data_4839 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4839 _Entry.Title ; Full assignments of RSVPR deltaLAM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-25 _Entry.Accession_date 2000-09-25 _Entry.Last_release_date 2001-04-26 _Entry.Original_release_date 2001-04-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Jeffrey Reinking . L. . 4839 2 Gisela Schatz . W . 4839 3 Volker Vogt . M. . 4839 4 Linda Nicholson . K. . 4839 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4839 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 674 4839 '13C chemical shifts' 433 4839 '15N chemical shifts' 106 4839 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 . . 2001-04-26 2000-09-25 original author . 4839 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4839 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the editor: 1H, 15N and 13C assignments of a monomeric N-terminal deletion mutant of the Rous sarcoma virus protease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 279 _Citation.Page_last 280 _Citation.Year 2001 _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 Jeffrey Reinking . L. . 4839 1 2 Gisela Schatz . W . 4839 1 3 Volker Vogt . M. . 4839 1 4 Linda Nicholson . K. . 4839 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4839 1 assignment 4839 1 RSVPR 4839 1 deltaLAM 4839 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_RSVPR_deltaLAM _Assembly.Sf_category assembly _Assembly.Sf_framecode RSVPR_deltaLAM _Assembly.Entry_ID 4839 _Assembly.ID 1 _Assembly.Name 'Rous sarcoma virus protease delta LAM mutant' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4839 1 stop_ 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 'RSVPR deltaLAM' 1 $RSVPR . . . native . . . . . 4839 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SwissProt P03322 . . . . . ; corresponds to residues 590-701 first three residues deleted from functional protease (LAM) ; 4839 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Rous sarcoma virus protease delta LAM mutant' system 4839 1 'RSVPR deltaLAM' abbreviation 4839 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'retroviral protease' 4839 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSVPR _Entity.Sf_category entity _Entity.Sf_framecode RSVPR _Entity.Entry_ID 4839 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rous sarcoma virus protease' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TMEHKDRPLVRVILTNTGSH PVKQRSVYITALLDSGADIT IISEEDWPTDWPVMEAANPQ IHGIGGGIPMRKSRDMIELG VINRDGSLERPLLLFPAVAM VRGSILGRDCLQGLGLRLTN L ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13285 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1MVP . "Structural Studies Of The Retroviral Proteinase From Avian Myeloblastosis Associated Virus" . . . . . 100.00 124 99.17 100.00 2.09e-80 . . . . 4839 1 2 no PDB 2RSP . "Structure Of The Aspartic Protease From Rous Sarcoma Retrovirus Refined At 2 Angstroms Resolution" . . . . . 100.00 124 100.00 100.00 7.99e-81 . . . . 4839 1 3 no DBJ BAA01499 . "gag polyprotein [Rous sarcoma virus - Schmidt-Ruppin D]" . . . . . 100.00 699 97.52 99.17 1.52e-73 . . . . 4839 1 4 no DBJ BAC78442 . "gag protein [Avian leukosis virus]" . . . . . 100.00 701 97.52 99.17 1.65e-73 . . . . 4839 1 5 no DBJ BAG16456 . "gag protein [Avian leukosis virus]" . . . . . 100.00 703 97.52 99.17 1.57e-73 . . . . 4839 1 6 no DBJ BAK64239 . "gag protein [Avian leukosis virus]" . . . . . 100.00 701 97.52 99.17 1.60e-73 . . . . 4839 1 7 no DBJ BAK64245 . "gag [Avian leukosis virus]" . . . . . 100.00 701 97.52 99.17 1.62e-73 . . . . 4839 1 8 no EMBL CAA24512 . "polyprotein gag [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 1.51e-75 . . . . 4839 1 9 no EMBL CAA31790 . "unnamed protein product [Avian retrovirus IC10]" . . . . . 55.37 567 98.51 98.51 2.42e-36 . . . . 4839 1 10 no EMBL CAA32008 . "unnamed protein product [Avian retrovirus IC10]" . . . . . 55.37 1079 98.51 98.51 2.93e-35 . . . . 4839 1 11 no EMBL CAA36153 . "unnamed protein product [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 2.18e-75 . . . . 4839 1 12 no EMBL CAA48534 . "gag [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 2.18e-75 . . . . 4839 1 13 no GB AAA19606 . "gag protein, partial [Rous sarcoma virus]" . . . . . 56.20 648 100.00 100.00 1.58e-37 . . . . 4839 1 14 no GB AAA19607 . "gag protein, partial [Rous sarcoma virus]" . . . . . 56.20 648 100.00 100.00 1.42e-37 . . . . 4839 1 15 no GB AAA46299 . "gag [Avian myeloblastosis-associated virus 1/2]" . . . . . 100.00 701 98.35 99.17 2.37e-74 . . . . 4839 1 16 no GB AAA46302 . "gag [Avian myeloblastosis-associated virus type 1]" . . . . . 100.00 701 98.35 99.17 2.57e-74 . . . . 4839 1 17 no GB AAA46305 . "gag [Avian myeloblastosis-associated virus type 2]" . . . . . 100.00 701 98.35 99.17 2.37e-74 . . . . 4839 1 18 no PRF 2019512A . "gag gene" . . . . . 56.20 648 100.00 100.00 1.58e-37 . . . . 4839 1 19 no PRF 2019512B . "gag gene" . . . . . 56.20 648 100.00 100.00 1.42e-37 . . . . 4839 1 20 no REF NP_056886 . "Pr180 polyprotein precursor [Rous sarcoma virus]" . . . . . 100.00 1603 100.00 100.00 6.10e-73 . . . . 4839 1 21 no REF NP_056887 . "Pr76 polyprotein precursor [Rous sarcoma virus]" . . . . . 100.00 701 100.00 100.00 1.51e-75 . . . . 4839 1 22 no REF NP_955613 . "p15 PR [Rous sarcoma virus]" . . . . . 100.00 134 100.00 100.00 5.43e-81 . . . . 4839 1 23 no REF YP_004222727 . "gag polyprotein [Avian leukemia virus]" . . . . . 100.00 701 97.52 99.17 1.30e-73 . . . . 4839 1 24 no SP O92954 . "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecName: " . . . . . 100.00 701 97.52 99.17 1.76e-73 . . . . 4839 1 25 no SP O92956 . "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" . . . . . 100.00 1603 97.52 99.17 3.86e-71 . . . . 4839 1 26 no SP P03322 . "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=p3; Contains: RecName: Full=Matrix protein p19; Contains: RecName: F" . . . . . 100.00 701 100.00 100.00 1.51e-75 . . . . 4839 1 27 no SP P03354 . "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" . . . . . 100.00 1603 100.00 100.00 6.10e-73 . . . . 4839 1 28 no SP P0C776 . "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecName: " . . . . . 100.00 701 99.17 100.00 4.64e-75 . . . . 4839 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Rous sarcoma virus protease' common 4839 1 deltaLAM variant 4839 1 RSVPR abbreviation 4839 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 4 THR . 4839 1 2 5 MET . 4839 1 3 6 GLU . 4839 1 4 7 HIS . 4839 1 5 8 LYS . 4839 1 6 9 ASP . 4839 1 7 10 ARG . 4839 1 8 11 PRO . 4839 1 9 12 LEU . 4839 1 10 13 VAL . 4839 1 11 14 ARG . 4839 1 12 15 VAL . 4839 1 13 16 ILE . 4839 1 14 17 LEU . 4839 1 15 18 THR . 4839 1 16 19 ASN . 4839 1 17 20 THR . 4839 1 18 21 GLY . 4839 1 19 22 SER . 4839 1 20 23 HIS . 4839 1 21 24 PRO . 4839 1 22 25 VAL . 4839 1 23 26 LYS . 4839 1 24 27 GLN . 4839 1 25 28 ARG . 4839 1 26 29 SER . 4839 1 27 30 VAL . 4839 1 28 31 TYR . 4839 1 29 32 ILE . 4839 1 30 33 THR . 4839 1 31 34 ALA . 4839 1 32 25 LEU . 4839 1 33 36 LEU . 4839 1 34 37 ASP . 4839 1 35 38 SER . 4839 1 36 39 GLY . 4839 1 37 40 ALA . 4839 1 38 41 ASP . 4839 1 39 42 ILE . 4839 1 40 43 THR . 4839 1 41 44 ILE . 4839 1 42 45 ILE . 4839 1 43 46 SER . 4839 1 44 47 GLU . 4839 1 45 48 GLU . 4839 1 46 49 ASP . 4839 1 47 50 TRP . 4839 1 48 51 PRO . 4839 1 49 52 THR . 4839 1 50 53 ASP . 4839 1 51 54 TRP . 4839 1 52 55 PRO . 4839 1 53 56 VAL . 4839 1 54 57 MET . 4839 1 55 58 GLU . 4839 1 56 59 ALA . 4839 1 57 60 ALA . 4839 1 58 61 ASN . 4839 1 59 62 PRO . 4839 1 60 63 GLN . 4839 1 61 64 ILE . 4839 1 62 65 HIS . 4839 1 63 66 GLY . 4839 1 64 67 ILE . 4839 1 65 68 GLY . 4839 1 66 69 GLY . 4839 1 67 70 GLY . 4839 1 68 71 ILE . 4839 1 69 72 PRO . 4839 1 70 73 MET . 4839 1 71 74 ARG . 4839 1 72 75 LYS . 4839 1 73 76 SER . 4839 1 74 77 ARG . 4839 1 75 78 ASP . 4839 1 76 79 MET . 4839 1 77 80 ILE . 4839 1 78 81 GLU . 4839 1 79 82 LEU . 4839 1 80 83 GLY . 4839 1 81 84 VAL . 4839 1 82 85 ILE . 4839 1 83 86 ASN . 4839 1 84 87 ARG . 4839 1 85 88 ASP . 4839 1 86 89 GLY . 4839 1 87 90 SER . 4839 1 88 91 LEU . 4839 1 89 92 GLU . 4839 1 90 93 ARG . 4839 1 91 94 PRO . 4839 1 92 95 LEU . 4839 1 93 96 LEU . 4839 1 94 97 LEU . 4839 1 95 98 PHE . 4839 1 96 99 PRO . 4839 1 97 100 ALA . 4839 1 98 101 VAL . 4839 1 99 102 ALA . 4839 1 100 103 MET . 4839 1 101 104 VAL . 4839 1 102 105 ARG . 4839 1 103 106 GLY . 4839 1 104 107 SER . 4839 1 105 108 ILE . 4839 1 106 109 LEU . 4839 1 107 110 GLY . 4839 1 108 111 ARG . 4839 1 109 112 ASP . 4839 1 110 113 CYS . 4839 1 111 114 LEU . 4839 1 112 115 GLN . 4839 1 113 116 GLY . 4839 1 114 117 LEU . 4839 1 115 118 GLY . 4839 1 116 119 LEU . 4839 1 117 120 ARG . 4839 1 118 121 LEU . 4839 1 119 122 THR . 4839 1 120 123 ASN . 4839 1 121 124 LEU . 4839 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 . THR 1 1 4839 1 . MET 2 2 4839 1 . GLU 3 3 4839 1 . HIS 4 4 4839 1 . LYS 5 5 4839 1 . ASP 6 6 4839 1 . ARG 7 7 4839 1 . PRO 8 8 4839 1 . LEU 9 9 4839 1 . VAL 10 10 4839 1 . ARG 11 11 4839 1 . VAL 12 12 4839 1 . ILE 13 13 4839 1 . LEU 14 14 4839 1 . THR 15 15 4839 1 . ASN 16 16 4839 1 . THR 17 17 4839 1 . GLY 18 18 4839 1 . SER 19 19 4839 1 . HIS 20 20 4839 1 . PRO 21 21 4839 1 . VAL 22 22 4839 1 . LYS 23 23 4839 1 . GLN 24 24 4839 1 . ARG 25 25 4839 1 . SER 26 26 4839 1 . VAL 27 27 4839 1 . TYR 28 28 4839 1 . ILE 29 29 4839 1 . THR 30 30 4839 1 . ALA 31 31 4839 1 . LEU 32 32 4839 1 . LEU 33 33 4839 1 . ASP 34 34 4839 1 . SER 35 35 4839 1 . GLY 36 36 4839 1 . ALA 37 37 4839 1 . ASP 38 38 4839 1 . ILE 39 39 4839 1 . THR 40 40 4839 1 . ILE 41 41 4839 1 . ILE 42 42 4839 1 . SER 43 43 4839 1 . GLU 44 44 4839 1 . GLU 45 45 4839 1 . ASP 46 46 4839 1 . TRP 47 47 4839 1 . PRO 48 48 4839 1 . THR 49 49 4839 1 . ASP 50 50 4839 1 . TRP 51 51 4839 1 . PRO 52 52 4839 1 . VAL 53 53 4839 1 . MET 54 54 4839 1 . GLU 55 55 4839 1 . ALA 56 56 4839 1 . ALA 57 57 4839 1 . ASN 58 58 4839 1 . PRO 59 59 4839 1 . GLN 60 60 4839 1 . ILE 61 61 4839 1 . HIS 62 62 4839 1 . GLY 63 63 4839 1 . ILE 64 64 4839 1 . GLY 65 65 4839 1 . GLY 66 66 4839 1 . GLY 67 67 4839 1 . ILE 68 68 4839 1 . PRO 69 69 4839 1 . MET 70 70 4839 1 . ARG 71 71 4839 1 . LYS 72 72 4839 1 . SER 73 73 4839 1 . ARG 74 74 4839 1 . ASP 75 75 4839 1 . MET 76 76 4839 1 . ILE 77 77 4839 1 . GLU 78 78 4839 1 . LEU 79 79 4839 1 . GLY 80 80 4839 1 . VAL 81 81 4839 1 . ILE 82 82 4839 1 . ASN 83 83 4839 1 . ARG 84 84 4839 1 . ASP 85 85 4839 1 . GLY 86 86 4839 1 . SER 87 87 4839 1 . LEU 88 88 4839 1 . GLU 89 89 4839 1 . ARG 90 90 4839 1 . PRO 91 91 4839 1 . LEU 92 92 4839 1 . LEU 93 93 4839 1 . LEU 94 94 4839 1 . PHE 95 95 4839 1 . PRO 96 96 4839 1 . ALA 97 97 4839 1 . VAL 98 98 4839 1 . ALA 99 99 4839 1 . MET 100 100 4839 1 . VAL 101 101 4839 1 . ARG 102 102 4839 1 . GLY 103 103 4839 1 . SER 104 104 4839 1 . ILE 105 105 4839 1 . LEU 106 106 4839 1 . GLY 107 107 4839 1 . ARG 108 108 4839 1 . ASP 109 109 4839 1 . CYS 110 110 4839 1 . LEU 111 111 4839 1 . GLN 112 112 4839 1 . GLY 113 113 4839 1 . LEU 114 114 4839 1 . GLY 115 115 4839 1 . LEU 116 116 4839 1 . ARG 117 117 4839 1 . LEU 118 118 4839 1 . THR 119 119 4839 1 . ASN 120 120 4839 1 . LEU 121 121 4839 1 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 4839 _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 $RSVPR . 11886 . . . 'Rous sarcoma virus' . 61.0.3 . . . . . . . . . . . . . . . . . . . . . . . . . 4839 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 4839 _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 $RSVPR . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'refolded from inclusion bodies' . . 4839 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 4839 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Rous sarcoma virus protease' [U-15N] . . 1 $RSVPR . . 3 . . mg/mL . . . . 4839 1 2 'Na phosphate' . . . . . . . 20 . . mM . . . . 4839 1 3 NaCl . . . . . . . 100 . . mM . . . . 4839 1 4 glycerol . . . . . . . 1 . . % . . . . 4839 1 5 urea . . . . . . . 0.4 . . M . . . . 4839 1 6 DTT . . . . . . . 10 . . mM . . . . 4839 1 7 AEBSF . . . . . . . 0.25 . . mM . . . . 4839 1 8 D2O . . . . . . . 7 . . % . . . . 4839 1 stop_ save_ save_13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_sample _Sample.Entry_ID 4839 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Rous sarcoma virus protease' [U-13C] . . 1 $RSVPR . . 3 . . mg/mL . . . . 4839 2 2 'Na phosphate' . . . . . . . 20 . . mM . . . . 4839 2 3 NaCl . . . . . . . 100 . . mM . . . . 4839 2 4 glycerol . . . . . . . 1 . . % . . . . 4839 2 5 urea . . . . . . . 0.4 . . M . . . . 4839 2 6 DTT . . . . . . . 10 . . mM . . . . 4839 2 7 AEBSF . . . . . . . 0.25 . . mM . . . . 4839 2 8 D2O . . . . . . . 7 . . % . . . . 4839 2 stop_ save_ save_13C_sample_in_D20 _Sample.Sf_category sample _Sample.Sf_framecode 13C_sample_in_D20 _Sample.Entry_ID 4839 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Rous sarcoma virus protease' [U-13C] . . 1 $RSVPR . . 3 . . mg/mL . . . . 4839 3 2 'Na phosphate' . . . . . . . 20 . . mM . . . . 4839 3 3 NaCl . . . . . . . 100 . . mM . . . . 4839 3 4 glycerol . . . . . . . 1 . . % . . . . 4839 3 5 urea . . . . . . . 0.4 . . M . . . . 4839 3 6 DTT . . . . . . . 10 . . mM . . . . 4839 3 7 AEBSF . . . . . . . 0.25 . . mM . . . . 4839 3 8 D2O . . . . . . . 100 . . % . . . . 4839 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4839 _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* 6.0 0.05 n/a 4839 1 temperature 298 1 K 4839 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4839 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4839 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 4839 _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 NMR_spectrometer Varian INOVA . 600 . . . 4839 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 4839 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 2 '2D homonuclear NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 3 '2D homonuclear TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 4 '15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 5 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 6 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 7 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 8 'HNCACB (optimized for B)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 9 CCC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 10 HCC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 11 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 12 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 13 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 14 13C-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 15 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4839 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D homonuclear NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D homonuclear TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'HNCACB (optimized for B)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CCC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 13C-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4839 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4839 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4839 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4839 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4839 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4839 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $15N_sample . 4839 1 . . 2 $13C_sample . 4839 1 . . 3 $13C_sample_in_D20 . 4839 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 4839 1 2 . 1 1 2 2 MET HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4839 1 3 . 1 1 2 2 MET HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4839 1 4 . 1 1 2 2 MET HG2 H 1 2.51 0.02 . 1 . . . . . . . . 4839 1 5 . 1 1 2 2 MET HG3 H 1 2.51 0.02 . 1 . . . . . . . . 4839 1 6 . 1 1 2 2 MET C C 13 174.55 0.25 . 1 . . . . . . . . 4839 1 7 . 1 1 2 2 MET CA C 13 55.89 0.25 . 1 . . . . . . . . 4839 1 8 . 1 1 2 2 MET CB C 13 33.08 0.25 . 1 . . . . . . . . 4839 1 9 . 1 1 2 2 MET CG C 13 32.18 0.25 . 1 . . . . . . . . 4839 1 10 . 1 1 3 3 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4839 1 11 . 1 1 3 3 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 4839 1 12 . 1 1 3 3 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4839 1 13 . 1 1 3 3 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4839 1 14 . 1 1 3 3 GLU HG2 H 1 2.17 0.02 . 1 . . . . . . . . 4839 1 15 . 1 1 3 3 GLU HG3 H 1 2.17 0.02 . 1 . . . . . . . . 4839 1 16 . 1 1 3 3 GLU C C 13 174.96 0.25 . 1 . . . . . . . . 4839 1 17 . 1 1 3 3 GLU CA C 13 56.90 0.25 . 1 . . . . . . . . 4839 1 18 . 1 1 3 3 GLU CB C 13 30.58 0.25 . 1 . . . . . . . . 4839 1 19 . 1 1 3 3 GLU CG C 13 36.42 0.25 . 1 . . . . . . . . 4839 1 20 . 1 1 3 3 GLU N N 15 122.35 0.25 . 1 . . . . . . . . 4839 1 21 . 1 1 4 4 HIS H H 1 8.56 0.02 . 1 . . . . . . . . 4839 1 22 . 1 1 4 4 HIS HA H 1 4.56 0.02 . 1 . . . . . . . . 4839 1 23 . 1 1 4 4 HIS HB2 H 1 3.13 0.02 . 2 . . . . . . . . 4839 1 24 . 1 1 4 4 HIS HB3 H 1 3.06 0.02 . 2 . . . . . . . . 4839 1 25 . 1 1 4 4 HIS HD2 H 1 7.00 0.04 . 5 . . . . . . . . 4839 1 26 . 1 1 4 4 HIS HE1 H 1 7.86 0.04 . 5 . . . . . . . . 4839 1 27 . 1 1 4 4 HIS C C 13 176.23 0.25 . 1 . . . . . . . . 4839 1 28 . 1 1 4 4 HIS CA C 13 55.84 0.25 . 1 . . . . . . . . 4839 1 29 . 1 1 4 4 HIS CB C 13 29.97 0.25 . 1 . . . . . . . . 4839 1 30 . 1 1 4 4 HIS N N 15 119.86 0.02 . 1 . . . . . . . . 4839 1 31 . 1 1 5 5 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 4839 1 32 . 1 1 5 5 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4839 1 33 . 1 1 5 5 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4839 1 34 . 1 1 5 5 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 4839 1 35 . 1 1 5 5 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 4839 1 36 . 1 1 5 5 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 4839 1 37 . 1 1 5 5 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4839 1 38 . 1 1 5 5 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4839 1 39 . 1 1 5 5 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4839 1 40 . 1 1 5 5 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4839 1 41 . 1 1 5 5 LYS C C 13 175.14 0.25 . 1 . . . . . . . . 4839 1 42 . 1 1 5 5 LYS CA C 13 56.52 0.25 . 1 . . . . . . . . 4839 1 43 . 1 1 5 5 LYS CB C 13 33.42 0.25 . 1 . . . . . . . . 4839 1 44 . 1 1 5 5 LYS CG C 13 24.87 0.25 . 1 . . . . . . . . 4839 1 45 . 1 1 5 5 LYS CD C 13 29.32 0.25 . 1 . . . . . . . . 4839 1 46 . 1 1 5 5 LYS CE C 13 42.30 0.25 . 1 . . . . . . . . 4839 1 47 . 1 1 5 5 LYS N N 15 122.58 0.25 . 1 . . . . . . . . 4839 1 48 . 1 1 6 6 ASP H H 1 8.49 0.02 . 1 . . . . . . . . 4839 1 49 . 1 1 6 6 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4839 1 50 . 1 1 6 6 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 4839 1 51 . 1 1 6 6 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4839 1 52 . 1 1 6 6 ASP C C 13 175.27 0.25 . 1 . . . . . . . . 4839 1 53 . 1 1 6 6 ASP CA C 13 54.27 0.25 . 1 . . . . . . . . 4839 1 54 . 1 1 6 6 ASP CB C 13 41.40 0.25 . 1 . . . . . . . . 4839 1 55 . 1 1 6 6 ASP N N 15 120.99 0.25 . 1 . . . . . . . . 4839 1 56 . 1 1 7 7 ARG H H 1 8.14 0.02 . 1 . . . . . . . . 4839 1 57 . 1 1 7 7 ARG HA H 1 4.72 0.02 . 1 . . . . . . . . 4839 1 58 . 1 1 7 7 ARG HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4839 1 59 . 1 1 7 7 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4839 1 60 . 1 1 7 7 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4839 1 61 . 1 1 7 7 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4839 1 62 . 1 1 7 7 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4839 1 63 . 1 1 7 7 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4839 1 64 . 1 1 7 7 ARG CA C 13 58.27 0.02 . 1 . . . . . . . . 4839 1 65 . 1 1 7 7 ARG CB C 13 31.34 0.25 . 1 . . . . . . . . 4839 1 66 . 1 1 7 7 ARG CG C 13 27.5 0.25 . 1 . . . . . . . . 4839 1 67 . 1 1 7 7 ARG CD C 13 43.95 0.25 . 1 . . . . . . . . 4839 1 68 . 1 1 7 7 ARG N N 15 121.6 0.25 . 1 . . . . . . . . 4839 1 69 . 1 1 8 8 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4839 1 70 . 1 1 8 8 PRO HB2 H 1 2.20 0.02 . 2 . . . . . . . . 4839 1 71 . 1 1 8 8 PRO HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4839 1 72 . 1 1 8 8 PRO HG2 H 1 2.04 0.02 . 1 . . . . . . . . 4839 1 73 . 1 1 8 8 PRO HG3 H 1 2.04 0.02 . 1 . . . . . . . . 4839 1 74 . 1 1 8 8 PRO HD2 H 1 3.84 0.02 . 1 . . . . . . . . 4839 1 75 . 1 1 8 8 PRO HD3 H 1 3.84 0.02 . 1 . . . . . . . . 4839 1 76 . 1 1 8 8 PRO C C 13 173.49 0.25 . 1 . . . . . . . . 4839 1 77 . 1 1 8 8 PRO CA C 13 63.08 0.25 . 1 . . . . . . . . 4839 1 78 . 1 1 8 8 PRO CB C 13 32.14 0.25 . 1 . . . . . . . . 4839 1 79 . 1 1 8 8 PRO CG C 13 27.70 0.25 . 1 . . . . . . . . 4839 1 80 . 1 1 9 9 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 4839 1 81 . 1 1 9 9 LEU HA H 1 4.99 0.02 . 1 . . . . . . . . 4839 1 82 . 1 1 9 9 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 4839 1 83 . 1 1 9 9 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 4839 1 84 . 1 1 9 9 LEU HG H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 85 . 1 1 9 9 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 4839 1 86 . 1 1 9 9 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 4839 1 87 . 1 1 9 9 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 4839 1 88 . 1 1 9 9 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4839 1 89 . 1 1 9 9 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4839 1 90 . 1 1 9 9 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4839 1 91 . 1 1 9 9 LEU C C 13 173.49 0.25 . 1 . . . . . . . . 4839 1 92 . 1 1 9 9 LEU CA C 13 54.42 0.25 . 1 . . . . . . . . 4839 1 93 . 1 1 9 9 LEU CB C 13 44.00 0.25 . 1 . . . . . . . . 4839 1 94 . 1 1 9 9 LEU CG C 13 27.35 0.25 . 1 . . . . . . . . 4839 1 95 . 1 1 9 9 LEU CD1 C 13 25.12 0.25 . 2 . . . . . . . . 4839 1 96 . 1 1 9 9 LEU CD2 C 13 24.76 0.25 . 2 . . . . . . . . 4839 1 97 . 1 1 9 9 LEU N N 15 121.71 0.25 . 1 . . . . . . . . 4839 1 98 . 1 1 10 10 VAL H H 1 9.27 0.02 . 1 . . . . . . . . 4839 1 99 . 1 1 10 10 VAL HA H 1 4.61 0.02 . 1 . . . . . . . . 4839 1 100 . 1 1 10 10 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4839 1 101 . 1 1 10 10 VAL HG11 H 1 0.82 0.02 . 2 . . . . . . . . 4839 1 102 . 1 1 10 10 VAL HG12 H 1 0.82 0.02 . 2 . . . . . . . . 4839 1 103 . 1 1 10 10 VAL HG13 H 1 0.82 0.02 . 2 . . . . . . . . 4839 1 104 . 1 1 10 10 VAL HG21 H 1 0.77 0.02 . 2 . . . . . . . . 4839 1 105 . 1 1 10 10 VAL HG22 H 1 0.77 0.02 . 2 . . . . . . . . 4839 1 106 . 1 1 10 10 VAL HG23 H 1 0.77 0.02 . 2 . . . . . . . . 4839 1 107 . 1 1 10 10 VAL C C 13 176.93 0.25 . 1 . . . . . . . . 4839 1 108 . 1 1 10 10 VAL CA C 13 59.72 0.25 . 1 . . . . . . . . 4839 1 109 . 1 1 10 10 VAL CB C 13 35.33 0.25 . 1 . . . . . . . . 4839 1 110 . 1 1 10 10 VAL CG1 C 13 22.56 0.25 . 2 . . . . . . . . 4839 1 111 . 1 1 10 10 VAL N N 15 119.05 0.25 . 1 . . . . . . . . 4839 1 112 . 1 1 11 11 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 4839 1 113 . 1 1 11 11 ARG HA H 1 4.92 0.02 . 1 . . . . . . . . 4839 1 114 . 1 1 11 11 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4839 1 115 . 1 1 11 11 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4839 1 116 . 1 1 11 11 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 4839 1 117 . 1 1 11 11 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 4839 1 118 . 1 1 11 11 ARG HD2 H 1 3.08 0.02 . 2 . . . . . . . . 4839 1 119 . 1 1 11 11 ARG HD3 H 1 3.11 0.02 . 2 . . . . . . . . 4839 1 120 . 1 1 11 11 ARG C C 13 176.35 0.25 . 1 . . . . . . . . 4839 1 121 . 1 1 11 11 ARG CA C 13 55.55 0.25 . 1 . . . . . . . . 4839 1 122 . 1 1 11 11 ARG CB C 13 31.87 0.25 . 1 . . . . . . . . 4839 1 123 . 1 1 11 11 ARG CG C 13 27.82 0.25 . 1 . . . . . . . . 4839 1 124 . 1 1 11 11 ARG CD C 13 43.72 0.25 . 1 . . . . . . . . 4839 1 125 . 1 1 11 11 ARG N N 15 123.09 0.25 . 1 . . . . . . . . 4839 1 126 . 1 1 12 12 VAL H H 1 8.79 0.02 . 1 . . . . . . . . 4839 1 127 . 1 1 12 12 VAL HA H 1 4.98 0.02 . 1 . . . . . . . . 4839 1 128 . 1 1 12 12 VAL HB H 1 1.75 0.02 . 1 . . . . . . . . 4839 1 129 . 1 1 12 12 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 4839 1 130 . 1 1 12 12 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 4839 1 131 . 1 1 12 12 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 4839 1 132 . 1 1 12 12 VAL C C 13 176.90 0.25 . 1 . . . . . . . . 4839 1 133 . 1 1 12 12 VAL CA C 13 59.79 0.25 . 1 . . . . . . . . 4839 1 134 . 1 1 12 12 VAL CB C 13 36.59 0.25 . 1 . . . . . . . . 4839 1 135 . 1 1 12 12 VAL CG1 C 13 22.98 0.25 . 2 . . . . . . . . 4839 1 136 . 1 1 12 12 VAL N N 15 120.96 0.25 . 1 . . . . . . . . 4839 1 137 . 1 1 13 13 ILE H H 1 9.16 0.02 . 1 . . . . . . . . 4839 1 138 . 1 1 13 13 ILE HA H 1 4.79 0.02 . 1 . . . . . . . . 4839 1 139 . 1 1 13 13 ILE C C 13 175.88 0.25 . 1 . . . . . . . . 4839 1 140 . 1 1 13 13 ILE CA C 13 59.22 0.25 . 1 . . . . . . . . 4839 1 141 . 1 1 13 13 ILE CB C 13 40.00 0.25 . 9 . . . . . . . . 4839 1 142 . 1 1 13 13 ILE N N 15 124.01 0.25 . 1 . . . . . . . . 4839 1 143 . 1 1 14 14 LEU H H 1 9.00 0.02 . 1 . . . . . . . . 4839 1 144 . 1 1 14 14 LEU HA H 1 5.23 0.02 . 1 . . . . . . . . 4839 1 145 . 1 1 14 14 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 4839 1 146 . 1 1 14 14 LEU HB3 H 1 1.42 0.02 . 2 . . . . . . . . 4839 1 147 . 1 1 14 14 LEU C C 13 174.52 0.25 . 1 . . . . . . . . 4839 1 148 . 1 1 14 14 LEU CA C 13 53.11 0.25 . 1 . . . . . . . . 4839 1 149 . 1 1 14 14 LEU CB C 13 44.33 0.25 . 1 . . . . . . . . 4839 1 150 . 1 1 14 14 LEU N N 15 125.51 0.25 . 1 . . . . . . . . 4839 1 151 . 1 1 15 15 THR H H 1 9.12 0.02 . 1 . . . . . . . . 4839 1 152 . 1 1 15 15 THR HA H 1 5.40 0.02 . 1 . . . . . . . . 4839 1 153 . 1 1 15 15 THR HB H 1 3.88 0.02 . 1 . . . . . . . . 4839 1 154 . 1 1 15 15 THR HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4839 1 155 . 1 1 15 15 THR HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4839 1 156 . 1 1 15 15 THR HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4839 1 157 . 1 1 15 15 THR C C 13 177.91 0.25 . 1 . . . . . . . . 4839 1 158 . 1 1 15 15 THR CA C 13 61.23 0.25 . 1 . . . . . . . . 4839 1 159 . 1 1 15 15 THR CB C 13 71.29 0.25 . 1 . . . . . . . . 4839 1 160 . 1 1 15 15 THR CG2 C 13 21.17 0.25 . 1 . . . . . . . . 4839 1 161 . 1 1 15 15 THR N N 15 118.19 0.25 . 1 . . . . . . . . 4839 1 162 . 1 1 16 16 ASN H H 1 8.54 0.02 . 1 . . . . . . . . 4839 1 163 . 1 1 16 16 ASN HA H 1 3.83 0.02 . 1 . . . . . . . . 4839 1 164 . 1 1 16 16 ASN C C 13 175.54 0.25 . 1 . . . . . . . . 4839 1 165 . 1 1 16 16 ASN CA C 13 53.79 0.25 . 1 . . . . . . . . 4839 1 166 . 1 1 16 16 ASN CB C 13 37.39 0.25 . 1 . . . . . . . . 4839 1 167 . 1 1 16 16 ASN N N 15 126.48 0.25 . 1 . . . . . . . . 4839 1 168 . 1 1 17 17 THR H H 1 7.42 0.02 . 1 . . . . . . . . 4839 1 169 . 1 1 17 17 THR HA H 1 4.11 0.02 . 1 . . . . . . . . 4839 1 170 . 1 1 17 17 THR HB H 1 3.69 0.02 . 1 . . . . . . . . 4839 1 171 . 1 1 17 17 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 4839 1 172 . 1 1 17 17 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 4839 1 173 . 1 1 17 17 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 4839 1 174 . 1 1 17 17 THR C C 13 175.54 0.25 . 1 . . . . . . . . 4839 1 175 . 1 1 17 17 THR CA C 13 62.41 0.25 . 1 . . . . . . . . 4839 1 176 . 1 1 17 17 THR CB C 13 69.89 0.25 . 1 . . . . . . . . 4839 1 177 . 1 1 17 17 THR CG2 C 13 21.86 0.25 . 1 . . . . . . . . 4839 1 178 . 1 1 18 18 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 4839 1 179 . 1 1 18 18 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 4839 1 180 . 1 1 18 18 GLY HA3 H 1 4.07 0.02 . 1 . . . . . . . . 4839 1 181 . 1 1 18 18 GLY C C 13 176.85 0.25 . 1 . . . . . . . . 4839 1 182 . 1 1 18 18 GLY CA C 13 45.41 0.25 . 1 . . . . . . . . 4839 1 183 . 1 1 18 18 GLY N N 15 109.48 0.25 . 1 . . . . . . . . 4839 1 184 . 1 1 19 19 SER H H 1 8.65 0.02 . 1 . . . . . . . . 4839 1 185 . 1 1 19 19 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4839 1 186 . 1 1 19 19 SER C C 13 177.53 0.25 . 1 . . . . . . . . 4839 1 187 . 1 1 19 19 SER CA C 13 56.96 0.25 . 1 . . . . . . . . 4839 1 188 . 1 1 19 19 SER CB C 13 66.41 0.25 . 1 . . . . . . . . 4839 1 189 . 1 1 19 19 SER N N 15 115.08 0.25 . 1 . . . . . . . . 4839 1 190 . 1 1 20 20 HIS H H 1 9.00 0.02 . 1 . . . . . . . . 4839 1 191 . 1 1 20 20 HIS HA H 1 4.52 0.02 . 1 . . . . . . . . 4839 1 192 . 1 1 20 20 HIS HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4839 1 193 . 1 1 20 20 HIS HB3 H 1 3.05 0.02 . 2 . . . . . . . . 4839 1 194 . 1 1 20 20 HIS HD2 H 1 7.00 0.04 . 5 . . . . . . . . 4839 1 195 . 1 1 20 20 HIS HE1 H 1 7.86 0.04 . 5 . . . . . . . . 4839 1 196 . 1 1 20 20 HIS C C 13 178.09 0.25 . 1 . . . . . . . . 4839 1 197 . 1 1 20 20 HIS CA C 13 59.85 0.25 . 1 . . . . . . . . 4839 1 198 . 1 1 20 20 HIS CB C 13 30.12 0.25 . 1 . . . . . . . . 4839 1 199 . 1 1 20 20 HIS N N 15 115.8 0.25 . 1 . . . . . . . . 4839 1 200 . 1 1 21 21 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4839 1 201 . 1 1 21 21 PRO HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4839 1 202 . 1 1 21 21 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4839 1 203 . 1 1 21 21 PRO HD2 H 1 3.75 0.02 . 1 . . . . . . . . 4839 1 204 . 1 1 21 21 PRO HD3 H 1 3.75 0.02 . 1 . . . . . . . . 4839 1 205 . 1 1 21 21 PRO C C 13 174.33 0.25 . 1 . . . . . . . . 4839 1 206 . 1 1 21 21 PRO CA C 13 63.72 0.25 . 1 . . . . . . . . 4839 1 207 . 1 1 21 21 PRO CB C 13 31.74 0.25 . 1 . . . . . . . . 4839 1 208 . 1 1 21 21 PRO CG C 13 28.03 0.25 . 1 . . . . . . . . 4839 1 209 . 1 1 22 22 VAL H H 1 7.84 0.02 . 1 . . . . . . . . 4839 1 210 . 1 1 22 22 VAL HA H 1 4.54 0.02 . 1 . . . . . . . . 4839 1 211 . 1 1 22 22 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4839 1 212 . 1 1 22 22 VAL HG11 H 1 0.8 0.02 . 9 . . . . . . . . 4839 1 213 . 1 1 22 22 VAL HG12 H 1 0.8 0.02 . 9 . . . . . . . . 4839 1 214 . 1 1 22 22 VAL HG13 H 1 0.8 0.02 . 9 . . . . . . . . 4839 1 215 . 1 1 22 22 VAL C C 13 175.28 0.25 . 1 . . . . . . . . 4839 1 216 . 1 1 22 22 VAL CA C 13 59.43 0.25 . 1 . . . . . . . . 4839 1 217 . 1 1 22 22 VAL CB C 13 35.35 0.25 . 1 . . . . . . . . 4839 1 218 . 1 1 22 22 VAL N N 15 115.85 0.25 . 1 . . . . . . . . 4839 1 219 . 1 1 23 23 LYS H H 1 10.13 0.02 . 1 . . . . . . . . 4839 1 220 . 1 1 23 23 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 4839 1 221 . 1 1 23 23 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4839 1 222 . 1 1 23 23 LYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4839 1 223 . 1 1 23 23 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 4839 1 224 . 1 1 23 23 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 4839 1 225 . 1 1 23 23 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 226 . 1 1 23 23 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 227 . 1 1 23 23 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4839 1 228 . 1 1 23 23 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4839 1 229 . 1 1 23 23 LYS C C 13 172.93 0.25 . 1 . . . . . . . . 4839 1 230 . 1 1 23 23 LYS CA C 13 60.00 0.25 . 1 . . . . . . . . 4839 1 231 . 1 1 23 23 LYS CB C 13 32.40 0.25 . 1 . . . . . . . . 4839 1 232 . 1 1 23 23 LYS CG C 13 25.63 0.25 . 1 . . . . . . . . 4839 1 233 . 1 1 23 23 LYS CD C 13 29.15 0.25 . 1 . . . . . . . . 4839 1 234 . 1 1 23 23 LYS CE C 13 42.30 0.25 . 1 . . . . . . . . 4839 1 235 . 1 1 23 23 LYS N N 15 125.72 0.25 . 1 . . . . . . . . 4839 1 236 . 1 1 24 24 GLN H H 1 9.29 0.02 . 1 . . . . . . . . 4839 1 237 . 1 1 24 24 GLN HA H 1 4.59 0.02 . 1 . . . . . . . . 4839 1 238 . 1 1 24 24 GLN HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4839 1 239 . 1 1 24 24 GLN C C 13 175.81 0.25 . 1 . . . . . . . . 4839 1 240 . 1 1 24 24 GLN CA C 13 55.15 0.25 . 1 . . . . . . . . 4839 1 241 . 1 1 24 24 GLN CB C 13 31.13 0.25 . 1 . . . . . . . . 4839 1 242 . 1 1 24 24 GLN N N 15 118.07 0.25 . 1 . . . . . . . . 4839 1 243 . 1 1 25 25 ARG H H 1 7.52 0.02 . 1 . . . . . . . . 4839 1 244 . 1 1 25 25 ARG HA H 1 4.52 0.02 . 1 . . . . . . . . 4839 1 245 . 1 1 25 25 ARG C C 13 175.06 0.25 . 1 . . . . . . . . 4839 1 246 . 1 1 25 25 ARG CA C 13 59.40 0.25 . 1 . . . . . . . . 4839 1 247 . 1 1 25 25 ARG N N 15 116.6 0.25 . 1 . . . . . . . . 4839 1 248 . 1 1 26 26 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 4839 1 249 . 1 1 26 26 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 4839 1 250 . 1 1 26 26 SER HB3 H 1 3.79 0.02 . 2 . . . . . . . . 4839 1 251 . 1 1 26 26 SER CA C 13 57.74 0.25 . 1 . . . . . . . . 4839 1 252 . 1 1 26 26 SER CB C 13 63.43 0.25 . 1 . . . . . . . . 4839 1 253 . 1 1 27 27 VAL H H 1 7.69 0.02 . 1 . . . . . . . . 4839 1 254 . 1 1 27 27 VAL HA H 1 4.87 0.02 . 1 . . . . . . . . 4839 1 255 . 1 1 27 27 VAL C C 13 174.72 0.25 . 1 . . . . . . . . 4839 1 256 . 1 1 27 27 VAL CA C 13 53.76 0.25 . 1 . . . . . . . . 4839 1 257 . 1 1 27 27 VAL N N 15 119.46 0.25 . 1 . . . . . . . . 4839 1 258 . 1 1 28 28 TYR HA H 1 5.41 0.02 . 1 . . . . . . . . 4839 1 259 . 1 1 28 28 TYR HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4839 1 260 . 1 1 28 28 TYR HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4839 1 261 . 1 1 28 28 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . 4839 1 262 . 1 1 28 28 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . 4839 1 263 . 1 1 28 28 TYR HE1 H 1 6.67 0.02 . 1 . . . . . . . . 4839 1 264 . 1 1 28 28 TYR HE2 H 1 6.67 0.02 . 1 . . . . . . . . 4839 1 265 . 1 1 28 28 TYR C C 13 174.53 0.25 . 1 . . . . . . . . 4839 1 266 . 1 1 28 28 TYR CA C 13 56.80 0.25 . 1 . . . . . . . . 4839 1 267 . 1 1 28 28 TYR CB C 13 40.22 0.25 . 1 . . . . . . . . 4839 1 268 . 1 1 29 29 ILE H H 1 9.21 0.02 . 1 . . . . . . . . 4839 1 269 . 1 1 29 29 ILE HA H 1 4.83 0.02 . 1 . . . . . . . . 4839 1 270 . 1 1 29 29 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 4839 1 271 . 1 1 29 29 ILE HG12 H 1 1.57 0.02 . 1 . . . . . . . . 4839 1 272 . 1 1 29 29 ILE HG13 H 1 1.57 0.02 . 1 . . . . . . . . 4839 1 273 . 1 1 29 29 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4839 1 274 . 1 1 29 29 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4839 1 275 . 1 1 29 29 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4839 1 276 . 1 1 29 29 ILE HD11 H 1 1.18 0.02 . 1 . . . . . . . . 4839 1 277 . 1 1 29 29 ILE HD12 H 1 1.18 0.02 . 1 . . . . . . . . 4839 1 278 . 1 1 29 29 ILE HD13 H 1 1.18 0.02 . 1 . . . . . . . . 4839 1 279 . 1 1 29 29 ILE C C 13 176.02 0.25 . 1 . . . . . . . . 4839 1 280 . 1 1 29 29 ILE CA C 13 59.44 0.25 . 1 . . . . . . . . 4839 1 281 . 1 1 29 29 ILE CB C 13 42.40 0.25 . 1 . . . . . . . . 4839 1 282 . 1 1 29 29 ILE N N 15 116.82 0.25 . 1 . . . . . . . . 4839 1 283 . 1 1 30 30 THR H H 1 8.54 0.02 . 1 . . . . . . . . 4839 1 284 . 1 1 30 30 THR HA H 1 5.16 0.02 . 1 . . . . . . . . 4839 1 285 . 1 1 30 30 THR HB H 1 3.98 0.02 . 1 . . . . . . . . 4839 1 286 . 1 1 30 30 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4839 1 287 . 1 1 30 30 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4839 1 288 . 1 1 30 30 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4839 1 289 . 1 1 30 30 THR C C 13 177.82 0.25 . 1 . . . . . . . . 4839 1 290 . 1 1 30 30 THR CA C 13 61.32 0.25 . 1 . . . . . . . . 4839 1 291 . 1 1 30 30 THR CB C 13 70.73 0.25 . 1 . . . . . . . . 4839 1 292 . 1 1 30 30 THR CG2 C 13 22.80 0.25 . 1 . . . . . . . . 4839 1 293 . 1 1 30 30 THR N N 15 114.90 0.25 . 1 . . . . . . . . 4839 1 294 . 1 1 31 31 ALA H H 1 9.17 0.02 . 1 . . . . . . . . 4839 1 295 . 1 1 31 31 ALA HA H 1 4.64 0.02 . 1 . . . . . . . . 4839 1 296 . 1 1 31 31 ALA HB1 H 1 0.96 0.02 . 1 . . . . . . . . 4839 1 297 . 1 1 31 31 ALA HB2 H 1 0.96 0.02 . 1 . . . . . . . . 4839 1 298 . 1 1 31 31 ALA HB3 H 1 0.96 0.02 . 1 . . . . . . . . 4839 1 299 . 1 1 31 31 ALA C C 13 176.76 0.25 . 1 . . . . . . . . 4839 1 300 . 1 1 31 31 ALA CA C 13 50.37 0.25 . 1 . . . . . . . . 4839 1 301 . 1 1 31 31 ALA CB C 13 23.67 0.25 . 1 . . . . . . . . 4839 1 302 . 1 1 31 31 ALA N N 15 125.09 0.25 . 1 . . . . . . . . 4839 1 303 . 1 1 32 32 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 4839 1 304 . 1 1 32 32 LEU HA H 1 4.88 0.02 . 1 . . . . . . . . 4839 1 305 . 1 1 32 32 LEU HB2 H 1 1.59 0.02 . 1 . . . . . . . . 4839 1 306 . 1 1 32 32 LEU HB3 H 1 1.59 0.02 . 1 . . . . . . . . 4839 1 307 . 1 1 32 32 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4839 1 308 . 1 1 32 32 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 4839 1 309 . 1 1 32 32 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 4839 1 310 . 1 1 32 32 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 4839 1 311 . 1 1 32 32 LEU C C 13 174.73 0.25 . 1 . . . . . . . . 4839 1 312 . 1 1 32 32 LEU CA C 13 53.94 0.25 . 1 . . . . . . . . 4839 1 313 . 1 1 32 32 LEU CB C 13 44.72 0.25 . 1 . . . . . . . . 4839 1 314 . 1 1 32 32 LEU CG C 13 25.34 0.25 . 1 . . . . . . . . 4839 1 315 . 1 1 32 32 LEU CD1 C 13 27.28 0.25 . 2 . . . . . . . . 4839 1 316 . 1 1 32 32 LEU CD2 C 13 21.47 0.25 . 2 . . . . . . . . 4839 1 317 . 1 1 32 32 LEU N N 15 120.02 0.25 . 1 . . . . . . . . 4839 1 318 . 1 1 33 33 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 4839 1 319 . 1 1 33 33 LEU HA H 1 4.59 0.02 . 1 . . . . . . . . 4839 1 320 . 1 1 33 33 LEU HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4839 1 321 . 1 1 33 33 LEU HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4839 1 322 . 1 1 33 33 LEU C C 13 175.51 0.25 . 1 . . . . . . . . 4839 1 323 . 1 1 33 33 LEU CA C 13 55.01 0.25 . 1 . . . . . . . . 4839 1 324 . 1 1 33 33 LEU CB C 13 42.36 0.25 . 1 . . . . . . . . 4839 1 325 . 1 1 33 33 LEU CG C 13 27.44 0.25 . 1 . . . . . . . . 4839 1 326 . 1 1 33 33 LEU CD1 C 13 25.7 0.25 . 2 . . . . . . . . 4839 1 327 . 1 1 33 33 LEU CD2 C 13 13.59 0.25 . 9 . . . . . . . . 4839 1 328 . 1 1 34 34 ASP H H 1 8.74 0.02 . 1 . . . . . . . . 4839 1 329 . 1 1 34 34 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4839 1 330 . 1 1 34 34 ASP HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4839 1 331 . 1 1 34 34 ASP HB3 H 1 2.09 0.02 . 9 . . . . . . . . 4839 1 332 . 1 1 34 34 ASP C C 13 175.64 0.25 . 1 . . . . . . . . 4839 1 333 . 1 1 34 34 ASP CA C 13 52.82 0.25 . 1 . . . . . . . . 4839 1 334 . 1 1 34 34 ASP CB C 13 43.36 0.25 . 1 . . . . . . . . 4839 1 335 . 1 1 34 34 ASP N N 15 124.89 0.25 . 1 . . . . . . . . 4839 1 336 . 1 1 35 35 SER H H 1 8.55 0.02 . 1 . . . . . . . . 4839 1 337 . 1 1 35 35 SER HA H 1 3.94 0.02 . 1 . . . . . . . . 4839 1 338 . 1 1 35 35 SER HB2 H 1 3.74 0.02 . 2 . . . . . . . . 4839 1 339 . 1 1 35 35 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4839 1 340 . 1 1 35 35 SER C C 13 176.44 0.25 . 1 . . . . . . . . 4839 1 341 . 1 1 35 35 SER CA C 13 60.23 0.25 . 1 . . . . . . . . 4839 1 342 . 1 1 35 35 SER CB C 13 63.27 0.25 . 1 . . . . . . . . 4839 1 343 . 1 1 35 35 SER N N 15 118.21 0.25 . 1 . . . . . . . . 4839 1 344 . 1 1 36 36 GLY H H 1 8.83 0.02 . 1 . . . . . . . . 4839 1 345 . 1 1 36 36 GLY HA2 H 1 4.17 0.02 . 2 . . . . . . . . 4839 1 346 . 1 1 36 36 GLY HA3 H 1 3.58 0.02 . 2 . . . . . . . . 4839 1 347 . 1 1 36 36 GLY C C 13 177.38 0.25 . 1 . . . . . . . . 4839 1 348 . 1 1 36 36 GLY CA C 13 45.26 0.25 . 1 . . . . . . . . 4839 1 349 . 1 1 36 36 GLY N N 15 108.75 0.25 . 1 . . . . . . . . 4839 1 350 . 1 1 37 37 ALA H H 1 7.45 0.02 . 1 . . . . . . . . 4839 1 351 . 1 1 37 37 ALA HA H 1 4.53 0.02 . 1 . . . . . . . . 4839 1 352 . 1 1 37 37 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4839 1 353 . 1 1 37 37 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4839 1 354 . 1 1 37 37 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4839 1 355 . 1 1 37 37 ALA C C 13 174.25 0.25 . 1 . . . . . . . . 4839 1 356 . 1 1 37 37 ALA CA C 13 50.94 0.25 . 1 . . . . . . . . 4839 1 357 . 1 1 37 37 ALA CB C 13 19.94 0.25 . 1 . . . . . . . . 4839 1 358 . 1 1 37 37 ALA N N 15 125.15 0.25 . 1 . . . . . . . . 4839 1 359 . 1 1 38 38 ASP H H 1 8.81 0.02 . 1 . . . . . . . . 4839 1 360 . 1 1 38 38 ASP HA H 1 4.27 0.02 . 1 . . . . . . . . 4839 1 361 . 1 1 38 38 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4839 1 362 . 1 1 38 38 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4839 1 363 . 1 1 38 38 ASP C C 13 175.09 0.25 . 1 . . . . . . . . 4839 1 364 . 1 1 38 38 ASP CA C 13 57.72 0.25 . 1 . . . . . . . . 4839 1 365 . 1 1 38 38 ASP CB C 13 41.83 0.25 . 1 . . . . . . . . 4839 1 366 . 1 1 38 38 ASP N N 15 121.97 0.25 . 1 . . . . . . . . 4839 1 367 . 1 1 39 39 ILE H H 1 7.45 0.02 . 1 . . . . . . . . 4839 1 368 . 1 1 39 39 ILE HA H 1 4.57 0.02 . 1 . . . . . . . . 4839 1 369 . 1 1 39 39 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 4839 1 370 . 1 1 39 39 ILE HG12 H 1 1.31 0.02 . 1 . . . . . . . . 4839 1 371 . 1 1 39 39 ILE HG13 H 1 1.31 0.02 . 1 . . . . . . . . 4839 1 372 . 1 1 39 39 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 4839 1 373 . 1 1 39 39 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 4839 1 374 . 1 1 39 39 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 4839 1 375 . 1 1 39 39 ILE HD11 H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 376 . 1 1 39 39 ILE HD12 H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 377 . 1 1 39 39 ILE HD13 H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 378 . 1 1 39 39 ILE C C 13 176.73 0.25 . 1 . . . . . . . . 4839 1 379 . 1 1 39 39 ILE CA C 13 58.62 0.25 . 1 . . . . . . . . 4839 1 380 . 1 1 39 39 ILE CB C 13 42.70 0.25 . 1 . . . . . . . . 4839 1 381 . 1 1 39 39 ILE CG1 C 13 26.40 0.25 . 1 . . . . . . . . 4839 1 382 . 1 1 39 39 ILE CG2 C 13 18.06 0.25 . 1 . . . . . . . . 4839 1 383 . 1 1 39 39 ILE N N 15 110.72 0.25 . 1 . . . . . . . . 4839 1 384 . 1 1 40 40 THR H H 1 8.79 0.02 . 1 . . . . . . . . 4839 1 385 . 1 1 40 40 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 4839 1 386 . 1 1 40 40 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 4839 1 387 . 1 1 40 40 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 4839 1 388 . 1 1 40 40 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 4839 1 389 . 1 1 40 40 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 4839 1 390 . 1 1 40 40 THR C C 13 177.27 0.25 . 1 . . . . . . . . 4839 1 391 . 1 1 40 40 THR CA C 13 64.84 0.25 . 1 . . . . . . . . 4839 1 392 . 1 1 40 40 THR CB C 13 69.90 0.25 . 1 . . . . . . . . 4839 1 393 . 1 1 40 40 THR CG2 C 13 20.09 0.25 . 1 . . . . . . . . 4839 1 394 . 1 1 40 40 THR N N 15 123.20 0.25 . 1 . . . . . . . . 4839 1 395 . 1 1 41 41 ILE H H 1 8.74 0.02 . 1 . . . . . . . . 4839 1 396 . 1 1 41 41 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 4839 1 397 . 1 1 41 41 ILE C C 13 176.94 0.25 . 1 . . . . . . . . 4839 1 398 . 1 1 41 41 ILE CA C 13 60.23 0.25 . 1 . . . . . . . . 4839 1 399 . 1 1 41 41 ILE CB C 13 42.38 0.25 . 1 . . . . . . . . 4839 1 400 . 1 1 41 41 ILE CG1 C 13 36.68 0.25 . 9 . . . . . . . . 4839 1 401 . 1 1 41 41 ILE CG2 C 13 18.95 0.25 . 9 . . . . . . . . 4839 1 402 . 1 1 41 41 ILE N N 15 126.42 0.25 . 1 . . . . . . . . 4839 1 403 . 1 1 42 42 ILE H H 1 9.37 0.02 . 1 . . . . . . . . 4839 1 404 . 1 1 42 42 ILE HA H 1 4.49 0.02 . 1 . . . . . . . . 4839 1 405 . 1 1 42 42 ILE HB H 1 1.83 0.02 . 9 . . . . . . . . 4839 1 406 . 1 1 42 42 ILE C C 13 175.53 0.25 . 1 . . . . . . . . 4839 1 407 . 1 1 42 42 ILE CA C 13 56.70 0.25 . 1 . . . . . . . . 4839 1 408 . 1 1 42 42 ILE CB C 13 36.09 0.25 . 1 . . . . . . . . 4839 1 409 . 1 1 42 42 ILE N N 15 126.84 0.25 . 1 . . . . . . . . 4839 1 410 . 1 1 43 43 SER H H 1 8.90 0.02 . 1 . . . . . . . . 4839 1 411 . 1 1 43 43 SER HA H 1 4.78 0.02 . 1 . . . . . . . . 4839 1 412 . 1 1 43 43 SER HB2 H 1 3.68 0.02 . 2 . . . . . . . . 4839 1 413 . 1 1 43 43 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . 4839 1 414 . 1 1 43 43 SER CA C 13 57.85 0.25 . 1 . . . . . . . . 4839 1 415 . 1 1 43 43 SER CB C 13 64.44 0.25 . 1 . . . . . . . . 4839 1 416 . 1 1 43 43 SER N N 15 121.40 0.25 . 1 . . . . . . . . 4839 1 417 . 1 1 44 44 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 4839 1 418 . 1 1 44 44 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 4839 1 419 . 1 1 44 44 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4839 1 420 . 1 1 44 44 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4839 1 421 . 1 1 44 44 GLU HG2 H 1 2.05 0.02 . 1 . . . . . . . . 4839 1 422 . 1 1 44 44 GLU HG3 H 1 2.05 0.02 . 1 . . . . . . . . 4839 1 423 . 1 1 44 44 GLU C C 13 172.90 0.25 . 1 . . . . . . . . 4839 1 424 . 1 1 44 44 GLU CA C 13 59.82 0.25 . 1 . . . . . . . . 4839 1 425 . 1 1 44 44 GLU CB C 13 30.10 0.25 . 1 . . . . . . . . 4839 1 426 . 1 1 44 44 GLU CG C 13 37.27 0.25 . 1 . . . . . . . . 4839 1 427 . 1 1 44 44 GLU N N 15 125.24 0.25 . 1 . . . . . . . . 4839 1 428 . 1 1 45 45 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 4839 1 429 . 1 1 45 45 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4839 1 430 . 1 1 45 45 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4839 1 431 . 1 1 45 45 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4839 1 432 . 1 1 45 45 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4839 1 433 . 1 1 45 45 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4839 1 434 . 1 1 45 45 GLU C C 13 173.54 0.25 . 1 . . . . . . . . 4839 1 435 . 1 1 45 45 GLU CA C 13 59.06 0.25 . 1 . . . . . . . . 4839 1 436 . 1 1 45 45 GLU CB C 13 30.01 0.25 . 1 . . . . . . . . 4839 1 437 . 1 1 45 45 GLU CG C 13 36.89 0.25 . 1 . . . . . . . . 4839 1 438 . 1 1 45 45 GLU N N 15 115.90 0.25 . 1 . . . . . . . . 4839 1 439 . 1 1 46 46 ASP H H 1 7.61 0.02 . 1 . . . . . . . . 4839 1 440 . 1 1 46 46 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4839 1 441 . 1 1 46 46 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4839 1 442 . 1 1 46 46 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4839 1 443 . 1 1 46 46 ASP C C 13 175.85 0.25 . 1 . . . . . . . . 4839 1 444 . 1 1 46 46 ASP CA C 13 54.93 0.25 . 1 . . . . . . . . 4839 1 445 . 1 1 46 46 ASP CB C 13 43.27 0.25 . 1 . . . . . . . . 4839 1 446 . 1 1 46 46 ASP N N 15 117.7 0.25 . 1 . . . . . . . . 4839 1 447 . 1 1 47 47 TRP H H 1 7.58 0.02 . 1 . . . . . . . . 4839 1 448 . 1 1 47 47 TRP HA H 1 4.43 0.02 . 1 . . . . . . . . 4839 1 449 . 1 1 47 47 TRP HB2 H 1 3.15 0.02 . 1 . . . . . . . . 4839 1 450 . 1 1 47 47 TRP HB3 H 1 2.81 0.02 . 1 . . . . . . . . 4839 1 451 . 1 1 47 47 TRP HD1 H 1 6.94 0.02 . 1 . . . . . . . . 4839 1 452 . 1 1 47 47 TRP HE1 H 1 10.03 0.02 . 1 . . . . . . . . 4839 1 453 . 1 1 47 47 TRP HE3 H 1 7.54 0.02 . 1 . . . . . . . . 4839 1 454 . 1 1 47 47 TRP HZ2 H 1 7.19 0.02 . 1 . . . . . . . . 4839 1 455 . 1 1 47 47 TRP HZ3 H 1 6.89 0.02 . 1 . . . . . . . . 4839 1 456 . 1 1 47 47 TRP HH2 H 1 7.30 0.02 . 1 . . . . . . . . 4839 1 457 . 1 1 47 47 TRP C C 13 177.30 0.25 . 1 . . . . . . . . 4839 1 458 . 1 1 47 47 TRP CA C 13 54.47 0.25 . 1 . . . . . . . . 4839 1 459 . 1 1 47 47 TRP CB C 13 30.84 0.25 . 1 . . . . . . . . 4839 1 460 . 1 1 47 47 TRP N N 15 122.33 0.02 . 1 . . . . . . . . 4839 1 461 . 1 1 47 47 TRP NE1 N 15 129.60 0.25 . 1 . . . . . . . . 4839 1 462 . 1 1 48 48 PRO HA H 1 3.88 0.02 . 1 . . . . . . . . 4839 1 463 . 1 1 48 48 PRO HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4839 1 464 . 1 1 48 48 PRO HB3 H 1 1.86 0.02 . 9 . . . . . . . . 4839 1 465 . 1 1 48 48 PRO C C 13 173.00 0.25 . 1 . . . . . . . . 4839 1 466 . 1 1 48 48 PRO CA C 13 63.12 0.25 . 1 . . . . . . . . 4839 1 467 . 1 1 48 48 PRO CB C 13 31.14 0.25 . 1 . . . . . . . . 4839 1 468 . 1 1 49 49 THR H H 1 8.09 0.02 . 1 . . . . . . . . 4839 1 469 . 1 1 49 49 THR HA H 1 3.92 0.02 . 1 . . . . . . . . 4839 1 470 . 1 1 49 49 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 4839 1 471 . 1 1 49 49 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 4839 1 472 . 1 1 49 49 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 4839 1 473 . 1 1 49 49 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 4839 1 474 . 1 1 49 49 THR C C 13 175.55 0.25 . 1 . . . . . . . . 4839 1 475 . 1 1 49 49 THR CA C 13 65.11 0.25 . 1 . . . . . . . . 4839 1 476 . 1 1 49 49 THR CB C 13 69.35 0.25 . 1 . . . . . . . . 4839 1 477 . 1 1 49 49 THR CG2 C 13 22.30 0.25 . 1 . . . . . . . . 4839 1 478 . 1 1 49 49 THR N N 15 112.94 0.25 . 1 . . . . . . . . 4839 1 479 . 1 1 50 50 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 4839 1 480 . 1 1 50 50 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 4839 1 481 . 1 1 50 50 ASP HB2 H 1 3.12 0.02 . 1 . . . . . . . . 4839 1 482 . 1 1 50 50 ASP HB3 H 1 2.53 0.02 . 1 . . . . . . . . 4839 1 483 . 1 1 50 50 ASP C C 13 175.09 0.25 . 1 . . . . . . . . 4839 1 484 . 1 1 50 50 ASP CA C 13 52.91 0.25 . 1 . . . . . . . . 4839 1 485 . 1 1 50 50 ASP CB C 13 39.78 0.25 . 1 . . . . . . . . 4839 1 486 . 1 1 50 50 ASP N N 15 116.60 0.25 . 1 . . . . . . . . 4839 1 487 . 1 1 51 51 TRP H H 1 7.81 0.02 . 1 . . . . . . . . 4839 1 488 . 1 1 51 51 TRP HA H 1 5.23 0.02 . 1 . . . . . . . . 4839 1 489 . 1 1 51 51 TRP HB2 H 1 3.08 0.02 . 1 . . . . . . . . 4839 1 490 . 1 1 51 51 TRP HB3 H 1 2.99 0.02 . 1 . . . . . . . . 4839 1 491 . 1 1 51 51 TRP HD1 H 1 7.00 0.02 . 1 . . . . . . . . 4839 1 492 . 1 1 51 51 TRP HE1 H 1 9.69 0.02 . 1 . . . . . . . . 4839 1 493 . 1 1 51 51 TRP HE3 H 1 5.93 0.02 . 1 . . . . . . . . 4839 1 494 . 1 1 51 51 TRP HZ2 H 1 7.29 0.02 . 1 . . . . . . . . 4839 1 495 . 1 1 51 51 TRP HZ3 H 1 6.37 0.02 . 1 . . . . . . . . 4839 1 496 . 1 1 51 51 TRP HH2 H 1 6.92 0.02 . 1 . . . . . . . . 4839 1 497 . 1 1 51 51 TRP C C 13 174.72 0.25 . 1 . . . . . . . . 4839 1 498 . 1 1 51 51 TRP CA C 13 53.84 0.25 . 1 . . . . . . . . 4839 1 499 . 1 1 51 51 TRP CB C 13 27.27 0.25 . 1 . . . . . . . . 4839 1 500 . 1 1 51 51 TRP N N 15 123.27 0.25 . 1 . . . . . . . . 4839 1 501 . 1 1 51 51 TRP NE1 N 15 126.83 0.25 . 1 . . . . . . . . 4839 1 502 . 1 1 52 52 PRO HA H 1 4.63 0.02 . 1 . . . . . . . . 4839 1 503 . 1 1 52 52 PRO HB2 H 1 1.74 0.02 . 1 . . . . . . . . 4839 1 504 . 1 1 52 52 PRO HB3 H 1 1.74 0.02 . 1 . . . . . . . . 4839 1 505 . 1 1 52 52 PRO C C 13 173.61 0.25 . 1 . . . . . . . . 4839 1 506 . 1 1 52 52 PRO CA C 13 63.74 0.25 . 1 . . . . . . . . 4839 1 507 . 1 1 52 52 PRO CB C 13 32.97 0.25 . 1 . . . . . . . . 4839 1 508 . 1 1 53 53 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 4839 1 509 . 1 1 53 53 VAL HA H 1 5.02 0.02 . 1 . . . . . . . . 4839 1 510 . 1 1 53 53 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 4839 1 511 . 1 1 53 53 VAL HG11 H 1 0.67 0.02 . 2 . . . . . . . . 4839 1 512 . 1 1 53 53 VAL HG12 H 1 0.67 0.02 . 2 . . . . . . . . 4839 1 513 . 1 1 53 53 VAL HG13 H 1 0.67 0.02 . 2 . . . . . . . . 4839 1 514 . 1 1 53 53 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 4839 1 515 . 1 1 53 53 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 4839 1 516 . 1 1 53 53 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 4839 1 517 . 1 1 53 53 VAL C C 13 176.12 0.25 . 1 . . . . . . . . 4839 1 518 . 1 1 53 53 VAL CA C 13 59.66 0.25 . 1 . . . . . . . . 4839 1 519 . 1 1 53 53 VAL CB C 13 36.16 0.25 . 1 . . . . . . . . 4839 1 520 . 1 1 53 53 VAL CG1 C 13 22.10 0.25 . 2 . . . . . . . . 4839 1 521 . 1 1 53 53 VAL CG2 C 13 18.84 0.25 . 2 . . . . . . . . 4839 1 522 . 1 1 53 53 VAL N N 15 114.91 0.25 . 1 . . . . . . . . 4839 1 523 . 1 1 54 54 MET H H 1 9.16 0.02 . 1 . . . . . . . . 4839 1 524 . 1 1 54 54 MET HA H 1 4.72 0.02 . 1 . . . . . . . . 4839 1 525 . 1 1 54 54 MET HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4839 1 526 . 1 1 54 54 MET HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4839 1 527 . 1 1 54 54 MET HG2 H 1 2.34 0.02 . 1 . . . . . . . . 4839 1 528 . 1 1 54 54 MET HG3 H 1 2.34 0.02 . 1 . . . . . . . . 4839 1 529 . 1 1 54 54 MET C C 13 176.20 0.25 . 1 . . . . . . . . 4839 1 530 . 1 1 54 54 MET CA C 13 54.12 0.25 . 1 . . . . . . . . 4839 1 531 . 1 1 54 54 MET CB C 13 35.62 0.25 . 1 . . . . . . . . 4839 1 532 . 1 1 54 54 MET CG C 13 31.01 0.25 . 1 . . . . . . . . 4839 1 533 . 1 1 54 54 MET N N 15 119.26 0.25 . 1 . . . . . . . . 4839 1 534 . 1 1 55 55 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 4839 1 535 . 1 1 55 55 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 4839 1 536 . 1 1 55 55 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4839 1 537 . 1 1 55 55 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4839 1 538 . 1 1 55 55 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4839 1 539 . 1 1 55 55 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4839 1 540 . 1 1 55 55 GLU C C 13 175.11 0.25 . 1 . . . . . . . . 4839 1 541 . 1 1 55 55 GLU CA C 13 57.16 0.25 . 1 . . . . . . . . 4839 1 542 . 1 1 55 55 GLU CB C 13 30.35 0.25 . 1 . . . . . . . . 4839 1 543 . 1 1 55 55 GLU CG C 13 36.59 0.25 . 1 . . . . . . . . 4839 1 544 . 1 1 55 55 GLU N N 15 120.70 0.25 . 1 . . . . . . . . 4839 1 545 . 1 1 56 56 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 4839 1 546 . 1 1 56 56 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 4839 1 547 . 1 1 56 56 ALA HB1 H 1 1.21 0.02 . 1 . . . . . . . . 4839 1 548 . 1 1 56 56 ALA HB2 H 1 1.21 0.02 . 1 . . . . . . . . 4839 1 549 . 1 1 56 56 ALA HB3 H 1 1.21 0.02 . 1 . . . . . . . . 4839 1 550 . 1 1 56 56 ALA C C 13 174.59 0.25 . 1 . . . . . . . . 4839 1 551 . 1 1 56 56 ALA CA C 13 51.87 0.25 . 1 . . . . . . . . 4839 1 552 . 1 1 56 56 ALA CB C 13 20.33 0.25 . 1 . . . . . . . . 4839 1 553 . 1 1 56 56 ALA N N 15 125.13 0.25 . 1 . . . . . . . . 4839 1 554 . 1 1 57 57 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 4839 1 555 . 1 1 57 57 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4839 1 556 . 1 1 57 57 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 4839 1 557 . 1 1 57 57 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 4839 1 558 . 1 1 57 57 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 4839 1 559 . 1 1 57 57 ALA C C 13 174.02 0.25 . 1 . . . . . . . . 4839 1 560 . 1 1 57 57 ALA CA C 13 52.53 0.25 . 1 . . . . . . . . 4839 1 561 . 1 1 57 57 ALA CB C 13 19.64 0.25 . 1 . . . . . . . . 4839 1 562 . 1 1 57 57 ALA N N 15 123.23 0.25 . 1 . . . . . . . . 4839 1 563 . 1 1 58 58 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 4839 1 564 . 1 1 58 58 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 4839 1 565 . 1 1 58 58 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4839 1 566 . 1 1 58 58 ASN HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4839 1 567 . 1 1 58 58 ASN C C 13 177.35 0.25 . 1 . . . . . . . . 4839 1 568 . 1 1 58 58 ASN CA C 13 51.50 0.25 . 1 . . . . . . . . 4839 1 569 . 1 1 58 58 ASN CB C 13 39.26 0.25 . 1 . . . . . . . . 4839 1 570 . 1 1 58 58 ASN N N 15 117.75 0.25 . 1 . . . . . . . . 4839 1 571 . 1 1 59 59 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 4839 1 572 . 1 1 59 59 PRO HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4839 1 573 . 1 1 59 59 PRO HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4839 1 574 . 1 1 59 59 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 4839 1 575 . 1 1 59 59 PRO HG3 H 1 1.95 0.02 . 2 . . . . . . . . 4839 1 576 . 1 1 59 59 PRO HD2 H 1 3.75 0.02 . 1 . . . . . . . . 4839 1 577 . 1 1 59 59 PRO HD3 H 1 3.75 0.02 . 1 . . . . . . . . 4839 1 578 . 1 1 59 59 PRO C C 13 174.23 0.25 . 1 . . . . . . . . 4839 1 579 . 1 1 59 59 PRO CA C 13 63.84 0.25 . 1 . . . . . . . . 4839 1 580 . 1 1 59 59 PRO CB C 13 32.36 0.25 . 1 . . . . . . . . 4839 1 581 . 1 1 59 59 PRO CG C 13 27.38 0.25 . 1 . . . . . . . . 4839 1 582 . 1 1 59 59 PRO CD C 13 50.88 0.25 . 1 . . . . . . . . 4839 1 583 . 1 1 60 60 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 4839 1 584 . 1 1 60 60 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 4839 1 585 . 1 1 60 60 GLN HB2 H 1 2.30 0.02 . 9 . . . . . . . . 4839 1 586 . 1 1 60 60 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4839 1 587 . 1 1 60 60 GLN HG2 H 1 2.30 0.02 . 1 . . . . . . . . 4839 1 588 . 1 1 60 60 GLN HG3 H 1 2.30 0.02 . 1 . . . . . . . . 4839 1 589 . 1 1 60 60 GLN C C 13 175.01 0.25 . 1 . . . . . . . . 4839 1 590 . 1 1 60 60 GLN CA C 13 56.32 0.25 . 1 . . . . . . . . 4839 1 591 . 1 1 60 60 GLN CB C 13 29.31 0.25 . 1 . . . . . . . . 4839 1 592 . 1 1 60 60 GLN CG C 13 34.21 0.25 . 1 . . . . . . . . 4839 1 593 . 1 1 61 61 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 4839 1 594 . 1 1 61 61 ILE HA H 1 4.06 0.02 . 1 . . . . . . . . 4839 1 595 . 1 1 61 61 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 4839 1 596 . 1 1 61 61 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 4839 1 597 . 1 1 61 61 ILE HG13 H 1 1.26 0.02 . 1 . . . . . . . . 4839 1 598 . 1 1 61 61 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 4839 1 599 . 1 1 61 61 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 4839 1 600 . 1 1 61 61 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 4839 1 601 . 1 1 61 61 ILE HD11 H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 602 . 1 1 61 61 ILE HD12 H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 603 . 1 1 61 61 ILE HD13 H 1 1.04 0.02 . 1 . . . . . . . . 4839 1 604 . 1 1 61 61 ILE C C 13 175.22 0.25 . 1 . . . . . . . . 4839 1 605 . 1 1 61 61 ILE CA C 13 61.32 0.25 . 1 . . . . . . . . 4839 1 606 . 1 1 61 61 ILE CB C 13 38.77 0.25 . 1 . . . . . . . . 4839 1 607 . 1 1 61 61 ILE CG1 C 13 27.6 0.25 . 1 . . . . . . . . 4839 1 608 . 1 1 61 61 ILE CG2 C 13 17.63 0.25 . 1 . . . . . . . . 4839 1 609 . 1 1 61 61 ILE CD1 C 13 12.05 0.25 . 1 . . . . . . . . 4839 1 610 . 1 1 61 61 ILE N N 15 119.84 0.25 . 1 . . . . . . . . 4839 1 611 . 1 1 62 62 HIS H H 1 8.46 0.02 . 1 . . . . . . . . 4839 1 612 . 1 1 62 62 HIS HA H 1 4.63 0.02 . 1 . . . . . . . . 4839 1 613 . 1 1 62 62 HIS HB2 H 1 3.22 0.02 . 1 . . . . . . . . 4839 1 614 . 1 1 62 62 HIS HB3 H 1 3.08 0.02 . 1 . . . . . . . . 4839 1 615 . 1 1 62 62 HIS HD2 H 1 7.00 0.04 . 5 . . . . . . . . 4839 1 616 . 1 1 62 62 HIS HE1 H 1 7.86 0.04 . 5 . . . . . . . . 4839 1 617 . 1 1 62 62 HIS C C 13 175.80 0.25 . 1 . . . . . . . . 4839 1 618 . 1 1 62 62 HIS CA C 13 56.06 0.25 . 1 . . . . . . . . 4839 1 619 . 1 1 62 62 HIS CB C 13 29.82 0.25 . 1 . . . . . . . . 4839 1 620 . 1 1 63 63 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 4839 1 621 . 1 1 63 63 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4839 1 622 . 1 1 63 63 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 4839 1 623 . 1 1 63 63 GLY C C 13 176.91 0.25 . 1 . . . . . . . . 4839 1 624 . 1 1 63 63 GLY CA C 13 45.47 0.25 . 1 . . . . . . . . 4839 1 625 . 1 1 63 63 GLY N N 15 109.24 0.25 . 1 . . . . . . . . 4839 1 626 . 1 1 64 64 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 4839 1 627 . 1 1 64 64 ILE HA H 1 4.16 0.02 . 1 . . . . . . . . 4839 1 628 . 1 1 64 64 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4839 1 629 . 1 1 64 64 ILE HG12 H 1 1.45 0.02 . 1 . . . . . . . . 4839 1 630 . 1 1 64 64 ILE HG13 H 1 1.45 0.02 . 1 . . . . . . . . 4839 1 631 . 1 1 64 64 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4839 1 632 . 1 1 64 64 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4839 1 633 . 1 1 64 64 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4839 1 634 . 1 1 64 64 ILE HD11 H 1 1.14 0.02 . 1 . . . . . . . . 4839 1 635 . 1 1 64 64 ILE HD12 H 1 1.14 0.02 . 1 . . . . . . . . 4839 1 636 . 1 1 64 64 ILE HD13 H 1 1.14 0.02 . 1 . . . . . . . . 4839 1 637 . 1 1 64 64 ILE C C 13 174.14 0.25 . 1 . . . . . . . . 4839 1 638 . 1 1 64 64 ILE CA C 13 61.68 0.25 . 1 . . . . . . . . 4839 1 639 . 1 1 64 64 ILE CB C 13 38.90 0.25 . 1 . . . . . . . . 4839 1 640 . 1 1 64 64 ILE CG1 C 13 27.48 0.25 . 1 . . . . . . . . 4839 1 641 . 1 1 64 64 ILE CG2 C 13 17.72 0.25 . 1 . . . . . . . . 4839 1 642 . 1 1 64 64 ILE CD1 C 13 13.60 0.25 . 1 . . . . . . . . 4839 1 643 . 1 1 64 64 ILE N N 15 119.62 0.25 . 1 . . . . . . . . 4839 1 644 . 1 1 65 65 GLY H H 1 8.59 0.02 . 1 . . . . . . . . 4839 1 645 . 1 1 65 65 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 646 . 1 1 65 65 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 647 . 1 1 65 65 GLY C C 13 176.35 0.25 . 1 . . . . . . . . 4839 1 648 . 1 1 65 65 GLY CA C 13 45.57 0.25 . 1 . . . . . . . . 4839 1 649 . 1 1 65 65 GLY N N 15 112.26 0.25 . 1 . . . . . . . . 4839 1 650 . 1 1 66 66 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4839 1 651 . 1 1 66 66 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 652 . 1 1 66 66 GLY HA3 H 1 3.67 0.02 . 1 . . . . . . . . 4839 1 653 . 1 1 66 66 GLY C C 13 176.35 0.25 . 1 . . . . . . . . 4839 1 654 . 1 1 66 66 GLY CA C 13 45.57 0.25 . 1 . . . . . . . . 4839 1 655 . 1 1 66 66 GLY N N 15 107.86 0.25 . 1 . . . . . . . . 4839 1 656 . 1 1 67 67 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 4839 1 657 . 1 1 67 67 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 658 . 1 1 67 67 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 659 . 1 1 67 67 GLY C C 13 177.36 0.25 . 1 . . . . . . . . 4839 1 660 . 1 1 67 67 GLY CA C 13 45.80 0.25 . 1 . . . . . . . . 4839 1 661 . 1 1 67 67 GLY N N 15 108.13 0.25 . 1 . . . . . . . . 4839 1 662 . 1 1 68 68 ILE H H 1 7.78 0.02 . 1 . . . . . . . . 4839 1 663 . 1 1 68 68 ILE HA H 1 4.47 0.02 . 1 . . . . . . . . 4839 1 664 . 1 1 68 68 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 4839 1 665 . 1 1 68 68 ILE HG12 H 1 1.43 0.02 . 1 . . . . . . . . 4839 1 666 . 1 1 68 68 ILE HG13 H 1 1.43 0.02 . 1 . . . . . . . . 4839 1 667 . 1 1 68 68 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4839 1 668 . 1 1 68 68 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4839 1 669 . 1 1 68 68 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4839 1 670 . 1 1 68 68 ILE HD11 H 1 1.08 0.02 . 1 . . . . . . . . 4839 1 671 . 1 1 68 68 ILE HD12 H 1 1.08 0.02 . 1 . . . . . . . . 4839 1 672 . 1 1 68 68 ILE HD13 H 1 1.08 0.02 . 1 . . . . . . . . 4839 1 673 . 1 1 68 68 ILE C C 13 176.95 0.25 . 1 . . . . . . . . 4839 1 674 . 1 1 68 68 ILE CA C 13 58.86 0.25 . 1 . . . . . . . . 4839 1 675 . 1 1 68 68 ILE CB C 13 39.12 0.25 . 1 . . . . . . . . 4839 1 676 . 1 1 68 68 ILE CG1 C 13 27.16 0.25 . 1 . . . . . . . . 4839 1 677 . 1 1 68 68 ILE CG2 C 13 17.68 0.25 . 1 . . . . . . . . 4839 1 678 . 1 1 68 68 ILE N N 15 119.99 0.25 . 1 . . . . . . . . 4839 1 679 . 1 1 69 69 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 4839 1 680 . 1 1 69 69 PRO HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4839 1 681 . 1 1 69 69 PRO HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4839 1 682 . 1 1 69 69 PRO HG2 H 1 1.92 0.02 . 1 . . . . . . . . 4839 1 683 . 1 1 69 69 PRO HG3 H 1 1.92 0.02 . 1 . . . . . . . . 4839 1 684 . 1 1 69 69 PRO HD2 H 1 3.87 0.02 . 1 . . . . . . . . 4839 1 685 . 1 1 69 69 PRO HD3 H 1 3.87 0.02 . 1 . . . . . . . . 4839 1 686 . 1 1 69 69 PRO C C 13 174.88 0.25 . 1 . . . . . . . . 4839 1 687 . 1 1 69 69 PRO CA C 13 63.36 0.25 . 1 . . . . . . . . 4839 1 688 . 1 1 69 69 PRO CB C 13 32.33 0.25 . 1 . . . . . . . . 4839 1 689 . 1 1 69 69 PRO CG C 13 27.85 0.02 . 1 . . . . . . . . 4839 1 690 . 1 1 69 69 PRO CD C 13 51.11 0.02 . 1 . . . . . . . . 4839 1 691 . 1 1 70 70 MET H H 1 8.46 0.02 . 1 . . . . . . . . 4839 1 692 . 1 1 70 70 MET HA H 1 4.72 0.02 . 1 . . . . . . . . 4839 1 693 . 1 1 70 70 MET HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4839 1 694 . 1 1 70 70 MET HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4839 1 695 . 1 1 70 70 MET HG2 H 1 2.39 0.02 . 2 . . . . . . . . 4839 1 696 . 1 1 70 70 MET HG3 H 1 2.45 0.02 . 2 . . . . . . . . 4839 1 697 . 1 1 70 70 MET C C 13 176.96 0.25 . 1 . . . . . . . . 4839 1 698 . 1 1 70 70 MET CA C 13 55.15 0.25 . 1 . . . . . . . . 4839 1 699 . 1 1 70 70 MET CB C 13 35.89 0.25 . 1 . . . . . . . . 4839 1 700 . 1 1 70 70 MET CG C 13 32.15 0.25 . 1 . . . . . . . . 4839 1 701 . 1 1 70 70 MET N N 15 120.12 0.25 . 1 . . . . . . . . 4839 1 702 . 1 1 71 71 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 4839 1 703 . 1 1 71 71 ARG HA H 1 4.67 0.02 . 1 . . . . . . . . 4839 1 704 . 1 1 71 71 ARG HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4839 1 705 . 1 1 71 71 ARG HB3 H 1 1.66 0.02 . 2 . . . . . . . . 4839 1 706 . 1 1 71 71 ARG HG2 H 1 1.90 0.02 . 1 . . . . . . . . 4839 1 707 . 1 1 71 71 ARG HG3 H 1 1.90 0.02 . 1 . . . . . . . . 4839 1 708 . 1 1 71 71 ARG HD2 H 1 2.99 0.02 . 1 . . . . . . . . 4839 1 709 . 1 1 71 71 ARG HD3 H 1 2.99 0.02 . 1 . . . . . . . . 4839 1 710 . 1 1 71 71 ARG C C 13 176.15 0.25 . 1 . . . . . . . . 4839 1 711 . 1 1 71 71 ARG CA C 13 55.45 0.25 . 1 . . . . . . . . 4839 1 712 . 1 1 71 71 ARG CB C 13 33.03 0.25 . 1 . . . . . . . . 4839 1 713 . 1 1 71 71 ARG CG C 13 27.9 0.25 . 1 . . . . . . . . 4839 1 714 . 1 1 71 71 ARG N N 15 121.58 0.25 . 1 . . . . . . . . 4839 1 715 . 1 1 72 72 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 4839 1 716 . 1 1 72 72 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 4839 1 717 . 1 1 72 72 LYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4839 1 718 . 1 1 72 72 LYS HB3 H 1 1.50 0.02 . 2 . . . . . . . . 4839 1 719 . 1 1 72 72 LYS HG2 H 1 1.26 0.02 . 1 . . . . . . . . 4839 1 720 . 1 1 72 72 LYS HG3 H 1 1.26 0.02 . 1 . . . . . . . . 4839 1 721 . 1 1 72 72 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . 4839 1 722 . 1 1 72 72 LYS HD3 H 1 1.54 0.02 . 1 . . . . . . . . 4839 1 723 . 1 1 72 72 LYS HE2 H 1 2.85 0.02 . 2 . . . . . . . . 4839 1 724 . 1 1 72 72 LYS HE3 H 1 2.68 0.02 . 2 . . . . . . . . 4839 1 725 . 1 1 72 72 LYS C C 13 175.47 0.25 . 1 . . . . . . . . 4839 1 726 . 1 1 72 72 LYS CA C 13 54.84 0.25 . 1 . . . . . . . . 4839 1 727 . 1 1 72 72 LYS CB C 13 36.33 0.25 . 1 . . . . . . . . 4839 1 728 . 1 1 72 72 LYS CG C 13 24.60 0.25 . 1 . . . . . . . . 4839 1 729 . 1 1 72 72 LYS CD C 13 29.57 0.25 . 1 . . . . . . . . 4839 1 730 . 1 1 72 72 LYS CE C 13 42.80 0.25 . 1 . . . . . . . . 4839 1 731 . 1 1 72 72 LYS N N 15 118.68 0.25 . 1 . . . . . . . . 4839 1 732 . 1 1 73 73 SER H H 1 8.19 0.02 . 1 . . . . . . . . 4839 1 733 . 1 1 73 73 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 4839 1 734 . 1 1 73 73 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 4839 1 735 . 1 1 73 73 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 4839 1 736 . 1 1 73 73 SER C C 13 176.78 0.25 . 1 . . . . . . . . 4839 1 737 . 1 1 73 73 SER CA C 13 59.84 0.25 . 1 . . . . . . . . 4839 1 738 . 1 1 73 73 SER CB C 13 65.00 0.25 . 1 . . . . . . . . 4839 1 739 . 1 1 73 73 SER N N 15 114.90 0.25 . 1 . . . . . . . . 4839 1 740 . 1 1 74 74 ARG H H 1 8.58 0.02 . 1 . . . . . . . . 4839 1 741 . 1 1 74 74 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 4839 1 742 . 1 1 74 74 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4839 1 743 . 1 1 74 74 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4839 1 744 . 1 1 74 74 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 745 . 1 1 74 74 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 746 . 1 1 74 74 ARG HD2 H 1 2.95 0.02 . 1 . . . . . . . . 4839 1 747 . 1 1 74 74 ARG HD3 H 1 2.95 0.02 . 1 . . . . . . . . 4839 1 748 . 1 1 74 74 ARG C C 13 174.54 0.25 . 1 . . . . . . . . 4839 1 749 . 1 1 74 74 ARG CA C 13 58.24 0.25 . 1 . . . . . . . . 4839 1 750 . 1 1 74 74 ARG CB C 13 32.12 0.25 . 1 . . . . . . . . 4839 1 751 . 1 1 74 74 ARG CG C 13 29.67 0.25 . 9 . . . . . . . . 4839 1 752 . 1 1 74 74 ARG CD C 13 43.74 0.25 . 1 . . . . . . . . 4839 1 753 . 1 1 74 74 ARG N N 15 124.53 0.25 . 1 . . . . . . . . 4839 1 754 . 1 1 75 75 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 4839 1 755 . 1 1 75 75 ASP HA H 1 5.03 0.02 . 1 . . . . . . . . 4839 1 756 . 1 1 75 75 ASP HB2 H 1 2.57 0.02 . 9 . . . . . . . . 4839 1 757 . 1 1 75 75 ASP C C 13 175.53 0.25 . 1 . . . . . . . . 4839 1 758 . 1 1 75 75 ASP CA C 13 53.33 0.25 . 1 . . . . . . . . 4839 1 759 . 1 1 75 75 ASP CB C 13 42.65 0.25 . 1 . . . . . . . . 4839 1 760 . 1 1 75 75 ASP N N 15 114.71 0.25 . 1 . . . . . . . . 4839 1 761 . 1 1 76 76 MET H H 1 8.80 0.02 . 1 . . . . . . . . 4839 1 762 . 1 1 76 76 MET HA H 1 4.43 0.02 . 1 . . . . . . . . 4839 1 763 . 1 1 76 76 MET HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4839 1 764 . 1 1 76 76 MET HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4839 1 765 . 1 1 76 76 MET HG2 H 1 2.51 0.02 . 1 . . . . . . . . 4839 1 766 . 1 1 76 76 MET HG3 H 1 2.51 0.02 . 1 . . . . . . . . 4839 1 767 . 1 1 76 76 MET C C 13 175.99 0.25 . 1 . . . . . . . . 4839 1 768 . 1 1 76 76 MET CA C 13 57.08 0.25 . 1 . . . . . . . . 4839 1 769 . 1 1 76 76 MET CB C 13 32.73 0.25 . 1 . . . . . . . . 4839 1 770 . 1 1 76 76 MET CG C 13 32.47 0.02 . 1 . . . . . . . . 4839 1 771 . 1 1 76 76 MET N N 15 122.26 0.25 . 1 . . . . . . . . 4839 1 772 . 1 1 77 77 ILE H H 1 8.99 0.02 . 1 . . . . . . . . 4839 1 773 . 1 1 77 77 ILE HA H 1 4.66 0.02 . 1 . . . . . . . . 4839 1 774 . 1 1 77 77 ILE C C 13 176.75 0.25 . 1 . . . . . . . . 4839 1 775 . 1 1 77 77 ILE CA C 13 56.8 0.25 . 1 . . . . . . . . 4839 1 776 . 1 1 77 77 ILE CB C 13 38.70 0.25 . 1 . . . . . . . . 4839 1 777 . 1 1 77 77 ILE N N 15 131.19 0.25 . 1 . . . . . . . . 4839 1 778 . 1 1 78 78 GLU H H 1 9.13 0.02 . 1 . . . . . . . . 4839 1 779 . 1 1 78 78 GLU HA H 1 4.97 0.02 . 1 . . . . . . . . 4839 1 780 . 1 1 78 78 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4839 1 781 . 1 1 78 78 GLU HB3 H 1 1.66 0.02 . 9 . . . . . . . . 4839 1 782 . 1 1 78 78 GLU C C 13 176.04 0.25 . 1 . . . . . . . . 4839 1 783 . 1 1 78 78 GLU CA C 13 54.94 0.25 . 1 . . . . . . . . 4839 1 784 . 1 1 78 78 GLU CB C 13 31.92 0.25 . 1 . . . . . . . . 4839 1 785 . 1 1 78 78 GLU N N 15 125.53 0.25 . 1 . . . . . . . . 4839 1 786 . 1 1 79 79 LEU H H 1 9.70 0.02 . 1 . . . . . . . . 4839 1 787 . 1 1 79 79 LEU HA H 1 5.24 0.02 . 1 . . . . . . . . 4839 1 788 . 1 1 79 79 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 4839 1 789 . 1 1 79 79 LEU HB3 H 1 1.38 0.02 . 2 . . . . . . . . 4839 1 790 . 1 1 79 79 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 4839 1 791 . 1 1 79 79 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4839 1 792 . 1 1 79 79 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4839 1 793 . 1 1 79 79 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4839 1 794 . 1 1 79 79 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 4839 1 795 . 1 1 79 79 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 4839 1 796 . 1 1 79 79 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 4839 1 797 . 1 1 79 79 LEU C C 13 175.46 0.25 . 1 . . . . . . . . 4839 1 798 . 1 1 79 79 LEU CA C 13 55.40 0.25 . 1 . . . . . . . . 4839 1 799 . 1 1 79 79 LEU CB C 13 45.37 0.25 . 1 . . . . . . . . 4839 1 800 . 1 1 79 79 LEU CG C 13 27.34 0.25 . 1 . . . . . . . . 4839 1 801 . 1 1 79 79 LEU CD1 C 13 25.63 0.25 . 2 . . . . . . . . 4839 1 802 . 1 1 79 79 LEU CD2 C 13 24.08 0.25 . 2 . . . . . . . . 4839 1 803 . 1 1 79 79 LEU N N 15 132.24 0.25 . 1 . . . . . . . . 4839 1 804 . 1 1 80 80 GLY H H 1 9.40 0.02 . 1 . . . . . . . . 4839 1 805 . 1 1 80 80 GLY HA2 H 1 4.25 0.02 . 2 . . . . . . . . 4839 1 806 . 1 1 80 80 GLY HA3 H 1 3.42 0.02 . 2 . . . . . . . . 4839 1 807 . 1 1 80 80 GLY C C 13 179.29 0.25 . 1 . . . . . . . . 4839 1 808 . 1 1 80 80 GLY CA C 13 44.92 0.25 . 1 . . . . . . . . 4839 1 809 . 1 1 80 80 GLY N N 15 113.92 0.25 . 1 . . . . . . . . 4839 1 810 . 1 1 81 81 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 4839 1 811 . 1 1 81 81 VAL HA H 1 4.13 0.02 . 1 . . . . . . . . 4839 1 812 . 1 1 81 81 VAL HB H 1 1.75 0.02 . 1 . . . . . . . . 4839 1 813 . 1 1 81 81 VAL HG11 H 1 0.78 0.02 . 1 . . . . . . . . 4839 1 814 . 1 1 81 81 VAL HG12 H 1 0.78 0.02 . 1 . . . . . . . . 4839 1 815 . 1 1 81 81 VAL HG13 H 1 0.78 0.02 . 1 . . . . . . . . 4839 1 816 . 1 1 81 81 VAL HG21 H 1 0.78 0.02 . 1 . . . . . . . . 4839 1 817 . 1 1 81 81 VAL HG22 H 1 0.78 0.02 . 1 . . . . . . . . 4839 1 818 . 1 1 81 81 VAL HG23 H 1 0.78 0.02 . 1 . . . . . . . . 4839 1 819 . 1 1 81 81 VAL C C 13 176.50 0.25 . 1 . . . . . . . . 4839 1 820 . 1 1 81 81 VAL CA C 13 63.30 0.25 . 1 . . . . . . . . 4839 1 821 . 1 1 81 81 VAL CB C 13 32.97 0.25 . 1 . . . . . . . . 4839 1 822 . 1 1 81 81 VAL CG1 C 13 21.72 0.25 . 2 . . . . . . . . 4839 1 823 . 1 1 81 81 VAL CG2 C 13 22.94 0.25 . 2 . . . . . . . . 4839 1 824 . 1 1 81 81 VAL N N 15 125.01 0.25 . 1 . . . . . . . . 4839 1 825 . 1 1 82 82 ILE H H 1 8.45 0.02 . 1 . . . . . . . . 4839 1 826 . 1 1 82 82 ILE HA H 1 4.39 0.02 . 1 . . . . . . . . 4839 1 827 . 1 1 82 82 ILE C C 13 174.78 0.25 . 1 . . . . . . . . 4839 1 828 . 1 1 82 82 ILE CA C 13 60.37 0.25 . 1 . . . . . . . . 4839 1 829 . 1 1 82 82 ILE CB C 13 38.43 0.25 . 1 . . . . . . . . 4839 1 830 . 1 1 82 82 ILE N N 15 127.79 0.25 . 1 . . . . . . . . 4839 1 831 . 1 1 83 83 ASN H H 1 8.99 0.02 . 1 . . . . . . . . 4839 1 832 . 1 1 83 83 ASN HA H 1 4.74 0.02 . 1 . . . . . . . . 4839 1 833 . 1 1 83 83 ASN HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4839 1 834 . 1 1 83 83 ASN HB3 H 1 2.97 0.02 . 2 . . . . . . . . 4839 1 835 . 1 1 83 83 ASN C C 13 173.16 0.25 . 1 . . . . . . . . 4839 1 836 . 1 1 83 83 ASN CA C 13 53.46 0.25 . 1 . . . . . . . . 4839 1 837 . 1 1 83 83 ASN CB C 13 40.04 0.25 . 1 . . . . . . . . 4839 1 838 . 1 1 83 83 ASN N N 15 124.51 0.25 . 1 . . . . . . . . 4839 1 839 . 1 1 84 84 ARG H H 1 8.89 0.02 . 1 . . . . . . . . 4839 1 840 . 1 1 84 84 ARG HA H 1 4.09 0.02 . 1 . . . . . . . . 4839 1 841 . 1 1 84 84 ARG HB2 H 1 1.87 0.02 . 4 . . . . . . . . 4839 1 842 . 1 1 84 84 ARG HB3 H 1 1.87 0.02 . 4 . . . . . . . . 4839 1 843 . 1 1 84 84 ARG HG2 H 1 1.71 0.02 . 4 . . . . . . . . 4839 1 844 . 1 1 84 84 ARG HG3 H 1 1.71 0.02 . 4 . . . . . . . . 4839 1 845 . 1 1 84 84 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4839 1 846 . 1 1 84 84 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4839 1 847 . 1 1 84 84 ARG C C 13 174.17 0.25 . 1 . . . . . . . . 4839 1 848 . 1 1 84 84 ARG CA C 13 59.35 0.25 . 1 . . . . . . . . 4839 1 849 . 1 1 84 84 ARG CB C 13 29.98 0.25 . 1 . . . . . . . . 4839 1 850 . 1 1 84 84 ARG CG C 13 30.00 0.25 . 1 . . . . . . . . 4839 1 851 . 1 1 84 84 ARG CD C 13 43.59 0.25 . 1 . . . . . . . . 4839 1 852 . 1 1 84 84 ARG N N 15 120.29 .025 . 1 . . . . . . . . 4839 1 853 . 1 1 85 85 ASP H H 1 7.99 0.02 . 1 . . . . . . . . 4839 1 854 . 1 1 85 85 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 4839 1 855 . 1 1 85 85 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4839 1 856 . 1 1 85 85 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4839 1 857 . 1 1 85 85 ASP C C 13 174.08 0.25 . 1 . . . . . . . . 4839 1 858 . 1 1 85 85 ASP CA C 13 53.78 0.25 . 1 . . . . . . . . 4839 1 859 . 1 1 85 85 ASP CB C 13 40.41 0.25 . 1 . . . . . . . . 4839 1 860 . 1 1 85 85 ASP N N 15 115.67 0.25 . 1 . . . . . . . . 4839 1 861 . 1 1 86 86 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 4839 1 862 . 1 1 86 86 GLY HA2 H 1 3.46 0.02 . 1 . . . . . . . . 4839 1 863 . 1 1 86 86 GLY HA3 H 1 3.46 0.02 . 1 . . . . . . . . 4839 1 864 . 1 1 86 86 GLY C C 13 176.98 0.25 . 1 . . . . . . . . 4839 1 865 . 1 1 86 86 GLY CA C 13 45.29 0.25 . 1 . . . . . . . . 4839 1 866 . 1 1 86 86 GLY N N 15 108.41 0.02 . 1 . . . . . . . . 4839 1 867 . 1 1 87 87 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4839 1 868 . 1 1 87 87 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4839 1 869 . 1 1 87 87 SER HB2 H 1 3.82 0.02 . 1 . . . . . . . . 4839 1 870 . 1 1 87 87 SER HB3 H 1 3.82 0.02 . 1 . . . . . . . . 4839 1 871 . 1 1 87 87 SER C C 13 178.71 0.25 . 1 . . . . . . . . 4839 1 872 . 1 1 87 87 SER CA C 13 58.55 0.25 . 1 . . . . . . . . 4839 1 873 . 1 1 87 87 SER CB C 13 64.71 0.25 . 1 . . . . . . . . 4839 1 874 . 1 1 87 87 SER N N 15 116.30 0.25 . 1 . . . . . . . . 4839 1 875 . 1 1 88 88 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 4839 1 876 . 1 1 88 88 LEU HA H 1 4.82 0.02 . 1 . . . . . . . . 4839 1 877 . 1 1 88 88 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4839 1 878 . 1 1 88 88 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 4839 1 879 . 1 1 88 88 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 4839 1 880 . 1 1 88 88 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 4839 1 881 . 1 1 88 88 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 4839 1 882 . 1 1 88 88 LEU C C 13 176.83 0.25 . 1 . . . . . . . . 4839 1 883 . 1 1 88 88 LEU CA C 13 54.74 0.25 . 1 . . . . . . . . 4839 1 884 . 1 1 88 88 LEU CB C 13 43.80 0.25 . 1 . . . . . . . . 4839 1 885 . 1 1 88 88 LEU N N 15 121.05 0.25 . 1 . . . . . . . . 4839 1 886 . 1 1 91 91 PRO HA H 1 4.23 0.02 . 9 . . . . . . . . 4839 1 887 . 1 1 91 91 PRO C C 13 174.75 0.25 . 1 . . . . . . . . 4839 1 888 . 1 1 91 91 PRO CA C 13 63.32 0.25 . 1 . . . . . . . . 4839 1 889 . 1 1 91 91 PRO CB C 13 33.34 0.25 . 1 . . . . . . . . 4839 1 890 . 1 1 92 92 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4839 1 891 . 1 1 92 92 LEU HA H 1 4.69 0.02 . 1 . . . . . . . . 4839 1 892 . 1 1 92 92 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4839 1 893 . 1 1 92 92 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4839 1 894 . 1 1 92 92 LEU HD11 H 1 0.97 0.02 . 2 . . . . . . . . 4839 1 895 . 1 1 92 92 LEU HD12 H 1 0.97 0.02 . 2 . . . . . . . . 4839 1 896 . 1 1 92 92 LEU HD13 H 1 0.97 0.02 . 2 . . . . . . . . 4839 1 897 . 1 1 92 92 LEU C C 13 175.92 0.25 . 1 . . . . . . . . 4839 1 898 . 1 1 92 92 LEU CA C 13 53.60 0.25 . 1 . . . . . . . . 4839 1 899 . 1 1 92 92 LEU CB C 13 45.35 0.25 . 1 . . . . . . . . 4839 1 900 . 1 1 92 92 LEU CG C 13 27.4 0.25 . 1 . . . . . . . . 4839 1 901 . 1 1 92 92 LEU CD1 C 13 25.95 0.25 . 2 . . . . . . . . 4839 1 902 . 1 1 92 92 LEU CD2 C 13 20.0 0.25 . 9 . . . . . . . . 4839 1 903 . 1 1 92 92 LEU N N 15 121.47 0.25 . 1 . . . . . . . . 4839 1 904 . 1 1 93 93 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4839 1 905 . 1 1 93 93 LEU HA H 1 5.22 0.02 . 1 . . . . . . . . 4839 1 906 . 1 1 93 93 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4839 1 907 . 1 1 93 93 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4839 1 908 . 1 1 93 93 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4839 1 909 . 1 1 93 93 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4839 1 910 . 1 1 93 93 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4839 1 911 . 1 1 93 93 LEU C C 13 174.59 0.25 . 1 . . . . . . . . 4839 1 912 . 1 1 93 93 LEU CA C 13 54.03 0.25 . 1 . . . . . . . . 4839 1 913 . 1 1 93 93 LEU CB C 13 43.06 0.25 . 1 . . . . . . . . 4839 1 914 . 1 1 93 93 LEU N N 15 122.80 0.25 . 1 . . . . . . . . 4839 1 915 . 1 1 94 94 LEU H H 1 9.02 0.02 . 1 . . . . . . . . 4839 1 916 . 1 1 94 94 LEU HA H 1 4.64 0.02 . 1 . . . . . . . . 4839 1 917 . 1 1 94 94 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4839 1 918 . 1 1 94 94 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4839 1 919 . 1 1 94 94 LEU HG H 1 1.40 0.02 . 1 . . . . . . . . 4839 1 920 . 1 1 94 94 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 4839 1 921 . 1 1 94 94 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 4839 1 922 . 1 1 94 94 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 4839 1 923 . 1 1 94 94 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4839 1 924 . 1 1 94 94 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4839 1 925 . 1 1 94 94 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4839 1 926 . 1 1 94 94 LEU C C 13 176.97 0.25 . 1 . . . . . . . . 4839 1 927 . 1 1 94 94 LEU CA C 13 54.87 0.25 . 1 . . . . . . . . 4839 1 928 . 1 1 94 94 LEU CB C 13 45.96 0.25 . 1 . . . . . . . . 4839 1 929 . 1 1 94 94 LEU N N 15 122.45 0.25 . 1 . . . . . . . . 4839 1 930 . 1 1 95 95 PHE H H 1 8.73 0.02 . 1 . . . . . . . . 4839 1 931 . 1 1 95 95 PHE HA H 1 5.11 0.02 . 1 . . . . . . . . 4839 1 932 . 1 1 95 95 PHE HB2 H 1 3.07 0.02 . 2 . . . . . . . . 4839 1 933 . 1 1 95 95 PHE HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4839 1 934 . 1 1 95 95 PHE HD1 H 1 7.17 0.02 . 1 . . . . . . . . 4839 1 935 . 1 1 95 95 PHE HD2 H 1 7.17 0.02 . 1 . . . . . . . . 4839 1 936 . 1 1 95 95 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 4839 1 937 . 1 1 95 95 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 4839 1 938 . 1 1 95 95 PHE HZ H 1 7.37 0.02 . 1 . . . . . . . . 4839 1 939 . 1 1 95 95 PHE C C 13 174.70 0.25 . 9 . . . . . . . . 4839 1 940 . 1 1 95 95 PHE CA C 13 66.77 0.25 . 1 . . . . . . . . 4839 1 941 . 1 1 95 95 PHE CB C 13 38.71 0.25 . 1 . . . . . . . . 4839 1 942 . 1 1 95 95 PHE N N 15 119.16 0.25 . 1 . . . . . . . . 4839 1 943 . 1 1 96 96 PRO HA H 1 4.58 0.02 . 1 . . . . . . . . 4839 1 944 . 1 1 96 96 PRO C C 13 176.54 0.25 . 1 . . . . . . . . 4839 1 945 . 1 1 96 96 PRO CA C 13 62.88 0.25 . 1 . . . . . . . . 4839 1 946 . 1 1 96 96 PRO CB C 13 32.61 0.25 . 1 . . . . . . . . 4839 1 947 . 1 1 96 96 PRO CG C 13 27.39 0.25 . 1 . . . . . . . . 4839 1 948 . 1 1 97 97 ALA H H 1 7.36 0.02 . 1 . . . . . . . . 4839 1 949 . 1 1 97 97 ALA HA H 1 4.82 0.02 . 1 . . . . . . . . 4839 1 950 . 1 1 97 97 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 4839 1 951 . 1 1 97 97 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4839 1 952 . 1 1 97 97 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4839 1 953 . 1 1 97 97 ALA C C 13 175.48 0.25 . 1 . . . . . . . . 4839 1 954 . 1 1 97 97 ALA CA C 13 51.21 0.25 . 1 . . . . . . . . 4839 1 955 . 1 1 97 97 ALA CB C 13 21.08 0.25 . 1 . . . . . . . . 4839 1 956 . 1 1 97 97 ALA N N 15 120.57 0.25 . 1 . . . . . . . . 4839 1 957 . 1 1 98 98 VAL H H 1 8.02 0.02 . 1 . . . . . . . . 4839 1 958 . 1 1 98 98 VAL HA H 1 4.93 0.02 . 1 . . . . . . . . 4839 1 959 . 1 1 98 98 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 4839 1 960 . 1 1 98 98 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 4839 1 961 . 1 1 98 98 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 4839 1 962 . 1 1 98 98 VAL C C 13 174.80 0.25 . 1 . . . . . . . . 4839 1 963 . 1 1 98 98 VAL CA C 13 61.06 0.25 . 1 . . . . . . . . 4839 1 964 . 1 1 98 98 VAL CB C 13 34.93 0.25 . 1 . . . . . . . . 4839 1 965 . 1 1 98 98 VAL N N 15 119.52 0.25 . 1 . . . . . . . . 4839 1 966 . 1 1 99 99 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 4839 1 967 . 1 1 99 99 ALA HA H 1 4.77 0.02 . 1 . . . . . . . . 4839 1 968 . 1 1 99 99 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 4839 1 969 . 1 1 99 99 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 4839 1 970 . 1 1 99 99 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 4839 1 971 . 1 1 99 99 ALA C C 13 174.88 0.25 . 1 . . . . . . . . 4839 1 972 . 1 1 99 99 ALA CA C 13 50.99 0.25 . 1 . . . . . . . . 4839 1 973 . 1 1 99 99 ALA CB C 13 24.34 0.25 . 1 . . . . . . . . 4839 1 974 . 1 1 99 99 ALA N N 15 125.52 0.25 . 1 . . . . . . . . 4839 1 975 . 1 1 100 100 MET H H 1 8.96 0.02 . 1 . . . . . . . . 4839 1 976 . 1 1 100 100 MET HA H 1 4.70 0.02 . 1 . . . . . . . . 4839 1 977 . 1 1 100 100 MET HB2 H 1 2.26 0.02 . 2 . . . . . . . . 4839 1 978 . 1 1 100 100 MET HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4839 1 979 . 1 1 100 100 MET HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4839 1 980 . 1 1 100 100 MET HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4839 1 981 . 1 1 100 100 MET C C 13 176.64 0.25 . 1 . . . . . . . . 4839 1 982 . 1 1 100 100 MET CA C 13 55.52 0.25 . 1 . . . . . . . . 4839 1 983 . 1 1 100 100 MET CB C 13 30.63 0.25 . 1 . . . . . . . . 4839 1 984 . 1 1 100 100 MET CG C 13 32.64 0.25 . 1 . . . . . . . . 4839 1 985 . 1 1 100 100 MET N N 15 123.61 0.25 . 1 . . . . . . . . 4839 1 986 . 1 1 101 101 VAL H H 1 7.47 0.02 . 1 . . . . . . . . 4839 1 987 . 1 1 101 101 VAL HA H 1 4.54 0.02 . 1 . . . . . . . . 4839 1 988 . 1 1 101 101 VAL HB H 1 2.27 0.02 . 1 . . . . . . . . 4839 1 989 . 1 1 101 101 VAL HG11 H 1 0.82 0.02 . 2 . . . . . . . . 4839 1 990 . 1 1 101 101 VAL HG12 H 1 0.82 0.02 . 2 . . . . . . . . 4839 1 991 . 1 1 101 101 VAL HG13 H 1 0.82 0.02 . 2 . . . . . . . . 4839 1 992 . 1 1 101 101 VAL HG21 H 1 0.68 0.02 . 2 . . . . . . . . 4839 1 993 . 1 1 101 101 VAL HG22 H 1 0.68 0.02 . 2 . . . . . . . . 4839 1 994 . 1 1 101 101 VAL HG23 H 1 0.68 0.02 . 2 . . . . . . . . 4839 1 995 . 1 1 101 101 VAL C C 13 175.46 0.25 . 1 . . . . . . . . 4839 1 996 . 1 1 101 101 VAL CA C 13 59.36 0.02 . 1 . . . . . . . . 4839 1 997 . 1 1 101 101 VAL CB C 13 34.81 0.25 . 1 . . . . . . . . 4839 1 998 . 1 1 101 101 VAL CG1 C 13 22.62 0.25 . 2 . . . . . . . . 4839 1 999 . 1 1 101 101 VAL CG2 C 13 18.38 0.25 . 2 . . . . . . . . 4839 1 1000 . 1 1 101 101 VAL N N 15 117.28 0.25 . 1 . . . . . . . . 4839 1 1001 . 1 1 102 102 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 4839 1 1002 . 1 1 102 102 ARG HA H 1 4.20 0.02 . 1 . . . . . . . . 4839 1 1003 . 1 1 102 102 ARG HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4839 1 1004 . 1 1 102 102 ARG HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4839 1 1005 . 1 1 102 102 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 1006 . 1 1 102 102 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 1007 . 1 1 102 102 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 4839 1 1008 . 1 1 102 102 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4839 1 1009 . 1 1 102 102 ARG C C 13 174.81 0.25 . 1 . . . . . . . . 4839 1 1010 . 1 1 102 102 ARG CA C 13 57.35 0.25 . 1 . . . . . . . . 4839 1 1011 . 1 1 102 102 ARG CB C 13 29.72 0.25 . 1 . . . . . . . . 4839 1 1012 . 1 1 102 102 ARG CG C 13 27.45 0.25 . 1 . . . . . . . . 4839 1 1013 . 1 1 102 102 ARG CD C 13 43.37 0.25 . 1 . . . . . . . . 4839 1 1014 . 1 1 102 102 ARG N N 15 121.89 0.25 . 1 . . . . . . . . 4839 1 1015 . 1 1 103 103 GLY H H 1 7.80 0.02 . 1 . . . . . . . . 4839 1 1016 . 1 1 103 103 GLY HA2 H 1 4.08 0.02 . 1 . . . . . . . . 4839 1 1017 . 1 1 103 103 GLY HA3 H 1 4.08 0.02 . 1 . . . . . . . . 4839 1 1018 . 1 1 103 103 GLY C C 13 178.56 0.25 . 1 . . . . . . . . 4839 1 1019 . 1 1 103 103 GLY CA C 13 44.88 0.25 . 1 . . . . . . . . 4839 1 1020 . 1 1 103 103 GLY N N 15 109.53 0.25 . 1 . . . . . . . . 4839 1 1021 . 1 1 104 104 SER H H 1 8.92 0.02 . 1 . . . . . . . . 4839 1 1022 . 1 1 104 104 SER HA H 1 3.84 0.02 . 1 . . . . . . . . 4839 1 1023 . 1 1 104 104 SER C C 13 177.46 0.25 . 1 . . . . . . . . 4839 1 1024 . 1 1 104 104 SER CA C 13 61.28 0.25 . 1 . . . . . . . . 4839 1 1025 . 1 1 104 104 SER CB C 13 63.98 0.25 . 1 . . . . . . . . 4839 1 1026 . 1 1 104 104 SER N N 15 119.54 0.25 . 1 . . . . . . . . 4839 1 1027 . 1 1 105 105 ILE H H 1 9.41 0.02 . 1 . . . . . . . . 4839 1 1028 . 1 1 105 105 ILE HA H 1 4.78 0.02 . 1 . . . . . . . . 4839 1 1029 . 1 1 105 105 ILE HB H 1 1.67 0.02 . 1 . . . . . . . . 4839 1 1030 . 1 1 105 105 ILE HG12 H 1 1.47 0.02 . 1 . . . . . . . . 4839 1 1031 . 1 1 105 105 ILE HG13 H 1 1.47 0.02 . 1 . . . . . . . . 4839 1 1032 . 1 1 105 105 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 4839 1 1033 . 1 1 105 105 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 4839 1 1034 . 1 1 105 105 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 4839 1 1035 . 1 1 105 105 ILE C C 13 176.71 0.25 . 1 . . . . . . . . 4839 1 1036 . 1 1 105 105 ILE CA C 13 60.24 0.25 . 1 . . . . . . . . 4839 1 1037 . 1 1 105 105 ILE CB C 13 43.51 0.25 . 1 . . . . . . . . 4839 1 1038 . 1 1 105 105 ILE CG2 C 13 18.30 0.25 . 1 . . . . . . . . 4839 1 1039 . 1 1 105 105 ILE CD1 C 13 14.33 0.25 . 1 . . . . . . . . 4839 1 1040 . 1 1 105 105 ILE N N 15 123.53 0.25 . 1 . . . . . . . . 4839 1 1041 . 1 1 106 106 LEU H H 1 9.15 0.02 . 1 . . . . . . . . 4839 1 1042 . 1 1 106 106 LEU HA H 1 4.59 0.02 . 1 . . . . . . . . 4839 1 1043 . 1 1 106 106 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4839 1 1044 . 1 1 106 106 LEU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4839 1 1045 . 1 1 106 106 LEU C C 13 175.67 0.25 . 1 . . . . . . . . 4839 1 1046 . 1 1 106 106 LEU CA C 13 54.09 0.25 . 1 . . . . . . . . 4839 1 1047 . 1 1 106 106 LEU CB C 13 42.42 0.25 . 1 . . . . . . . . 4839 1 1048 . 1 1 106 106 LEU N N 15 125.27 0.25 . 1 . . . . . . . . 4839 1 1049 . 1 1 107 107 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 4839 1 1050 . 1 1 107 107 GLY HA2 H 1 3.89 0.02 . 2 . . . . . . . . 4839 1 1051 . 1 1 107 107 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 4839 1 1052 . 1 1 107 107 GLY C C 13 175.53 0.25 . 1 . . . . . . . . 4839 1 1053 . 1 1 107 107 GLY CA C 13 43.54 0.25 . 1 . . . . . . . . 4839 1 1054 . 1 1 107 107 GLY N N 15 109.25 0.02 . 1 . . . . . . . . 4839 1 1055 . 1 1 108 108 ARG H H 1 8.96 0.02 . 1 . . . . . . . . 4839 1 1056 . 1 1 108 108 ARG HA H 1 3.74 0.02 . 1 . . . . . . . . 4839 1 1057 . 1 1 108 108 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4839 1 1058 . 1 1 108 108 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4839 1 1059 . 1 1 108 108 ARG HG2 H 1 1.92 0.02 . 1 . . . . . . . . 4839 1 1060 . 1 1 108 108 ARG HG3 H 1 1.92 0.02 . 1 . . . . . . . . 4839 1 1061 . 1 1 108 108 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4839 1 1062 . 1 1 108 108 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4839 1 1063 . 1 1 108 108 ARG C C 13 174.00 0.25 . 1 . . . . . . . . 4839 1 1064 . 1 1 108 108 ARG CA C 13 60.24 0.25 . 1 . . . . . . . . 4839 1 1065 . 1 1 108 108 ARG CB C 13 31.14 0.25 . 1 . . . . . . . . 4839 1 1066 . 1 1 108 108 ARG CG C 13 28.76 0.25 . 1 . . . . . . . . 4839 1 1067 . 1 1 108 108 ARG CD C 13 43.26 0.25 . 1 . . . . . . . . 4839 1 1068 . 1 1 108 108 ARG N N 15 117.38 0.25 . 1 . . . . . . . . 4839 1 1069 . 1 1 109 109 ASP H H 1 8.07 0.02 . 1 . . . . . . . . 4839 1 1070 . 1 1 109 109 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . 4839 1 1071 . 1 1 109 109 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4839 1 1072 . 1 1 109 109 ASP HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4839 1 1073 . 1 1 109 109 ASP C C 13 172.99 0.25 . 1 . . . . . . . . 4839 1 1074 . 1 1 109 109 ASP CA C 13 56.53 0.25 . 1 . . . . . . . . 4839 1 1075 . 1 1 109 109 ASP CB C 13 38.11 0.25 . 1 . . . . . . . . 4839 1 1076 . 1 1 109 109 ASP N N 15 117.94 0.25 . 1 . . . . . . . . 4839 1 1077 . 1 1 110 110 CYS H H 1 8.29 0.02 . 1 . . . . . . . . 4839 1 1078 . 1 1 110 110 CYS HA H 1 4.45 0.02 . 1 . . . . . . . . 4839 1 1079 . 1 1 110 110 CYS HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4839 1 1080 . 1 1 110 110 CYS HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4839 1 1081 . 1 1 110 110 CYS C C 13 175.19 0.25 . 1 . . . . . . . . 4839 1 1082 . 1 1 110 110 CYS CA C 13 60.92 0.25 . 1 . . . . . . . . 4839 1 1083 . 1 1 110 110 CYS CB C 13 28.12 0.25 . 1 . . . . . . . . 4839 1 1084 . 1 1 110 110 CYS N N 15 119.76 0.25 . 1 . . . . . . . . 4839 1 1085 . 1 1 111 111 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 4839 1 1086 . 1 1 111 111 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 4839 1 1087 . 1 1 111 111 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4839 1 1088 . 1 1 111 111 LEU HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4839 1 1089 . 1 1 111 111 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4839 1 1090 . 1 1 111 111 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 4839 1 1091 . 1 1 111 111 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 4839 1 1092 . 1 1 111 111 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 4839 1 1093 . 1 1 111 111 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4839 1 1094 . 1 1 111 111 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4839 1 1095 . 1 1 111 111 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4839 1 1096 . 1 1 111 111 LEU C C 13 172.12 0.25 . 1 . . . . . . . . 4839 1 1097 . 1 1 111 111 LEU CA C 13 58.07 0.25 . 1 . . . . . . . . 4839 1 1098 . 1 1 111 111 LEU CB C 13 42.23 0.25 . 1 . . . . . . . . 4839 1 1099 . 1 1 111 111 LEU CG C 13 25.40 0.25 . 1 . . . . . . . . 4839 1 1100 . 1 1 111 111 LEU CD1 C 13 27.21 0.25 . 2 . . . . . . . . 4839 1 1101 . 1 1 111 111 LEU CD2 C 13 23.78 0.25 . 2 . . . . . . . . 4839 1 1102 . 1 1 111 111 LEU N N 15 118.61 0.25 . 1 . . . . . . . . 4839 1 1103 . 1 1 112 112 GLN H H 1 8.48 0.02 . 1 . . . . . . . . 4839 1 1104 . 1 1 112 112 GLN HA H 1 4.19 0.02 . 1 . . . . . . . . 4839 1 1105 . 1 1 112 112 GLN HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4839 1 1106 . 1 1 112 112 GLN HB3 H 1 2.13 0.02 . 2 . . . . . . . . 4839 1 1107 . 1 1 112 112 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . 4839 1 1108 . 1 1 112 112 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . 4839 1 1109 . 1 1 112 112 GLN C C 13 172.83 0.25 . 1 . . . . . . . . 4839 1 1110 . 1 1 112 112 GLN CA C 13 58.23 0.25 . 1 . . . . . . . . 4839 1 1111 . 1 1 112 112 GLN CB C 13 28.65 0.25 . 1 . . . . . . . . 4839 1 1112 . 1 1 112 112 GLN CG C 13 34.30 0.25 . 1 . . . . . . . . 4839 1 1113 . 1 1 112 112 GLN N N 15 116.57 0.25 . 1 . . . . . . . . 4839 1 1114 . 1 1 113 113 GLY H H 1 7.99 0.02 . 1 . . . . . . . . 4839 1 1115 . 1 1 113 113 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 4839 1 1116 . 1 1 113 113 GLY HA3 H 1 3.79 0.02 . 2 . . . . . . . . 4839 1 1117 . 1 1 113 113 GLY C C 13 176.21 0.25 . 1 . . . . . . . . 4839 1 1118 . 1 1 113 113 GLY CA C 13 46.47 0.25 . 1 . . . . . . . . 4839 1 1119 . 1 1 113 113 GLY N N 15 107.45 0.25 . 1 . . . . . . . . 4839 1 1120 . 1 1 114 114 LEU H H 1 7.79 0.02 . 1 . . . . . . . . 4839 1 1121 . 1 1 114 114 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4839 1 1122 . 1 1 114 114 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4839 1 1123 . 1 1 114 114 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4839 1 1124 . 1 1 114 114 LEU C C 13 173.25 0.25 . 1 . . . . . . . . 4839 1 1125 . 1 1 114 114 LEU CA C 13 55.44 0.25 . 1 . . . . . . . . 4839 1 1126 . 1 1 114 114 LEU CB C 13 43.39 0.25 . 1 . . . . . . . . 4839 1 1127 . 1 1 114 114 LEU N N 15 119.18 0.25 . 1 . . . . . . . . 4839 1 1128 . 1 1 115 115 GLY H H 1 8.10 0.02 . 1 . . . . . . . . 4839 1 1129 . 1 1 115 115 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 1130 . 1 1 115 115 GLY HA3 H 1 3.89 0.02 . 1 . . . . . . . . 4839 1 1131 . 1 1 115 115 GLY C C 13 176.27 0.25 . 1 . . . . . . . . 4839 1 1132 . 1 1 115 115 GLY CA C 13 46.49 0.25 . 1 . . . . . . . . 4839 1 1133 . 1 1 115 115 GLY N N 15 107.73 0.25 . 1 . . . . . . . . 4839 1 1134 . 1 1 116 116 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 4839 1 1135 . 1 1 116 116 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4839 1 1136 . 1 1 116 116 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4839 1 1137 . 1 1 116 116 LEU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4839 1 1138 . 1 1 116 116 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 4839 1 1139 . 1 1 116 116 LEU C C 13 173.99 0.25 . 1 . . . . . . . . 4839 1 1140 . 1 1 116 116 LEU CA C 13 55.38 0.25 . 1 . . . . . . . . 4839 1 1141 . 1 1 116 116 LEU CB C 13 42.68 0.25 . 1 . . . . . . . . 4839 1 1142 . 1 1 116 116 LEU CG C 13 27.19 0.25 . 1 . . . . . . . . 4839 1 1143 . 1 1 116 116 LEU CD1 C 13 25.50 0.25 . 2 . . . . . . . . 4839 1 1144 . 1 1 116 116 LEU CD2 C 13 23.75 0.25 . 2 . . . . . . . . 4839 1 1145 . 1 1 116 116 LEU N N 15 120.05 0.25 . 1 . . . . . . . . 4839 1 1146 . 1 1 117 117 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4839 1 1147 . 1 1 117 117 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 4839 1 1148 . 1 1 117 117 ARG HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4839 1 1149 . 1 1 117 117 ARG HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4839 1 1150 . 1 1 117 117 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 4839 1 1151 . 1 1 117 117 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 4839 1 1152 . 1 1 117 117 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 4839 1 1153 . 1 1 117 117 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 4839 1 1154 . 1 1 117 117 ARG C C 13 174.67 0.25 . 1 . . . . . . . . 4839 1 1155 . 1 1 117 117 ARG CA C 13 56.10 0.25 . 1 . . . . . . . . 4839 1 1156 . 1 1 117 117 ARG CB C 13 31.72 0.25 . 1 . . . . . . . . 4839 1 1157 . 1 1 117 117 ARG CG C 13 27.40 0.25 . 1 . . . . . . . . 4839 1 1158 . 1 1 117 117 ARG CD C 13 43.45 0.25 . 1 . . . . . . . . 4839 1 1159 . 1 1 117 117 ARG N N 15 120.85 0.25 . 1 . . . . . . . . 4839 1 1160 . 1 1 118 118 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 4839 1 1161 . 1 1 118 118 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4839 1 1162 . 1 1 118 118 LEU HB2 H 1 1.61 0.02 . 1 . . . . . . . . 4839 1 1163 . 1 1 118 118 LEU HB3 H 1 1.61 0.02 . 1 . . . . . . . . 4839 1 1164 . 1 1 118 118 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 4839 1 1165 . 1 1 118 118 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 4839 1 1166 . 1 1 118 118 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 4839 1 1167 . 1 1 118 118 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 4839 1 1168 . 1 1 118 118 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 4839 1 1169 . 1 1 118 118 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 4839 1 1170 . 1 1 118 118 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 4839 1 1171 . 1 1 118 118 LEU C C 13 173.56 0.25 . 1 . . . . . . . . 4839 1 1172 . 1 1 118 118 LEU CA C 13 56.00 0.25 . 1 . . . . . . . . 4839 1 1173 . 1 1 118 118 LEU CB C 13 42.38 0.25 . 1 . . . . . . . . 4839 1 1174 . 1 1 118 118 LEU CG C 13 27.43 0.25 . 1 . . . . . . . . 4839 1 1175 . 1 1 118 118 LEU CD1 C 13 25.63 0.25 . 2 . . . . . . . . 4839 1 1176 . 1 1 118 118 LEU CD2 C 13 23.75 0.25 . 2 . . . . . . . . 4839 1 1177 . 1 1 118 118 LEU N N 15 122.03 0.25 . 1 . . . . . . . . 4839 1 1178 . 1 1 119 119 THR H H 1 7.84 0.02 . 1 . . . . . . . . 4839 1 1179 . 1 1 119 119 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4839 1 1180 . 1 1 119 119 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 4839 1 1181 . 1 1 119 119 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4839 1 1182 . 1 1 119 119 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4839 1 1183 . 1 1 119 119 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4839 1 1184 . 1 1 119 119 THR C C 13 176.96 0.25 . 1 . . . . . . . . 4839 1 1185 . 1 1 119 119 THR CA C 13 62.32 0.25 . 1 . . . . . . . . 4839 1 1186 . 1 1 119 119 THR CB C 13 69.84 0.25 . 1 . . . . . . . . 4839 1 1187 . 1 1 119 119 THR CG2 C 13 21.92 0.25 . 1 . . . . . . . . 4839 1 1188 . 1 1 119 119 THR N N 15 110.87 0.25 . 1 . . . . . . . . 4839 1 1189 . 1 1 120 120 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 4839 1 1190 . 1 1 120 120 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 4839 1 1191 . 1 1 120 120 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 4839 1 1192 . 1 1 120 120 ASN HB3 H 1 2.69 0.02 . 2 . . . . . . . . 4839 1 1193 . 1 1 120 120 ASN HD21 H 1 6.85 0.02 . 2 . . . . . . . . 4839 1 1194 . 1 1 120 120 ASN HD22 H 1 7.58 0.02 . 2 . . . . . . . . 4839 1 1195 . 1 1 120 120 ASN C C 13 177.11 0.25 . 1 . . . . . . . . 4839 1 1196 . 1 1 120 120 ASN CA C 13 53.49 0.02 . 1 . . . . . . . . 4839 1 1197 . 1 1 120 120 ASN CB C 13 39.24 0.02 . 1 . . . . . . . . 4839 1 1198 . 1 1 120 120 ASN N N 15 119.88 0.02 . 1 . . . . . . . . 4839 1 1199 . 1 1 120 120 ASN ND2 N 15 120.07 0.25 . 1 . . . . . . . . 4839 1 1200 . 1 1 121 121 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 4839 1 1201 . 1 1 121 121 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 4839 1 1202 . 1 1 121 121 LEU HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4839 1 1203 . 1 1 121 121 LEU HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4839 1 1204 . 1 1 121 121 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4839 1 1205 . 1 1 121 121 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4839 1 1206 . 1 1 121 121 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4839 1 1207 . 1 1 121 121 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4839 1 1208 . 1 1 121 121 LEU C C 13 174.60 0.25 . 1 . . . . . . . . 4839 1 1209 . 1 1 121 121 LEU CA C 13 57.12 0.25 . 1 . . . . . . . . 4839 1 1210 . 1 1 121 121 LEU CB C 13 43.57 0.25 . 1 . . . . . . . . 4839 1 1211 . 1 1 121 121 LEU CG C 13 27.58 0.25 . 1 . . . . . . . . 4839 1 1212 . 1 1 121 121 LEU CD1 C 13 24.05 0.25 . 2 . . . . . . . . 4839 1 1213 . 1 1 121 121 LEU N N 15 126.51 0.25 . 1 . . . . . . . . 4839 1 stop_ save_