1 129 130 GLN . 15116 1 130 131 ASN . 15116 1 131 132 TYR . 15116 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 15116 1 . ALA 2 2 15116 1 . ARG 3 3 15116 1 . ALA 4 4 15116 1 . SER 5 5 15116 1 . ARG 6 6 15116 1 . LEU 7 7 15116 1 . SER 8 8 15116 1 . GLY 9 9 15116 1 . GLY 10 10 15116 1 . GLU 11 11 15116 1 . LEU 12 12 15116 1 . ASP 13 13 15116 1 . LYS 14 14 15116 1 . TRP 15 15 15116 1 . GLU 16 16 15116 1 . LYS 17 17 15116 1 . ILE 18 18 15116 1 . ARG 19 19 15116 1 . LEU 20 20 15116 1 . ARG 21 21 15116 1 . PRO 22 22 15116 1 . GLY 23 23 15116 1 . GLY 24 24 15116 1 . LYS 25 25 15116 1 . LYS 26 26 15116 1 . GLN 27 27 15116 1 . TYR 28 28 15116 1 . LYS 29 29 15116 1 . LEU 30 30 15116 1 . LYS 31 31 15116 1 . HIS 32 32 15116 1 . ILE 33 33 15116 1 . VAL 34 34 15116 1 . TRP 35 35 15116 1 . ALA 36 36 15116 1 . SER 37 37 15116 1 . ARG 38 38 15116 1 . GLU 39 39 15116 1 . LEU 40 40 15116 1 . GLU 41 41 15116 1 . ARG 42 42 15116 1 . PHE 43 43 15116 1 . ALA 44 44 15116 1 . VAL 45 45 15116 1 . ASN 46 46 15116 1 . PRO 47 47 15116 1 . GLY 48 48 15116 1 . LEU 49 49 15116 1 . LEU 50 50 15116 1 . GLU 51 51 15116 1 . THR 52 52 15116 1 . SER 53 53 15116 1 . GLU 54 54 15116 1 . GLY 55 55 15116 1 . CYS 56 56 15116 1 . ARG 57 57 15116 1 . GLN 58 58 15116 1 . ILE 59 59 15116 1 . LEU 60 60 15116 1 . GLY 61 61 15116 1 . GLN 62 62 15116 1 . LEU 63 63 15116 1 . GLN 64 64 15116 1 . PRO 65 65 15116 1 . SER 66 66 15116 1 . LEU 67 67 15116 1 . GLN 68 68 15116 1 . THR 69 69 15116 1 . GLY 70 70 15116 1 . SER 71 71 15116 1 . GLU 72 72 15116 1 . GLU 73 73 15116 1 . LEU 74 74 15116 1 . ARG 75 75 15116 1 . SER 76 76 15116 1 . LEU 77 77 15116 1 . TYR 78 78 15116 1 . ASN 79 79 15116 1 . THR 80 80 15116 1 . ILE 81 81 15116 1 . ALA 82 82 15116 1 . VAL 83 83 15116 1 . LEU 84 84 15116 1 . TYR 85 85 15116 1 . CYS 86 86 15116 1 . VAL 87 87 15116 1 . HIS 88 88 15116 1 . GLN 89 89 15116 1 . ARG 90 90 15116 1 . ILE 91 91 15116 1 . ASP 92 92 15116 1 . VAL 93 93 15116 1 . LYS 94 94 15116 1 . ASP 95 95 15116 1 . THR 96 96 15116 1 . LYS 97 97 15116 1 . GLU 98 98 15116 1 . ALA 99 99 15116 1 . LEU 100 100 15116 1 . ASP 101 101 15116 1 . LYS 102 102 15116 1 . ILE 103 103 15116 1 . GLU 104 104 15116 1 . GLU 105 105 15116 1 . GLU 106 106 15116 1 . GLN 107 107 15116 1 . ASN 108 108 15116 1 . LYS 109 109 15116 1 . SER 110 110 15116 1 . LYS 111 111 15116 1 . LYS 112 112 15116 1 . LYS 113 113 15116 1 . ALA 114 114 15116 1 . GLN 115 115 15116 1 . GLN 116 116 15116 1 . ALA 117 117 15116 1 . ALA 118 118 15116 1 . ALA 119 119 15116 1 . ASP 120 120 15116 1 . THR 121 121 15116 1 . GLY 122 122 15116 1 . ASN 123 123 15116 1 . ASN 124 124 15116 1 . SER 125 125 15116 1 . GLN 126 126 15116 1 . VAL 127 127 15116 1 . SER 128 128 15116 1 . GLN 129 129 15116 1 . ASN 130 130 15116 1 . TYR 131 131 15116 1 stop_ save_ save_entity_MYR _Entity.Sf_category entity _Entity.Sf_framecode entity_MYR _Entity.Entry_ID 15116 _Entity.ID 2 _Entity.BMRB_code MYR _Entity.Name 'MYRISTIC ACID' _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 MYR _Entity.Nonpolymer_comp_label $chem_comp_MYR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 228.371 _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 'MYRISTIC ACID' BMRB 15116 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MYRISTIC ACID' BMRB 15116 2 MYR 'Three letter code' 15116 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 MYR $chem_comp_MYR 15116 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 MYR C1 15116 2 2 1 MYR C10 15116 2 3 1 MYR C11 15116 2 4 1 MYR C12 15116 2 5 1 MYR C13 15116 2 6 1 MYR C14 15116 2 7 1 MYR C2 15116 2 8 1 MYR C3 15116 2 9 1 MYR C4 15116 2 10 1 MYR C5 15116 2 11 1 MYR C6 15116 2 12 1 MYR C7 15116 2 13 1 MYR C8 15116 2 14 1 MYR C9 15116 2 15 1 MYR H101 15116 2 16 1 MYR H102 15116 2 17 1 MYR H111 15116 2 18 1 MYR H112 15116 2 19 1 MYR H121 15116 2 20 1 MYR H122 15116 2 21 1 MYR H131 15116 2 22 1 MYR H132 15116 2 23 1 MYR H141 15116 2 24 1 MYR H142 15116 2 25 1 MYR H143 15116 2 26 1 MYR H21 15116 2 27 1 MYR H22 15116 2 28 1 MYR H31 15116 2 29 1 MYR H32 15116 2 30 1 MYR H41 15116 2 31 1 MYR H42 15116 2 32 1 MYR H51 15116 2 33 1 MYR H52 15116 2 34 1 MYR H61 15116 2 35 1 MYR H62 15116 2 36 1 MYR H71 15116 2 37 1 MYR H72 15116 2 38 1 MYR H81 15116 2 39 1 MYR H82 15116 2 40 1 MYR H91 15116 2 41 1 MYR H92 15116 2 42 1 MYR HO2 15116 2 43 1 MYR O1 15116 2 44 1 MYR O2 15116 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 15116 _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 $Gag_polyprotein . . organism . 'Human immunodeficiency virus 1' virus . . . . . . . . . . . . . . . . . . . . . . gag . . . . 15116 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 15116 _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 $Gag_polyprotein . 'recombinant technology' 'Escherichia coli' bacteria . . . . . . . . . . . . . . . . . . . . 'pET11 and pET19' . . . . . . 15116 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 15116 _Chem_comp.ID MYR _Chem_comp.Provenance PDB _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MYR _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _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 1ICM _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 CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 15116 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15116 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 15116 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 15116 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 15116 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 10.04 15116 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 15116 MYR 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 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 15116 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15116 MYR 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 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 6.748 . -0.653 . 3.744 . 0.121 0.000 -6.963 1 . 15116 MYR O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 6.160 . -1.704 . 3.756 . 1.327 0.000 -6.888 2 . 15116 MYR O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 6.245 . 0.389 . 4.316 . -0.476 0.000 -8.164 3 . 15116 MYR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 8.095 . -0.440 . 3.061 . -0.711 0.000 -5.706 4 . 15116 MYR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.236 . -1.264 . 3.627 . 0.209 0.000 -4.484 5 . 15116 MYR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 9.578 . -0.958 . 5.081 . -0.636 0.000 -3.209 6 . 15116 MYR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 10.773 . -1.735 . 5.635 . 0.284 0.000 -1.987 7 . 15116 MYR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 11.280 . -1.093 . 6.928 . -0.560 0.000 -0.712 8 . 15116 MYR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 12.782 . -1.170 . 7.157 . 0.359 0.000 0.509 9 . 15116 MYR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 13.305 . 0.171 . 7.667 . -0.485 0.000 1.785 10 . 15116 MYR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 14.245 . 0.011 . 8.840 . 0.434 0.000 3.007 11 . 15116 MYR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.363 . 1.259 . 9.699 . -0.410 0.000 4.282 12 . 15116 MYR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 15.566 . 2.088 . 9.297 . 0.510 0.000 5.504 13 . 15116 MYR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 15.613 . 3.507 . 9.835 . -0.335 0.000 6.779 14 . 15116 MYR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 16.815 . 4.232 . 9.253 . 0.585 0.000 8.001 15 . 15116 MYR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.118 . 5.584 . 9.876 . -0.259 0.000 9.277 16 . 15116 MYR HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 6.708 . 1.218 . 4.306 . 0.057 0.000 -8.970 17 . 15116 MYR H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 8.002 . -0.612 . 1.963 . -1.340 -0.890 -5.688 18 . 15116 MYR H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . 8.362 . 0.642 . 3.065 . -1.340 0.890 -5.688 19 . 15116 MYR H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 9.029 . -2.352 . 3.497 . 0.838 0.890 -4.503 20 . 15116 MYR H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 10.142 . -1.163 . 2.985 . 0.838 -0.890 -4.503 21 . 15116 MYR H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 9.731 . 0.137 . 5.219 . -1.265 -0.890 -3.190 22 . 15116 MYR H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 8.683 . -1.111 . 5.728 . -1.265 0.890 -3.190 23 . 15116 MYR H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 10.535 . -2.815 . 5.774 . 0.913 0.890 -2.006 24 . 15116 MYR H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 11.585 . -1.839 . 4.878 . 0.913 -0.890 -2.006 25 . 15116 MYR H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 10.940 . -0.032 . 6.985 . -1.189 -0.890 -0.693 26 . 15116 MYR H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 10.739 . -1.522 . 7.803 . -1.189 0.890 -0.693 27 . 15116 MYR H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . 13.057 . -2.010 . 7.835 . 0.988 0.890 0.490 28 . 15116 MYR H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . 13.326 . -1.510 . 6.245 . 0.988 -0.890 0.490 29 . 15116 MYR H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 13.781 . 0.756 . 6.846 . -1.114 -0.890 1.804 30 . 15116 MYR H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . 12.466 . 0.862 . 7.914 . -1.114 0.890 1.804 31 . 15116 MYR H91 H91 H91 1H9 . H . . N 0 . . . 1 no no . . . . 13.954 . -0.868 . 9.460 . 1.063 0.890 2.988 32 . 15116 MYR H92 H92 H92 2H9 . H . . N 0 . . . 1 no no . . . . 15.250 . -0.327 . 8.496 . 1.063 -0.890 2.988 33 . 15116 MYR H101 H101 H101 1H10 . H . . N 0 . . . 0 no no . . . . 13.424 . 1.861 . 9.678 . -1.039 -0.890 4.301 34 . 15116 MYR H102 H102 H102 2H10 . H . . N 0 . . . 0 no no . . . . 14.381 . 1.008 . 10.785 . -1.039 0.890 4.301 35 . 15116 MYR H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 16.503 . 1.549 . 9.571 . 1.139 0.890 5.485 36 . 15116 MYR H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 15.659 . 2.102 . 8.186 . 1.139 -0.890 5.485 37 . 15116 MYR H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 14.660 . 4.057 . 9.653 . -0.964 -0.890 6.798 38 . 15116 MYR H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . 15.603 . 3.535 . 10.949 . -0.964 0.890 6.798 39 . 15116 MYR H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . 17.716 . 3.577 . 9.298 . 1.214 0.890 7.982 40 . 15116 MYR H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . 16.703 . 4.334 . 8.148 . 1.214 -0.890 7.982 41 . 15116 MYR H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . 18.000 . 6.116 . 9.449 . 0.395 0.000 10.147 42 . 15116 MYR H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 16.216 . 6.238 . 9.830 . -0.889 0.890 9.296 43 . 15116 MYR H143 H143 H143 3H14 . H . . N 0 . . . 0 no no . . . . 17.229 . 5.481 . 10.980 . -0.889 -0.890 9.296 44 . 15116 MYR 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 . DOUB C1 O1 no N 1 . 15116 MYR 2 . SING C1 O2 no N 2 . 15116 MYR 3 . SING C1 C2 no N 3 . 15116 MYR 4 . SING O2 HO2 no N 4 . 15116 MYR 5 . SING C2 C3 no N 5 . 15116 MYR 6 . SING C2 H21 no N 6 . 15116 MYR 7 . SING C2 H22 no N 7 . 15116 MYR 8 . SING C3 C4 no N 8 . 15116 MYR 9 . SING C3 H31 no N 9 . 15116 MYR 10 . SING C3 H32 no N 10 . 15116 MYR 11 . SING C4 C5 no N 11 . 15116 MYR 12 . SING C4 H41 no N 12 . 15116 MYR 13 . SING C4 H42 no N 13 . 15116 MYR 14 . SING C5 C6 no N 14 . 15116 MYR 15 . SING C5 H51 no N 15 . 15116 MYR 16 . SING C5 H52 no N 16 . 15116 MYR 17 . SING C6 C7 no N 17 . 15116 MYR 18 . SING C6 H61 no N 18 . 15116 MYR 19 . SING C6 H62 no N 19 . 15116 MYR 20 . SING C7 C8 no N 20 . 15116 MYR 21 . SING C7 H71 no N 21 . 15116 MYR 22 . SING C7 H72 no N 22 . 15116 MYR 23 . SING C8 C9 no N 23 . 15116 MYR 24 . SING C8 H81 no N 24 . 15116 MYR 25 . SING C8 H82 no N 25 . 15116 MYR 26 . SING C9 C10 no N 26 . 15116 MYR 27 . SING C9 H91 no N 27 . 15116 MYR 28 . SING C9 H92 no N 28 . 15116 MYR 29 . SING C10 C11 no N 29 . 15116 MYR 30 . SING C10 H101 no N 30 . 15116 MYR 31 . SING C10 H102 no N 31 . 15116 MYR 32 . SING C11 C12 no N 32 . 15116 MYR 33 . SING C11 H111 no N 33 . 15116 MYR 34 . SING C11 H112 no N 34 . 15116 MYR 35 . SING C12 C13 no N 35 . 15116 MYR 36 . SING C12 H121 no N 36 . 15116 MYR 37 . SING C12 H122 no N 37 . 15116 MYR 38 . SING C13 C14 no N 38 . 15116 MYR 39 . SING C13 H131 no N 39 . 15116 MYR 40 . SING C13 H132 no N 40 . 15116 MYR 41 . SING C14 H141 no N 41 . 15116 MYR 42 . SING C14 H142 no N 42 . 15116 MYR 43 . SING C14 H143 no N 43 . 15116 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15116 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C, U-100% 15N] HIV-1 V7R-myrMA, 50 mM Sodium phosphate, 100 mM NaCl, 5 mM DTT, 90% H2O, 10% D2O' _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 V7R '[U-100% 13C; U-100% 15N]' . . 1 $Gag_polyprotein . . 1 . . mM . . . . 15116 1 2 'Sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15116 1 3 NaCL . . . . . . . 100 . . mM . . . . 15116 1 4 DTT . . . . . . . 5 . . mM . . . . 15116 1 5 D2O . . . . . . . 90 . . mM . . . . 15116 1 6 H2O . . . . . . . 10 . . mM . . . . 15116 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15116 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 15N] HIV-1 V7R-myrMA, 50 mM Sodium phosphate, 100 mM NaCl, 5 mM DTT, 90% H2O, 10% D2O' _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 V7R '[U-100% 15N]' . . 1 $Gag_polyprotein . . 1 . . mM . . . . 15116 2 2 'Sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15116 2 3 NaCL . . . . . . . 100 . . mM . . . . 15116 2 4 DTT . . . . . . . 5 . . mM . . . . 15116 2 5 D2O . . . . . . . 90 . . mM . . . . 15116 2 6 H2O . . . . . . . 10 . . mM . . . . 15116 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15116 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM HIV-1 V7R-myrMA, 50 mM Sodium phosphate, 100 mM NaCl, 5 mM DTT, 90% H2O, 10% D2O' _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 V7R 'natural abundance' . . 1 $Gag_polyprotein . . 1 . . mM . . . . 15116 3 2 'Sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15116 3 3 NaCL . . . . . . . 100 . . mM . . . . 15116 3 4 DTT . . . . . . . 5 . . mM . . . . 15116 3 5 D2O . . . . . . . 90 . . mM . . . . 15116 3 6 H2O . . . . . . . 10 . . mM . . . . 15116 3 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 15116 _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 pH 5.5 . pH 15116 1 pressure 1 . atm 15116 1 temperature 308 . K 15116 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15116 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15116 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15116 1 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 15116 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15116 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 15116 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 15116 1 2 spectrometer_2 Bruker DRX . 800 . . . 15116 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 15116 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 3 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 4 4D_13C/15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 5 4D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15116 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 15116 _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 external indirect 0.251449530 . . . . . . . . . 15116 1 H 1 water protons . . . . ppm 4.706 internal direct 1.0 . . . . . . . . . 15116 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15116 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 15116 _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 2 3D_15N-separated_NOESY . . . 15116 1 3 3D_13C-separated_NOESY . . . 15116 1 4 4D_13C/15N-separated_NOESY . . . 15116 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 . 2 2 1 1 MYR C14 C 13 15.978 0.05 . 1 . . . . 1 MYR C14 . 15116 1 2 . 2 2 1 1 MYR H141 H 1 0.480 0.02 . 1 . . . . 1 MYR H14 . 15116 1 3 . 2 2 1 1 MYR H142 H 1 0.480 0.02 . 1 . . . . 1 MYR H14 . 15116 1 4 . 2 2 1 1 MYR H143 H 1 0.480 0.02 . 1 . . . . 1 MYR H14 . 15116 1 5 . 2 2 1 1 MYR C13 C 13 24.302 0.05 . 1 . . . . 1 MYR C13 . 15116 1 6 . 2 2 1 1 MYR H131 H 1 0.931 0.02 . 1 . . . . 1 MYR H13 . 15116 1 7 . 2 2 1 1 MYR H132 H 1 0.931 0.02 . 1 . . . . 1 MYR H13 . 15116 1 8 . 2 2 1 1 MYR C12 C 13 33.665 0.05 . 1 . . . . 1 MYR C12 . 15116 1 9 . 2 2 1 1 MYR H121 H 1 1.030 0.02 . 1 . . . . 1 MYR H12 . 15116 1 10 . 2 2 1 1 MYR H122 H 1 1.030 0.02 . 1 . . . . 1 MYR H12 . 15116 1 11 . 2 2 1 1 MYR C11 C 13 31.432 0.05 . 1 . . . . 1 MYR C11 . 15116 1 12 . 2 2 1 1 MYR H111 H 1 1.050 0.02 . 1 . . . . 1 MYR H11 . 15116 1 13 . 2 2 1 1 MYR H112 H 1 1.050 0.02 . 1 . . . . 1 MYR H11 . 15116 1 14 . 2 2 1 1 MYR C10 C 13 31.432 0.05 . 1 . . . . 1 MYR C10 . 15116 1 15 . 2 2 1 1 MYR H101 H 1 1.050 0.02 . 1 . . . . 1 MYR H10 . 15116 1 16 . 2 2 1 1 MYR H102 H 1 1.050 0.02 . 1 . . . . 1 MYR H10 . 15116 1 17 . 2 2 1 1 MYR C9 C 13 31.432 0.05 . 1 . . . . 1 MYR C9 . 15116 1 18 . 2 2 1 1 MYR H91 H 1 1.050 0.02 . 1 . . . . 1 MYR H9 . 15116 1 19 . 2 2 1 1 MYR H92 H 1 1.050 0.02 . 1 . . . . 1 MYR H9 . 15116 1 20 . 2 2 1 1 MYR C8 C 13 31.432 0.05 . 1 . . . . 1 MYR C8 . 15116 1 21 . 2 2 1 1 MYR H81 H 1 1.050 0.02 . 1 . . . . 1 MYR H8 . 15116 1 22 . 2 2 1 1 MYR H82 H 1 1.050 0.02 . 1 . . . . 1 MYR H8 . 15116 1 23 . 2 2 1 1 MYR C7 C 13 31.432 0.05 . 1 . . . . 1 MYR C7 . 15116 1 24 . 2 2 1 1 MYR H71 H 1 1.050 0.02 . 1 . . . . 1 MYR H7 . 15116 1 25 . 2 2 1 1 MYR H72 H 1 1.050 0.02 . 1 . . . . 1 MYR H7 . 15116 1 26 . 2 2 1 1 MYR C6 C 13 31.432 0.05 . 1 . . . . 1 MYR C6 . 15116 1 27 . 2 2 1 1 MYR H61 H 1 1.050 0.02 . 1 . . . . 1 MYR H6 . 15116 1 28 . 2 2 1 1 MYR H62 H 1 1.050 0.02 . 1 . . . . 1 MYR H6 . 15116 1 29 . 2 2 1 1 MYR C5 C 13 31.432 0.05 . 1 . . . . 1 MYR C5 . 15116 1 30 . 2 2 1 1 MYR H51 H 1 1.050 0.02 . 1 . . . . 1 MYR H5 . 15116 1 31 . 2 2 1 1 MYR H52 H 1 1.050 0.02 . 1 . . . . 1 MYR H5 . 15116 1 32 . 2 2 1 1 MYR C4 C 13 31.100 0.05 . 1 . . . . 1 MYR C4 . 15116 1 33 . 2 2 1 1 MYR H41 H 1 1.091 0.02 . 1 . . . . 1 MYR H4 . 15116 1 34 . 2 2 1 1 MYR H42 H 1 1.091 0.02 . 1 . . . . 1 MYR H4 . 15116 1 35 . 2 2 1 1 MYR C3 C 13 27.350 0.05 . 1 . . . . 1 MYR C3 . 15116 1 36 . 2 2 1 1 MYR H31 H 1 1.401 0.02 . 1 . . . . 1 MYR H3 . 15116 1 37 . 2 2 1 1 MYR H32 H 1 1.401 0.02 . 1 . . . . 1 MYR H3 . 15116 1 38 . 2 2 1 1 MYR C2 C 13 37.355 0.05 . 1 . . . . 1 MYR C2 . 15116 1 39 . 2 2 1 1 MYR H21 H 1 2.146 0.02 . 1 . . . . 1 MYR H2 . 15116 1 40 . 2 2 1 1 MYR H22 H 1 2.146 0.02 . 1 . . . . 1 MYR H2 . 15116 1 41 . 1 1 1 1 GLY N N 15 113.250 0.05 . 1 . . . . 2 GLY N . 15116 1 42 . 1 1 1 1 GLY CA C 13 43.854 0.05 . 1 . . . . 2 GLY CA . 15116 1 43 . 1 1 1 1 GLY HA2 H 1 3.999 0.02 . 2 . . . . 2 GLY HA2 . 15116 1 44 . 1 1 1 1 GLY HA3 H 1 3.750 0.02 . 2 . . . . 2 GLY HA3 . 15116 1 45 . 1 1 2 2 ALA N N 15 126.375 0.05 . 1 . . . . 3 ALA N . 15116 1 46 . 1 1 2 2 ALA H H 1 8.730 0.02 . 1 . . . . 3 ALA HN . 15116 1 47 . 1 1 2 2 ALA CA C 13 51.390 0.05 . 1 . . . . 3 ALA CA . 15116 1 48 . 1 1 2 2 ALA HA H 1 4.210 0.02 . 1 . . . . 3 ALA HA . 15116 1 49 . 1 1 2 2 ALA CB C 13 15.747 0.05 . 1 . . . . 3 ALA CB . 15116 1 50 . 1 1 2 2 ALA HB1 H 1 1.409 0.02 . 1 . . . . 3 ALA HB1 . 15116 1 51 . 1 1 2 2 ALA HB2 H 1 1.409 0.02 . 1 . . . . 3 ALA HB1 . 15116 1 52 . 1 1 2 2 ALA HB3 H 1 1.409 0.02 . 1 . . . . 3 ALA HB1 . 15116 1 53 . 1 1 3 3 ARG N N 15 117.000 0.05 . 1 . . . . 4 ARG N . 15116 1 54 . 1 1 3 3 ARG H H 1 7.978 0.02 . 1 . . . . 4 ARG HN . 15116 1 55 . 1 1 3 3 ARG CA C 13 55.172 0.05 . 1 . . . . 4 ARG CA . 15116 1 56 . 1 1 3 3 ARG HA H 1 4.071 0.02 . 1 . . . . 4 ARG HA . 15116 1 57 . 1 1 3 3 ARG CB C 13 27.292 0.05 . 1 . . . . 4 ARG CB . 15116 1 58 . 1 1 3 3 ARG HB2 H 1 1.898 0.02 . 2 . . . . 4 ARG HB2 . 15116 1 59 . 1 1 3 3 ARG HB3 H 1 1.765 0.02 . 2 . . . . 4 ARG HB3 . 15116 1 60 . 1 1 3 3 ARG CG C 13 25.052 0.05 . 1 . . . . 4 ARG CG . 15116 1 61 . 1 1 3 3 ARG HG2 H 1 1.640 0.02 . 2 . . . . 4 ARG HG2 . 15116 1 62 . 1 1 4 4 ALA N N 15 120.125 0.05 . 1 . . . . 5 ALA N . 15116 1 63 . 1 1 4 4 ALA H H 1 7.860 0.02 . 1 . . . . 5 ALA HN . 15116 1 64 . 1 1 4 4 ALA CA C 13 51.067 0.05 . 1 . . . . 5 ALA CA . 15116 1 65 . 1 1 4 4 ALA HA H 1 4.074 0.02 . 1 . . . . 5 ALA HA . 15116 1 66 . 1 1 4 4 ALA CB C 13 15.734 0.05 . 1 . . . . 5 ALA CB . 15116 1 67 . 1 1 4 4 ALA HB1 H 1 1.358 0.02 . 1 . . . . 5 ALA HB1 . 15116 1 68 . 1 1 4 4 ALA HB2 H 1 1.358 0.02 . 1 . . . . 5 ALA HB1 . 15116 1 69 . 1 1 4 4 ALA HB3 H 1 1.358 0.02 . 1 . . . . 5 ALA HB1 . 15116 1 70 . 1 1 5 5 SER N N 15 112.677 0.05 . 1 . . . . 6 SER N . 15116 1 71 . 1 1 5 5 SER H H 1 7.796 0.02 . 1 . . . . 6 SER HN . 15116 1 72 . 1 1 5 5 SER CA C 13 56.839 0.05 . 1 . . . . 6 SER CA . 15116 1 73 . 1 1 5 5 SER HA H 1 4.173 0.02 . 1 . . . . 6 SER HA . 15116 1 74 . 1 1 5 5 SER CB C 13 62.287 0.05 . 1 . . . . 6 SER CB . 15116 1 75 . 1 1 5 5 SER HB2 H 1 3.888 0.02 . 2 . . . . 6 SER HB2 . 15116 1 76 . 1 1 6 6 ARG N N 15 119.812 0.05 . 1 . . . . 7 ARG N . 15116 1 77 . 1 1 6 6 ARG H H 1 7.652 0.02 . 1 . . . . 7 ARG HN . 15116 1 78 . 1 1 6 6 ARG CA C 13 53.254 0.05 . 1 . . . . 7 ARG CA . 15116 1 79 . 1 1 6 6 ARG HA H 1 4.367 0.02 . 1 . . . . 7 ARG HA . 15116 1 80 . 1 1 6 6 ARG CB C 13 27.580 0.05 . 1 . . . . 7 ARG CB . 15116 1 81 . 1 1 6 6 ARG HB2 H 1 1.852 0.02 . 2 . . . . 7 ARG HB2 . 15116 1 82 . 1 1 6 6 ARG HB3 H 1 1.872 0.02 . 2 . . . . 7 ARG HB3 . 15116 1 83 . 1 1 6 6 ARG CG C 13 24.617 0.05 . 1 . . . . 7 ARG CG . 15116 1 84 . 1 1 6 6 ARG HG2 H 1 1.636 0.02 . 2 . . . . 7 ARG HG2 . 15116 1 85 . 1 1 6 6 ARG CD C 13 40.640 0.05 . 1 . . . . 7 ARG CD . 15116 1 86 . 1 1 6 6 ARG HD2 H 1 3.108 0.02 . 1 . . . . 7 ARG HD2 . 15116 1 87 . 1 1 6 6 ARG HD3 H 1 3.129 0.02 . 1 . . . . 7 ARG HD3 . 15116 1 88 . 1 1 7 7 LEU N N 15 120.750 0.05 . 1 . . . . 8 LEU N . 15116 1 89 . 1 1 7 7 LEU H H 1 7.477 0.02 . 1 . . . . 8 LEU HN . 15116 1 90 . 1 1 7 7 LEU CA C 13 52.780 0.05 . 1 . . . . 8 LEU CA . 15116 1 91 . 1 1 7 7 LEU HA H 1 4.351 0.02 . 1 . . . . 8 LEU HA . 15116 1 92 . 1 1 7 7 LEU CB C 13 39.551 0.05 . 1 . . . . 8 LEU CB . 15116 1 93 . 1 1 7 7 LEU HB2 H 1 1.679 0.02 . 1 . . . . 8 LEU HB2 . 15116 1 94 . 1 1 7 7 LEU HB3 H 1 1.450 0.02 . 1 . . . . 8 LEU HB3 . 15116 1 95 . 1 1 7 7 LEU CG C 13 24.402 0.05 . 1 . . . . 8 LEU CG . 15116 1 96 . 1 1 7 7 LEU HG H 1 1.658 0.02 . 1 . . . . 8 LEU HG . 15116 1 97 . 1 1 7 7 LEU CD1 C 13 21.363 0.05 . 1 . . . . 8 LEU CD1 . 15116 1 98 . 1 1 7 7 LEU HD11 H 1 0.767 0.02 . 1 . . . . 8 LEU HD1 . 15116 1 99 . 1 1 7 7 LEU HD12 H 1 0.767 0.02 . 1 . . . . 8 LEU HD1 . 15116 1 100 . 1 1 7 7 LEU HD13 H 1 0.767 0.02 . 1 . . . . 8 LEU HD1 . 15116 1 101 . 1 1 7 7 LEU CD2 C 13 21.363 0.05 . 1 . . . . 8 LEU CD2 . 15116 1 102 . 1 1 7 7 LEU HD21 H 1 0.767 0.02 . 1 . . . . 8 LEU HD2 . 15116 1 103 . 1 1 7 7 LEU HD22 H 1 0.767 0.02 . 1 . . . . 8 LEU HD2 . 15116 1 104 . 1 1 7 7 LEU HD23 H 1 0.767 0.02 . 1 . . . . 8 LEU HD2 . 15116 1 105 . 1 1 8 8 SER N N 15 1.679 0.05 . 1 . . . . 9 SER N . 15116 1 106 . 1 1 8 8 SER H H 1 1.450 0.02 . 1 . . . . 9 SER HN . 15116 1 107 . 1 1 8 8 SER CA C 13 24.402 0.05 . 1 . . . . 9 SER CA . 15116 1 108 . 1 1 8 8 SER HA H 1 1.658 0.02 . 1 . . . . 9 SER HA . 15116 1 109 . 1 1 8 8 SER CB C 13 21.363 0.05 . 1 . . . . 9 SER CB . 15116 1 110 . 1 1 8 8 SER HB2 H 1 0.767 0.02 . 2 . . . . 9 SER HB2 . 15116 1 111 . 1 1 9 9 GLY N N 15 21.363 0.05 . 1 . . . . 10 GLY N . 15116 1 112 . 1 1 9 9 GLY H H 1 0.767 0.02 . 1 . . . . 10 GLY HN . 15116 1 113 . 1 1 9 9 GLY CA C 13 43.903 0.05 . 1 . . . . 10 GLY CA . 15116 1 114 . 1 1 9 9 GLY HA2 H 1 4.053 0.02 . 2 . . . . 10 GLY HA2 . 15116 1 115 . 1 1 9 9 GLY HA3 H 1 4.164 0.02 . 2 . . . . 10 GLY HA3 . 15116 1 116 . 1 1 10 10 GLY N N 15 108.641 0.05 . 1 . . . . 11 GLY N . 15116 1 117 . 1 1 10 10 GLY H H 1 8.524 0.02 . 1 . . . . 11 GLY HN . 15116 1 118 . 1 1 10 10 GLY CA C 13 43.907 0.05 . 1 . . . . 11 GLY CA . 15116 1 119 . 1 1 10 10 GLY HA2 H 1 3.890 0.02 . 2 . . . . 11 GLY HA2 . 15116 1 120 . 1 1 10 10 GLY HA3 H 1 4.154 0.02 . 2 . . . . 11 GLY HA3 . 15116 1 121 . 1 1 11 11 GLU N N 15 121.062 0.05 . 1 . . . . 12 GLU N . 15116 1 122 . 1 1 11 11 GLU H H 1 8.347 0.02 . 1 . . . . 12 GLU HN . 15116 1 123 . 1 1 11 11 GLU CA C 13 56.833 0.05 . 1 . . . . 12 GLU CA . 15116 1 124 . 1 1 11 11 GLU HA H 1 4.046 0.02 . 1 . . . . 12 GLU HA . 15116 1 125 . 1 1 11 11 GLU CB C 13 27.007 0.05 . 1 . . . . 12 GLU CB . 15116 1 126 . 1 1 11 11 GLU HB2 H 1 1.993 0.02 . 2 . . . . 12 GLU HB2 . 15116 1 127 . 1 1 11 11 GLU CG C 13 34.520 0.05 . 1 . . . . 12 GLU CG . 15116 1 128 . 1 1 11 11 GLU HG2 H 1 2.336 0.02 . 2 . . . . 12 GLU HG2 . 15116 1 129 . 1 1 12 12 LEU N N 15 119.812 0.05 . 1 . . . . 13 LEU N . 15116 1 130 . 1 1 12 12 LEU H H 1 7.934 0.02 . 1 . . . . 13 LEU HN . 15116 1 131 . 1 1 12 12 LEU CA C 13 54.521 0.05 . 1 . . . . 13 LEU CA . 15116 1 132 . 1 1 12 12 LEU HA H 1 4.155 0.02 . 1 . . . . 13 LEU HA . 15116 1 133 . 1 1 12 12 LEU CB C 13 38.515 0.05 . 1 . . . . 13 LEU CB . 15116 1 134 . 1 1 12 12 LEU HB2 H 1 1.436 0.02 . 2 . . . . 13 LEU HB2 . 15116 1 135 . 1 1 12 12 LEU HB3 H 1 1.865 0.02 . 2 . . . . 13 LEU HB3 . 15116 1 136 . 1 1 12 12 LEU CG C 13 24.484 0.05 . 1 . . . . 13 LEU CG . 15116 1 137 . 1 1 12 12 LEU HG H 1 1.739 0.02 . 1 . . . . 13 LEU HG . 15116 1 138 . 1 1 12 12 LEU CD1 C 13 21.905 0.05 . 1 . . . . 13 LEU CD1 . 15116 1 139 . 1 1 12 12 LEU HD11 H 1 0.905 0.02 . 1 . . . . 13 LEU HD1 . 15116 1 140 . 1 1 12 12 LEU HD12 H 1 0.905 0.02 . 1 . . . . 13 LEU HD1 . 15116 1 141 . 1 1 12 12 LEU HD13 H 1 0.905 0.02 . 1 . . . . 13 LEU HD1 . 15116 1 142 . 1 1 12 12 LEU CD2 C 13 21.905 0.05 . 1 . . . . 13 LEU CD2 . 15116 1 143 . 1 1 12 12 LEU HD21 H 1 0.905 0.02 . 1 . . . . 13 LEU HD2 . 15116 1 144 . 1 1 12 12 LEU HD22 H 1 0.905 0.02 . 1 . . . . 13 LEU HD2 . 15116 1 145 . 1 1 12 12 LEU HD23 H 1 0.905 0.02 . 1 . . . . 13 LEU HD2 . 15116 1 146 . 1 1 13 13 ASP N N 15 117.312 0.05 . 1 . . . . 14 ASP N . 15116 1 147 . 1 1 13 13 ASP H H 1 7.816 0.02 . 1 . . . . 14 ASP HN . 15116 1 148 . 1 1 13 13 ASP CA C 13 54.467 0.05 . 1 . . . . 14 ASP CA . 15116 1 149 . 1 1 13 13 ASP HA H 1 4.322 0.02 . 1 . . . . 14 ASP HA . 15116 1 150 . 1 1 13 13 ASP CB C 13 38.260 0.05 . 1 . . . . 14 ASP CB . 15116 1 151 . 1 1 13 13 ASP HB2 H 1 2.704 0.02 . 2 . . . . 14 ASP HB2 . 15116 1 152 . 1 1 14 14 LYS N N 15 116.062 0.05 . 1 . . . . 15 LYS N . 15116 1 153 . 1 1 14 14 LYS H H 1 7.344 0.02 . 1 . . . . 15 LYS HN . 15116 1 154 . 1 1 14 14 LYS CA C 13 56.273 0.05 . 1 . . . . 15 LYS CA . 15116 1 155 . 1 1 14 14 LYS HA H 1 4.024 0.02 . 1 . . . . 15 LYS HA . 15116 1 156 . 1 1 14 14 LYS CB C 13 29.846 0.05 . 1 . . . . 15 LYS CB . 15116 1 157 . 1 1 14 14 LYS HB2 H 1 2.093 0.02 . 2 . . . . 15 LYS HB2 . 15116 1 158 . 1 1 14 14 LYS CG C 13 22.716 0.05 . 1 . . . . 15 LYS CG . 15116 1 159 . 1 1 14 14 LYS HG2 H 1 1.535 0.02 . 2 . . . . 15 LYS HG2 . 15116 1 160 . 1 1 14 14 LYS CD C 13 26.417 0.05 . 1 . . . . 15 LYS CD . 15116 1 161 . 1 1 14 14 LYS HD2 H 1 1.689 0.02 . 2 . . . . 15 LYS HD2 . 15116 1 162 . 1 1 15 15 TRP N N 15 121.062 0.05 . 1 . . . . 16 TRP N . 15116 1 163 . 1 1 15 15 TRP H H 1 8.096 0.02 . 1 . . . . 16 TRP HN . 15116 1 164 . 1 1 15 15 TRP CA C 13 56.986 0.05 . 1 . . . . 16 TRP CA . 15116 1 165 . 1 1 15 15 TRP HA H 1 4.121 0.02 . 1 . . . . 16 TRP HA . 15116 1 166 . 1 1 15 15 TRP CB C 13 28.280 0.05 . 1 . . . . 16 TRP CB . 15116 1 167 . 1 1 15 15 TRP HB2 H 1 3.164 0.02 . 2 . . . . 16 TRP HB2 . 15116 1 168 . 1 1 15 15 TRP HB3 H 1 3.574 0.02 . 2 . . . . 16 TRP HB3 . 15116 1 169 . 1 1 15 15 TRP CD1 C 13 121.369 0.05 . 1 . . . . 16 TRP CD1 . 15116 1 170 . 1 1 15 15 TRP HD1 H 1 6.602 0.02 . 1 . . . . 16 TRP HD1 . 15116 1 171 . 1 1 15 15 TRP NE1 N 15 126.688 0.05 . 1 . . . . 16 TRP NE1 . 15116 1 172 . 1 1 15 15 TRP HE1 H 1 9.349 0.02 . 1 . . . . 16 TRP HE1 . 15116 1 173 . 1 1 15 15 TRP CZ2 C 13 111.378 0.05 . 1 . . . . 16 TRP CZ2 . 15116 1 174 . 1 1 15 15 TRP HZ2 H 1 7.091 0.02 . 1 . . . . 16 TRP HZ2 . 15116 1 175 . 1 1 15 15 TRP CZ3 C 13 119.509 0.05 . 1 . . . . 16 TRP CZ3 . 15116 1 176 . 1 1 15 15 TRP HZ3 H 1 6.411 0.02 . 1 . . . . 16 TRP HZ3 . 15116 1 177 . 1 1 15 15 TRP CE3 C 13 116.814 0.05 . 1 . . . . 16 TRP CE3 . 15116 1 178 . 1 1 15 15 TRP HE3 H 1 7.106 0.02 . 1 . . . . 16 TRP HE3 . 15116 1 179 . 1 1 16 16 GLU N N 15 128.250 0.05 . 1 . . . . 17 GLU N . 15116 1 180 . 1 1 16 16 GLU H H 1 7.698 0.02 . 1 . . . . 17 GLU HN . 15116 1 181 . 1 1 16 16 GLU CA C 13 54.180 0.05 . 1 . . . . 17 GLU CA . 15116 1 182 . 1 1 16 16 GLU HA H 1 4.694 0.02 . 1 . . . . 17 GLU HA . 15116 1 183 . 1 1 16 16 GLU CB C 13 27.040 0.05 . 1 . . . . 17 GLU CB . 15116 1 184 . 1 1 16 16 GLU HB2 H 1 2.260 0.02 . 2 . . . . 17 GLU HB2 . 15116 1 185 . 1 1 16 16 GLU CG C 13 35.744 0.05 . 1 . . . . 17 GLU CG . 15116 1 186 . 1 1 16 16 GLU HG2 H 1 2.931 0.02 . 2 . . . . 17 GLU HG2 . 15116 1 187 . 1 1 17 17 LYS N N 15 115.438 0.05 . 1 . . . . 18 LYS N . 15116 1 188 . 1 1 17 17 LYS H H 1 7.271 0.02 . 1 . . . . 18 LYS HN . 15116 1 189 . 1 1 17 17 LYS CA C 13 53.274 0.05 . 1 . . . . 18 LYS CA . 15116 1 190 . 1 1 17 17 LYS HA H 1 4.408 0.02 . 1 . . . . 18 LYS HA . 15116 1 191 . 1 1 17 17 LYS CB C 13 30.992 0.05 . 1 . . . . 18 LYS CB . 15116 1 192 . 1 1 17 17 LYS HB2 H 1 2.014 0.02 . 2 . . . . 18 LYS HB2 . 15116 1 193 . 1 1 17 17 LYS CG C 13 22.731 0.05 . 1 . . . . 18 LYS CG . 15116 1 194 . 1 1 17 17 LYS HG2 H 1 1.590 0.02 . 2 . . . . 18 LYS HG2 . 15116 1 195 . 1 1 17 17 LYS CD C 13 26.364 0.05 . 1 . . . . 18 LYS CD . 15116 1 196 . 1 1 17 17 LYS HD2 H 1 1.648 0.02 . 2 . . . . 18 LYS HD2 . 15116 1 197 . 1 1 17 17 LYS CE C 13 39.434 0.05 . 1 . . . . 18 LYS CE . 15116 1 198 . 1 1 17 17 LYS HE2 H 1 2.951 0.02 . 2 . . . . 18 LYS HE2 . 15116 1 199 . 1 1 18 18 ILE N N 15 123.875 0.05 . 1 . . . . 19 ILE N . 15116 1 200 . 1 1 18 18 ILE H H 1 7.610 0.02 . 1 . . . . 19 ILE HN . 15116 1 201 . 1 1 18 18 ILE CA C 13 60.408 0.05 . 1 . . . . 19 ILE CA . 15116 1 202 . 1 1 18 18 ILE HA H 1 3.543 0.02 . 1 . . . . 19 ILE HA . 15116 1 203 . 1 1 18 18 ILE CB C 13 35.352 0.05 . 1 . . . . 19 ILE CB . 15116 1 204 . 1 1 18 18 ILE HB H 1 1.570 0.02 . 1 . . . . 19 ILE HB . 15116 1 205 . 1 1 18 18 ILE CG1 C 13 25.140 0.05 . 1 . . . . 19 ILE CG1 . 15116 1 206 . 1 1 18 18 ILE HG12 H 1 1.883 0.02 . 9 . . . . 19 ILE HG12 . 15116 1 207 . 1 1 18 18 ILE HG13 H 1 0.813 0.02 . 9 . . . . 19 ILE HG13 . 15116 1 208 . 1 1 18 18 ILE CD1 C 13 12.022 0.05 . 1 . . . . 19 ILE CD1 . 15116 1 209 . 1 1 18 18 ILE HD11 H 1 0.462 0.02 . 1 . . . . 19 ILE HD1 . 15116 1 210 . 1 1 18 18 ILE HD12 H 1 0.462 0.02 . 1 . . . . 19 ILE HD1 . 15116 1 211 . 1 1 18 18 ILE HD13 H 1 0.462 0.02 . 1 . . . . 19 ILE HD1 . 15116 1 212 . 1 1 18 18 ILE CG2 C 13 13.848 0.05 . 1 . . . . 19 ILE CG2 . 15116 1 213 . 1 1 18 18 ILE HG21 H 1 0.497 0.02 . 1 . . . . 19 ILE HG2 . 15116 1 214 . 1 1 18 18 ILE HG22 H 1 0.497 0.02 . 1 . . . . 19 ILE HG2 . 15116 1 215 . 1 1 18 18 ILE HG23 H 1 0.497 0.02 . 1 . . . . 19 ILE HG2 . 15116 1 216 . 1 1 19 19 ARG N N 15 125.750 0.05 . 1 . . . . 20 ARG N . 15116 1 217 . 1 1 19 19 ARG H H 1 8.022 0.02 . 1 . . . . 20 ARG HN . 15116 1 218 . 1 1 19 19 ARG CA C 13 53.702 0.05 . 1 . . . . 20 ARG CA . 15116 1 219 . 1 1 19 19 ARG HA H 1 4.426 0.02 . 1 . . . . 20 ARG HA . 15116 1 220 . 1 1 19 19 ARG CB C 13 28.846 0.05 . 1 . . . . 20 ARG CB . 15116 1 221 . 1 1 19 19 ARG HB2 H 1 1.987 0.02 . 2 . . . . 20 ARG HB2 . 15116 1 222 . 1 1 19 19 ARG HB3 H 1 1.767 0.02 . 2 . . . . 20 ARG HB3 . 15116 1 223 . 1 1 19 19 ARG CG C 13 26.103 0.05 . 1 . . . . 20 ARG CG . 15116 1 224 . 1 1 19 19 ARG HG2 H 1 1.836 0.02 . 2 . . . . 20 ARG HG2 . 15116 1 225 . 1 1 19 19 ARG HG3 H 1 1.692 0.02 . 2 . . . . 20 ARG HG3 . 15116 1 226 . 1 1 20 20 LEU N N 15 120.438 0.05 . 1 . . . . 21 LEU N . 15116 1 227 . 1 1 20 20 LEU H H 1 7.772 0.02 . 1 . . . . 21 LEU HN . 15116 1 228 . 1 1 20 20 LEU CA C 13 55.726 0.05 . 1 . . . . 21 LEU CA . 15116 1 229 . 1 1 20 20 LEU HA H 1 3.415 0.02 . 1 . . . . 21 LEU HA . 15116 1 230 . 1 1 20 20 LEU CB C 13 38.810 0.05 . 1 . . . . 21 LEU CB . 15116 1 231 . 1 1 20 20 LEU HB2 H 1 1.386 0.02 . 2 . . . . 21 LEU HB2 . 15116 1 232 . 1 1 20 20 LEU HB3 H 1 1.277 0.02 . 2 . . . . 21 LEU HB3 . 15116 1 233 . 1 1 20 20 LEU CG C 13 25.500 0.05 . 1 . . . . 21 LEU CG . 15116 1 234 . 1 1 20 20 LEU HG H 1 0.726 0.02 . 1 . . . . 21 LEU HG . 15116 1 235 . 1 1 20 20 LEU CD1 C 13 22.228 0.05 . 1 . . . . 21 LEU CD1 . 15116 1 236 . 1 1 20 20 LEU HD11 H 1 0.235 0.02 . 1 . . . . 21 LEU HD1 . 15116 1 237 . 1 1 20 20 LEU HD12 H 1 0.235 0.02 . 1 . . . . 21 LEU HD1 . 15116 1 238 . 1 1 20 20 LEU HD13 H 1 0.235 0.02 . 1 . . . . 21 LEU HD1 . 15116 1 239 . 1 1 20 20 LEU CD2 C 13 18.921 0.05 . 1 . . . . 21 LEU CD2 . 15116 1 240 . 1 1 20 20 LEU HD21 H 1 -0.366 0.02 . 1 . . . . 21 LEU HD2 . 15116 1 241 . 1 1 20 20 LEU HD22 H 1 -0.366 0.02 . 1 . . . . 21 LEU HD2 . 15116 1 242 . 1 1 20 20 LEU HD23 H 1 -0.366 0.02 . 1 . . . . 21 LEU HD2 . 15116 1 243 . 1 1 21 21 ARG N N 15 119.500 0.05 . 1 . . . . 22 ARG N . 15116 1 244 . 1 1 21 21 ARG H H 1 8.951 0.02 . 1 . . . . 22 ARG HN . 15116 1 245 . 1 1 21 21 ARG CA C 13 51.025 0.05 . 1 . . . . 22 ARG CA . 15116 1 246 . 1 1 21 21 ARG HA H 1 4.821 0.02 . 1 . . . . 22 ARG HA . 15116 1 247 . 1 1 21 21 ARG CB C 13 29.005 0.05 . 1 . . . . 22 ARG CB . 15116 1 248 . 1 1 21 21 ARG HB2 H 1 1.691 0.02 . 2 . . . . 22 ARG HB2 . 15116 1 249 . 1 1 21 21 ARG HB3 H 1 2.000 0.02 . 2 . . . . 22 ARG HB3 . 15116 1 250 . 1 1 21 21 ARG CG C 13 23.876 0.05 . 1 . . . . 22 ARG CG . 15116 1 251 . 1 1 21 21 ARG HG2 H 1 1.518 0.02 . 2 . . . . 22 ARG HG2 . 15116 1 252 . 1 1 21 21 ARG HG3 H 1 1.368 0.02 . 2 . . . . 22 ARG HG3 . 15116 1 253 . 1 1 21 21 ARG CD C 13 40.899 0.05 . 1 . . . . 22 ARG CD . 15116 1 254 . 1 1 21 21 ARG HD2 H 1 3.280 0.02 . 2 . . . . 22 ARG HD2 . 15116 1 255 . 1 1 22 22 PRO CA C 13 60.710 0.05 . 1 . . . . 23 PRO CA . 15116 1 256 . 1 1 22 22 PRO HA H 1 4.372 0.02 . 1 . . . . 23 PRO HA . 15116 1 257 . 1 1 22 22 PRO CB C 13 28.750 0.05 . 1 . . . . 23 PRO CB . 15116 1 258 . 1 1 22 22 PRO HB2 H 1 1.941 0.02 . 2 . . . . 23 PRO HB2 . 15116 1 259 . 1 1 22 22 PRO HB3 H 1 2.234 0.02 . 2 . . . . 23 PRO HB3 . 15116 1 260 . 1 1 22 22 PRO CG C 13 25.449 0.05 . 1 . . . . 23 PRO CG . 15116 1 261 . 1 1 22 22 PRO HG2 H 1 2.100 0.02 . 2 . . . . 23 PRO HG2 . 15116 1 262 . 1 1 22 22 PRO CD C 13 47.716 0.05 . 1 . . . . 23 PRO CD . 15116 1 263 . 1 1 22 22 PRO HD2 H 1 3.619 0.02 . 2 . . . . 23 PRO HD2 . 15116 1 264 . 1 1 23 23 GLY N N 15 112.625 0.05 . 1 . . . . 24 GLY N . 15116 1 265 . 1 1 23 23 GLY H H 1 9.128 0.02 . 1 . . . . 24 GLY HN . 15116 1 266 . 1 1 23 23 GLY CA C 13 43.437 0.05 . 1 . . . . 24 GLY CA . 15116 1 267 . 1 1 23 23 GLY HA2 H 1 4.066 0.02 . 2 . . . . 24 GLY HA2 . 15116 1 268 . 1 1 23 23 GLY HA3 H 1 3.687 0.02 . 2 . . . . 24 GLY HA3 . 15116 1 269 . 1 1 24 24 GLY N N 15 107.938 0.05 . 1 . . . . 25 GLY N . 15116 1 270 . 1 1 24 24 GLY H H 1 8.126 0.02 . 1 . . . . 25 GLY HN . 15116 1 271 . 1 1 24 24 GLY CA C 13 41.840 0.05 . 1 . . . . 25 GLY CA . 15116 1 272 . 1 1 24 24 GLY HA2 H 1 4.183 0.02 . 2 . . . . 25 GLY HA2 . 15116 1 273 . 1 1 24 24 GLY HA3 H 1 4.119 0.02 . 2 . . . . 25 GLY HA3 . 15116 1 274 . 1 1 25 25 LYS N N 15 117.625 0.05 . 1 . . . . 26 LYS N . 15116 1 275 . 1 1 25 25 LYS H H 1 8.450 0.02 . 1 . . . . 26 LYS HN . 15116 1 276 . 1 1 25 25 LYS CA C 13 56.591 0.05 . 1 . . . . 26 LYS CA . 15116 1 277 . 1 1 25 25 LYS HA H 1 4.276 0.02 . 1 . . . . 26 LYS HA . 15116 1 278 . 1 1 25 25 LYS CB C 13 31.335 0.05 . 1 . . . . 26 LYS CB . 15116 1 279 . 1 1 25 25 LYS HB2 H 1 1.834 0.02 . 2 . . . . 26 LYS HB2 . 15116 1 280 . 1 1 25 25 LYS CG C 13 23.191 0.05 . 1 . . . . 26 LYS CG . 15116 1 281 . 1 1 25 25 LYS HG2 H 1 1.461 0.02 . 2 . . . . 26 LYS HG2 . 15116 1 282 . 1 1 25 25 LYS CD C 13 26.380 0.05 . 1 . . . . 26 LYS CD . 15116 1 283 . 1 1 25 25 LYS HD2 H 1 1.683 0.02 . 2 . . . . 26 LYS HD2 . 15116 1 284 . 1 1 26 26 LYS N N 15 117.625 0.05 . 1 . . . . 27 LYS N . 15116 1 285 . 1 1 26 26 LYS H H 1 7.683 0.02 . 1 . . . . 27 LYS HN . 15116 1 286 . 1 1 26 26 LYS CA C 13 54.505 0.05 . 1 . . . . 27 LYS CA . 15116 1 287 . 1 1 26 26 LYS HA H 1 4.357 0.02 . 1 . . . . 27 LYS HA . 15116 1 288 . 1 1 26 26 LYS CB C 13 31.077 0.05 . 1 . . . . 27 LYS CB . 15116 1 289 . 1 1 26 26 LYS HB2 H 1 1.839 0.02 . 2 . . . . 27 LYS HB2 . 15116 1 290 . 1 1 26 26 LYS CG C 13 23.107 0.05 . 1 . . . . 27 LYS CG . 15116 1 291 . 1 1 26 26 LYS HG2 H 1 1.528 0.02 . 2 . . . . 27 LYS HG2 . 15116 1 292 . 1 1 26 26 LYS CD C 13 26.411 0.05 . 1 . . . . 27 LYS CD . 15116 1 293 . 1 1 26 26 LYS HD2 H 1 1.638 0.02 . 2 . . . . 27 LYS HD2 . 15116 1 294 . 1 1 26 26 LYS CE C 13 39.552 0.05 . 1 . . . . 27 LYS CE . 15116 1 295 . 1 1 26 26 LYS HE2 H 1 3.016 0.02 . 2 . . . . 27 LYS HE2 . 15116 1 296 . 1 1 27 27 GLN N N 15 122.938 0.05 . 1 . . . . 28 GLN N . 15116 1 297 . 1 1 27 27 GLN H H 1 8.435 0.02 . 1 . . . . 28 GLN HN . 15116 1 298 . 1 1 27 27 GLN CA C 13 51.890 0.05 . 1 . . . . 28 GLN CA . 15116 1 299 . 1 1 27 27 GLN HA H 1 4.801 0.02 . 1 . . . . 28 GLN HA . 15116 1 300 . 1 1 27 27 GLN CB C 13 30.896 0.05 . 1 . . . . 28 GLN CB . 15116 1 301 . 1 1 27 27 GLN HB2 H 1 1.911 0.02 . 2 . . . . 28 GLN HB2 . 15116 1 302 . 1 1 27 27 GLN HB3 H 1 1.798 0.02 . 2 . . . . 28 GLN HB3 . 15116 1 303 . 1 1 27 27 GLN CG C 13 31.976 0.05 . 1 . . . . 28 GLN CG . 15116 1 304 . 1 1 27 27 GLN HG2 H 1 1.996 0.02 . 2 . . . . 28 GLN HG2 . 15116 1 305 . 1 1 28 28 TYR N N 15 119.812 0.05 . 1 . . . . 29 TYR N . 15116 1 306 . 1 1 28 28 TYR H H 1 7.860 0.02 . 1 . . . . 29 TYR HN . 15116 1 307 . 1 1 28 28 TYR CA C 13 58.334 0.05 . 1 . . . . 29 TYR CA . 15116 1 308 . 1 1 28 28 TYR HA H 1 3.709 0.02 . 1 . . . . 29 TYR HA . 15116 1 309 . 1 1 28 28 TYR CB C 13 34.838 0.05 . 1 . . . . 29 TYR CB . 15116 1 310 . 1 1 28 28 TYR HB2 H 1 1.979 0.02 . 2 . . . . 29 TYR HB2 . 15116 1 311 . 1 1 28 28 TYR HB3 H 1 1.698 0.02 . 2 . . . . 29 TYR HB3 . 15116 1 312 . 1 1 28 28 TYR CE2 C 13 113.851 0.05 . 1 . . . . 29 TYR CE2 . 15116 1 313 . 1 1 28 28 TYR HE2 H 1 6.461 0.02 . 1 . . . . 29 TYR HE2 . 15116 1 314 . 1 1 28 28 TYR CD2 C 13 130.140 0.05 . 1 . . . . 29 TYR CD2 . 15116 1 315 . 1 1 28 28 TYR HD2 H 1 6.356 0.02 . 1 . . . . 29 TYR HD2 . 15116 1 316 . 1 1 29 29 LYS N N 15 117.938 0.05 . 1 . . . . 30 LYS N . 15116 1 317 . 1 1 29 29 LYS H H 1 10.587 0.02 . 1 . . . . 30 LYS HN . 15116 1 318 . 1 1 29 29 LYS CA C 13 51.323 0.05 . 1 . . . . 30 LYS CA . 15116 1 319 . 1 1 29 29 LYS HA H 1 5.262 0.02 . 1 . . . . 30 LYS HA . 15116 1 320 . 1 1 29 29 LYS CB C 13 34.529 0.05 . 1 . . . . 30 LYS CB . 15116 1 321 . 1 1 29 29 LYS HB2 H 1 2.172 0.02 . 2 . . . . 30 LYS HB2 . 15116 1 322 . 1 1 29 29 LYS HB3 H 1 1.773 0.02 . 2 . . . . 30 LYS HB3 . 15116 1 323 . 1 1 29 29 LYS CG C 13 21.941 0.05 . 1 . . . . 30 LYS CG . 15116 1 324 . 1 1 29 29 LYS HG2 H 1 1.643 0.02 . 2 . . . . 30 LYS HG2 . 15116 1 325 . 1 1 29 29 LYS CD C 13 26.430 0.05 . 1 . . . . 30 LYS CD . 15116 1 326 . 1 1 29 29 LYS HD2 H 1 1.819 0.02 . 2 . . . . 30 LYS HD2 . 15116 1 327 . 1 1 30 30 LEU N N 15 128.562 0.05 . 1 . . . . 31 LEU N . 15116 1 328 . 1 1 30 30 LEU H H 1 10.012 0.02 . 1 . . . . 31 LEU HN . 15116 1 329 . 1 1 30 30 LEU CA C 13 56.711 0.05 . 1 . . . . 31 LEU CA . 15116 1 330 . 1 1 30 30 LEU HA H 1 4.135 0.02 . 1 . . . . 31 LEU HA . 15116 1 331 . 1 1 30 30 LEU CB C 13 38.453 0.05 . 1 . . . . 31 LEU CB . 15116 1 332 . 1 1 30 30 LEU HB2 H 1 1.921 0.02 . 2 . . . . 31 LEU HB2 . 15116 1 333 . 1 1 30 30 LEU HB3 H 1 1.277 0.02 . 2 . . . . 31 LEU HB3 . 15116 1 334 . 1 1 30 30 LEU CG C 13 24.571 0.05 . 1 . . . . 31 LEU CG . 15116 1 335 . 1 1 30 30 LEU HG H 1 1.699 0.02 . 1 . . . . 31 LEU HG . 15116 1 336 . 1 1 30 30 LEU CD1 C 13 21.382 0.05 . 1 . . . . 31 LEU CD1 . 15116 1 337 . 1 1 30 30 LEU HD11 H 1 0.940 0.02 . 1 . . . . 31 LEU HD1 . 15116 1 338 . 1 1 30 30 LEU HD12 H 1 0.940 0.02 . 1 . . . . 31 LEU HD1 . 15116 1 339 . 1 1 30 30 LEU HD13 H 1 0.940 0.02 . 1 . . . . 31 LEU HD1 . 15116 1 340 . 1 1 30 30 LEU CD2 C 13 22.797 0.05 . 1 . . . . 31 LEU CD2 . 15116 1 341 . 1 1 30 30 LEU HD21 H 1 0.932 0.02 . 1 . . . . 31 LEU HD2 . 15116 1 342 . 1 1 30 30 LEU HD22 H 1 0.932 0.02 . 1 . . . . 31 LEU HD2 . 15116 1 343 . 1 1 30 30 LEU HD23 H 1 0.932 0.02 . 1 . . . . 31 LEU HD2 . 15116 1 344 . 1 1 31 31 LYS N N 15 114.812 0.05 . 1 . . . . 32 LYS N . 15116 1 345 . 1 1 31 31 LYS H H 1 8.420 0.02 . 1 . . . . 32 LYS HN . 15116 1 346 . 1 1 31 31 LYS CA C 13 56.352 0.05 . 1 . . . . 32 LYS CA . 15116 1 347 . 1 1 31 31 LYS HA H 1 4.107 0.02 . 1 . . . . 32 LYS HA . 15116 1 348 . 1 1 31 31 LYS CB C 13 29.058 0.05 . 1 . . . . 32 LYS CB . 15116 1 349 . 1 1 31 31 LYS HB2 H 1 1.778 0.02 . 2 . . . . 32 LYS HB2 . 15116 1 350 . 1 1 31 31 LYS HB3 H 1 1.978 0.02 . 2 . . . . 32 LYS HB3 . 15116 1 351 . 1 1 31 31 LYS CG C 13 21.912 0.05 . 1 . . . . 32 LYS CG . 15116 1 352 . 1 1 31 31 LYS HG2 H 1 1.660 0.02 . 2 . . . . 32 LYS HG2 . 15116 1 353 . 1 1 31 31 LYS CD C 13 26.638 0.05 . 1 . . . . 32 LYS CD . 15116 1 354 . 1 1 31 31 LYS HD2 H 1 1.532 0.02 . 2 . . . . 32 LYS HD2 . 15116 1 355 . 1 1 32 32 HIS N N 15 118.875 0.05 . 1 . . . . 33 HIS N . 15116 1 356 . 1 1 32 32 HIS H H 1 8.199 0.02 . 1 . . . . 33 HIS HN . 15116 1 357 . 1 1 32 32 HIS CA C 13 60.280 0.05 . 1 . . . . 33 HIS CA . 15116 1 358 . 1 1 32 32 HIS HA H 1 4.567 0.02 . 1 . . . . 33 HIS HA . 15116 1 359 . 1 1 32 32 HIS CB C 13 30.054 0.05 . 1 . . . . 33 HIS CB . 15116 1 360 . 1 1 32 32 HIS HB2 H 1 3.872 0.02 . 2 . . . . 33 HIS HB2 . 15116 1 361 . 1 1 32 32 HIS HB3 H 1 3.900 0.02 . 2 . . . . 33 HIS HB3 . 15116 1 362 . 1 1 32 32 HIS CD2 C 13 114.394 0.05 . 1 . . . . 33 HIS CD2 . 15116 1 363 . 1 1 32 32 HIS HD2 H 1 7.169 0.02 . 1 . . . . 33 HIS HD2 . 15116 1 364 . 1 1 32 32 HIS CE1 C 13 134.949 0.05 . 1 . . . . 33 HIS CE1 . 15116 1 365 . 1 1 32 32 HIS HE1 H 1 7.647 0.02 . 1 . . . . 33 HIS HE1 . 15116 1 366 . 1 1 33 33 ILE N N 15 119.500 0.05 . 1 . . . . 34 ILE N . 15116 1 367 . 1 1 33 33 ILE H H 1 7.875 0.02 . 1 . . . . 34 ILE HN . 15116 1 368 . 1 1 33 33 ILE CA C 13 61.775 0.05 . 1 . . . . 34 ILE CA . 15116 1 369 . 1 1 33 33 ILE HA H 1 3.719 0.02 . 1 . . . . 34 ILE HA . 15116 1 370 . 1 1 33 33 ILE CB C 13 35.099 0.05 . 1 . . . . 34 ILE CB . 15116 1 371 . 1 1 33 33 ILE HB H 1 1.982 0.02 . 1 . . . . 34 ILE HB . 15116 1 372 . 1 1 33 33 ILE CG1 C 13 26.543 0.05 . 1 . . . . 34 ILE CG1 . 15116 1 373 . 1 1 33 33 ILE HG12 H 1 1.404 0.02 . 9 . . . . 34 ILE HG12 . 15116 1 374 . 1 1 33 33 ILE HG13 H 1 0.335 0.02 . 9 . . . . 34 ILE HG13 . 15116 1 375 . 1 1 33 33 ILE CD1 C 13 9.443 0.05 . 1 . . . . 34 ILE CD1 . 15116 1 376 . 1 1 33 33 ILE HD11 H 1 -0.262 0.02 . 1 . . . . 34 ILE HD1 . 15116 1 377 . 1 1 33 33 ILE HD12 H 1 -0.262 0.02 . 1 . . . . 34 ILE HD1 . 15116 1 378 . 1 1 33 33 ILE HD13 H 1 -0.262 0.02 . 1 . . . . 34 ILE HD1 . 15116 1 379 . 1 1 33 33 ILE CG2 C 13 15.083 0.05 . 1 . . . . 34 ILE CG2 . 15116 1 380 . 1 1 33 33 ILE HG21 H 1 0.691 0.02 . 1 . . . . 34 ILE HG2 . 15116 1 381 . 1 1 33 33 ILE HG22 H 1 0.691 0.02 . 1 . . . . 34 ILE HG2 . 15116 1 382 . 1 1 33 33 ILE HG23 H 1 0.691 0.02 . 1 . . . . 34 ILE HG2 . 15116 1 383 . 1 1 34 34 VAL N N 15 120.750 0.05 . 1 . . . . 35 VAL N . 15116 1 384 . 1 1 34 34 VAL H H 1 7.742 0.02 . 1 . . . . 35 VAL HN . 15116 1 385 . 1 1 34 34 VAL CA C 13 64.364 0.05 . 1 . . . . 35 VAL CA . 15116 1 386 . 1 1 34 34 VAL HA H 1 3.420 0.02 . 1 . . . . 35 VAL HA . 15116 1 387 . 1 1 34 34 VAL CB C 13 29.155 0.05 . 1 . . . . 35 VAL CB . 15116 1 388 . 1 1 34 34 VAL HB H 1 2.131 0.02 . 1 . . . . 35 VAL HB . 15116 1 389 . 1 1 34 34 VAL CG2 C 13 19.215 0.05 . 1 . . . . 35 VAL CG2 . 15116 1 390 . 1 1 34 34 VAL HG21 H 1 1.026 0.02 . 1 . . . . 35 VAL HG2 . 15116 1 391 . 1 1 34 34 VAL HG22 H 1 1.026 0.02 . 1 . . . . 35 VAL HG2 . 15116 1 392 . 1 1 34 34 VAL HG23 H 1 1.026 0.02 . 1 . . . . 35 VAL HG2 . 15116 1 393 . 1 1 34 34 VAL CG1 C 13 19.100 0.05 . 1 . . . . 35 VAL CG1 . 15116 1 394 . 1 1 34 34 VAL HG11 H 1 0.938 0.02 . 1 . . . . 35 VAL HG1 . 15116 1 395 . 1 1 34 34 VAL HG12 H 1 0.938 0.02 . 1 . . . . 35 VAL HG1 . 15116 1 396 . 1 1 34 34 VAL HG13 H 1 0.938 0.02 . 1 . . . . 35 VAL HG1 . 15116 1 397 . 1 1 35 35 TRP N N 15 120.750 0.05 . 1 . . . . 36 TRP N . 15116 1 398 . 1 1 35 35 TRP H H 1 8.656 0.02 . 1 . . . . 36 TRP HN . 15116 1 399 . 1 1 35 35 TRP CA C 13 59.361 0.05 . 1 . . . . 36 TRP CA . 15116 1 400 . 1 1 35 35 TRP HA H 1 4.217 0.02 . 1 . . . . 36 TRP HA . 15116 1 401 . 1 1 35 35 TRP CB C 13 25.646 0.05 . 1 . . . . 36 TRP CB . 15116 1 402 . 1 1 35 35 TRP HB2 H 1 3.543 0.02 . 2 . . . . 36 TRP HB2 . 15116 1 403 . 1 1 35 35 TRP HB3 H 1 3.460 0.02 . 2 . . . . 36 TRP HB3 . 15116 1 404 . 1 1 35 35 TRP CD1 C 13 125.117 0.05 . 1 . . . . 36 TRP CD1 . 15116 1 405 . 1 1 35 35 TRP HD1 H 1 7.404 0.02 . 1 . . . . 36 TRP HD1 . 15116 1 406 . 1 1 35 35 TRP NE1 N 15 131.062 0.05 . 1 . . . . 36 TRP NE1 . 15116 1 407 . 1 1 35 35 TRP HE1 H 1 10.248 0.02 . 1 . . . . 36 TRP HE1 . 15116 1 408 . 1 1 35 35 TRP CZ2 C 13 111.994 0.05 . 1 . . . . 36 TRP CZ2 . 15116 1 409 . 1 1 35 35 TRP HZ2 H 1 7.416 0.02 . 1 . . . . 36 TRP HZ2 . 15116 1 410 . 1 1 35 35 TRP CH2 C 13 121.363 0.05 . 1 . . . . 36 TRP CH2 . 15116 1 411 . 1 1 35 35 TRP HH2 H 1 7.359 0.02 . 1 . . . . 36 TRP HH2 . 15116 1 412 . 1 1 35 35 TRP CZ3 C 13 124.232 0.05 . 1 . . . . 36 TRP CZ3 . 15116 1 413 . 1 1 35 35 TRP HZ3 H 1 7.395 0.02 . 1 . . . . 36 TRP HZ3 . 15116 1 414 . 1 1 36 36 ALA N N 15 120.438 0.05 . 1 . . . . 37 ALA N . 15116 1 415 . 1 1 36 36 ALA H H 1 8.288 0.02 . 1 . . . . 37 ALA HN . 15116 1 416 . 1 1 36 36 ALA CA C 13 52.526 0.05 . 1 . . . . 37 ALA CA . 15116 1 417 . 1 1 36 36 ALA HA H 1 3.388 0.02 . 1 . . . . 37 ALA HA . 15116 1 418 . 1 1 36 36 ALA CB C 13 14.591 0.05 . 1 . . . . 37 ALA CB . 15116 1 419 . 1 1 36 36 ALA HB1 H 1 1.525 0.02 . 1 . . . . 37 ALA HB1 . 15116 1 420 . 1 1 36 36 ALA HB2 H 1 1.525 0.02 . 1 . . . . 37 ALA HB1 . 15116 1 421 . 1 1 36 36 ALA HB3 H 1 1.525 0.02 . 1 . . . . 37 ALA HB1 . 15116 1 422 . 1 1 37 37 SER N N 15 111.375 0.05 . 1 . . . . 38 SER N . 15116 1 423 . 1 1 37 37 SER H H 1 8.184 0.02 . 1 . . . . 38 SER HN . 15116 1 424 . 1 1 37 37 SER CA C 13 60.253 0.05 . 1 . . . . 38 SER CA . 15116 1 425 . 1 1 37 37 SER HA H 1 3.884 0.02 . 1 . . . . 38 SER HA . 15116 1 426 . 1 1 37 37 SER CB C 13 60.262 0.05 . 1 . . . . 38 SER CB . 15116 1 427 . 1 1 37 37 SER HB2 H 1 3.850 0.02 . 2 . . . . 38 SER HB2 . 15116 1 428 . 1 1 38 38 ARG N N 15 120.750 0.05 . 1 . . . . 39 ARG N . 15116 1 429 . 1 1 38 38 ARG H H 1 7.506 0.02 . 1 . . . . 39 ARG HN . 15116 1 430 . 1 1 38 38 ARG CA C 13 55.764 0.05 . 1 . . . . 39 ARG CA . 15116 1 431 . 1 1 38 38 ARG HA H 1 4.139 0.02 . 1 . . . . 39 ARG HA . 15116 1 432 . 1 1 38 38 ARG CB C 13 27.200 0.05 . 1 . . . . 39 ARG CB . 15116 1 433 . 1 1 38 38 ARG HB2 H 1 1.960 0.02 . 2 . . . . 39 ARG HB2 . 15116 1 434 . 1 1 38 38 ARG CG C 13 24.502 0.05 . 1 . . . . 39 ARG CG . 15116 1 435 . 1 1 38 38 ARG HG2 H 1 1.715 0.02 . 2 . . . . 39 ARG HG2 . 15116 1 436 . 1 1 38 38 ARG CD C 13 40.708 0.05 . 1 . . . . 39 ARG CD . 15116 1 437 . 1 1 38 38 ARG HD2 H 1 3.177 0.02 . 2 . . . . 39 ARG HD2 . 15116 1 438 . 1 1 39 39 GLU N N 15 121.062 0.05 . 1 . . . . 40 GLU N . 15116 1 439 . 1 1 39 39 GLU H H 1 8.258 0.02 . 1 . . . . 40 GLU HN . 15116 1 440 . 1 1 39 39 GLU CA C 13 55.531 0.05 . 1 . . . . 40 GLU CA . 15116 1 441 . 1 1 39 39 GLU HA H 1 3.761 0.02 . 1 . . . . 40 GLU HA . 15116 1 442 . 1 1 39 39 GLU CB C 13 27.062 0.05 . 1 . . . . 40 GLU CB . 15116 1 443 . 1 1 39 39 GLU HB2 H 1 1.556 0.02 . 2 . . . . 40 GLU HB2 . 15116 1 444 . 1 1 39 39 GLU CG C 13 34.549 0.05 . 1 . . . . 40 GLU CG . 15116 1 445 . 1 1 39 39 GLU HG2 H 1 2.348 0.02 . 2 . . . . 40 GLU HG2 . 15116 1 446 . 1 1 40 40 LEU N N 15 116.688 0.05 . 1 . . . . 41 LEU N . 15116 1 447 . 1 1 40 40 LEU H H 1 7.978 0.02 . 1 . . . . 41 LEU HN . 15116 1 448 . 1 1 40 40 LEU CA C 13 55.203 0.05 . 1 . . . . 41 LEU CA . 15116 1 449 . 1 1 40 40 LEU HA H 1 3.978 0.02 . 1 . . . . 41 LEU HA . 15116 1 450 . 1 1 40 40 LEU CB C 13 37.625 0.05 . 1 . . . . 41 LEU CB . 15116 1 451 . 1 1 40 40 LEU HB2 H 1 1.786 0.02 . 2 . . . . 41 LEU HB2 . 15116 1 452 . 1 1 40 40 LEU HB3 H 1 1.398 0.02 . 2 . . . . 41 LEU HB3 . 15116 1 453 . 1 1 40 40 LEU CG C 13 24.244 0.05 . 1 . . . . 41 LEU CG . 15116 1 454 . 1 1 40 40 LEU HG H 1 1.699 0.02 . 1 . . . . 41 LEU HG . 15116 1 455 . 1 1 40 40 LEU CD1 C 13 23.966 0.05 . 1 . . . . 41 LEU CD1 . 15116 1 456 . 1 1 40 40 LEU HD11 H 1 0.830 0.02 . 1 . . . . 41 LEU HD1 . 15116 1 457 . 1 1 40 40 LEU HD12 H 1 0.830 0.02 . 1 . . . . 41 LEU HD1 . 15116 1 458 . 1 1 40 40 LEU HD13 H 1 0.830 0.02 . 1 . . . . 41 LEU HD1 . 15116 1 459 . 1 1 40 40 LEU CD2 C 13 19.584 0.05 . 1 . . . . 41 LEU CD2 . 15116 1 460 . 1 1 40 40 LEU HD21 H 1 0.767 0.02 . 1 . . . . 41 LEU HD2 . 15116 1 461 . 1 1 40 40 LEU HD22 H 1 0.767 0.02 . 1 . . . . 41 LEU HD2 . 15116 1 462 . 1 1 40 40 LEU HD23 H 1 0.767 0.02 . 1 . . . . 41 LEU HD2 . 15116 1 463 . 1 1 41 41 GLU N N 15 117.312 0.05 . 1 . . . . 42 GLU N . 15116 1 464 . 1 1 41 41 GLU H H 1 7.536 0.02 . 1 . . . . 42 GLU HN . 15116 1 465 . 1 1 41 41 GLU CA C 13 56.790 0.05 . 1 . . . . 42 GLU CA . 15116 1 466 . 1 1 41 41 GLU HA H 1 4.102 0.02 . 1 . . . . 42 GLU HA . 15116 1 467 . 1 1 41 41 GLU CB C 13 26.991 0.05 . 1 . . . . 42 GLU CB . 15116 1 468 . 1 1 41 41 GLU HB2 H 1 2.103 0.02 . 2 . . . . 42 GLU HB2 . 15116 1 469 . 1 1 41 41 GLU CG C 13 34.372 0.05 . 1 . . . . 42 GLU CG . 15116 1 470 . 1 1 41 41 GLU HG2 H 1 2.587 0.02 . 2 . . . . 42 GLU HG2 . 15116 1 471 . 1 1 42 42 ARG N N 15 119.812 0.05 . 1 . . . . 43 ARG N . 15116 1 472 . 1 1 42 42 ARG H H 1 7.654 0.02 . 1 . . . . 43 ARG HN . 15116 1 473 . 1 1 42 42 ARG CA C 13 55.856 0.05 . 1 . . . . 43 ARG CA . 15116 1 474 . 1 1 42 42 ARG HA H 1 4.033 0.02 . 1 . . . . 43 ARG HA . 15116 1 475 . 1 1 42 42 ARG CB C 13 26.957 0.05 . 1 . . . . 43 ARG CB . 15116 1 476 . 1 1 42 42 ARG HB2 H 1 1.668 0.02 . 2 . . . . 43 ARG HB2 . 15116 1 477 . 1 1 42 42 ARG CG C 13 24.621 0.05 . 1 . . . . 43 ARG CG . 15116 1 478 . 1 1 42 42 ARG HG2 H 1 1.496 0.02 . 2 . . . . 43 ARG HG2 . 15116 1 479 . 1 1 42 42 ARG CD C 13 40.709 0.05 . 1 . . . . 43 ARG CD . 15116 1 480 . 1 1 42 42 ARG HD2 H 1 3.056 0.02 . 2 . . . . 43 ARG HD2 . 15116 1 481 . 1 1 43 43 PHE N N 15 117.625 0.05 . 1 . . . . 44 PHE N . 15116 1 482 . 1 1 43 43 PHE H H 1 7.521 0.02 . 1 . . . . 44 PHE HN . 15116 1 483 . 1 1 43 43 PHE CA C 13 54.556 0.05 . 1 . . . . 44 PHE CA . 15116 1 484 . 1 1 43 43 PHE HA H 1 4.607 0.02 . 1 . . . . 44 PHE HA . 15116 1 485 . 1 1 43 43 PHE CB C 13 38.530 0.05 . 1 . . . . 44 PHE CB . 15116 1 486 . 1 1 43 43 PHE HB2 H 1 3.410 0.02 . 2 . . . . 44 PHE HB2 . 15116 1 487 . 1 1 43 43 PHE HB3 H 1 2.721 0.02 . 2 . . . . 44 PHE HB3 . 15116 1 488 . 1 1 43 43 PHE CD1 C 13 128.427 0.05 . 1 . . . . 44 PHE CD1 . 15116 1 489 . 1 1 43 43 PHE HD1 H 1 7.185 0.02 . 1 . . . . 44 PHE HD1 . 15116 1 490 . 1 1 44 44 ALA N N 15 118.562 0.05 . 1 . . . . 45 ALA N . 15116 1 491 . 1 1 44 44 ALA H H 1 7.934 0.02 . 1 . . . . 45 ALA HN . 15116 1 492 . 1 1 44 44 ALA CA C 13 50.714 0.05 . 1 . . . . 45 ALA CA . 15116 1 493 . 1 1 44 44 ALA HA H 1 3.995 0.02 . 1 . . . . 45 ALA HA . 15116 1 494 . 1 1 44 44 ALA CB C 13 13.537 0.05 . 1 . . . . 45 ALA CB . 15116 1 495 . 1 1 44 44 ALA HB1 H 1 1.441 0.02 . 1 . . . . 45 ALA HB1 . 15116 1 496 . 1 1 44 44 ALA HB2 H 1 1.441 0.02 . 1 . . . . 45 ALA HB1 . 15116 1 497 . 1 1 44 44 ALA HB3 H 1 1.441 0.02 . 1 . . . . 45 ALA HB1 . 15116 1 498 . 1 1 45 45 VAL N N 15 119.500 0.05 . 1 . . . . 46 VAL N . 15116 1 499 . 1 1 45 45 VAL H H 1 7.772 0.02 . 1 . . . . 46 VAL HN . 15116 1 500 . 1 1 45 45 VAL CA C 13 57.920 0.05 . 1 . . . . 46 VAL CA . 15116 1 501 . 1 1 45 45 VAL HA H 1 4.097 0.02 . 1 . . . . 46 VAL HA . 15116 1 502 . 1 1 45 45 VAL CB C 13 30.788 0.05 . 1 . . . . 46 VAL CB . 15116 1 503 . 1 1 45 45 VAL HB H 1 1.765 0.02 . 1 . . . . 46 VAL HB . 15116 1 504 . 1 1 45 45 VAL CG2 C 13 18.775 0.05 . 1 . . . . 46 VAL CG2 . 15116 1 505 . 1 1 45 45 VAL HG21 H 1 0.847 0.02 . 1 . . . . 46 VAL HG2 . 15116 1 506 . 1 1 45 45 VAL HG22 H 1 0.847 0.02 . 1 . . . . 46 VAL HG2 . 15116 1 507 . 1 1 45 45 VAL HG23 H 1 0.847 0.02 . 1 . . . . 46 VAL HG2 . 15116 1 508 . 1 1 45 45 VAL CG1 C 13 19.128 0.05 . 1 . . . . 46 VAL CG1 . 15116 1 509 . 1 1 45 45 VAL HG11 H 1 0.805 0.02 . 1 . . . . 46 VAL HG1 . 15116 1 510 . 1 1 45 45 VAL HG12 H 1 0.805 0.02 . 1 . . . . 46 VAL HG1 . 15116 1 511 . 1 1 45 45 VAL HG13 H 1 0.805 0.02 . 1 . . . . 46 VAL HG1 . 15116 1 512 . 1 1 46 46 ASN N N 15 125.750 0.05 . 1 . . . . 47 ASN N . 15116 1 513 . 1 1 46 46 ASN H H 1 8.376 0.02 . 1 . . . . 47 ASN HN . 15116 1 514 . 1 1 46 46 ASN CA C 13 48.285 0.05 . 1 . . . . 47 ASN CA . 15116 1 515 . 1 1 46 46 ASN HA H 1 4.692 0.02 . 1 . . . . 47 ASN HA . 15116 1 516 . 1 1 46 46 ASN CB C 13 36.450 0.05 . 1 . . . . 47 ASN CB . 15116 1 517 . 1 1 46 46 ASN HB2 H 1 2.861 0.02 . 2 . . . . 47 ASN HB2 . 15116 1 518 . 1 1 47 47 PRO CA C 13 61.643 0.05 . 1 . . . . 48 PRO CA . 15116 1 519 . 1 1 47 47 PRO HA H 1 4.208 0.02 . 1 . . . . 48 PRO HA . 15116 1 520 . 1 1 47 47 PRO CB C 13 29.446 0.05 . 1 . . . . 48 PRO CB . 15116 1 521 . 1 1 47 47 PRO HB2 H 1 1.941 0.02 . 2 . . . . 48 PRO HB2 . 15116 1 522 . 1 1 47 47 PRO HB3 H 1 2.371 0.02 . 2 . . . . 48 PRO HB3 . 15116 1 523 . 1 1 47 47 PRO CG C 13 25.110 0.05 . 1 . . . . 48 PRO CG . 15116 1 524 . 1 1 47 47 PRO HG2 H 1 1.999 0.02 . 2 . . . . 48 PRO HG2 . 15116 1 525 . 1 1 47 47 PRO HG3 H 1 1.736 0.02 . 2 . . . . 48 PRO HG3 . 15116 1 526 . 1 1 47 47 PRO CD C 13 48.204 0.05 . 1 . . . . 48 PRO CD . 15116 1 527 . 1 1 47 47 PRO HD2 H 1 4.091 0.02 . 2 . . . . 48 PRO HD2 . 15116 1 528 . 1 1 47 47 PRO HD3 H 1 3.885 0.02 . 2 . . . . 48 PRO HD3 . 15116 1 529 . 1 1 48 48 GLY N N 15 106.375 0.05 . 1 . . . . 49 GLY N . 15116 1 530 . 1 1 48 48 GLY H H 1 8.494 0.02 . 1 . . . . 49 GLY HN . 15116 1 531 . 1 1 48 48 GLY CA C 13 43.863 0.05 . 1 . . . . 49 GLY CA . 15116 1 532 . 1 1 48 48 GLY HA2 H 1 3.743 0.02 . 2 . . . . 49 GLY HA2 . 15116 1 533 . 1 1 48 48 GLY HA3 H 1 3.957 0.02 . 2 . . . . 49 GLY HA3 . 15116 1 534 . 1 1 49 49 LEU N N 15 122.312 0.05 . 1 . . . . 50 LEU N . 15116 1 535 . 1 1 49 49 LEU H H 1 7.816 0.02 . 1 . . . . 50 LEU HN . 15116 1 536 . 1 1 49 49 LEU CA C 13 54.548 0.05 . 1 . . . . 50 LEU CA . 15116 1 537 . 1 1 49 49 LEU HA H 1 4.092 0.02 . 1 . . . . 50 LEU HA . 15116 1 538 . 1 1 49 49 LEU CB C 13 39.186 0.05 . 1 . . . . 50 LEU CB . 15116 1 539 . 1 1 49 49 LEU HB2 H 1 1.696 0.02 . 2 . . . . 50 LEU HB2 . 15116 1 540 . 1 1 49 49 LEU HB3 H 1 1.413 0.02 . 2 . . . . 50 LEU HB3 . 15116 1 541 . 1 1 49 49 LEU CG C 13 25.211 0.05 . 1 . . . . 50 LEU CG . 15116 1 542 . 1 1 49 49 LEU HG H 1 1.742 0.02 . 1 . . . . 50 LEU HG . 15116 1 543 . 1 1 49 49 LEU CD1 C 13 23.225 0.05 . 1 . . . . 50 LEU CD1 . 15116 1 544 . 1 1 49 49 LEU HD11 H 1 0.939 0.02 . 1 . . . . 50 LEU HD1 . 15116 1 545 . 1 1 49 49 LEU HD12 H 1 0.939 0.02 . 1 . . . . 50 LEU HD1 . 15116 1 546 . 1 1 49 49 LEU HD13 H 1 0.939 0.02 . 1 . . . . 50 LEU HD1 . 15116 1 547 . 1 1 49 49 LEU CD2 C 13 19.913 0.05 . 1 . . . . 50 LEU CD2 . 15116 1 548 . 1 1 49 49 LEU HD21 H 1 0.840 0.02 . 1 . . . . 50 LEU HD2 . 15116 1 549 . 1 1 49 49 LEU HD22 H 1 0.840 0.02 . 1 . . . . 50 LEU HD2 . 15116 1 550 . 1 1 49 49 LEU HD23 H 1 0.840 0.02 . 1 . . . . 50 LEU HD2 . 15116 1 551 . 1 1 50 50 LEU N N 15 112.312 0.05 . 1 . . . . 51 LEU N . 15116 1 552 . 1 1 50 50 LEU H H 1 7.492 0.02 . 1 . . . . 51 LEU HN . 15116 1 553 . 1 1 50 50 LEU CA C 13 53.870 0.05 . 1 . . . . 51 LEU CA . 15116 1 554 . 1 1 50 50 LEU HA H 1 4.136 0.02 . 1 . . . . 51 LEU HA . 15116 1 555 . 1 1 50 50 LEU CB C 13 39.524 0.05 . 1 . . . . 51 LEU CB . 15116 1 556 . 1 1 50 50 LEU HB2 H 1 1.305 0.02 . 2 . . . . 51 LEU HB2 . 15116 1 557 . 1 1 50 50 LEU HB3 H 1 1.793 0.02 . 2 . . . . 51 LEU HB3 . 15116 1 558 . 1 1 50 50 LEU CG C 13 24.441 0.05 . 1 . . . . 51 LEU CG . 15116 1 559 . 1 1 50 50 LEU HG H 1 1.648 0.02 . 1 . . . . 51 LEU HG . 15116 1 560 . 1 1 50 50 LEU CD1 C 13 21.657 0.05 . 1 . . . . 51 LEU CD1 . 15116 1 561 . 1 1 50 50 LEU HD11 H 1 0.726 0.02 . 1 . . . . 51 LEU HD1 . 15116 1 562 . 1 1 50 50 LEU HD12 H 1 0.726 0.02 . 1 . . . . 51 LEU HD1 . 15116 1 563 . 1 1 50 50 LEU HD13 H 1 0.726 0.02 . 1 . . . . 51 LEU HD1 . 15116 1 564 . 1 1 50 50 LEU CD2 C 13 22.926 0.05 . 1 . . . . 51 LEU CD2 . 15116 1 565 . 1 1 50 50 LEU HD21 H 1 0.741 0.02 . 1 . . . . 51 LEU HD2 . 15116 1 566 . 1 1 50 50 LEU HD22 H 1 0.741 0.02 . 1 . . . . 51 LEU HD2 . 15116 1 567 . 1 1 50 50 LEU HD23 H 1 0.741 0.02 . 1 . . . . 51 LEU HD2 . 15116 1 568 . 1 1 51 51 GLU N N 15 113.562 0.05 . 1 . . . . 52 GLU N . 15116 1 569 . 1 1 51 51 GLU H H 1 7.433 0.02 . 1 . . . . 52 GLU HN . 15116 1 570 . 1 1 51 51 GLU CA C 13 55.841 0.05 . 1 . . . . 52 GLU CA . 15116 1 571 . 1 1 51 51 GLU HA H 1 3.843 0.02 . 1 . . . . 52 GLU HA . 15116 1 572 . 1 1 51 51 GLU CB C 13 28.772 0.05 . 1 . . . . 52 GLU CB . 15116 1 573 . 1 1 51 51 GLU HB2 H 1 2.098 0.02 . 2 . . . . 52 GLU HB2 . 15116 1 574 . 1 1 51 51 GLU HB3 H 1 2.124 0.02 . 2 . . . . 52 GLU HB3 . 15116 1 575 . 1 1 51 51 GLU CG C 13 34.915 0.05 . 1 . . . . 52 GLU CG . 15116 1 576 . 1 1 51 51 GLU HG2 H 1 2.325 0.02 . 2 . . . . 52 GLU HG2 . 15116 1 577 . 1 1 51 51 GLU HG3 H 1 2.198 0.02 . 2 . . . . 52 GLU HG3 . 15116 1 578 . 1 1 52 52 THR N N 15 123.562 0.05 . 1 . . . . 53 THR N . 15116 1 579 . 1 1 52 52 THR H H 1 7.212 0.02 . 1 . . . . 53 THR HN . 15116 1 580 . 1 1 52 52 THR CA C 13 55.710 0.05 . 1 . . . . 53 THR CA . 15116 1 581 . 1 1 52 52 THR HA H 1 4.350 0.02 . 1 . . . . 53 THR HA . 15116 1 582 . 1 1 52 52 THR CB C 13 70.529 0.05 . 1 . . . . 53 THR CB . 15116 1 583 . 1 1 52 52 THR HB H 1 4.482 0.02 . 1 . . . . 53 THR HB . 15116 1 584 . 1 1 52 52 THR CG2 C 13 18.843 0.05 . 1 . . . . 53 THR CG2 . 15116 1 585 . 1 1 52 52 THR HG21 H 1 1.045 0.02 . 1 . . . . 53 THR HG2 . 15116 1 586 . 1 1 52 52 THR HG22 H 1 1.045 0.02 . 1 . . . . 53 THR HG2 . 15116 1 587 . 1 1 52 52 THR HG23 H 1 1.045 0.02 . 1 . . . . 53 THR HG2 . 15116 1 588 . 1 1 53 53 SER N N 15 119.188 0.05 . 1 . . . . 54 SER N . 15116 1 589 . 1 1 53 53 SER H H 1 9.187 0.02 . 1 . . . . 54 SER HN . 15116 1 590 . 1 1 53 53 SER CA C 13 59.659 0.05 . 1 . . . . 54 SER CA . 15116 1 591 . 1 1 53 53 SER HA H 1 3.838 0.02 . 1 . . . . 54 SER HA . 15116 1 592 . 1 1 53 53 SER CB C 13 59.589 0.05 . 1 . . . . 54 SER CB . 15116 1 593 . 1 1 53 53 SER HB2 H 1 3.829 0.02 . 2 . . . . 54 SER HB2 . 15116 1 594 . 1 1 54 54 GLU N N 15 121.375 0.05 . 1 . . . . 55 GLU N . 15116 1 595 . 1 1 54 54 GLU H H 1 8.848 0.02 . 1 . . . . 55 GLU HN . 15116 1 596 . 1 1 54 54 GLU CA C 13 57.101 0.05 . 1 . . . . 55 GLU CA . 15116 1 597 . 1 1 54 54 GLU HA H 1 4.066 0.02 . 1 . . . . 55 GLU HA . 15116 1 598 . 1 1 54 54 GLU CB C 13 26.326 0.05 . 1 . . . . 55 GLU CB . 15116 1 599 . 1 1 54 54 GLU HB2 H 1 1.982 0.02 . 2 . . . . 55 GLU HB2 . 15116 1 600 . 1 1 54 54 GLU HB3 H 1 1.923 0.02 . 2 . . . . 55 GLU HB3 . 15116 1 601 . 1 1 54 54 GLU CG C 13 33.402 0.05 . 1 . . . . 55 GLU CG . 15116 1 602 . 1 1 54 54 GLU HG2 H 1 2.342 0.02 . 2 . . . . 55 GLU HG2 . 15116 1 603 . 1 1 54 54 GLU HG3 H 1 2.277 0.02 . 2 . . . . 55 GLU HG3 . 15116 1 604 . 1 1 55 55 GLY N N 15 110.750 0.05 . 1 . . . . 56 GLY N . 15116 1 605 . 1 1 55 55 GLY H H 1 8.465 0.02 . 1 . . . . 56 GLY HN . 15116 1 606 . 1 1 55 55 GLY CA C 13 45.206 0.05 . 1 . . . . 56 GLY CA . 15116 1 607 . 1 1 55 55 GLY HA2 H 1 4.629 0.02 . 2 . . . . 56 GLY HA2 . 15116 1 608 . 1 1 55 55 GLY HA3 H 1 3.786 0.02 . 2 . . . . 56 GLY HA3 . 15116 1 609 . 1 1 56 56 CYS N N 15 118.562 0.05 . 1 . . . . 57 CYS N . 15116 1 610 . 1 1 56 56 CYS H H 1 8.126 0.02 . 1 . . . . 57 CYS HN . 15116 1 611 . 1 1 56 56 CYS CA C 13 61.665 0.05 . 1 . . . . 57 CYS CA . 15116 1 612 . 1 1 56 56 CYS HA H 1 4.009 0.02 . 1 . . . . 57 CYS HA . 15116 1 613 . 1 1 56 56 CYS CB C 13 45.100 0.05 . 1 . . . . 57 CYS CB . 15116 1 614 . 1 1 56 56 CYS HB2 H 1 2.499 0.02 . 2 . . . . 57 CYS HB2 . 15116 1 615 . 1 1 56 56 CYS HB3 H 1 3.483 0.02 . 2 . . . . 57 CYS HB3 . 15116 1 616 . 1 1 57 57 ARG N N 15 119.500 0.05 . 1 . . . . 58 ARG N . 15116 1 617 . 1 1 57 57 ARG H H 1 8.479 0.02 . 1 . . . . 58 ARG HN . 15116 1 618 . 1 1 57 57 ARG CA C 13 57.048 0.05 . 1 . . . . 58 ARG CA . 15116 1 619 . 1 1 57 57 ARG HA H 1 3.537 0.02 . 1 . . . . 58 ARG HA . 15116 1 620 . 1 1 57 57 ARG CB C 13 27.353 0.05 . 1 . . . . 58 ARG CB . 15116 1 621 . 1 1 57 57 ARG HB2 H 1 1.969 0.02 . 2 . . . . 58 ARG HB2 . 15116 1 622 . 1 1 57 57 ARG CG C 13 25.042 0.05 . 1 . . . . 58 ARG CG . 15116 1 623 . 1 1 57 57 ARG HG2 H 1 1.534 0.02 . 2 . . . . 58 ARG HG2 . 15116 1 624 . 1 1 57 57 ARG CD C 13 40.638 0.05 . 1 . . . . 58 ARG CD . 15116 1 625 . 1 1 57 57 ARG HD2 H 1 3.129 0.02 . 2 . . . . 58 ARG HD2 . 15116 1 626 . 1 1 58 58 GLN N N 15 119.812 0.05 . 1 . . . . 59 GLN N . 15116 1 627 . 1 1 58 58 GLN H H 1 7.963 0.02 . 1 . . . . 59 GLN HN . 15116 1 628 . 1 1 58 58 GLN CA C 13 56.638 0.05 . 1 . . . . 59 GLN CA . 15116 1 629 . 1 1 58 58 GLN HA H 1 4.065 0.02 . 1 . . . . 59 GLN HA . 15116 1 630 . 1 1 58 58 GLN CB C 13 25.548 0.05 . 1 . . . . 59 GLN CB . 15116 1 631 . 1 1 58 58 GLN HB2 H 1 2.274 0.02 . 2 . . . . 59 GLN HB2 . 15116 1 632 . 1 1 58 58 GLN CG C 13 31.315 0.05 . 1 . . . . 59 GLN CG . 15116 1 633 . 1 1 58 58 GLN HG2 H 1 2.459 0.02 . 2 . . . . 59 GLN HG2 . 15116 1 634 . 1 1 58 58 GLN HG3 H 1 2.279 0.02 . 2 . . . . 59 GLN HG3 . 15116 1 635 . 1 1 59 59 ILE N N 15 120.750 0.05 . 1 . . . . 60 ILE N . 15116 1 636 . 1 1 59 59 ILE H H 1 8.155 0.02 . 1 . . . . 60 ILE HN . 15116 1 637 . 1 1 59 59 ILE CA C 13 63.249 0.05 . 1 . . . . 60 ILE CA . 15116 1 638 . 1 1 59 59 ILE HA H 1 3.526 0.02 . 1 . . . . 60 ILE HA . 15116 1 639 . 1 1 59 59 ILE CB C 13 38.685 0.05 . 1 . . . . 60 ILE CB . 15116 1 640 . 1 1 59 59 ILE HB H 1 1.870 0.02 . 1 . . . . 60 ILE HB . 15116 1 641 . 1 1 59 59 ILE CG1 C 13 16.000 0.05 . 1 . . . . 60 ILE CG1 . 15116 1 642 . 1 1 59 59 ILE HG12 H 1 0.798 0.02 . 1 . . . . 60 ILE HG1 . 15116 1 643 . 1 1 59 59 ILE HG13 H 1 0.798 0.02 . 1 . . . . 60 ILE HG1 . 15116 1 644 . 1 1 59 59 ILE CD1 C 13 12.041 0.05 . 1 . . . . 60 ILE CD1 . 15116 1 645 . 1 1 59 59 ILE HD11 H 1 0.736 0.02 . 1 . . . . 60 ILE HD1 . 15116 1 646 . 1 1 59 59 ILE HD12 H 1 0.736 0.02 . 1 . . . . 60 ILE HD1 . 15116 1 647 . 1 1 59 59 ILE HD13 H 1 0.736 0.02 . 1 . . . . 60 ILE HD1 . 15116 1 648 . 1 1 59 59 ILE CG2 C 13 15.726 0.05 . 1 . . . . 60 ILE CG2 . 15116 1 649 . 1 1 59 59 ILE HG21 H 1 0.798 0.02 . 1 . . . . 60 ILE HG2 . 15116 1 650 . 1 1 59 59 ILE HG22 H 1 0.798 0.02 . 1 . . . . 60 ILE HG2 . 15116 1 651 . 1 1 59 59 ILE HG23 H 1 0.798 0.02 . 1 . . . . 60 ILE HG2 . 15116 1 652 . 1 1 60 60 LEU N N 15 118.875 0.05 . 1 . . . . 61 LEU N . 15116 1 653 . 1 1 60 60 LEU H H 1 8.376 0.02 . 1 . . . . 61 LEU HN . 15116 1 654 . 1 1 60 60 LEU CA C 13 56.026 0.05 . 1 . . . . 61 LEU CA . 15116 1 655 . 1 1 60 60 LEU HA H 1 3.873 0.02 . 1 . . . . 61 LEU HA . 15116 1 656 . 1 1 60 60 LEU CB C 13 38.224 0.05 . 1 . . . . 61 LEU CB . 15116 1 657 . 1 1 60 60 LEU HB2 H 1 1.762 0.02 . 2 . . . . 61 LEU HB2 . 15116 1 658 . 1 1 60 60 LEU HB3 H 1 1.285 0.02 . 2 . . . . 61 LEU HB3 . 15116 1 659 . 1 1 60 60 LEU CG C 13 23.320 0.05 . 1 . . . . 61 LEU CG . 15116 1 660 . 1 1 60 60 LEU HG H 1 1.635 0.02 . 1 . . . . 61 LEU HG . 15116 1 661 . 1 1 60 60 LEU CD1 C 13 22.742 0.05 . 1 . . . . 61 LEU CD1 . 15116 1 662 . 1 1 60 60 LEU HD11 H 1 0.353 0.02 . 1 . . . . 61 LEU HD1 . 15116 1 663 . 1 1 60 60 LEU HD12 H 1 0.353 0.02 . 1 . . . . 61 LEU HD1 . 15116 1 664 . 1 1 60 60 LEU HD13 H 1 0.353 0.02 . 1 . . . . 61 LEU HD1 . 15116 1 665 . 1 1 60 60 LEU CD2 C 13 19.567 0.05 . 1 . . . . 61 LEU CD2 . 15116 1 666 . 1 1 60 60 LEU HD21 H 1 0.014 0.02 . 1 . . . . 61 LEU HD2 . 15116 1 667 . 1 1 60 60 LEU HD22 H 1 0.014 0.02 . 1 . . . . 61 LEU HD2 . 15116 1 668 . 1 1 60 60 LEU HD23 H 1 0.014 0.02 . 1 . . . . 61 LEU HD2 . 15116 1 669 . 1 1 61 61 GLY N N 15 103.562 0.05 . 1 . . . . 62 GLY N . 15116 1 670 . 1 1 61 61 GLY H H 1 7.875 0.02 . 1 . . . . 62 GLY HN . 15116 1 671 . 1 1 61 61 GLY CA C 13 44.565 0.05 . 1 . . . . 62 GLY CA . 15116 1 672 . 1 1 61 61 GLY HA2 H 1 3.905 0.02 . 2 . . . . 62 GLY HA2 . 15116 1 673 . 1 1 61 61 GLY HA3 H 1 3.999 0.02 . 2 . . . . 62 GLY HA3 . 15116 1 674 . 1 1 62 62 GLN N N 15 119.812 0.05 . 1 . . . . 63 GLN N . 15116 1 675 . 1 1 62 62 GLN H H 1 7.772 0.02 . 1 . . . . 63 GLN HN . 15116 1 676 . 1 1 62 62 GLN CA C 13 55.496 0.05 . 1 . . . . 63 GLN CA . 15116 1 677 . 1 1 62 62 GLN HA H 1 4.185 0.02 . 1 . . . . 63 GLN HA . 15116 1 678 . 1 1 62 62 GLN CB C 13 26.408 0.05 . 1 . . . . 63 GLN CB . 15116 1 679 . 1 1 62 62 GLN HB2 H 1 2.137 0.02 . 2 . . . . 63 GLN HB2 . 15116 1 680 . 1 1 62 62 GLN CG C 13 31.407 0.05 . 1 . . . . 63 GLN CG . 15116 1 681 . 1 1 62 62 GLN HG2 H 1 2.421 0.02 . 2 . . . . 63 GLN HG2 . 15116 1 682 . 1 1 63 63 LEU N N 15 117.000 0.05 . 1 . . . . 64 LEU N . 15116 1 683 . 1 1 63 63 LEU H H 1 8.214 0.02 . 1 . . . . 64 LEU HN . 15116 1 684 . 1 1 63 63 LEU CA C 13 53.312 0.05 . 1 . . . . 64 LEU CA . 15116 1 685 . 1 1 63 63 LEU HA H 1 4.213 0.02 . 1 . . . . 64 LEU HA . 15116 1 686 . 1 1 63 63 LEU CB C 13 41.354 0.05 . 1 . . . . 64 LEU CB . 15116 1 687 . 1 1 63 63 LEU HB2 H 1 2.013 0.02 . 2 . . . . 64 LEU HB2 . 15116 1 688 . 1 1 63 63 LEU HB3 H 1 1.409 0.02 . 2 . . . . 64 LEU HB3 . 15116 1 689 . 1 1 63 63 LEU CG C 13 23.882 0.05 . 1 . . . . 64 LEU CG . 15116 1 690 . 1 1 63 63 LEU HG H 1 1.936 0.02 . 1 . . . . 64 LEU HG . 15116 1 691 . 1 1 63 63 LEU CD1 C 13 23.278 0.05 . 1 . . . . 64 LEU CD1 . 15116 1 692 . 1 1 63 63 LEU HD11 H 1 0.706 0.02 . 1 . . . . 64 LEU HD1 . 15116 1 693 . 1 1 63 63 LEU HD12 H 1 0.706 0.02 . 1 . . . . 64 LEU HD1 . 15116 1 694 . 1 1 63 63 LEU HD13 H 1 0.706 0.02 . 1 . . . . 64 LEU HD1 . 15116 1 695 . 1 1 63 63 LEU CD2 C 13 18.838 0.05 . 1 . . . . 64 LEU CD2 . 15116 1 696 . 1 1 63 63 LEU HD21 H 1 0.564 0.02 . 1 . . . . 64 LEU HD2 . 15116 1 697 . 1 1 63 63 LEU HD22 H 1 0.564 0.02 . 1 . . . . 64 LEU HD2 . 15116 1 698 . 1 1 63 63 LEU HD23 H 1 0.564 0.02 . 1 . . . . 64 LEU HD2 . 15116 1 699 . 1 1 64 64 GLN N N 15 118.875 0.05 . 1 . . . . 65 GLN N . 15116 1 700 . 1 1 64 64 GLN H H 1 8.111 0.02 . 1 . . . . 65 GLN HN . 15116 1 701 . 1 1 64 64 GLN CA C 13 58.862 0.05 . 1 . . . . 65 GLN CA . 15116 1 702 . 1 1 64 64 GLN HA H 1 3.766 0.02 . 1 . . . . 65 GLN HA . 15116 1 703 . 1 1 64 64 GLN CB C 13 23.463 0.05 . 1 . . . . 65 GLN CB . 15116 1 704 . 1 1 64 64 GLN HB2 H 1 2.600 0.02 . 2 . . . . 65 GLN HB2 . 15116 1 705 . 1 1 64 64 GLN HB3 H 1 2.165 0.02 . 2 . . . . 65 GLN HB3 . 15116 1 706 . 1 1 64 64 GLN CG C 13 31.253 0.05 . 1 . . . . 65 GLN CG . 15116 1 707 . 1 1 64 64 GLN HG2 H 1 2.549 0.02 . 2 . . . . 65 GLN HG2 . 15116 1 708 . 1 1 64 64 GLN HG3 H 1 2.300 0.02 . 2 . . . . 65 GLN HG3 . 15116 1 709 . 1 1 65 65 PRO CA C 13 63.201 0.05 . 1 . . . . 66 PRO CA . 15116 1 710 . 1 1 65 65 PRO HA H 1 4.359 0.02 . 1 . . . . 66 PRO HA . 15116 1 711 . 1 1 65 65 PRO CB C 13 28.451 0.05 . 1 . . . . 66 PRO CB . 15116 1 712 . 1 1 65 65 PRO HB2 H 1 2.372 0.02 . 2 . . . . 66 PRO HB2 . 15116 1 713 . 1 1 65 65 PRO HB3 H 1 1.865 0.02 . 2 . . . . 66 PRO HB3 . 15116 1 714 . 1 1 65 65 PRO CG C 13 25.332 0.05 . 1 . . . . 66 PRO CG . 15116 1 715 . 1 1 65 65 PRO HG2 H 1 2.058 0.02 . 2 . . . . 66 PRO HG2 . 15116 1 716 . 1 1 65 65 PRO HG3 H 1 1.992 0.02 . 2 . . . . 66 PRO HG3 . 15116 1 717 . 1 1 65 65 PRO CD C 13 48.220 0.05 . 1 . . . . 66 PRO CD . 15116 1 718 . 1 1 65 65 PRO HD3 H 1 3.503 0.02 . 2 . . . . 66 PRO HD3 . 15116 1 719 . 1 1 65 65 PRO HD2 H 1 3.786 0.02 . 2 . . . . 66 PRO HD2 . 15116 1 720 . 1 1 66 66 SER N N 15 111.375 0.05 . 1 . . . . 67 SER N . 15116 1 721 . 1 1 66 66 SER H H 1 7.816 0.02 . 1 . . . . 67 SER HN . 15116 1 722 . 1 1 66 66 SER CA C 13 56.938 0.05 . 1 . . . . 67 SER CA . 15116 1 723 . 1 1 66 66 SER HA H 1 4.474 0.02 . 1 . . . . 67 SER HA . 15116 1 724 . 1 1 66 66 SER CB C 13 61.336 0.05 . 1 . . . . 67 SER CB . 15116 1 725 . 1 1 66 66 SER HB2 H 1 3.957 0.02 . 2 . . . . 67 SER HB2 . 15116 1 726 . 1 1 67 67 LEU N N 15 121.062 0.05 . 1 . . . . 68 LEU N . 15116 1 727 . 1 1 67 67 LEU H H 1 7.639 0.02 . 1 . . . . 68 LEU HN . 15116 1 728 . 1 1 67 67 LEU CA C 13 55.246 0.05 . 1 . . . . 68 LEU CA . 15116 1 729 . 1 1 67 67 LEU HA H 1 3.818 0.02 . 1 . . . . 68 LEU HA . 15116 1 730 . 1 1 67 67 LEU CB C 13 39.082 0.05 . 1 . . . . 68 LEU CB . 15116 1 731 . 1 1 67 67 LEU HB2 H 1 1.629 0.02 . 2 . . . . 68 LEU HB2 . 15116 1 732 . 1 1 67 67 LEU HB3 H 1 1.430 0.02 . 2 . . . . 68 LEU HB3 . 15116 1 733 . 1 1 67 67 LEU CG C 13 23.460 0.05 . 1 . . . . 68 LEU CG . 15116 1 734 . 1 1 67 67 LEU HG H 1 1.430 0.02 . 1 . . . . 68 LEU HG . 15116 1 735 . 1 1 67 67 LEU CD1 C 13 21.326 0.05 . 1 . . . . 68 LEU CD1 . 15116 1 736 . 1 1 67 67 LEU HD11 H 1 0.102 0.02 . 1 . . . . 68 LEU HD1 . 15116 1 737 . 1 1 67 67 LEU HD12 H 1 0.102 0.02 . 1 . . . . 68 LEU HD1 . 15116 1 738 . 1 1 67 67 LEU HD13 H 1 0.102 0.02 . 1 . . . . 68 LEU HD1 . 15116 1 739 . 1 1 67 67 LEU CD2 C 13 19.545 0.05 . 1 . . . . 68 LEU CD2 . 15116 1 740 . 1 1 67 67 LEU HD21 H 1 0.335 0.02 . 1 . . . . 68 LEU HD2 . 15116 1 741 . 1 1 67 67 LEU HD22 H 1 0.335 0.02 . 1 . . . . 68 LEU HD2 . 15116 1 742 . 1 1 67 67 LEU HD23 H 1 0.335 0.02 . 1 . . . . 68 LEU HD2 . 15116 1 743 . 1 1 68 68 GLN N N 15 116.375 0.05 . 1 . . . . 69 GLN N . 15116 1 744 . 1 1 68 68 GLN H H 1 8.052 0.02 . 1 . . . . 69 GLN HN . 15116 1 745 . 1 1 68 68 GLN CA C 13 55.767 0.05 . 1 . . . . 69 GLN CA . 15116 1 746 . 1 1 68 68 GLN HA H 1 4.077 0.02 . 1 . . . . 69 GLN HA . 15116 1 747 . 1 1 68 68 GLN CB C 13 25.780 0.05 . 1 . . . . 69 GLN CB . 15116 1 748 . 1 1 68 68 GLN HB2 H 1 2.125 0.02 . 2 . . . . 69 GLN HB2 . 15116 1 749 . 1 1 68 68 GLN HB3 H 1 1.748 0.02 . 2 . . . . 69 GLN HB3 . 15116 1 750 . 1 1 68 68 GLN CG C 13 31.119 0.05 . 1 . . . . 69 GLN CG . 15116 1 751 . 1 1 68 68 GLN HG2 H 1 2.392 0.02 . 2 . . . . 69 GLN HG2 . 15116 1 752 . 1 1 68 68 GLN C C 13 175.700 0.05 . 1 . . . . 69 GLN C . 15116 1 753 . 1 1 69 69 THR N N 15 106.688 0.05 . 1 . . . . 70 THR N . 15116 1 754 . 1 1 69 69 THR H H 1 7.506 0.02 . 1 . . . . 70 THR HN . 15116 1 755 . 1 1 69 69 THR CA C 13 58.852 0.05 . 1 . . . . 70 THR CA . 15116 1 756 . 1 1 69 69 THR HA H 1 4.470 0.02 . 1 . . . . 70 THR HA . 15116 1 757 . 1 1 69 69 THR CB C 13 66.758 0.05 . 1 . . . . 70 THR CB . 15116 1 758 . 1 1 69 69 THR HB H 1 4.492 0.02 . 1 . . . . 70 THR HB . 15116 1 759 . 1 1 69 69 THR CG2 C 13 18.903 0.05 . 1 . . . . 70 THR CG2 . 15116 1 760 . 1 1 69 69 THR HG21 H 1 1.192 0.02 . 1 . . . . 70 THR HG2 . 15116 1 761 . 1 1 69 69 THR HG22 H 1 1.192 0.02 . 1 . . . . 70 THR HG2 . 15116 1 762 . 1 1 69 69 THR HG23 H 1 1.192 0.02 . 1 . . . . 70 THR HG2 . 15116 1 763 . 1 1 70 70 GLY N N 15 109.812 0.05 . 1 . . . . 71 GLY N . 15116 1 764 . 1 1 70 70 GLY H H 1 7.683 0.02 . 1 . . . . 71 GLY HN . 15116 1 765 . 1 1 70 70 GLY CA C 13 42.788 0.05 . 1 . . . . 71 GLY CA . 15116 1 766 . 1 1 70 70 GLY HA2 H 1 4.128 0.02 . 2 . . . . 71 GLY HA2 . 15116 1 767 . 1 1 70 70 GLY HA3 H 1 3.884 0.02 . 2 . . . . 71 GLY HA3 . 15116 1 768 . 1 1 71 71 SER N N 15 114.500 0.05 . 1 . . . . 72 SER N . 15116 1 769 . 1 1 71 71 SER H H 1 8.022 0.02 . 1 . . . . 72 SER HN . 15116 1 770 . 1 1 71 71 SER CA C 13 54.677 0.05 . 1 . . . . 72 SER CA . 15116 1 771 . 1 1 71 71 SER HA H 1 4.610 0.02 . 1 . . . . 72 SER HA . 15116 1 772 . 1 1 71 71 SER CB C 13 62.027 0.05 . 1 . . . . 72 SER CB . 15116 1 773 . 1 1 71 71 SER HB2 H 1 4.342 0.02 . 2 . . . . 72 SER HB2 . 15116 1 774 . 1 1 71 71 SER HB3 H 1 3.838 0.02 . 2 . . . . 72 SER HB3 . 15116 1 775 . 1 1 72 72 GLU N N 15 123.875 0.05 . 1 . . . . 73 GLU N . 15116 1 776 . 1 1 72 72 GLU H H 1 9.084 0.02 . 1 . . . . 73 GLU HN . 15116 1 777 . 1 1 72 72 GLU CA C 13 56.859 0.05 . 1 . . . . 73 GLU CA . 15116 1 778 . 1 1 72 72 GLU HA H 1 4.118 0.02 . 1 . . . . 73 GLU HA . 15116 1 779 . 1 1 72 72 GLU CB C 13 26.599 0.05 . 1 . . . . 73 GLU CB . 15116 1 780 . 1 1 72 72 GLU HB2 H 1 2.110 0.02 . 2 . . . . 73 GLU HB2 . 15116 1 781 . 1 1 72 72 GLU HB3 H 1 2.014 0.02 . 2 . . . . 73 GLU HB3 . 15116 1 782 . 1 1 72 72 GLU CG C 13 33.375 0.05 . 1 . . . . 73 GLU CG . 15116 1 783 . 1 1 72 72 GLU HG2 H 1 2.362 0.02 . 2 . . . . 73 GLU HG2 . 15116 1 784 . 1 1 73 73 GLU N N 15 120.264 0.05 . 1 . . . . 74 GLU N . 15116 1 785 . 1 1 73 73 GLU H H 1 8.569 0.02 . 1 . . . . 74 GLU HN . 15116 1 786 . 1 1 73 73 GLU CA C 13 57.541 0.05 . 1 . . . . 74 GLU CA . 15116 1 787 . 1 1 73 73 GLU HA H 1 4.273 0.02 . 1 . . . . 74 GLU HA . 15116 1 788 . 1 1 73 73 GLU CB C 13 26.712 0.05 . 1 . . . . 74 GLU CB . 15116 1 789 . 1 1 73 73 GLU HB2 H 1 2.194 0.02 . 2 . . . . 74 GLU HB2 . 15116 1 790 . 1 1 73 73 GLU HB3 H 1 2.127 0.02 . 2 . . . . 74 GLU HB3 . 15116 1 791 . 1 1 73 73 GLU CG C 13 33.946 0.05 . 1 . . . . 74 GLU CG . 15116 1 792 . 1 1 73 73 GLU HG2 H 1 2.527 0.02 . 2 . . . . 74 GLU HG2 . 15116 1 793 . 1 1 74 74 LEU N N 15 121.375 0.05 . 1 . . . . 75 LEU N . 15116 1 794 . 1 1 74 74 LEU H H 1 7.757 0.02 . 1 . . . . 75 LEU HN . 15116 1 795 . 1 1 74 74 LEU CA C 13 55.927 0.05 . 1 . . . . 75 LEU CA . 15116 1 796 . 1 1 74 74 LEU HA H 1 4.128 0.02 . 1 . . . . 75 LEU HA . 15116 1 797 . 1 1 74 74 LEU CB C 13 38.450 0.05 . 1 . . . . 75 LEU CB . 15116 1 798 . 1 1 74 74 LEU HB2 H 1 1.856 0.02 . 2 . . . . 75 LEU HB2 . 15116 1 799 . 1 1 74 74 LEU HB3 H 1 1.732 0.02 . 2 . . . . 75 LEU HB3 . 15116 1 800 . 1 1 74 74 LEU CG C 13 24.963 0.05 . 1 . . . . 75 LEU CG . 15116 1 801 . 1 1 74 74 LEU HG H 1 1.670 0.02 . 1 . . . . 75 LEU HG . 15116 1 802 . 1 1 74 74 LEU CD1 C 13 21.930 0.05 . 1 . . . . 75 LEU CD1 . 15116 1 803 . 1 1 74 74 LEU HD11 H 1 0.804 0.02 . 1 . . . . 75 LEU HD1 . 15116 1 804 . 1 1 74 74 LEU HD12 H 1 0.804 0.02 . 1 . . . . 75 LEU HD1 . 15116 1 805 . 1 1 74 74 LEU HD13 H 1 0.804 0.02 . 1 . . . . 75 LEU HD1 . 15116 1 806 . 1 1 74 74 LEU CD2 C 13 22.376 0.05 . 1 . . . . 75 LEU CD2 . 15116 1 807 . 1 1 74 74 LEU HD21 H 1 0.805 0.02 . 1 . . . . 75 LEU HD2 . 15116 1 808 . 1 1 74 74 LEU HD22 H 1 0.805 0.02 . 1 . . . . 75 LEU HD2 . 15116 1 809 . 1 1 74 74 LEU HD23 H 1 0.805 0.02 . 1 . . . . 75 LEU HD2 . 15116 1 810 . 1 1 75 75 ARG N N 15 119.500 0.05 . 1 . . . . 76 ARG N . 15116 1 811 . 1 1 75 75 ARG H H 1 7.845 0.02 . 1 . . . . 76 ARG HN . 15116 1 812 . 1 1 75 75 ARG CA C 13 57.023 0.05 . 1 . . . . 76 ARG CA . 15116 1 813 . 1 1 75 75 ARG HA H 1 3.878 0.02 . 1 . . . . 76 ARG HA . 15116 1 814 . 1 1 75 75 ARG CB C 13 26.732 0.05 . 1 . . . . 76 ARG CB . 15116 1 815 . 1 1 75 75 ARG HB2 H 1 2.021 0.02 . 2 . . . . 76 ARG HB2 . 15116 1 816 . 1 1 75 75 ARG CG C 13 24.705 0.05 . 1 . . . . 76 ARG CG . 15116 1 817 . 1 1 75 75 ARG HG2 H 1 1.689 0.02 . 2 . . . . 76 ARG HG2 . 15116 1 818 . 1 1 75 75 ARG CD C 13 40.374 0.05 . 1 . . . . 76 ARG CD . 15116 1 819 . 1 1 75 75 ARG HD2 H 1 3.321 0.02 . 2 . . . . 76 ARG HD2 . 15116 1 820 . 1 1 76 76 SER N N 15 114.188 0.05 . 1 . . . . 77 SER N . 15116 1 821 . 1 1 76 76 SER H H 1 8.553 0.02 . 1 . . . . 77 SER HN . 15116 1 822 . 1 1 76 76 SER CA C 13 60.070 0.05 . 1 . . . . 77 SER CA . 15116 1 823 . 1 1 76 76 SER HA H 1 4.249 0.02 . 1 . . . . 77 SER HA . 15116 1 824 . 1 1 76 76 SER CB C 13 60.068 0.05 . 1 . . . . 77 SER CB . 15116 1 825 . 1 1 76 76 SER HB2 H 1 4.257 0.02 . 2 . . . . 77 SER HB2 . 15116 1 826 . 1 1 77 77 LEU N N 15 125.750 0.05 . 1 . . . . 78 LEU N . 15116 1 827 . 1 1 77 77 LEU H H 1 8.435 0.02 . 1 . . . . 78 LEU HN . 15116 1 828 . 1 1 77 77 LEU CA C 13 56.358 0.05 . 1 . . . . 78 LEU CA . 15116 1 829 . 1 1 77 77 LEU HA H 1 4.441 0.02 . 1 . . . . 78 LEU HA . 15116 1 830 . 1 1 77 77 LEU CB C 13 39.491 0.05 . 1 . . . . 78 LEU CB . 15116 1 831 . 1 1 77 77 LEU HB2 H 1 2.376 0.02 . 2 . . . . 78 LEU HB2 . 15116 1 832 . 1 1 77 77 LEU HB3 H 1 1.762 0.02 . 2 . . . . 78 LEU HB3 . 15116 1 833 . 1 1 77 77 LEU CG C 13 24.498 0.05 . 1 . . . . 78 LEU CG . 15116 1 834 . 1 1 77 77 LEU HG H 1 1.536 0.02 . 1 . . . . 78 LEU HG . 15116 1 835 . 1 1 77 77 LEU CD1 C 13 21.685 0.05 . 1 . . . . 78 LEU CD1 . 15116 1 836 . 1 1 77 77 LEU HD11 H 1 0.819 0.02 . 1 . . . . 78 LEU HD1 . 15116 1 837 . 1 1 77 77 LEU HD12 H 1 0.819 0.02 . 1 . . . . 78 LEU HD1 . 15116 1 838 . 1 1 77 77 LEU HD13 H 1 0.819 0.02 . 1 . . . . 78 LEU HD1 . 15116 1 839 . 1 1 77 77 LEU CD2 C 13 23.141 0.05 . 1 . . . . 78 LEU CD2 . 15116 1 840 . 1 1 77 77 LEU HD21 H 1 0.778 0.02 . 1 . . . . 78 LEU HD2 . 15116 1 841 . 1 1 77 77 LEU HD22 H 1 0.778 0.02 . 1 . . . . 78 LEU HD2 . 15116 1 842 . 1 1 77 77 LEU HD23 H 1 0.778 0.02 . 1 . . . . 78 LEU HD2 . 15116 1 843 . 1 1 78 78 TYR N N 15 120.375 0.05 . 1 . . . . 79 TYR N . 15116 1 844 . 1 1 78 78 TYR H H 1 8.671 0.02 . 1 . . . . 79 TYR HN . 15116 1 845 . 1 1 78 78 TYR CA C 13 60.103 0.05 . 1 . . . . 79 TYR CA . 15116 1 846 . 1 1 78 78 TYR HA H 1 3.657 0.02 . 1 . . . . 79 TYR HA . 15116 1 847 . 1 1 78 78 TYR CB C 13 37.010 0.05 . 1 . . . . 79 TYR CB . 15116 1 848 . 1 1 78 78 TYR HB2 H 1 3.290 0.02 . 2 . . . . 79 TYR HB2 . 15116 1 849 . 1 1 78 78 TYR HB3 H 1 2.693 0.02 . 2 . . . . 79 TYR HB3 . 15116 1 850 . 1 1 78 78 TYR CD1 C 13 130.789 0.05 . 1 . . . . 79 TYR CD1 . 15116 1 851 . 1 1 78 78 TYR HD1 H 1 7.065 0.02 . 1 . . . . 79 TYR HD1 . 15116 1 852 . 1 1 78 78 TYR CE1 C 13 115.769 0.05 . 1 . . . . 79 TYR CE1 . 15116 1 853 . 1 1 78 78 TYR HE1 H 1 6.826 0.02 . 1 . . . . 79 TYR HE1 . 15116 1 854 . 1 1 79 79 ASN N N 15 117.000 0.05 . 1 . . . . 80 ASN N . 15116 1 855 . 1 1 79 79 ASN H H 1 8.863 0.02 . 1 . . . . 80 ASN HN . 15116 1 856 . 1 1 79 79 ASN CA C 13 53.129 0.05 . 1 . . . . 80 ASN CA . 15116 1 857 . 1 1 79 79 ASN HA H 1 4.354 0.02 . 1 . . . . 80 ASN HA . 15116 1 858 . 1 1 79 79 ASN CB C 13 35.129 0.05 . 1 . . . . 80 ASN CB . 15116 1 859 . 1 1 79 79 ASN HB2 H 1 2.982 0.02 . 2 . . . . 80 ASN HB2 . 15116 1 860 . 1 1 79 79 ASN HB3 H 1 2.745 0.02 . 2 . . . . 80 ASN HB3 . 15116 1 861 . 1 1 80 80 THR N N 15 115.750 0.05 . 1 . . . . 81 THR N . 15116 1 862 . 1 1 80 80 THR H H 1 8.096 0.02 . 1 . . . . 81 THR HN . 15116 1 863 . 1 1 80 80 THR CA C 13 65.142 0.05 . 1 . . . . 81 THR CA . 15116 1 864 . 1 1 80 80 THR HA H 1 3.917 0.02 . 1 . . . . 81 THR HA . 15116 1 865 . 1 1 80 80 THR CB C 13 66.645 0.05 . 1 . . . . 81 THR CB . 15116 1 866 . 1 1 80 80 THR HB H 1 4.755 0.02 . 1 . . . . 81 THR HB . 15116 1 867 . 1 1 80 80 THR CG2 C 13 18.319 0.05 . 1 . . . . 81 THR CG2 . 15116 1 868 . 1 1 80 80 THR HG21 H 1 1.441 0.02 . 1 . . . . 81 THR HG2 . 15116 1 869 . 1 1 80 80 THR HG22 H 1 1.441 0.02 . 1 . . . . 81 THR HG2 . 15116 1 870 . 1 1 80 80 THR HG23 H 1 1.441 0.02 . 1 . . . . 81 THR HG2 . 15116 1 871 . 1 1 81 81 ILE N N 15 121.062 0.05 . 1 . . . . 82 ILE N . 15116 1 872 . 1 1 81 81 ILE H H 1 8.022 0.02 . 1 . . . . 82 ILE HN . 15116 1 873 . 1 1 81 81 ILE CA C 13 61.411 0.05 . 1 . . . . 82 ILE CA . 15116 1 874 . 1 1 81 81 ILE HA H 1 3.644 0.02 . 1 . . . . 82 ILE HA . 15116 1 875 . 1 1 81 81 ILE CB C 13 33.881 0.05 . 1 . . . . 82 ILE CB . 15116 1 876 . 1 1 81 81 ILE HB H 1 1.866 0.02 . 1 . . . . 82 ILE HB . 15116 1 877 . 1 1 81 81 ILE CG1 C 13 26.189 0.05 . 1 . . . . 82 ILE CG1 . 15116 1 878 . 1 1 81 81 ILE HG12 H 1 1.222 0.02 . 9 . . . . 82 ILE HG12 . 15116 1 879 . 1 1 81 81 ILE HG13 H 1 1.698 0.02 . 9 . . . . 82 ILE HG13 . 15116 1 880 . 1 1 81 81 ILE CD1 C 13 11.341 0.05 . 1 . . . . 82 ILE CD1 . 15116 1 881 . 1 1 81 81 ILE HD11 H 1 0.809 0.02 . 1 . . . . 82 ILE HD1 . 15116 1 882 . 1 1 81 81 ILE HD12 H 1 0.809 0.02 . 1 . . . . 82 ILE HD1 . 15116 1 883 . 1 1 81 81 ILE HD13 H 1 0.809 0.02 . 1 . . . . 82 ILE HD1 . 15116 1 884 . 1 1 81 81 ILE CG2 C 13 15.256 0.05 . 1 . . . . 82 ILE CG2 . 15116 1 885 . 1 1 81 81 ILE HG21 H 1 0.819 0.02 . 1 . . . . 82 ILE HG2 . 15116 1 886 . 1 1 81 81 ILE HG22 H 1 0.819 0.02 . 1 . . . . 82 ILE HG2 . 15116 1 887 . 1 1 81 81 ILE HG23 H 1 0.819 0.02 . 1 . . . . 82 ILE HG2 . 15116 1 888 . 1 1 82 82 ALA N N 15 125.125 0.05 . 1 . . . . 83 ALA N . 15116 1 889 . 1 1 82 82 ALA H H 1 8.759 0.02 . 1 . . . . 83 ALA HN . 15116 1 890 . 1 1 82 82 ALA CA C 13 53.136 0.05 . 1 . . . . 83 ALA CA . 15116 1 891 . 1 1 82 82 ALA HA H 1 3.885 0.02 . 1 . . . . 83 ALA HA . 15116 1 892 . 1 1 82 82 ALA CB C 13 15.103 0.05 . 1 . . . . 83 ALA CB . 15116 1 893 . 1 1 82 82 ALA HB1 H 1 1.306 0.02 . 1 . . . . 83 ALA HB1 . 15116 1 894 . 1 1 82 82 ALA HB2 H 1 1.306 0.02 . 1 . . . . 83 ALA HB1 . 15116 1 895 . 1 1 82 82 ALA HB3 H 1 1.306 0.02 . 1 . . . . 83 ALA HB1 . 15116 1 896 . 1 1 83 83 VAL N N 15 117.312 0.05 . 1 . . . . 84 VAL N . 15116 1 897 . 1 1 83 83 VAL H H 1 7.801 0.02 . 1 . . . . 84 VAL HN . 15116 1 898 . 1 1 83 83 VAL CA C 13 64.662 0.05 . 1 . . . . 84 VAL CA . 15116 1 899 . 1 1 83 83 VAL HA H 1 3.338 0.02 . 1 . . . . 84 VAL HA . 15116 1 900 . 1 1 83 83 VAL CB C 13 28.256 0.05 . 1 . . . . 84 VAL CB . 15116 1 901 . 1 1 83 83 VAL HB H 1 1.982 0.02 . 1 . . . . 84 VAL HB . 15116 1 902 . 1 1 83 83 VAL CG2 C 13 20.787 0.05 . 1 . . . . 84 VAL CG2 . 15116 1 903 . 1 1 83 83 VAL HG21 H 1 0.939 0.02 . 1 . . . . 84 VAL HG2 . 15116 1 904 . 1 1 83 83 VAL HG22 H 1 0.939 0.02 . 1 . . . . 84 VAL HG2 . 15116 1 905 . 1 1 83 83 VAL HG23 H 1 0.939 0.02 . 1 . . . . 84 VAL HG2 . 15116 1 906 . 1 1 83 83 VAL CG1 C 13 21.978 0.05 . 1 . . . . 84 VAL CG1 . 15116 1 907 . 1 1 83 83 VAL HG11 H 1 0.374 0.02 . 1 . . . . 84 VAL HG1 . 15116 1 908 . 1 1 83 83 VAL HG12 H 1 0.374 0.02 . 1 . . . . 84 VAL HG1 . 15116 1 909 . 1 1 83 83 VAL HG13 H 1 0.374 0.02 . 1 . . . . 84 VAL HG1 . 15116 1 910 . 1 1 84 84 LEU N N 15 122.000 0.05 . 1 . . . . 85 LEU N . 15116 1 911 . 1 1 84 84 LEU H H 1 8.140 0.02 . 1 . . . . 85 LEU HN . 15116 1 912 . 1 1 84 84 LEU CA C 13 55.714 0.05 . 1 . . . . 85 LEU CA . 15116 1 913 . 1 1 84 84 LEU HA H 1 3.827 0.02 . 1 . . . . 85 LEU HA . 15116 1 914 . 1 1 84 84 LEU CB C 13 39.387 0.05 . 1 . . . . 85 LEU CB . 15116 1 915 . 1 1 84 84 LEU HB2 H 1 1.853 0.02 . 2 . . . . 85 LEU HB2 . 15116 1 916 . 1 1 84 84 LEU HB3 H 1 1.558 0.02 . 2 . . . . 85 LEU HB3 . 15116 1 917 . 1 1 84 84 LEU CG C 13 24.010 0.05 . 1 . . . . 85 LEU CG . 15116 1 918 . 1 1 84 84 LEU HG H 1 1.418 0.02 . 1 . . . . 85 LEU HG . 15116 1 919 . 1 1 84 84 LEU CD1 C 13 23.151 0.05 . 1 . . . . 85 LEU CD1 . 15116 1 920 . 1 1 84 84 LEU HD11 H 1 0.501 0.02 . 1 . . . . 85 LEU HD1 . 15116 1 921 . 1 1 84 84 LEU HD12 H 1 0.501 0.02 . 1 . . . . 85 LEU HD1 . 15116 1 922 . 1 1 84 84 LEU HD13 H 1 0.501 0.02 . 1 . . . . 85 LEU HD1 . 15116 1 923 . 1 1 84 84 LEU CD2 C 13 20.670 0.05 . 1 . . . . 85 LEU CD2 . 15116 1 924 . 1 1 84 84 LEU HD21 H 1 0.279 0.02 . 1 . . . . 85 LEU HD2 . 15116 1 925 . 1 1 84 84 LEU HD22 H 1 0.279 0.02 . 1 . . . . 85 LEU HD2 . 15116 1 926 . 1 1 84 84 LEU HD23 H 1 0.279 0.02 . 1 . . . . 85 LEU HD2 . 15116 1 927 . 1 1 85 85 TYR N N 15 118.875 0.05 . 1 . . . . 86 TYR N . 15116 1 928 . 1 1 85 85 TYR H H 1 9.054 0.02 . 1 . . . . 86 TYR HN . 15116 1 929 . 1 1 85 85 TYR CA C 13 60.033 0.05 . 1 . . . . 86 TYR CA . 15116 1 930 . 1 1 85 85 TYR HA H 1 3.950 0.02 . 1 . . . . 86 TYR HA . 15116 1 931 . 1 1 85 85 TYR CB C 13 35.700 0.05 . 1 . . . . 86 TYR CB . 15116 1 932 . 1 1 85 85 TYR HB2 H 1 3.441 0.02 . 2 . . . . 86 TYR HB2 . 15116 1 933 . 1 1 85 85 TYR HB3 H 1 2.902 0.02 . 2 . . . . 86 TYR HB3 . 15116 1 934 . 1 1 85 85 TYR CD1 C 13 130.751 0.05 . 1 . . . . 86 TYR CD1 . 15116 1 935 . 1 1 85 85 TYR HD1 H 1 7.170 0.02 . 1 . . . . 86 TYR HD1 . 15116 1 936 . 1 1 85 85 TYR CE1 C 13 115.737 0.05 . 1 . . . . 86 TYR CE1 . 15116 1 937 . 1 1 85 85 TYR HE1 H 1 6.660 0.02 . 1 . . . . 86 TYR HE1 . 15116 1 938 . 1 1 85 85 TYR CE2 C 13 115.550 0.05 . 1 . . . . 86 TYR CE2 . 15116 1 939 . 1 1 85 85 TYR HE2 H 1 6.747 0.02 . 1 . . . . 86 TYR HE2 . 15116 1 940 . 1 1 85 85 TYR CD2 C 13 130.808 0.05 . 1 . . . . 86 TYR CD2 . 15116 1 941 . 1 1 85 85 TYR HD2 H 1 7.135 0.02 . 1 . . . . 86 TYR HD2 . 15116 1 942 . 1 1 86 86 CYS N N 15 116.085 0.05 . 1 . . . . 87 CYS N . 15116 1 943 . 1 1 86 86 CYS H H 1 7.550 0.02 . 1 . . . . 87 CYS HN . 15116 1 944 . 1 1 86 86 CYS CA C 13 63.472 0.05 . 1 . . . . 87 CYS CA . 15116 1 945 . 1 1 86 86 CYS HA H 1 3.677 0.02 . 1 . . . . 87 CYS HA . 15116 1 946 . 1 1 86 86 CYS CB C 13 43.911 0.05 . 1 . . . . 87 CYS CB . 15116 1 947 . 1 1 86 86 CYS HB2 H 1 3.368 0.02 . 2 . . . . 87 CYS HB2 . 15116 1 948 . 1 1 86 86 CYS HB3 H 1 2.849 0.02 . 2 . . . . 87 CYS HB3 . 15116 1 949 . 1 1 87 87 VAL N N 15 120.438 0.05 . 1 . . . . 88 VAL N . 15116 1 950 . 1 1 87 87 VAL H H 1 8.302 0.02 . 1 . . . . 88 VAL HN . 15116 1 951 . 1 1 87 87 VAL CA C 13 63.741 0.05 . 1 . . . . 88 VAL CA . 15116 1 952 . 1 1 87 87 VAL HA H 1 3.857 0.02 . 1 . . . . 88 VAL HA . 15116 1 953 . 1 1 87 87 VAL CB C 13 28.529 0.05 . 1 . . . . 88 VAL CB . 15116 1 954 . 1 1 87 87 VAL HB H 1 2.126 0.02 . 1 . . . . 88 VAL HB . 15116 1 955 . 1 1 87 87 VAL CG2 C 13 20.882 0.05 . 1 . . . . 88 VAL CG2 . 15116 1 956 . 1 1 87 87 VAL HG21 H 1 1.067 0.02 . 1 . . . . 88 VAL HG2 . 15116 1 957 . 1 1 87 87 VAL HG22 H 1 1.067 0.02 . 1 . . . . 88 VAL HG2 . 15116 1 958 . 1 1 87 87 VAL HG23 H 1 1.067 0.02 . 1 . . . . 88 VAL HG2 . 15116 1 959 . 1 1 87 87 VAL CG1 C 13 18.802 0.05 . 1 . . . . 88 VAL CG1 . 15116 1 960 . 1 1 87 87 VAL HG11 H 1 0.912 0.02 . 1 . . . . 88 VAL HG1 . 15116 1 961 . 1 1 87 87 VAL HG12 H 1 0.912 0.02 . 1 . . . . 88 VAL HG1 . 15116 1 962 . 1 1 87 87 VAL HG13 H 1 0.912 0.02 . 1 . . . . 88 VAL HG1 . 15116 1 963 . 1 1 88 88 HIS N N 15 120.125 0.05 . 1 . . . . 89 HIS N . 15116 1 964 . 1 1 88 88 HIS H H 1 8.789 0.02 . 1 . . . . 89 HIS HN . 15116 1 965 . 1 1 88 88 HIS CA C 13 55.695 0.05 . 1 . . . . 89 HIS CA . 15116 1 966 . 1 1 88 88 HIS HA H 1 4.615 0.02 . 1 . . . . 89 HIS HA . 15116 1 967 . 1 1 88 88 HIS CB C 13 27.943 0.05 . 1 . . . . 89 HIS CB . 15116 1 968 . 1 1 88 88 HIS HB3 H 1 3.067 0.02 . 2 . . . . 89 HIS HB3 . 15116 1 969 . 1 1 88 88 HIS HB2 H 1 3.250 0.02 . 2 . . . . 89 HIS HB2 . 15116 1 970 . 1 1 88 88 HIS CD2 C 13 115.606 0.05 . 1 . . . . 89 HIS CD2 . 15116 1 971 . 1 1 88 88 HIS HD2 H 1 6.757 0.02 . 1 . . . . 89 HIS HD2 . 15116 1 972 . 1 1 88 88 HIS HE1 H 1 7.209 0.02 . 1 . . . . 89 HIS HE1 . 15116 1 973 . 1 1 89 89 GLN N N 15 115.750 0.05 . 1 . . . . 90 GLN N . 15116 1 974 . 1 1 89 89 GLN H H 1 7.816 0.02 . 1 . . . . 90 GLN HN . 15116 1 975 . 1 1 89 89 GLN CA C 13 52.701 0.05 . 1 . . . . 90 GLN CA . 15116 1 976 . 1 1 89 89 GLN HA H 1 4.366 0.02 . 1 . . . . 90 GLN HA . 15116 1 977 . 1 1 89 89 GLN CB C 13 28.285 0.05 . 1 . . . . 90 GLN CB . 15116 1 978 . 1 1 89 89 GLN HB2 H 1 2.010 0.02 . 2 . . . . 90 GLN HB2 . 15116 1 979 . 1 1 89 89 GLN HB3 H 1 1.668 0.02 . 2 . . . . 90 GLN HB3 . 15116 1 980 . 1 1 89 89 GLN CG C 13 30.735 0.05 . 1 . . . . 90 GLN CG . 15116 1 981 . 1 1 89 89 GLN HG2 H 1 1.782 0.02 . 2 . . . . 90 GLN HG2 . 15116 1 982 . 1 1 90 90 ARG N N 15 115.750 0.05 . 1 . . . . 91 ARG N . 15116 1 983 . 1 1 90 90 ARG H H 1 7.949 0.02 . 1 . . . . 91 ARG HN . 15116 1 984 . 1 1 90 90 ARG CA C 13 54.411 0.05 . 1 . . . . 91 ARG CA . 15116 1 985 . 1 1 90 90 ARG HA H 1 3.954 0.02 . 1 . . . . 91 ARG HA . 15116 1 986 . 1 1 90 90 ARG CB C 13 23.443 0.05 . 1 . . . . 91 ARG CB . 15116 1 987 . 1 1 90 90 ARG HB2 H 1 2.092 0.02 . 2 . . . . 91 ARG HB2 . 15116 1 988 . 1 1 90 90 ARG HB3 H 1 1.995 0.02 . 2 . . . . 91 ARG HB3 . 15116 1 989 . 1 1 90 90 ARG CG C 13 24.954 0.05 . 1 . . . . 91 ARG CG . 15116 1 990 . 1 1 90 90 ARG HG2 H 1 1.596 0.02 . 2 . . . . 91 ARG HG2 . 15116 1 991 . 1 1 90 90 ARG CD C 13 40.783 0.05 . 1 . . . . 91 ARG CD . 15116 1 992 . 1 1 90 90 ARG HD2 H 1 3.193 0.02 . 2 . . . . 91 ARG HD2 . 15116 1 993 . 1 1 91 91 ILE N N 15 120.438 0.05 . 1 . . . . 92 ILE N . 15116 1 994 . 1 1 91 91 ILE H H 1 8.302 0.02 . 1 . . . . 92 ILE HN . 15116 1 995 . 1 1 91 91 ILE CA C 13 58.145 0.05 . 1 . . . . 92 ILE CA . 15116 1 996 . 1 1 91 91 ILE HA H 1 4.014 0.02 . 1 . . . . 92 ILE HA . 15116 1 997 . 1 1 91 91 ILE CB C 13 36.428 0.05 . 1 . . . . 92 ILE CB . 15116 1 998 . 1 1 91 91 ILE HB H 1 1.523 0.02 . 1 . . . . 92 ILE HB . 15116 1 999 . 1 1 91 91 ILE CG1 C 13 24.530 0.05 . 1 . . . . 92 ILE CG1 . 15116 1 1000 . 1 1 91 91 ILE HG12 H 1 1.459 0.02 . 9 . . . . 92 ILE HG12 . 15116 1 1001 . 1 1 91 91 ILE HG13 H 1 0.939 0.02 . 9 . . . . 92 ILE HG13 . 15116 1 1002 . 1 1 91 91 ILE CD1 C 13 10.794 0.05 . 1 . . . . 92 ILE CD1 . 15116 1 1003 . 1 1 91 91 ILE HD11 H 1 0.840 0.02 . 1 . . . . 92 ILE HD1 . 15116 1 1004 . 1 1 91 91 ILE HD12 H 1 0.840 0.02 . 1 . . . . 92 ILE HD1 . 15116 1 1005 . 1 1 91 91 ILE HD13 H 1 0.840 0.02 . 1 . . . . 92 ILE HD1 . 15116 1 1006 . 1 1 91 91 ILE CG2 C 13 15.115 0.05 . 1 . . . . 92 ILE CG2 . 15116 1 1007 . 1 1 91 91 ILE HG21 H 1 0.798 0.02 . 1 . . . . 92 ILE HG2 . 15116 1 1008 . 1 1 91 91 ILE HG22 H 1 0.798 0.02 . 1 . . . . 92 ILE HG2 . 15116 1 1009 . 1 1 91 91 ILE HG23 H 1 0.798 0.02 . 1 . . . . 92 ILE HG2 . 15116 1 1010 . 1 1 92 92 ASP N N 15 129.188 0.05 . 1 . . . . 93 ASP N . 15116 1 1011 . 1 1 92 92 ASP H H 1 8.597 0.02 . 1 . . . . 93 ASP HN . 15116 1 1012 . 1 1 92 92 ASP CA C 13 52.106 0.05 . 1 . . . . 93 ASP CA . 15116 1 1013 . 1 1 92 92 ASP HA H 1 4.480 0.02 . 1 . . . . 93 ASP HA . 15116 1 1014 . 1 1 92 92 ASP CB C 13 37.691 0.05 . 1 . . . . 93 ASP CB . 15116 1 1015 . 1 1 92 92 ASP HB2 H 1 2.685 0.02 . 2 . . . . 93 ASP HB2 . 15116 1 1016 . 1 1 92 92 ASP HB3 H 1 2.414 0.02 . 2 . . . . 93 ASP HB3 . 15116 1 1017 . 1 1 93 93 VAL N N 15 116.062 0.05 . 1 . . . . 94 VAL N . 15116 1 1018 . 1 1 93 93 VAL H H 1 7.742 0.02 . 1 . . . . 94 VAL HN . 15116 1 1019 . 1 1 93 93 VAL CA C 13 56.393 0.05 . 1 . . . . 94 VAL CA . 15116 1 1020 . 1 1 93 93 VAL HA H 1 4.610 0.02 . 1 . . . . 94 VAL HA . 15116 1 1021 . 1 1 93 93 VAL CB C 13 32.580 0.05 . 1 . . . . 94 VAL CB . 15116 1 1022 . 1 1 93 93 VAL HB H 1 2.126 0.02 . 1 . . . . 94 VAL HB . 15116 1 1023 . 1 1 93 93 VAL CG2 C 13 19.637 0.05 . 1 . . . . 94 VAL CG2 . 15116 1 1024 . 1 1 93 93 VAL HG21 H 1 0.892 0.02 . 1 . . . . 94 VAL HG2 . 15116 1 1025 . 1 1 93 93 VAL HG22 H 1 0.892 0.02 . 1 . . . . 94 VAL HG2 . 15116 1 1026 . 1 1 93 93 VAL HG23 H 1 0.892 0.02 . 1 . . . . 94 VAL HG2 . 15116 1 1027 . 1 1 93 93 VAL CG1 C 13 16.543 0.05 . 1 . . . . 94 VAL CG1 . 15116 1 1028 . 1 1 93 93 VAL HG11 H 1 0.819 0.02 . 1 . . . . 94 VAL HG1 . 15116 1 1029 . 1 1 93 93 VAL HG12 H 1 0.819 0.02 . 1 . . . . 94 VAL HG1 . 15116 1 1030 . 1 1 93 93 VAL HG13 H 1 0.819 0.02 . 1 . . . . 94 VAL HG1 . 15116 1 1031 . 1 1 94 94 LYS N N 15 118.875 0.05 . 1 . . . . 95 LYS N . 15116 1 1032 . 1 1 94 94 LYS H H 1 9.231 0.02 . 1 . . . . 95 LYS HN . 15116 1 1033 . 1 1 94 94 LYS CA C 13 53.882 0.05 . 1 . . . . 95 LYS CA . 15116 1 1034 . 1 1 94 94 LYS HA H 1 4.364 0.02 . 1 . . . . 95 LYS HA . 15116 1 1035 . 1 1 94 94 LYS CB C 13 31.382 0.05 . 1 . . . . 95 LYS CB . 15116 1 1036 . 1 1 94 94 LYS HB2 H 1 1.778 0.02 . 2 . . . . 95 LYS HB2 . 15116 1 1037 . 1 1 94 94 LYS CG C 13 21.746 0.05 . 1 . . . . 95 LYS CG . 15116 1 1038 . 1 1 94 94 LYS HG2 H 1 1.546 0.02 . 2 . . . . 95 LYS HG2 . 15116 1 1039 . 1 1 94 94 LYS CD C 13 27.611 0.05 . 1 . . . . 95 LYS CD . 15116 1 1040 . 1 1 94 94 LYS HD2 H 1 2.112 0.02 . 2 . . . . 95 LYS HD2 . 15116 1 1041 . 1 1 94 94 LYS CE C 13 39.227 0.05 . 1 . . . . 95 LYS CE . 15116 1 1042 . 1 1 94 94 LYS HE2 H 1 3.013 0.02 . 2 . . . . 95 LYS HE2 . 15116 1 1043 . 1 1 95 95 ASP N N 15 112.000 0.05 . 1 . . . . 96 ASP N . 15116 1 1044 . 1 1 95 95 ASP H H 1 7.403 0.02 . 1 . . . . 96 ASP HN . 15116 1 1045 . 1 1 95 95 ASP CA C 13 50.167 0.05 . 1 . . . . 96 ASP CA . 15116 1 1046 . 1 1 95 95 ASP HA H 1 5.573 0.02 . 1 . . . . 96 ASP HA . 15116 1 1047 . 1 1 95 95 ASP CB C 13 41.940 0.05 . 1 . . . . 96 ASP CB . 15116 1 1048 . 1 1 95 95 ASP HB2 H 1 2.593 0.02 . 2 . . . . 96 ASP HB2 . 15116 1 1049 . 1 1 95 95 ASP HB3 H 1 2.089 0.02 . 2 . . . . 96 ASP HB3 . 15116 1 1050 . 1 1 96 96 THR N N 15 109.500 0.05 . 1 . . . . 97 THR N . 15116 1 1051 . 1 1 96 96 THR H H 1 7.212 0.02 . 1 . . . . 97 THR HN . 15116 1 1052 . 1 1 96 96 THR CA C 13 63.270 0.05 . 1 . . . . 97 THR CA . 15116 1 1053 . 1 1 96 96 THR HA H 1 3.650 0.02 . 1 . . . . 97 THR HA . 15116 1 1054 . 1 1 96 96 THR CB C 13 67.614 0.05 . 1 . . . . 97 THR CB . 15116 1 1055 . 1 1 96 96 THR HB H 1 4.030 0.02 . 1 . . . . 97 THR HB . 15116 1 1056 . 1 1 96 96 THR CG2 C 13 19.802 0.05 . 1 . . . . 97 THR CG2 . 15116 1 1057 . 1 1 96 96 THR HG21 H 1 1.310 0.02 . 1 . . . . 97 THR HG2 . 15116 1 1058 . 1 1 96 96 THR HG22 H 1 1.310 0.02 . 1 . . . . 97 THR HG2 . 15116 1 1059 . 1 1 96 96 THR HG23 H 1 1.310 0.02 . 1 . . . . 97 THR HG2 . 15116 1 1060 . 1 1 97 97 LYS N N 15 121.062 0.05 . 1 . . . . 98 LYS N . 15116 1 1061 . 1 1 97 97 LYS H H 1 7.860 0.02 . 1 . . . . 98 LYS HN . 15116 1 1062 . 1 1 97 97 LYS CA C 13 57.019 0.05 . 1 . . . . 98 LYS CA . 15116 1 1063 . 1 1 97 97 LYS HA H 1 3.918 0.02 . 1 . . . . 98 LYS HA . 15116 1 1064 . 1 1 97 97 LYS CB C 13 29.240 0.05 . 1 . . . . 98 LYS CB . 15116 1 1065 . 1 1 97 97 LYS HB2 H 1 2.103 0.02 . 2 . . . . 98 LYS HB2 . 15116 1 1066 . 1 1 97 97 LYS CG C 13 21.812 0.05 . 1 . . . . 98 LYS CG . 15116 1 1067 . 1 1 97 97 LYS HG2 H 1 1.448 0.02 . 2 . . . . 98 LYS HG2 . 15116 1 1068 . 1 1 97 97 LYS CD C 13 25.442 0.05 . 1 . . . . 98 LYS CD . 15116 1 1069 . 1 1 97 97 LYS HD2 H 1 2.060 0.02 . 2 . . . . 98 LYS HD2 . 15116 1 1070 . 1 1 98 98 GLU N N 15 119.188 0.05 . 1 . . . . 99 GLU N . 15116 1 1071 . 1 1 98 98 GLU H H 1 8.347 0.02 . 1 . . . . 99 GLU HN . 15116 1 1072 . 1 1 98 98 GLU CA C 13 57.074 0.05 . 1 . . . . 99 GLU CA . 15116 1 1073 . 1 1 98 98 GLU HA H 1 4.090 0.02 . 1 . . . . 99 GLU HA . 15116 1 1074 . 1 1 98 98 GLU CB C 13 27.631 0.05 . 1 . . . . 99 GLU CB . 15116 1 1075 . 1 1 98 98 GLU HB2 H 1 2.105 0.02 . 2 . . . . 99 GLU HB2 . 15116 1 1076 . 1 1 98 98 GLU CG C 13 34.514 0.05 . 1 . . . . 99 GLU CG . 15116 1 1077 . 1 1 98 98 GLU HG2 H 1 2.442 0.02 . 2 . . . . 99 GLU HG2 . 15116 1 1078 . 1 1 98 98 GLU HG3 H 1 2.709 0.02 . 2 . . . . 99 GLU HG3 . 15116 1 1079 . 1 1 99 99 ALA N N 15 118.875 0.05 . 1 . . . . 100 ALA N . 15116 1 1080 . 1 1 99 99 ALA H H 1 7.374 0.02 . 1 . . . . 100 ALA HN . 15116 1 1081 . 1 1 99 99 ALA CA C 13 52.681 0.05 . 1 . . . . 100 ALA CA . 15116 1 1082 . 1 1 99 99 ALA HA H 1 4.423 0.02 . 1 . . . . 100 ALA HA . 15116 1 1083 . 1 1 99 99 ALA CB C 13 17.069 0.05 . 1 . . . . 100 ALA CB . 15116 1 1084 . 1 1 99 99 ALA HB1 H 1 1.519 0.02 . 1 . . . . 100 ALA HB1 . 15116 1 1085 . 1 1 99 99 ALA HB2 H 1 1.519 0.02 . 1 . . . . 100 ALA HB1 . 15116 1 1086 . 1 1 99 99 ALA HB3 H 1 1.519 0.02 . 1 . . . . 100 ALA HB1 . 15116 1 1087 . 1 1 100 100 LEU N N 15 117.938 0.05 . 1 . . . . 101 LEU N . 15116 1 1088 . 1 1 100 100 LEU H H 1 8.140 0.02 . 1 . . . . 101 LEU HN . 15116 1 1089 . 1 1 100 100 LEU CA C 13 55.324 0.05 . 1 . . . . 101 LEU CA . 15116 1 1090 . 1 1 100 100 LEU HA H 1 4.015 0.02 . 1 . . . . 101 LEU HA . 15116 1 1091 . 1 1 100 100 LEU CB C 13 38.813 0.05 . 1 . . . . 101 LEU CB . 15116 1 1092 . 1 1 100 100 LEU HB2 H 1 2.062 0.02 . 2 . . . . 101 LEU HB2 . 15116 1 1093 . 1 1 100 100 LEU HB3 H 1 1.627 0.02 . 2 . . . . 101 LEU HB3 . 15116 1 1094 . 1 1 100 100 LEU CG C 13 24.428 0.05 . 1 . . . . 101 LEU CG . 15116 1 1095 . 1 1 100 100 LEU HG H 1 1.879 0.02 . 1 . . . . 101 LEU HG . 15116 1 1096 . 1 1 100 100 LEU CD1 C 13 23.091 0.05 . 1 . . . . 101 LEU CD1 . 15116 1 1097 . 1 1 100 100 LEU HD11 H 1 0.913 0.02 . 1 . . . . 101 LEU HD1 . 15116 1 1098 . 1 1 100 100 LEU HD12 H 1 0.913 0.02 . 1 . . . . 101 LEU HD1 . 15116 1 1099 . 1 1 100 100 LEU HD13 H 1 0.913 0.02 . 1 . . . . 101 LEU HD1 . 15116 1 1100 . 1 1 100 100 LEU CD2 C 13 19.250 0.05 . 1 . . . . 101 LEU CD2 . 15116 1 1101 . 1 1 100 100 LEU HD21 H 1 0.985 0.02 . 1 . . . . 101 LEU HD2 . 15116 1 1102 . 1 1 100 100 LEU HD22 H 1 0.985 0.02 . 1 . . . . 101 LEU HD2 . 15116 1 1103 . 1 1 100 100 LEU HD23 H 1 0.985 0.02 . 1 . . . . 101 LEU HD2 . 15116 1 1104 . 1 1 101 101 ASP N N 15 120.438 0.05 . 1 . . . . 102 ASP N . 15116 1 1105 . 1 1 101 101 ASP H H 1 8.671 0.02 . 1 . . . . 102 ASP HN . 15116 1 1106 . 1 1 101 101 ASP CA C 13 54.647 0.05 . 1 . . . . 102 ASP CA . 15116 1 1107 . 1 1 101 101 ASP HA H 1 4.334 0.02 . 1 . . . . 102 ASP HA . 15116 1 1108 . 1 1 101 101 ASP CB C 13 37.104 0.05 . 1 . . . . 102 ASP CB . 15116 1 1109 . 1 1 101 101 ASP HB2 H 1 2.868 0.02 . 2 . . . . 102 ASP HB2 . 15116 1 1110 . 1 1 101 101 ASP HB3 H 1 2.538 0.02 . 2 . . . . 102 ASP HB3 . 15116 1 1111 . 1 1 102 102 LYS N N 15 120.438 0.05 . 1 . . . . 103 LYS N . 15116 1 1112 . 1 1 102 102 LYS H H 1 8.170 0.02 . 1 . . . . 103 LYS HN . 15116 1 1113 . 1 1 102 102 LYS CA C 13 55.548 0.05 . 1 . . . . 103 LYS CA . 15116 1 1114 . 1 1 102 102 LYS HA H 1 4.116 0.02 . 1 . . . . 103 LYS HA . 15116 1 1115 . 1 1 102 102 LYS CB C 13 28.798 0.05 . 1 . . . . 103 LYS CB . 15116 1 1116 . 1 1 102 102 LYS HB2 H 1 2.233 0.02 . 2 . . . . 103 LYS HB2 . 15116 1 1117 . 1 1 102 102 LYS HB3 H 1 1.907 0.02 . 2 . . . . 103 LYS HB3 . 15116 1 1118 . 1 1 102 102 LYS CG C 13 21.449 0.05 . 1 . . . . 103 LYS CG . 15116 1 1119 . 1 1 102 102 LYS HG2 H 1 1.793 0.02 . 2 . . . . 103 LYS HG2 . 15116 1 1120 . 1 1 102 102 LYS CD C 13 25.317 0.05 . 1 . . . . 103 LYS CD . 15116 1 1121 . 1 1 102 102 LYS HD2 H 1 1.867 0.02 . 2 . . . . 103 LYS HD2 . 15116 1 1122 . 1 1 103 103 ILE N N 15 120.125 0.05 . 1 . . . . 104 ILE N . 15116 1 1123 . 1 1 103 103 ILE H H 1 8.155 0.02 . 1 . . . . 104 ILE HN . 15116 1 1124 . 1 1 103 103 ILE CA C 13 60.414 0.05 . 1 . . . . 104 ILE CA . 15116 1 1125 . 1 1 103 103 ILE HA H 1 3.810 0.02 . 1 . . . . 104 ILE HA . 15116 1 1126 . 1 1 103 103 ILE CB C 13 35.048 0.05 . 1 . . . . 104 ILE CB . 15116 1 1127 . 1 1 103 103 ILE HB H 1 1.956 0.02 . 1 . . . . 104 ILE HB . 15116 1 1128 . 1 1 103 103 ILE HG12 H 1 1.627 0.02 . 9 . . . . 104 ILE HG12 . 15116 1 1129 . 1 1 103 103 ILE HG13 H 1 1.264 0.02 . 9 . . . . 104 ILE HG13 . 15116 1 1130 . 1 1 103 103 ILE CD1 C 13 11.426 0.05 . 1 . . . . 104 ILE CD1 . 15116 1 1131 . 1 1 103 103 ILE HD11 H 1 0.812 0.02 . 1 . . . . 104 ILE HD1 . 15116 1 1132 . 1 1 103 103 ILE HD12 H 1 0.812 0.02 . 1 . . . . 104 ILE HD1 . 15116 1 1133 . 1 1 103 103 ILE HD13 H 1 0.812 0.02 . 1 . . . . 104 ILE HD1 . 15116 1 1134 . 1 1 103 103 ILE CG2 C 13 15.175 0.05 . 1 . . . . 104 ILE CG2 . 15116 1 1135 . 1 1 103 103 ILE HG21 H 1 0.809 0.02 . 1 . . . . 104 ILE HG2 . 15116 1 1136 . 1 1 103 103 ILE HG22 H 1 0.809 0.02 . 1 . . . . 104 ILE HG2 . 15116 1 1137 . 1 1 103 103 ILE HG23 H 1 0.809 0.02 . 1 . . . . 104 ILE HG2 . 15116 1 1138 . 1 1 104 104 GLU N N 15 121.375 0.05 . 1 . . . . 105 GLU N . 15116 1 1139 . 1 1 104 104 GLU H H 1 8.008 0.02 . 1 . . . . 105 GLU HN . 15116 1 1140 . 1 1 104 104 GLU CA C 13 56.877 0.05 . 1 . . . . 105 GLU CA . 15116 1 1141 . 1 1 104 104 GLU HA H 1 4.102 0.02 . 1 . . . . 105 GLU HA . 15116 1 1142 . 1 1 104 104 GLU CB C 13 30.097 0.05 . 1 . . . . 105 GLU CB . 15116 1 1143 . 1 1 104 104 GLU HB2 H 1 1.803 0.02 . 2 . . . . 105 GLU HB2 . 15116 1 1144 . 1 1 104 104 GLU CG C 13 33.347 0.05 . 1 . . . . 105 GLU CG . 15116 1 1145 . 1 1 104 104 GLU HG2 H 1 2.342 0.02 . 2 . . . . 105 GLU HG2 . 15116 1 1146 . 1 1 105 105 GLU N N 15 119.188 0.05 . 1 . . . . 106 GLU N . 15116 1 1147 . 1 1 105 105 GLU H H 1 7.993 0.02 . 1 . . . . 106 GLU HN . 15116 1 1148 . 1 1 105 105 GLU CA C 13 56.471 0.05 . 1 . . . . 106 GLU CA . 15116 1 1149 . 1 1 105 105 GLU HA H 1 3.999 0.02 . 1 . . . . 106 GLU HA . 15116 1 1150 . 1 1 105 105 GLU CB C 13 26.786 0.05 . 1 . . . . 106 GLU CB . 15116 1 1151 . 1 1 105 105 GLU HB2 H 1 2.180 0.02 . 2 . . . . 106 GLU HB2 . 15116 1 1152 . 1 1 105 105 GLU CG C 13 33.806 0.05 . 1 . . . . 106 GLU CG . 15116 1 1153 . 1 1 105 105 GLU HG2 H 1 2.445 0.02 . 2 . . . . 106 GLU HG2 . 15116 1 1154 . 1 1 106 106 GLU N N 15 118.875 0.05 . 1 . . . . 107 GLU N . 15116 1 1155 . 1 1 106 106 GLU H H 1 7.978 0.02 . 1 . . . . 107 GLU HN . 15116 1 1156 . 1 1 106 106 GLU CA C 13 56.713 0.05 . 1 . . . . 107 GLU CA . 15116 1 1157 . 1 1 106 106 GLU HA H 1 4.091 0.02 . 1 . . . . 107 GLU HA . 15116 1 1158 . 1 1 106 106 GLU CB C 13 27.044 0.05 . 1 . . . . 107 GLU CB . 15116 1 1159 . 1 1 106 106 GLU HB2 H 1 2.197 0.02 . 2 . . . . 107 GLU HB2 . 15116 1 1160 . 1 1 106 106 GLU CG C 13 33.844 0.05 . 1 . . . . 107 GLU CG . 15116 1 1161 . 1 1 106 106 GLU HG2 H 1 2.451 0.02 . 2 . . . . 107 GLU HG2 . 15116 1 1162 . 1 1 107 107 GLN N N 15 118.562 0.05 . 1 . . . . 108 GLN N . 15116 1 1163 . 1 1 107 107 GLN H H 1 8.243 0.02 . 1 . . . . 108 GLN HN . 15116 1 1164 . 1 1 107 107 GLN CA C 13 55.634 0.05 . 1 . . . . 108 GLN CA . 15116 1 1165 . 1 1 107 107 GLN HA H 1 4.159 0.02 . 1 . . . . 108 GLN HA . 15116 1 1166 . 1 1 107 107 GLN CB C 13 26.229 0.05 . 1 . . . . 108 GLN CB . 15116 1 1167 . 1 1 107 107 GLN HB2 H 1 2.144 0.02 . 2 . . . . 108 GLN HB2 . 15116 1 1168 . 1 1 107 107 GLN CG C 13 31.389 0.05 . 1 . . . . 108 GLN CG . 15116 1 1169 . 1 1 107 107 GLN HG2 H 1 2.603 0.02 . 2 . . . . 108 GLN HG2 . 15116 1 1170 . 1 1 108 108 ASN N N 15 118.562 0.05 . 1 . . . . 109 ASN N . 15116 1 1171 . 1 1 108 108 ASN H H 1 8.229 0.02 . 1 . . . . 109 ASN HN . 15116 1 1172 . 1 1 108 108 ASN CA C 13 52.108 0.05 . 1 . . . . 109 ASN CA . 15116 1 1173 . 1 1 108 108 ASN HA H 1 4.591 0.02 . 1 . . . . 109 ASN HA . 15116 1 1174 . 1 1 108 108 ASN CB C 13 35.790 0.05 . 1 . . . . 109 ASN CB . 15116 1 1175 . 1 1 108 108 ASN HB2 H 1 2.891 0.02 . 2 . . . . 109 ASN HB2 . 15116 1 1176 . 1 1 109 109 LYS N N 15 120.125 0.05 . 1 . . . . 110 LYS N . 15116 1 1177 . 1 1 109 109 LYS H H 1 8.022 0.02 . 1 . . . . 110 LYS HN . 15116 1 1178 . 1 1 109 109 LYS CA C 13 55.519 0.05 . 1 . . . . 110 LYS CA . 15116 1 1179 . 1 1 109 109 LYS HA H 1 4.193 0.02 . 1 . . . . 110 LYS HA . 15116 1 1180 . 1 1 109 109 LYS CB C 13 30.011 0.05 . 1 . . . . 110 LYS CB . 15116 1 1181 . 1 1 109 109 LYS HB2 H 1 1.888 0.02 . 2 . . . . 110 LYS HB2 . 15116 1 1182 . 1 1 109 109 LYS CG C 13 21.951 0.05 . 1 . . . . 110 LYS CG . 15116 1 1183 . 1 1 109 109 LYS HG2 H 1 1.581 0.02 . 2 . . . . 110 LYS HG2 . 15116 1 1184 . 1 1 109 109 LYS HG3 H 1 1.495 0.02 . 2 . . . . 110 LYS HG3 . 15116 1 1185 . 1 1 109 109 LYS CD C 13 26.866 0.05 . 1 . . . . 110 LYS CD . 15116 1 1186 . 1 1 109 109 LYS HD2 H 1 2.201 0.02 . 2 . . . . 110 LYS HD2 . 15116 1 1187 . 1 1 109 109 LYS CE C 13 39.566 0.05 . 1 . . . . 110 LYS CE . 15116 1 1188 . 1 1 109 109 LYS HE2 H 1 3.003 0.02 . 2 . . . . 110 LYS HE2 . 15116 1 1189 . 1 1 110 110 SER N N 15 114.500 0.05 . 1 . . . . 111 SER N . 15116 1 1190 . 1 1 110 110 SER H H 1 8.037 0.02 . 1 . . . . 111 SER HN . 15116 1 1191 . 1 1 110 110 SER CA C 13 57.144 0.05 . 1 . . . . 111 SER CA . 15116 1 1192 . 1 1 110 110 SER HA H 1 4.371 0.02 . 1 . . . . 111 SER HA . 15116 1 1193 . 1 1 110 110 SER CB C 13 60.783 0.05 . 1 . . . . 111 SER CB . 15116 1 1194 . 1 1 110 110 SER HB2 H 1 3.983 0.02 . 2 . . . . 111 SER HB2 . 15116 1 1195 . 1 1 111 111 LYS N N 15 122.000 0.05 . 1 . . . . 112 LYS N . 15116 1 1196 . 1 1 111 111 LYS H H 1 7.949 0.02 . 1 . . . . 112 LYS HN . 15116 1 1197 . 1 1 111 111 LYS CA C 13 54.617 0.05 . 1 . . . . 112 LYS CA . 15116 1 1198 . 1 1 111 111 LYS HA H 1 4.257 0.02 . 1 . . . . 112 LYS HA . 15116 1 1199 . 1 1 111 111 LYS CB C 13 30.097 0.05 . 1 . . . . 112 LYS CB . 15116 1 1200 . 1 1 111 111 LYS HB2 H 1 1.865 0.02 . 2 . . . . 112 LYS HB2 . 15116 1 1201 . 1 1 111 111 LYS CG C 13 21.881 0.05 . 1 . . . . 112 LYS CG . 15116 1 1202 . 1 1 111 111 LYS HG2 H 1 1.497 0.02 . 2 . . . . 112 LYS HG2 . 15116 1 1203 . 1 1 111 111 LYS CD C 13 26.376 0.05 . 1 . . . . 112 LYS CD . 15116 1 1204 . 1 1 111 111 LYS HD2 H 1 1.640 0.02 . 2 . . . . 112 LYS HD2 . 15116 1 1205 . 1 1 112 112 LYS N N 15 120.750 0.05 . 1 . . . . 113 LYS N . 15116 1 1206 . 1 1 112 112 LYS H H 1 8.022 0.02 . 1 . . . . 113 LYS HN . 15116 1 1207 . 1 1 112 112 LYS CA C 13 56.143 0.05 . 1 . . . . 113 LYS CA . 15116 1 1208 . 1 1 112 112 LYS HA H 1 4.127 0.02 . 1 . . . . 113 LYS HA . 15116 1 1209 . 1 1 112 112 LYS CB C 13 30.062 0.05 . 1 . . . . 113 LYS CB . 15116 1 1210 . 1 1 112 112 LYS HB2 H 1 1.864 0.02 . 2 . . . . 113 LYS HB2 . 15116 1 1211 . 1 1 112 112 LYS CG C 13 21.884 0.05 . 1 . . . . 113 LYS CG . 15116 1 1212 . 1 1 112 112 LYS HG2 H 1 1.527 0.02 . 2 . . . . 113 LYS HG2 . 15116 1 1213 . 1 1 112 112 LYS CD C 13 26.353 0.05 . 1 . . . . 113 LYS CD . 15116 1 1214 . 1 1 112 112 LYS HD2 H 1 1.684 0.02 . 2 . . . . 113 LYS HD2 . 15116 1 1215 . 1 1 112 112 LYS CE C 13 39.513 0.05 . 1 . . . . 113 LYS CE . 15116 1 1216 . 1 1 112 112 LYS HE2 H 1 2.971 0.02 . 2 . . . . 113 LYS HE2 . 15116 1 1217 . 1 1 113 113 LYS N N 15 121.688 0.05 . 1 . . . . 114 LYS N . 15116 1 1218 . 1 1 113 113 LYS H H 1 8.126 0.02 . 1 . . . . 114 LYS HN . 15116 1 1219 . 1 1 113 113 LYS CA C 13 54.323 0.05 . 1 . . . . 114 LYS CA . 15116 1 1220 . 1 1 113 113 LYS HA H 1 4.212 0.02 . 1 . . . . 114 LYS HA . 15116 1 1221 . 1 1 113 113 LYS CB C 13 30.135 0.05 . 1 . . . . 114 LYS CB . 15116 1 1222 . 1 1 113 113 LYS HB2 H 1 1.834 0.02 . 2 . . . . 114 LYS HB2 . 15116 1 1223 . 1 1 113 113 LYS CG C 13 21.921 0.05 . 1 . . . . 114 LYS CG . 15116 1 1224 . 1 1 113 113 LYS HG2 H 1 1.469 0.02 . 2 . . . . 114 LYS HG2 . 15116 1 1225 . 1 1 113 113 LYS CD C 13 26.474 0.05 . 1 . . . . 114 LYS CD . 15116 1 1226 . 1 1 113 113 LYS HD2 H 1 1.754 0.02 . 2 . . . . 114 LYS HD2 . 15116 1 1227 . 1 1 113 113 LYS CE C 13 39.501 0.05 . 1 . . . . 114 LYS CE . 15116 1 1228 . 1 1 113 113 LYS HE2 H 1 3.053 0.02 . 2 . . . . 114 LYS HE2 . 15116 1 1229 . 1 1 114 114 ALA N N 15 123.188 0.05 . 1 . . . . 115 ALA N . 15116 1 1230 . 1 1 114 114 ALA H H 1 8.164 0.02 . 1 . . . . 115 ALA HN . 15116 1 1231 . 1 1 114 114 ALA CA C 13 50.260 0.05 . 1 . . . . 115 ALA CA . 15116 1 1232 . 1 1 114 114 ALA HA H 1 4.242 0.02 . 1 . . . . 115 ALA HA . 15116 1 1233 . 1 1 114 114 ALA CB C 13 16.359 0.05 . 1 . . . . 115 ALA CB . 15116 1 1234 . 1 1 114 114 ALA HB1 H 1 1.400 0.02 . 1 . . . . 115 ALA HB1 . 15116 1 1235 . 1 1 114 114 ALA HB2 H 1 1.400 0.02 . 1 . . . . 115 ALA HB1 . 15116 1 1236 . 1 1 114 114 ALA HB3 H 1 1.400 0.02 . 1 . . . . 115 ALA HB1 . 15116 1 1237 . 1 1 115 115 GLN N N 15 119.188 0.05 . 1 . . . . 116 GLN N . 15116 1 1238 . 1 1 115 115 GLN H H 1 8.199 0.02 . 1 . . . . 116 GLN HN . 15116 1 1239 . 1 1 115 115 GLN CA C 13 53.793 0.05 . 1 . . . . 116 GLN CA . 15116 1 1240 . 1 1 115 115 GLN HA H 1 4.254 0.02 . 1 . . . . 116 GLN HA . 15116 1 1241 . 1 1 115 115 GLN CB C 13 26.508 0.05 . 1 . . . . 116 GLN CB . 15116 1 1242 . 1 1 115 115 GLN HB2 H 1 2.093 0.02 . 2 . . . . 116 GLN HB2 . 15116 1 1243 . 1 1 115 115 GLN CG C 13 31.235 0.05 . 1 . . . . 116 GLN CG . 15116 1 1244 . 1 1 115 115 GLN HG2 H 1 2.412 0.02 . 2 . . . . 116 GLN HG2 . 15116 1 1245 . 1 1 116 116 GLN N N 15 121.062 0.05 . 1 . . . . 117 GLN N . 15116 1 1246 . 1 1 116 116 GLN H H 1 8.243 0.02 . 1 . . . . 117 GLN HN . 15116 1 1247 . 1 1 116 116 GLN CA C 13 53.677 0.05 . 1 . . . . 117 GLN CA . 15116 1 1248 . 1 1 116 116 GLN HA H 1 4.259 0.02 . 1 . . . . 117 GLN HA . 15116 1 1249 . 1 1 116 116 GLN CB C 13 26.905 0.05 . 1 . . . . 117 GLN CB . 15116 1 1250 . 1 1 116 116 GLN HB2 H 1 2.003 0.02 . 2 . . . . 117 GLN HB2 . 15116 1 1251 . 1 1 116 116 GLN CG C 13 31.309 0.05 . 1 . . . . 117 GLN CG . 15116 1 1252 . 1 1 116 116 GLN HG2 H 1 2.346 0.02 . 2 . . . . 117 GLN HG2 . 15116 1 1253 . 1 1 117 117 ALA N N 15 124.812 0.05 . 1 . . . . 118 ALA N . 15116 1 1254 . 1 1 117 117 ALA H H 1 8.243 0.02 . 1 . . . . 118 ALA HN . 15116 1 1255 . 1 1 117 117 ALA CA C 13 50.114 0.05 . 1 . . . . 118 ALA CA . 15116 1 1256 . 1 1 117 117 ALA HA H 1 4.256 0.02 . 1 . . . . 118 ALA HA . 15116 1 1257 . 1 1 117 117 ALA CB C 13 16.343 0.05 . 1 . . . . 118 ALA CB . 15116 1 1258 . 1 1 117 117 ALA HB1 H 1 1.389 0.02 . 1 . . . . 118 ALA HB1 . 15116 1 1259 . 1 1 117 117 ALA HB2 H 1 1.389 0.02 . 1 . . . . 118 ALA HB1 . 15116 1 1260 . 1 1 117 117 ALA HB3 H 1 1.389 0.02 . 1 . . . . 118 ALA HB1 . 15116 1 1261 . 1 1 118 118 ALA N N 15 122.938 0.05 . 1 . . . . 119 ALA N . 15116 1 1262 . 1 1 118 118 ALA H H 1 8.155 0.02 . 1 . . . . 119 ALA HN . 15116 1 1263 . 1 1 118 118 ALA CA C 13 50.047 0.05 . 1 . . . . 119 ALA CA . 15116 1 1264 . 1 1 118 118 ALA HA H 1 4.250 0.02 . 1 . . . . 119 ALA HA . 15116 1 1265 . 1 1 118 118 ALA CB C 13 16.377 0.05 . 1 . . . . 119 ALA CB . 15116 1 1266 . 1 1 118 118 ALA HB1 H 1 1.395 0.02 . 1 . . . . 119 ALA HB1 . 15116 1 1267 . 1 1 118 118 ALA HB2 H 1 1.395 0.02 . 1 . . . . 119 ALA HB1 . 15116 1 1268 . 1 1 118 118 ALA HB3 H 1 1.395 0.02 . 1 . . . . 119 ALA HB1 . 15116 1 1269 . 1 1 119 119 ALA N N 15 122.625 0.05 . 1 . . . . 120 ALA N . 15116 1 1270 . 1 1 119 119 ALA H H 1 8.140 0.02 . 1 . . . . 120 ALA HN . 15116 1 1271 . 1 1 119 119 ALA CA C 13 50.062 0.05 . 1 . . . . 120 ALA CA . 15116 1 1272 . 1 1 119 119 ALA HA H 1 4.286 0.02 . 1 . . . . 120 ALA HA . 15116 1 1273 . 1 1 119 119 ALA CB C 13 16.437 0.05 . 1 . . . . 120 ALA CB . 15116 1 1274 . 1 1 119 119 ALA HB1 H 1 1.375 0.02 . 1 . . . . 120 ALA HB1 . 15116 1 1275 . 1 1 119 119 ALA HB2 H 1 1.375 0.02 . 1 . . . . 120 ALA HB1 . 15116 1 1276 . 1 1 119 119 ALA HB3 H 1 1.375 0.02 . 1 . . . . 120 ALA HB1 . 15116 1 1277 . 1 1 120 120 ASP N N 15 118.875 0.05 . 1 . . . . 121 ASP N . 15116 1 1278 . 1 1 120 120 ASP H H 1 8.229 0.02 . 1 . . . . 121 ASP HN . 15116 1 1279 . 1 1 120 120 ASP CA C 13 51.735 0.05 . 1 . . . . 121 ASP CA . 15116 1 1280 . 1 1 120 120 ASP HA H 1 4.650 0.02 . 1 . . . . 121 ASP HA . 15116 1 1281 . 1 1 120 120 ASP CB C 13 38.458 0.05 . 1 . . . . 121 ASP CB . 15116 1 1282 . 1 1 120 120 ASP HB3 H 1 2.651 0.02 . 2 . . . . 121 ASP HB3 . 15116 1 1283 . 1 1 120 120 ASP HB2 H 1 2.698 0.02 . 2 . . . . 121 ASP HB2 . 15116 1 1284 . 1 1 121 121 THR N N 15 113.250 0.05 . 1 . . . . 122 THR N . 15116 1 1285 . 1 1 121 121 THR H H 1 8.067 0.02 . 1 . . . . 122 THR HN . 15116 1 1286 . 1 1 121 121 THR CA C 13 59.492 0.05 . 1 . . . . 122 THR CA . 15116 1 1287 . 1 1 121 121 THR HA H 1 4.314 0.02 . 1 . . . . 122 THR HA . 15116 1 1288 . 1 1 121 121 THR CB C 13 67.111 0.05 . 1 . . . . 122 THR CB . 15116 1 1289 . 1 1 121 121 THR HB H 1 4.336 0.02 . 1 . . . . 122 THR HB . 15116 1 1290 . 1 1 121 121 THR CG2 C 13 18.827 0.05 . 1 . . . . 122 THR CG2 . 15116 1 1291 . 1 1 121 121 THR HG21 H 1 1.226 0.02 . 1 . . . . 122 THR HG2 . 15116 1 1292 . 1 1 121 121 THR HG22 H 1 1.226 0.02 . 1 . . . . 122 THR HG2 . 15116 1 1293 . 1 1 121 121 THR HG23 H 1 1.226 0.02 . 1 . . . . 122 THR HG2 . 15116 1 1294 . 1 1 122 122 GLY N N 15 110.438 0.05 . 1 . . . . 123 GLY N . 15116 1 1295 . 1 1 122 122 GLY H H 1 8.406 0.02 . 1 . . . . 123 GLY HN . 15116 1 1296 . 1 1 122 122 GLY CA C 13 42.972 0.05 . 1 . . . . 123 GLY CA . 15116 1 1297 . 1 1 122 122 GLY HA2 H 1 3.962 0.02 . 2 . . . . 123 GLY HA2 . 15116 1 1298 . 1 1 122 122 GLY HA3 H 1 3.969 0.02 . 2 . . . . 123 GLY HA3 . 15116 1 1299 . 1 1 123 123 ASN N N 15 118.875 0.05 . 1 . . . . 124 ASN N . 15116 1 1300 . 1 1 123 123 ASN H H 1 8.258 0.02 . 1 . . . . 124 ASN HN . 15116 1 1301 . 1 1 123 123 ASN CA C 13 51.759 0.05 . 1 . . . . 124 ASN CA . 15116 1 1302 . 1 1 123 123 ASN HA H 1 4.591 0.02 . 1 . . . . 124 ASN HA . 15116 1 1303 . 1 1 123 123 ASN CB C 13 35.831 0.05 . 1 . . . . 124 ASN CB . 15116 1 1304 . 1 1 123 123 ASN HB2 H 1 2.821 0.02 . 2 . . . . 124 ASN HB2 . 15116 1 1305 . 1 1 124 124 ASN N N 15 119.188 0.05 . 1 . . . . 125 ASN N . 15116 1 1306 . 1 1 124 124 ASN H H 1 8.435 0.02 . 1 . . . . 125 ASN HN . 15116 1 1307 . 1 1 124 124 ASN CA C 13 50.718 0.05 . 1 . . . . 125 ASN CA . 15116 1 1308 . 1 1 124 124 ASN HA H 1 4.685 0.02 . 1 . . . . 125 ASN HA . 15116 1 1309 . 1 1 124 124 ASN CB C 13 36.127 0.05 . 1 . . . . 125 ASN CB . 15116 1 1310 . 1 1 124 124 ASN HB2 H 1 2.821 0.02 . 2 . . . . 125 ASN HB2 . 15116 1 1311 . 1 1 125 125 SER N N 15 115.438 0.05 . 1 . . . . 126 SER N . 15116 1 1312 . 1 1 125 125 SER H H 1 8.273 0.02 . 1 . . . . 126 SER HN . 15116 1 1313 . 1 1 125 125 SER CA C 13 55.770 0.05 . 1 . . . . 126 SER CA . 15116 1 1314 . 1 1 125 125 SER HA H 1 4.400 0.02 . 1 . . . . 126 SER HA . 15116 1 1315 . 1 1 125 125 SER CB C 13 61.604 0.05 . 1 . . . . 126 SER CB . 15116 1 1316 . 1 1 125 125 SER HB2 H 1 3.891 0.02 . 2 . . . . 126 SER HB2 . 15116 1 1317 . 1 1 126 126 GLN N N 15 121.688 0.05 . 1 . . . . 127 GLN N . 15116 1 1318 . 1 1 126 126 GLN H H 1 8.332 0.02 . 1 . . . . 127 GLN HN . 15116 1 1319 . 1 1 126 126 GLN CA C 13 53.379 0.05 . 1 . . . . 127 GLN CA . 15116 1 1320 . 1 1 126 126 GLN HA H 1 4.338 0.02 . 1 . . . . 127 GLN HA . 15116 1 1321 . 1 1 126 126 GLN CB C 13 26.644 0.05 . 1 . . . . 127 GLN CB . 15116 1 1322 . 1 1 126 126 GLN HB2 H 1 1.993 0.02 . 2 . . . . 127 GLN HB2 . 15116 1 1323 . 1 1 126 126 GLN CG C 13 31.139 0.05 . 1 . . . . 127 GLN CG . 15116 1 1324 . 1 1 126 126 GLN HG2 H 1 2.322 0.02 . 2 . . . . 127 GLN HG2 . 15116 1 1325 . 1 1 127 127 VAL N N 15 119.812 0.05 . 1 . . . . 128 VAL N . 15116 1 1326 . 1 1 127 127 VAL H H 1 7.978 0.02 . 1 . . . . 128 VAL HN . 15116 1 1327 . 1 1 127 127 VAL CA C 13 59.984 0.05 . 1 . . . . 128 VAL CA . 15116 1 1328 . 1 1 127 127 VAL HA H 1 4.118 0.02 . 1 . . . . 128 VAL HA . 15116 1 1329 . 1 1 127 127 VAL CB C 13 30.082 0.05 . 1 . . . . 128 VAL CB . 15116 1 1330 . 1 1 127 127 VAL HB H 1 2.011 0.02 . 1 . . . . 128 VAL HB . 15116 1 1331 . 1 1 127 127 VAL CG2 C 13 18.104 0.05 . 1 . . . . 128 VAL CG2 . 15116 1 1332 . 1 1 127 127 VAL HG21 H 1 0.936 0.02 . 1 . . . . 128 VAL HG2 . 15116 1 1333 . 1 1 127 127 VAL HG22 H 1 0.936 0.02 . 1 . . . . 128 VAL HG2 . 15116 1 1334 . 1 1 127 127 VAL HG23 H 1 0.936 0.02 . 1 . . . . 128 VAL HG2 . 15116 1 1335 . 1 1 127 127 VAL CG1 C 13 17.904 0.05 . 1 . . . . 128 VAL CG1 . 15116 1 1336 . 1 1 127 127 VAL HG11 H 1 0.827 0.02 . 1 . . . . 128 VAL HG1 . 15116 1 1337 . 1 1 127 127 VAL HG12 H 1 0.827 0.02 . 1 . . . . 128 VAL HG1 . 15116 1 1338 . 1 1 127 127 VAL HG13 H 1 0.827 0.02 . 1 . . . . 128 VAL HG1 . 15116 1 1339 . 1 1 128 128 SER N N 15 117.938 0.05 . 1 . . . . 129 SER N . 15116 1 1340 . 1 1 128 128 SER H H 1 8.243 0.02 . 1 . . . . 129 SER HN . 15116 1 1341 . 1 1 128 128 SER CA C 13 55.872 0.05 . 1 . . . . 129 SER CA . 15116 1 1342 . 1 1 128 128 SER HA H 1 4.238 0.02 . 1 . . . . 129 SER HA . 15116 1 1343 . 1 1 128 128 SER CB C 13 61.126 0.05 . 1 . . . . 129 SER CB . 15116 1 1344 . 1 1 128 128 SER HB2 H 1 3.872 0.02 . 2 . . . . 129 SER HB2 . 15116 1 1345 . 1 1 129 129 GLN N N 15 121.375 0.05 . 1 . . . . 130 GLN N . 15116 1 1346 . 1 1 129 129 GLN H H 1 8.347 0.02 . 1 . . . . 130 GLN HN . 15116 1 1347 . 1 1 129 129 GLN CA C 13 53.288 0.05 . 1 . . . . 130 GLN CA . 15116 1 1348 . 1 1 129 129 GLN HA H 1 4.316 0.02 . 1 . . . . 130 GLN HA . 15116 1 1349 . 1 1 129 129 GLN CB C 13 26.957 0.05 . 1 . . . . 130 GLN CB . 15116 1 1350 . 1 1 129 129 GLN HB2 H 1 1.973 0.02 . 2 . . . . 130 GLN HB2 . 15116 1 1351 . 1 1 129 129 GLN CG C 13 30.976 0.05 . 1 . . . . 130 GLN CG . 15116 1 1352 . 1 1 129 129 GLN HG2 H 1 2.312 0.02 . 2 . . . . 130 GLN HG2 . 15116 1 1353 . 1 1 130 130 ASN N N 15 118.250 0.05 . 1 . . . . 131 ASN N . 15116 1 1354 . 1 1 130 130 ASN H H 1 8.243 0.02 . 1 . . . . 131 ASN HN . 15116 1 1355 . 1 1 130 130 ASN CA C 13 51.093 0.05 . 1 . . . . 131 ASN CA . 15116 1 1356 . 1 1 130 130 ASN HA H 1 4.603 0.02 . 1 . . . . 131 ASN HA . 15116 1 1357 . 1 1 131 131 TYR N N 15 120.125 0.05 . 1 . . . . 132 TYR N . 15116 1 1358 . 1 1 131 131 TYR H H 1 7.949 0.02 . 1 . . . . 132 TYR HN . 15116 1 1359 . 1 1 131 131 TYR CA C 13 55.573 0.05 . 1 . . . . 132 TYR CA . 15116 1 1360 . 1 1 131 131 TYR HA H 1 4.336 0.02 . 1 . . . . 132 TYR HA . 15116 1 1361 . 1 1 131 131 TYR CB C 13 35.748 0.05 . 1 . . . . 132 TYR CB . 15116 1 1362 . 1 1 131 131 TYR HB2 H 1 2.876 0.02 . 2 . . . . 132 TYR HB2 . 15116 1 1363 . 1 1 131 131 TYR HE2 H 1 6.968 0.02 . 1 . . . . 132 TYR HE2 . 15116 1 stop_ save_