data_6342 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6342 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human survivin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-07 _Entry.Accession_date 2004-10-08 _Entry.Last_release_date 2005-03-16 _Entry.Original_release_date 2005-03-16 _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 Edward Olejniczak . T. . 6342 2 David Nettesheim . . . 6342 3 Chaohong Sun . . . 6342 4 Zhihong Liu . . . 6342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 669 6342 '13C chemical shifts' 450 6342 '15N chemical shifts' 102 6342 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 . . 2005-03-16 2004-10-07 original author . 6342 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6342 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15628841 _Citation.Full_citation . _Citation.Title 'Solution structure of human survivin and its binding interface with Smac/Diablo' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 1 _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 11 _Citation.Page_last 17 _Citation.Year 2005 _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 Chaohong Sun . . . 6342 1 2 David Nettesheim . . . 6342 1 3 Zhihong Liu . . . 6342 1 4 Edward Olejniczak . T. . 6342 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6342 1 'bir domain' 6342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_survivin _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_survivin _Assembly.Entry_ID 6342 _Assembly.ID 1 _Assembly.Name 'survivin dimer' _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 dimer 6342 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 'survivin, chain A' 1 $Survivin . . . native . . 1 . . 6342 1 2 'survivin, chain B' 1 $Survivin . . . native . . 1 . . 6342 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'survivin dimer' system 6342 1 'survivin dimer' abbreviation 6342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Survivin _Entity.Sf_category entity _Entity.Sf_framecode Survivin _Entity.Entry_ID 6342 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name survivin _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 ; MGAPTLPPAWQPFLKDHRIS TFKNWPFLEGCACTPERMAE AGFIHCPTENEPDLAQCFFC FKELEGWEPDDDPIEEHKKH SSGCAFLSVKKQFEELTLGE FLKLDRERAKNKIAKET ; _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 117 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1E31 . "Survivin Dimer H. Sapiens" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 2 no PDB 1F3H . "X-Ray Crystal Structure Of The Human Anti-Apoptotic Protein Survivin" . . . . . 100.00 142 99.15 100.00 1.29e-79 . . . . 6342 1 3 no PDB 1XOX . "Solution Structure Of Human Survivin" . . . . . 100.00 117 100.00 100.00 4.93e-79 . . . . 6342 1 4 no PDB 2QFA . "Crystal Structure Of A Survivin-Borealin-Incenp Core Complex" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 5 no PDB 2RAW . "Crystal Structure Of The Borealin-survivin Complex" . . . . . 100.00 145 100.00 100.00 7.05e-80 . . . . 6342 1 6 no PDB 2RAX . "Crystal Structure Of Borealin (20-78) Bound To Survivin (1-120)" . . . . . 100.00 123 100.00 100.00 2.91e-79 . . . . 6342 1 7 no PDB 3UEC . "Crystal Structure Of Human Survivin Bound To Histone H3 Phosphorylated On Threonine-3." . . . . . 100.00 146 100.00 100.00 8.40e-80 . . . . 6342 1 8 no PDB 3UED . "Crystal Structure Of Human Survivin Bound To Histone H3 Phosphorylated On Threonine-3 (C2 Space Group)." . . . . . 100.00 146 100.00 100.00 8.40e-80 . . . . 6342 1 9 no PDB 3UEE . "Crystal Structure Of Human Survivin K62a Mutant Bound To N-Terminal Histone H3" . . . . . 100.00 146 99.15 99.15 3.36e-79 . . . . 6342 1 10 no PDB 3UEF . "Crystal Structure Of Human Survivin Bound To Histone H3 (C2 Space Group)" . . . . . 100.00 146 100.00 100.00 8.40e-80 . . . . 6342 1 11 no PDB 3UEG . "Crystal Structure Of Human Survivin K62a Mutant" . . . . . 100.00 146 99.15 99.15 3.36e-79 . . . . 6342 1 12 no PDB 3UEH . "Crystal Structure Of Human Survivin H80a Mutant" . . . . . 100.00 146 99.15 99.15 1.16e-78 . . . . 6342 1 13 no PDB 3UEI . "Crystal Structure Of Human Survivin E65a Mutant" . . . . . 100.00 146 99.15 99.15 3.51e-79 . . . . 6342 1 14 no PDB 3UIG . "Crystal Structure Of Human Survivin In Complex With T3 Phosphorylated H3(1-15) Peptide" . . . . . 100.00 143 100.00 100.00 8.87e-80 . . . . 6342 1 15 no PDB 3UIH . "Crystal Structure Of Human Survivin In Complex With SmacDIABLO(1-15) Peptide" . . . . . 100.00 143 100.00 100.00 8.87e-80 . . . . 6342 1 16 no PDB 3UII . "Crystal Structure Of Human Survivin In Complex With H3(1-10) Peptide" . . . . . 100.00 143 100.00 100.00 8.87e-80 . . . . 6342 1 17 no PDB 3UIJ . "Crystal Structure Of Human Survivin K62yH80W MUTANT IN COMPLEX WITH SmacDIABLO(1-15) Peptide" . . . . . 100.00 143 98.29 98.29 2.50e-77 . . . . 6342 1 18 no PDB 3UIK . "Crystal Structure Of Human Survivin Mutant K62yH80W IN COMPLEX WITH H3(1-10) Peptide" . . . . . 100.00 143 98.29 98.29 2.50e-77 . . . . 6342 1 19 no PDB 4A0I . "Crystal Structure Of Survivin Bound To The N-Terminal Tail Of Hsgo1" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 20 no PDB 4A0J . "Crystal Structure Of Survivin Bound To The Phosphorylated N- Terminal Tail Of Histone H3" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 21 no PDB 4A0N . "Crystal Structure Of Survivin Bound To The Phosphorylated N- Terminal Tail Of Histone H3" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 22 no DBJ BAC22748 . "survivin [Canis lupus familiaris]" . . . . . 100.00 142 99.15 100.00 2.10e-79 . . . . 6342 1 23 no DBJ BAD11155 . "survivin-3B protein [Homo sapiens]" . . . . . 98.29 120 98.26 99.13 1.06e-76 . . . . 6342 1 24 no DBJ BAD97148 . "baculoviral IAP repeat-containing protein 5 variant [Homo sapiens]" . . . . . 100.00 142 99.15 99.15 3.01e-79 . . . . 6342 1 25 no DBJ BAE00908 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 237 99.15 99.15 1.16e-77 . . . . 6342 1 26 no DBJ BAG34858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 27 no EMBL CAG46540 . "BIRC5 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.21e-80 . . . . 6342 1 28 no EMBL CAH91231 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 29 no EMBL CAL38006 . "hypothetical protein [synthetic construct]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 30 no GB AAC51660 . "apoptosis inhibitor survivin [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 31 no GB AAD34226 . "inhibitor of apoptosis homolog [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 32 no GB AAH08718 . "Baculoviral IAP repeat-containing 5 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 33 no GB AAH34148 . "Baculoviral IAP repeat-containing 5 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 34 no GB AAH65497 . "Baculoviral IAP repeat-containing 5 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 35 no REF NP_001125727 . "baculoviral IAP repeat-containing protein 5 [Pongo abelii]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 36 no REF NP_001159 . "baculoviral IAP repeat-containing protein 5 isoform 1 [Homo sapiens]" . . . . . 100.00 142 100.00 100.00 7.87e-80 . . . . 6342 1 37 no REF NP_001233436 . "baculoviral IAP repeat-containing protein 5 [Pan troglodytes]" . . . . . 98.29 120 98.26 99.13 1.06e-76 . . . . 6342 1 38 no REF NP_001253110 . "baculoviral IAP repeat-containing protein 5 [Macaca mulatta]" . . . . . 100.00 142 100.00 100.00 1.20e-79 . . . . 6342 1 39 no REF NP_001270879 . "baculoviral IAP repeat containing 5 [Macaca fascicularis]" . . . . . 100.00 237 99.15 99.15 1.16e-77 . . . . 6342 1 40 no SP O15392 . "RecName: Full=Baculoviral IAP repeat-containing protein 5; AltName: Full=Apoptosis inhibitor 4; AltName: Full=Apoptosis inhibit" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 41 no SP Q5RAH9 . "RecName: Full=Baculoviral IAP repeat-containing protein 5; AltName: Full=Apoptosis inhibitor survivin [Pongo abelii]" . . . . . 100.00 142 100.00 100.00 7.29e-80 . . . . 6342 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID survivin common 6342 1 survivin abbreviation 6342 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 . MET . 6342 1 2 . GLY . 6342 1 3 . ALA . 6342 1 4 . PRO . 6342 1 5 . THR . 6342 1 6 . LEU . 6342 1 7 . PRO . 6342 1 8 . PRO . 6342 1 9 . ALA . 6342 1 10 . TRP . 6342 1 11 . GLN . 6342 1 12 . PRO . 6342 1 13 . PHE . 6342 1 14 . LEU . 6342 1 15 . LYS . 6342 1 16 . ASP . 6342 1 17 . HIS . 6342 1 18 . ARG . 6342 1 19 . ILE . 6342 1 20 . SER . 6342 1 21 . THR . 6342 1 22 . PHE . 6342 1 23 . LYS . 6342 1 24 . ASN . 6342 1 25 . TRP . 6342 1 26 . PRO . 6342 1 27 . PHE . 6342 1 28 . LEU . 6342 1 29 . GLU . 6342 1 30 . GLY . 6342 1 31 . CYS . 6342 1 32 . ALA . 6342 1 33 . CYS . 6342 1 34 . THR . 6342 1 35 . PRO . 6342 1 36 . GLU . 6342 1 37 . ARG . 6342 1 38 . MET . 6342 1 39 . ALA . 6342 1 40 . GLU . 6342 1 41 . ALA . 6342 1 42 . GLY . 6342 1 43 . PHE . 6342 1 44 . ILE . 6342 1 45 . HIS . 6342 1 46 . CYS . 6342 1 47 . PRO . 6342 1 48 . THR . 6342 1 49 . GLU . 6342 1 50 . ASN . 6342 1 51 . GLU . 6342 1 52 . PRO . 6342 1 53 . ASP . 6342 1 54 . LEU . 6342 1 55 . ALA . 6342 1 56 . GLN . 6342 1 57 . CYS . 6342 1 58 . PHE . 6342 1 59 . PHE . 6342 1 60 . CYS . 6342 1 61 . PHE . 6342 1 62 . LYS . 6342 1 63 . GLU . 6342 1 64 . LEU . 6342 1 65 . GLU . 6342 1 66 . GLY . 6342 1 67 . TRP . 6342 1 68 . GLU . 6342 1 69 . PRO . 6342 1 70 . ASP . 6342 1 71 . ASP . 6342 1 72 . ASP . 6342 1 73 . PRO . 6342 1 74 . ILE . 6342 1 75 . GLU . 6342 1 76 . GLU . 6342 1 77 . HIS . 6342 1 78 . LYS . 6342 1 79 . LYS . 6342 1 80 . HIS . 6342 1 81 . SER . 6342 1 82 . SER . 6342 1 83 . GLY . 6342 1 84 . CYS . 6342 1 85 . ALA . 6342 1 86 . PHE . 6342 1 87 . LEU . 6342 1 88 . SER . 6342 1 89 . VAL . 6342 1 90 . LYS . 6342 1 91 . LYS . 6342 1 92 . GLN . 6342 1 93 . PHE . 6342 1 94 . GLU . 6342 1 95 . GLU . 6342 1 96 . LEU . 6342 1 97 . THR . 6342 1 98 . LEU . 6342 1 99 . GLY . 6342 1 100 . GLU . 6342 1 101 . PHE . 6342 1 102 . LEU . 6342 1 103 . LYS . 6342 1 104 . LEU . 6342 1 105 . ASP . 6342 1 106 . ARG . 6342 1 107 . GLU . 6342 1 108 . ARG . 6342 1 109 . ALA . 6342 1 110 . LYS . 6342 1 111 . ASN . 6342 1 112 . LYS . 6342 1 113 . ILE . 6342 1 114 . ALA . 6342 1 115 . LYS . 6342 1 116 . GLU . 6342 1 117 . THR . 6342 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 . MET 1 1 6342 1 . GLY 2 2 6342 1 . ALA 3 3 6342 1 . PRO 4 4 6342 1 . THR 5 5 6342 1 . LEU 6 6 6342 1 . PRO 7 7 6342 1 . PRO 8 8 6342 1 . ALA 9 9 6342 1 . TRP 10 10 6342 1 . GLN 11 11 6342 1 . PRO 12 12 6342 1 . PHE 13 13 6342 1 . LEU 14 14 6342 1 . LYS 15 15 6342 1 . ASP 16 16 6342 1 . HIS 17 17 6342 1 . ARG 18 18 6342 1 . ILE 19 19 6342 1 . SER 20 20 6342 1 . THR 21 21 6342 1 . PHE 22 22 6342 1 . LYS 23 23 6342 1 . ASN 24 24 6342 1 . TRP 25 25 6342 1 . PRO 26 26 6342 1 . PHE 27 27 6342 1 . LEU 28 28 6342 1 . GLU 29 29 6342 1 . GLY 30 30 6342 1 . CYS 31 31 6342 1 . ALA 32 32 6342 1 . CYS 33 33 6342 1 . THR 34 34 6342 1 . PRO 35 35 6342 1 . GLU 36 36 6342 1 . ARG 37 37 6342 1 . MET 38 38 6342 1 . ALA 39 39 6342 1 . GLU 40 40 6342 1 . ALA 41 41 6342 1 . GLY 42 42 6342 1 . PHE 43 43 6342 1 . ILE 44 44 6342 1 . HIS 45 45 6342 1 . CYS 46 46 6342 1 . PRO 47 47 6342 1 . THR 48 48 6342 1 . GLU 49 49 6342 1 . ASN 50 50 6342 1 . GLU 51 51 6342 1 . PRO 52 52 6342 1 . ASP 53 53 6342 1 . LEU 54 54 6342 1 . ALA 55 55 6342 1 . GLN 56 56 6342 1 . CYS 57 57 6342 1 . PHE 58 58 6342 1 . PHE 59 59 6342 1 . CYS 60 60 6342 1 . PHE 61 61 6342 1 . LYS 62 62 6342 1 . GLU 63 63 6342 1 . LEU 64 64 6342 1 . GLU 65 65 6342 1 . GLY 66 66 6342 1 . TRP 67 67 6342 1 . GLU 68 68 6342 1 . PRO 69 69 6342 1 . ASP 70 70 6342 1 . ASP 71 71 6342 1 . ASP 72 72 6342 1 . PRO 73 73 6342 1 . ILE 74 74 6342 1 . GLU 75 75 6342 1 . GLU 76 76 6342 1 . HIS 77 77 6342 1 . LYS 78 78 6342 1 . LYS 79 79 6342 1 . HIS 80 80 6342 1 . SER 81 81 6342 1 . SER 82 82 6342 1 . GLY 83 83 6342 1 . CYS 84 84 6342 1 . ALA 85 85 6342 1 . PHE 86 86 6342 1 . LEU 87 87 6342 1 . SER 88 88 6342 1 . VAL 89 89 6342 1 . LYS 90 90 6342 1 . LYS 91 91 6342 1 . GLN 92 92 6342 1 . PHE 93 93 6342 1 . GLU 94 94 6342 1 . GLU 95 95 6342 1 . LEU 96 96 6342 1 . THR 97 97 6342 1 . LEU 98 98 6342 1 . GLY 99 99 6342 1 . GLU 100 100 6342 1 . PHE 101 101 6342 1 . LEU 102 102 6342 1 . LYS 103 103 6342 1 . LEU 104 104 6342 1 . ASP 105 105 6342 1 . ARG 106 106 6342 1 . GLU 107 107 6342 1 . ARG 108 108 6342 1 . ALA 109 109 6342 1 . LYS 110 110 6342 1 . ASN 111 111 6342 1 . LYS 112 112 6342 1 . ILE 113 113 6342 1 . ALA 114 114 6342 1 . LYS 115 115 6342 1 . GLU 116 116 6342 1 . THR 117 117 6342 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 6342 _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 $Survivin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6342 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 6342 _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 $Survivin . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6342 _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 survivin '[U-13C; U-15N; U-75% 2H]' . . 1 $Survivin . . 0.7 . . mM . . . . 6342 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6342 _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 survivin '[U-13C; U-15N]' . . 1 $Survivin . . 1.0 . . mM . . . . 6342 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6342 _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 7.5 0.1 pH 6342 1 temperature 298 . K 6342 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6342 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6342 _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_1 Bruker DRX . 500 . . . 6342 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 6342 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 6342 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 3 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 4 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 1 7 '13C, 15N edit/seperated Noesy' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6342 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 6342 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6342 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _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 6342 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CA)CB _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 6342 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(COCA)CB _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 6342 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6342 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _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 6342 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C, 15N edit/seperated 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_ #################### # 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 6342 _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 1.0 . . . . . . . . . 6342 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6342 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6342 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6342 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 $sample_1 . 6342 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 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 6342 1 2 . 1 1 2 2 GLY CA C 13 44.70 0.3 . 1 . . . . . . . . 6342 1 3 . 1 1 3 3 ALA H H 1 8.21 0.03 . 1 . . . . . . . . 6342 1 4 . 1 1 3 3 ALA HA H 1 4.60 0.03 . 1 . . . . . . . . 6342 1 5 . 1 1 3 3 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 6342 1 6 . 1 1 3 3 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 6342 1 7 . 1 1 3 3 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 6342 1 8 . 1 1 3 3 ALA CA C 13 50.40 0.3 . 1 . . . . . . . . 6342 1 9 . 1 1 3 3 ALA CB C 13 18.10 0.3 . 1 . . . . . . . . 6342 1 10 . 1 1 3 3 ALA N N 15 124.70 0.3 . 1 . . . . . . . . 6342 1 11 . 1 1 4 4 PRO HA H 1 4.53 0.03 . 1 . . . . . . . . 6342 1 12 . 1 1 4 4 PRO HB2 H 1 2.34 0.03 . 2 . . . . . . . . 6342 1 13 . 1 1 4 4 PRO HB3 H 1 1.94 0.03 . 2 . . . . . . . . 6342 1 14 . 1 1 4 4 PRO HG2 H 1 2.04 0.03 . 2 . . . . . . . . 6342 1 15 . 1 1 4 4 PRO HD2 H 1 3.82 0.03 . 2 . . . . . . . . 6342 1 16 . 1 1 4 4 PRO HD3 H 1 3.68 0.03 . 2 . . . . . . . . 6342 1 17 . 1 1 4 4 PRO CA C 13 62.90 0.3 . 1 . . . . . . . . 6342 1 18 . 1 1 4 4 PRO CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 19 . 1 1 4 4 PRO CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 20 . 1 1 4 4 PRO CD C 13 50.10 0.3 . 1 . . . . . . . . 6342 1 21 . 1 1 5 5 THR C C 13 180.375 0.3 . 1 . . . . . . . . 6342 1 22 . 1 1 5 5 THR CA C 13 61.098 0.3 . 1 . . . . . . . . 6342 1 23 . 1 1 5 5 THR CB C 13 69.287 0.3 . 1 . . . . . . . . 6342 1 24 . 1 1 5 5 THR N N 15 114.375 0.3 . 1 . . . . . . . . 6342 1 25 . 1 1 6 6 LEU H H 1 8.132 0.03 . 1 . . . . . . . . 6342 1 26 . 1 1 6 6 LEU HA H 1 4.80 0.03 . 1 . . . . . . . . 6342 1 27 . 1 1 6 6 LEU HB2 H 1 1.65 0.03 . 2 . . . . . . . . 6342 1 28 . 1 1 6 6 LEU HB3 H 1 1.60 0.03 . 2 . . . . . . . . 6342 1 29 . 1 1 6 6 LEU HG H 1 1.88 0.03 . 1 . . . . . . . . 6342 1 30 . 1 1 6 6 LEU HD11 H 1 1.16 0.03 . 2 . . . . . . . . 6342 1 31 . 1 1 6 6 LEU HD12 H 1 1.16 0.03 . 2 . . . . . . . . 6342 1 32 . 1 1 6 6 LEU HD13 H 1 1.16 0.03 . 2 . . . . . . . . 6342 1 33 . 1 1 6 6 LEU HD21 H 1 1.02 0.03 . 2 . . . . . . . . 6342 1 34 . 1 1 6 6 LEU HD22 H 1 1.02 0.03 . 2 . . . . . . . . 6342 1 35 . 1 1 6 6 LEU HD23 H 1 1.02 0.03 . 2 . . . . . . . . 6342 1 36 . 1 1 6 6 LEU CA C 13 52.20 0.3 . 1 . . . . . . . . 6342 1 37 . 1 1 6 6 LEU CB C 13 42.60 0.3 . 1 . . . . . . . . 6342 1 38 . 1 1 6 6 LEU CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 39 . 1 1 6 6 LEU CD1 C 13 24.10 0.3 . 1 . . . . . . . . 6342 1 40 . 1 1 6 6 LEU CD2 C 13 26.20 0.3 . 1 . . . . . . . . 6342 1 41 . 1 1 6 6 LEU N N 15 125.386 0.3 . 1 . . . . . . . . 6342 1 42 . 1 1 7 7 PRO HA H 1 4.57 0.03 . 1 . . . . . . . . 6342 1 43 . 1 1 7 7 PRO HB2 H 1 2.11 0.03 . 2 . . . . . . . . 6342 1 44 . 1 1 7 7 PRO HB3 H 1 1.46 0.03 . 2 . . . . . . . . 6342 1 45 . 1 1 7 7 PRO HD2 H 1 3.67 0.03 . 2 . . . . . . . . 6342 1 46 . 1 1 7 7 PRO HD3 H 1 3.36 0.03 . 2 . . . . . . . . 6342 1 47 . 1 1 7 7 PRO CA C 13 61.10 0.3 . 1 . . . . . . . . 6342 1 48 . 1 1 7 7 PRO CB C 13 30.40 0.3 . 1 . . . . . . . . 6342 1 49 . 1 1 7 7 PRO CD C 13 50.40 0.3 . 1 . . . . . . . . 6342 1 50 . 1 1 8 8 PRO HA H 1 4.08 0.03 . 1 . . . . . . . . 6342 1 51 . 1 1 8 8 PRO HB2 H 1 2.32 0.03 . 2 . . . . . . . . 6342 1 52 . 1 1 8 8 PRO HB3 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 53 . 1 1 8 8 PRO HG2 H 1 2.12 0.03 . 2 . . . . . . . . 6342 1 54 . 1 1 8 8 PRO HG3 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 55 . 1 1 8 8 PRO HD2 H 1 3.87 0.03 . 2 . . . . . . . . 6342 1 56 . 1 1 8 8 PRO HD3 H 1 3.70 0.03 . 2 . . . . . . . . 6342 1 57 . 1 1 8 8 PRO CA C 13 65.60 0.3 . 1 . . . . . . . . 6342 1 58 . 1 1 8 8 PRO CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 59 . 1 1 8 8 PRO CG C 13 27.40 0.3 . 1 . . . . . . . . 6342 1 60 . 1 1 8 8 PRO CD C 13 50.40 0.3 . 1 . . . . . . . . 6342 1 61 . 1 1 9 9 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 6342 1 62 . 1 1 9 9 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 6342 1 63 . 1 1 9 9 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 6342 1 64 . 1 1 9 9 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 6342 1 65 . 1 1 9 9 ALA CA C 13 54.30 0.3 . 1 . . . . . . . . 6342 1 66 . 1 1 9 9 ALA CB C 13 18.40 0.3 . 1 . . . . . . . . 6342 1 67 . 1 1 10 10 TRP H H 1 8.12 0.03 . 1 . . . . . . . . 6342 1 68 . 1 1 10 10 TRP HA H 1 5.33 0.03 . 1 . . . . . . . . 6342 1 69 . 1 1 10 10 TRP HB2 H 1 3.53 0.03 . 2 . . . . . . . . 6342 1 70 . 1 1 10 10 TRP HB3 H 1 3.22 0.03 . 2 . . . . . . . . 6342 1 71 . 1 1 10 10 TRP HD1 H 1 7.17 0.03 . 1 . . . . . . . . 6342 1 72 . 1 1 10 10 TRP HE1 H 1 10.50 0.03 . 1 . . . . . . . . 6342 1 73 . 1 1 10 10 TRP HE3 H 1 7.37 0.03 . 1 . . . . . . . . 6342 1 74 . 1 1 10 10 TRP HZ2 H 1 7.44 0.03 . 1 . . . . . . . . 6342 1 75 . 1 1 10 10 TRP HZ3 H 1 6.63 0.03 . 1 . . . . . . . . 6342 1 76 . 1 1 10 10 TRP HH2 H 1 6.91 0.03 . 1 . . . . . . . . 6342 1 77 . 1 1 10 10 TRP C C 13 178.28 0.3 . 1 . . . . . . . . 6342 1 78 . 1 1 10 10 TRP CA C 13 55.20 0.3 . 1 . . . . . . . . 6342 1 79 . 1 1 10 10 TRP CB C 13 31.00 0.3 . 1 . . . . . . . . 6342 1 80 . 1 1 10 10 TRP CD1 C 13 123.90 0.3 . 1 . . . . . . . . 6342 1 81 . 1 1 10 10 TRP CE3 C 13 119.40 0.3 . 1 . . . . . . . . 6342 1 82 . 1 1 10 10 TRP CZ2 C 13 114.30 0.3 . 1 . . . . . . . . 6342 1 83 . 1 1 10 10 TRP CZ3 C 13 121.50 0.3 . 1 . . . . . . . . 6342 1 84 . 1 1 10 10 TRP CH2 C 13 124.20 0.3 . 1 . . . . . . . . 6342 1 85 . 1 1 10 10 TRP N N 15 114.60 0.3 . 1 . . . . . . . . 6342 1 86 . 1 1 10 10 TRP NE1 N 15 130.10 0.3 . 1 . . . . . . . . 6342 1 87 . 1 1 11 11 GLN H H 1 7.41 0.03 . 1 . . . . . . . . 6342 1 88 . 1 1 11 11 GLN HA H 1 3.84 0.03 . 1 . . . . . . . . 6342 1 89 . 1 1 11 11 GLN HB2 H 1 1.72 0.03 . 2 . . . . . . . . 6342 1 90 . 1 1 11 11 GLN HB3 H 1 1.30 0.03 . 2 . . . . . . . . 6342 1 91 . 1 1 11 11 GLN HG2 H 1 2.34 0.03 . 2 . . . . . . . . 6342 1 92 . 1 1 11 11 GLN HG3 H 1 2.12 0.03 . 2 . . . . . . . . 6342 1 93 . 1 1 11 11 GLN HE21 H 1 7.25 0.03 . 1 . . . . . . . . 6342 1 94 . 1 1 11 11 GLN HE22 H 1 6.85 0.03 . 1 . . . . . . . . 6342 1 95 . 1 1 11 11 GLN CA C 13 60.50 0.3 . 1 . . . . . . . . 6342 1 96 . 1 1 11 11 GLN CB C 13 25.30 0.3 . 1 . . . . . . . . 6342 1 97 . 1 1 11 11 GLN CG C 13 34.20 0.3 . 1 . . . . . . . . 6342 1 98 . 1 1 11 11 GLN N N 15 119.80 0.3 . 1 . . . . . . . . 6342 1 99 . 1 1 11 11 GLN NE2 N 15 110.00 0.3 . 1 . . . . . . . . 6342 1 100 . 1 1 12 12 PRO HA H 1 3.98 0.03 . 1 . . . . . . . . 6342 1 101 . 1 1 12 12 PRO HB2 H 1 1.96 0.03 . 2 . . . . . . . . 6342 1 102 . 1 1 12 12 PRO HB3 H 1 1.39 0.03 . 2 . . . . . . . . 6342 1 103 . 1 1 12 12 PRO HG2 H 1 1.95 0.03 . 2 . . . . . . . . 6342 1 104 . 1 1 12 12 PRO HG3 H 1 1.82 0.03 . 2 . . . . . . . . 6342 1 105 . 1 1 12 12 PRO HD2 H 1 3.58 0.03 . 2 . . . . . . . . 6342 1 106 . 1 1 12 12 PRO HD3 H 1 3.38 0.03 . 2 . . . . . . . . 6342 1 107 . 1 1 12 12 PRO C C 13 180.437 0.3 . 1 . . . . . . . . 6342 1 108 . 1 1 12 12 PRO CA C 13 65.00 0.3 . 1 . . . . . . . . 6342 1 109 . 1 1 12 12 PRO CB C 13 31.00 0.3 . 1 . . . . . . . . 6342 1 110 . 1 1 12 12 PRO CG C 13 28.00 0.3 . 1 . . . . . . . . 6342 1 111 . 1 1 12 12 PRO CD C 13 50.40 0.3 . 1 . . . . . . . . 6342 1 112 . 1 1 13 13 PHE H H 1 7.56 0.03 . 1 . . . . . . . . 6342 1 113 . 1 1 13 13 PHE HA H 1 3.35 0.03 . 1 . . . . . . . . 6342 1 114 . 1 1 13 13 PHE HB2 H 1 3.09 0.03 . 2 . . . . . . . . 6342 1 115 . 1 1 13 13 PHE HB3 H 1 2.99 0.03 . 2 . . . . . . . . 6342 1 116 . 1 1 13 13 PHE HD1 H 1 7.79 0.03 . 1 . . . . . . . . 6342 1 117 . 1 1 13 13 PHE HD2 H 1 7.79 0.03 . 1 . . . . . . . . 6342 1 118 . 1 1 13 13 PHE HE1 H 1 7.67 0.03 . 1 . . . . . . . . 6342 1 119 . 1 1 13 13 PHE HE2 H 1 7.67 0.03 . 1 . . . . . . . . 6342 1 120 . 1 1 13 13 PHE HZ H 1 7.25 0.03 . 1 . . . . . . . . 6342 1 121 . 1 1 13 13 PHE CA C 13 60.20 0.3 . 1 . . . . . . . . 6342 1 122 . 1 1 13 13 PHE CB C 13 38.70 0.3 . 1 . . . . . . . . 6342 1 123 . 1 1 13 13 PHE CD1 C 13 132.50 0.3 . 1 . . . . . . . . 6342 1 124 . 1 1 13 13 PHE CD2 C 13 132.50 0.3 . 1 . . . . . . . . 6342 1 125 . 1 1 13 13 PHE CE1 C 13 131.00 0.3 . 1 . . . . . . . . 6342 1 126 . 1 1 13 13 PHE CE2 C 13 131.00 0.3 . 1 . . . . . . . . 6342 1 127 . 1 1 13 13 PHE CZ C 13 128.90 0.3 . 1 . . . . . . . . 6342 1 128 . 1 1 13 13 PHE N N 15 111.50 0.3 . 1 . . . . . . . . 6342 1 129 . 1 1 14 14 LEU H H 1 8.14 0.03 . 1 . . . . . . . . 6342 1 130 . 1 1 14 14 LEU HA H 1 4.35 0.03 . 1 . . . . . . . . 6342 1 131 . 1 1 14 14 LEU HB2 H 1 1.97 0.03 . 2 . . . . . . . . 6342 1 132 . 1 1 14 14 LEU HB3 H 1 1.63 0.03 . 2 . . . . . . . . 6342 1 133 . 1 1 14 14 LEU HG H 1 1.47 0.03 . 1 . . . . . . . . 6342 1 134 . 1 1 14 14 LEU HD11 H 1 0.88 0.03 . 2 . . . . . . . . 6342 1 135 . 1 1 14 14 LEU HD12 H 1 0.88 0.03 . 2 . . . . . . . . 6342 1 136 . 1 1 14 14 LEU HD13 H 1 0.88 0.03 . 2 . . . . . . . . 6342 1 137 . 1 1 14 14 LEU HD21 H 1 0.66 0.03 . 2 . . . . . . . . 6342 1 138 . 1 1 14 14 LEU HD22 H 1 0.66 0.03 . 2 . . . . . . . . 6342 1 139 . 1 1 14 14 LEU HD23 H 1 0.66 0.03 . 2 . . . . . . . . 6342 1 140 . 1 1 14 14 LEU C C 13 176.498 0.3 . 1 . . . . . . . . 6342 1 141 . 1 1 14 14 LEU CA C 13 53.70 0.3 . 1 . . . . . . . . 6342 1 142 . 1 1 14 14 LEU CB C 13 41.10 0.3 . 1 . . . . . . . . 6342 1 143 . 1 1 14 14 LEU CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 144 . 1 1 14 14 LEU CD1 C 13 25.30 0.3 . 1 . . . . . . . . 6342 1 145 . 1 1 14 14 LEU CD2 C 13 23.20 0.3 . 1 . . . . . . . . 6342 1 146 . 1 1 14 14 LEU N N 15 121.60 0.3 . 1 . . . . . . . . 6342 1 147 . 1 1 15 15 LYS H H 1 7.225 0.03 . 1 . . . . . . . . 6342 1 148 . 1 1 15 15 LYS HA H 1 3.52 0.03 . 1 . . . . . . . . 6342 1 149 . 1 1 15 15 LYS HB2 H 1 2.05 0.03 . 2 . . . . . . . . 6342 1 150 . 1 1 15 15 LYS HB3 H 1 1.91 0.03 . 2 . . . . . . . . 6342 1 151 . 1 1 15 15 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 6342 1 152 . 1 1 15 15 LYS HG3 H 1 1.22 0.03 . 2 . . . . . . . . 6342 1 153 . 1 1 15 15 LYS HD2 H 1 1.81 0.03 . 2 . . . . . . . . 6342 1 154 . 1 1 15 15 LYS HE2 H 1 2.91 0.03 . 1 . . . . . . . . 6342 1 155 . 1 1 15 15 LYS C C 13 176.648 0.3 . 1 . . . . . . . . 6342 1 156 . 1 1 15 15 LYS CA C 13 60.80 0.3 . 1 . . . . . . . . 6342 1 157 . 1 1 15 15 LYS CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 158 . 1 1 15 15 LYS CG C 13 25.00 0.3 . 1 . . . . . . . . 6342 1 159 . 1 1 15 15 LYS CD C 13 29.50 0.3 . 1 . . . . . . . . 6342 1 160 . 1 1 15 15 LYS CE C 13 41.70 0.3 . 1 . . . . . . . . 6342 1 161 . 1 1 15 15 LYS N N 15 118.56 0.3 . 1 . . . . . . . . 6342 1 162 . 1 1 16 16 ASP H H 1 9.05 0.03 . 1 . . . . . . . . 6342 1 163 . 1 1 16 16 ASP HA H 1 4.32 0.03 . 1 . . . . . . . . 6342 1 164 . 1 1 16 16 ASP HB2 H 1 2.63 0.03 . 2 . . . . . . . . 6342 1 165 . 1 1 16 16 ASP HB3 H 1 2.50 0.03 . 2 . . . . . . . . 6342 1 166 . 1 1 16 16 ASP C C 13 175.597 0.3 . 1 . . . . . . . . 6342 1 167 . 1 1 16 16 ASP CA C 13 57.00 0.3 . 1 . . . . . . . . 6342 1 168 . 1 1 16 16 ASP CB C 13 39.90 0.3 . 1 . . . . . . . . 6342 1 169 . 1 1 16 16 ASP N N 15 115.90 0.3 . 1 . . . . . . . . 6342 1 170 . 1 1 17 17 HIS H H 1 7.01 0.03 . 1 . . . . . . . . 6342 1 171 . 1 1 17 17 HIS HA H 1 4.25 0.03 . 1 . . . . . . . . 6342 1 172 . 1 1 17 17 HIS HB2 H 1 3.34 0.03 . 2 . . . . . . . . 6342 1 173 . 1 1 17 17 HIS HB3 H 1 3.02 0.03 . 2 . . . . . . . . 6342 1 174 . 1 1 17 17 HIS HD2 H 1 6.27 0.03 . 1 . . . . . . . . 6342 1 175 . 1 1 17 17 HIS C C 13 175.737 0.3 . 1 . . . . . . . . 6342 1 176 . 1 1 17 17 HIS CA C 13 59.30 0.3 . 1 . . . . . . . . 6342 1 177 . 1 1 17 17 HIS CB C 13 30.40 0.3 . 1 . . . . . . . . 6342 1 178 . 1 1 17 17 HIS CD2 C 13 119.40 0.3 . 1 . . . . . . . . 6342 1 179 . 1 1 17 17 HIS N N 15 118.50 0.3 . 1 . . . . . . . . 6342 1 180 . 1 1 18 18 ARG H H 1 7.73 0.03 . 1 . . . . . . . . 6342 1 181 . 1 1 18 18 ARG HA H 1 3.96 0.03 . 1 . . . . . . . . 6342 1 182 . 1 1 18 18 ARG C C 13 174.401 0.3 . 1 . . . . . . . . 6342 1 183 . 1 1 18 18 ARG CA C 13 61.10 0.3 . 1 . . . . . . . . 6342 1 184 . 1 1 18 18 ARG N N 15 118.00 0.3 . 1 . . . . . . . . 6342 1 185 . 1 1 19 19 ILE H H 1 8.85 0.03 . 1 . . . . . . . . 6342 1 186 . 1 1 19 19 ILE HA H 1 3.63 0.03 . 1 . . . . . . . . 6342 1 187 . 1 1 19 19 ILE HB H 1 1.78 0.03 . 1 . . . . . . . . 6342 1 188 . 1 1 19 19 ILE HG12 H 1 0.81 0.03 . 1 . . . . . . . . 6342 1 189 . 1 1 19 19 ILE HG13 H 1 1.59 0.03 . 2 . . . . . . . . 6342 1 190 . 1 1 19 19 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 6342 1 191 . 1 1 19 19 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 6342 1 192 . 1 1 19 19 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 6342 1 193 . 1 1 19 19 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 6342 1 194 . 1 1 19 19 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 6342 1 195 . 1 1 19 19 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 6342 1 196 . 1 1 19 19 ILE C C 13 177.869 0.3 . 1 . . . . . . . . 6342 1 197 . 1 1 19 19 ILE CA C 13 65.90 0.3 . 1 . . . . . . . . 6342 1 198 . 1 1 19 19 ILE CB C 13 37.70 0.3 . 1 . . . . . . . . 6342 1 199 . 1 1 19 19 ILE CG1 C 13 30.40 0.3 . 1 . . . . . . . . 6342 1 200 . 1 1 19 19 ILE CG2 C 13 16.60 0.3 . 1 . . . . . . . . 6342 1 201 . 1 1 19 19 ILE CD1 C 13 13.90 0.3 . 1 . . . . . . . . 6342 1 202 . 1 1 19 19 ILE N N 15 120.30 0.3 . 1 . . . . . . . . 6342 1 203 . 1 1 20 20 SER H H 1 7.47 0.03 . 1 . . . . . . . . 6342 1 204 . 1 1 20 20 SER HA H 1 4.32 0.03 . 1 . . . . . . . . 6342 1 205 . 1 1 20 20 SER HB2 H 1 4.00 0.03 . 2 . . . . . . . . 6342 1 206 . 1 1 20 20 SER C C 13 179.93 0.3 . 1 . . . . . . . . 6342 1 207 . 1 1 20 20 SER CA C 13 60.80 0.3 . 1 . . . . . . . . 6342 1 208 . 1 1 20 20 SER CB C 13 62.90 0.3 . 1 . . . . . . . . 6342 1 209 . 1 1 20 20 SER N N 15 116.70 0.3 . 1 . . . . . . . . 6342 1 210 . 1 1 21 21 THR H H 1 7.42 0.03 . 1 . . . . . . . . 6342 1 211 . 1 1 21 21 THR HA H 1 4.22 0.03 . 1 . . . . . . . . 6342 1 212 . 1 1 21 21 THR HB H 1 4.44 0.03 . 1 . . . . . . . . 6342 1 213 . 1 1 21 21 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 6342 1 214 . 1 1 21 21 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 6342 1 215 . 1 1 21 21 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 6342 1 216 . 1 1 21 21 THR C C 13 176.82 0.3 . 1 . . . . . . . . 6342 1 217 . 1 1 21 21 THR CA C 13 63.30 0.3 . 1 . . . . . . . . 6342 1 218 . 1 1 21 21 THR CB C 13 69.80 0.3 . 1 . . . . . . . . 6342 1 219 . 1 1 21 21 THR CG2 C 13 20.80 0.3 . 1 . . . . . . . . 6342 1 220 . 1 1 21 21 THR N N 15 110.50 0.3 . 1 . . . . . . . . 6342 1 221 . 1 1 22 22 PHE H H 1 7.60 0.03 . 1 . . . . . . . . 6342 1 222 . 1 1 22 22 PHE HA H 1 4.75 0.03 . 1 . . . . . . . . 6342 1 223 . 1 1 22 22 PHE HB2 H 1 3.11 0.03 . 2 . . . . . . . . 6342 1 224 . 1 1 22 22 PHE HB3 H 1 2.83 0.03 . 2 . . . . . . . . 6342 1 225 . 1 1 22 22 PHE HZ H 1 6.09 0.03 . 1 . . . . . . . . 6342 1 226 . 1 1 22 22 PHE CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 227 . 1 1 22 22 PHE CB C 13 37.211 0.3 . 1 . . . . . . . . 6342 1 228 . 1 1 22 22 PHE CZ C 13 128.90 0.3 . 1 . . . . . . . . 6342 1 229 . 1 1 22 22 PHE N N 15 120.00 0.3 . 1 . . . . . . . . 6342 1 230 . 1 1 24 24 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . 6342 1 231 . 1 1 24 24 ASN HB2 H 1 3.01 0.03 . 2 . . . . . . . . 6342 1 232 . 1 1 24 24 ASN HB3 H 1 2.81 0.03 . 2 . . . . . . . . 6342 1 233 . 1 1 24 24 ASN CA C 13 52.80 0.3 . 1 . . . . . . . . 6342 1 234 . 1 1 24 24 ASN CB C 13 37.50 0.3 . 1 . . . . . . . . 6342 1 235 . 1 1 25 25 TRP H H 1 8.15 0.03 . 1 . . . . . . . . 6342 1 236 . 1 1 25 25 TRP HB2 H 1 3.18 0.03 . 2 . . . . . . . . 6342 1 237 . 1 1 25 25 TRP HB3 H 1 3.11 0.03 . 2 . . . . . . . . 6342 1 238 . 1 1 25 25 TRP HD1 H 1 7.29 0.03 . 1 . . . . . . . . 6342 1 239 . 1 1 25 25 TRP HE1 H 1 10.59 0.03 . 1 . . . . . . . . 6342 1 240 . 1 1 25 25 TRP HE3 H 1 6.18 0.03 . 1 . . . . . . . . 6342 1 241 . 1 1 25 25 TRP HZ2 H 1 7.08 0.03 . 1 . . . . . . . . 6342 1 242 . 1 1 25 25 TRP HZ3 H 1 6.71 0.03 . 1 . . . . . . . . 6342 1 243 . 1 1 25 25 TRP HH2 H 1 6.34 0.03 . 1 . . . . . . . . 6342 1 244 . 1 1 25 25 TRP CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 245 . 1 1 25 25 TRP CD1 C 13 126.50 0.3 . 1 . . . . . . . . 6342 1 246 . 1 1 25 25 TRP CE3 C 13 118.80 0.3 . 1 . . . . . . . . 6342 1 247 . 1 1 25 25 TRP CZ2 C 13 114.30 0.3 . 1 . . . . . . . . 6342 1 248 . 1 1 25 25 TRP CZ3 C 13 122.40 0.3 . 1 . . . . . . . . 6342 1 249 . 1 1 25 25 TRP CH2 C 13 125.90 0.3 . 1 . . . . . . . . 6342 1 250 . 1 1 25 25 TRP N N 15 123.60 0.3 . 1 . . . . . . . . 6342 1 251 . 1 1 25 25 TRP NE1 N 15 130.10 0.3 . 1 . . . . . . . . 6342 1 252 . 1 1 26 26 PRO HA H 1 4.00 0.03 . 1 . . . . . . . . 6342 1 253 . 1 1 26 26 PRO HB2 H 1 1.64 0.03 . 2 . . . . . . . . 6342 1 254 . 1 1 26 26 PRO HB3 H 1 0.58 0.03 . 2 . . . . . . . . 6342 1 255 . 1 1 26 26 PRO HG2 H 1 1.14 0.03 . 2 . . . . . . . . 6342 1 256 . 1 1 26 26 PRO HG3 H 1 0.06 0.03 . 2 . . . . . . . . 6342 1 257 . 1 1 26 26 PRO HD2 H 1 3.07 0.03 . 2 . . . . . . . . 6342 1 258 . 1 1 26 26 PRO HD3 H 1 1.80 0.03 . 2 . . . . . . . . 6342 1 259 . 1 1 26 26 PRO CA C 13 63.82 0.3 . 1 . . . . . . . . 6342 1 260 . 1 1 26 26 PRO CB C 13 31.30 0.3 . 1 . . . . . . . . 6342 1 261 . 1 1 26 26 PRO CG C 13 25.60 0.3 . 1 . . . . . . . . 6342 1 262 . 1 1 26 26 PRO CD C 13 49.80 0.3 . 1 . . . . . . . . 6342 1 263 . 1 1 27 27 PHE HA H 1 4.94 0.03 . 1 . . . . . . . . 6342 1 264 . 1 1 27 27 PHE HB2 H 1 3.23 0.03 . 2 . . . . . . . . 6342 1 265 . 1 1 27 27 PHE HB3 H 1 3.16 0.03 . 2 . . . . . . . . 6342 1 266 . 1 1 27 27 PHE HD1 H 1 6.99 0.03 . 1 . . . . . . . . 6342 1 267 . 1 1 27 27 PHE HD2 H 1 6.99 0.03 . 1 . . . . . . . . 6342 1 268 . 1 1 27 27 PHE HE1 H 1 7.00 0.03 . 1 . . . . . . . . 6342 1 269 . 1 1 27 27 PHE HE2 H 1 7.00 0.03 . 1 . . . . . . . . 6342 1 270 . 1 1 27 27 PHE HZ H 1 7.15 0.03 . 1 . . . . . . . . 6342 1 271 . 1 1 27 27 PHE C C 13 180.965 0.3 . 1 . . . . . . . . 6342 1 272 . 1 1 27 27 PHE CA C 13 54.60 0.3 . 1 . . . . . . . . 6342 1 273 . 1 1 27 27 PHE CB C 13 38.10 0.3 . 1 . . . . . . . . 6342 1 274 . 1 1 27 27 PHE CD1 C 13 131.30 0.3 . 1 . . . . . . . . 6342 1 275 . 1 1 27 27 PHE CD2 C 13 131.30 0.3 . 1 . . . . . . . . 6342 1 276 . 1 1 27 27 PHE CZ C 13 129.50 0.3 . 1 . . . . . . . . 6342 1 277 . 1 1 27 27 PHE N N 15 118.00 0.3 . 1 . . . . . . . . 6342 1 278 . 1 1 28 28 LEU H H 1 8.19 0.03 . 1 . . . . . . . . 6342 1 279 . 1 1 28 28 LEU HA H 1 4.55 0.03 . 1 . . . . . . . . 6342 1 280 . 1 1 28 28 LEU HB2 H 1 1.79 0.03 . 2 . . . . . . . . 6342 1 281 . 1 1 28 28 LEU HB3 H 1 1.64 0.03 . 2 . . . . . . . . 6342 1 282 . 1 1 28 28 LEU HD11 H 1 1.00 0.03 . 2 . . . . . . . . 6342 1 283 . 1 1 28 28 LEU HD12 H 1 1.00 0.03 . 2 . . . . . . . . 6342 1 284 . 1 1 28 28 LEU HD13 H 1 1.00 0.03 . 2 . . . . . . . . 6342 1 285 . 1 1 28 28 LEU HD21 H 1 0.97 0.03 . 2 . . . . . . . . 6342 1 286 . 1 1 28 28 LEU HD22 H 1 0.97 0.03 . 2 . . . . . . . . 6342 1 287 . 1 1 28 28 LEU HD23 H 1 0.97 0.03 . 2 . . . . . . . . 6342 1 288 . 1 1 28 28 LEU C C 13 177.783 0.3 . 1 . . . . . . . . 6342 1 289 . 1 1 28 28 LEU CA C 13 54.90 0.3 . 1 . . . . . . . . 6342 1 290 . 1 1 28 28 LEU CB C 13 43.20 0.3 . 1 . . . . . . . . 6342 1 291 . 1 1 28 28 LEU CD1 C 13 25.30 0.3 . 1 . . . . . . . . 6342 1 292 . 1 1 28 28 LEU CD2 C 13 23.20 0.3 . 1 . . . . . . . . 6342 1 293 . 1 1 28 28 LEU N N 15 122.10 0.3 . 1 . . . . . . . . 6342 1 294 . 1 1 29 29 GLU H H 1 7.90 0.03 . 1 . . . . . . . . 6342 1 295 . 1 1 29 29 GLU HA H 1 4.44 0.03 . 1 . . . . . . . . 6342 1 296 . 1 1 29 29 GLU HB2 H 1 2.07 0.03 . 2 . . . . . . . . 6342 1 297 . 1 1 29 29 GLU HB3 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 298 . 1 1 29 29 GLU HG2 H 1 2.23 0.03 . 2 . . . . . . . . 6342 1 299 . 1 1 29 29 GLU C C 13 174.898 0.3 . 1 . . . . . . . . 6342 1 300 . 1 1 29 29 GLU CA C 13 56.40 0.3 . 1 . . . . . . . . 6342 1 301 . 1 1 29 29 GLU CB C 13 31.30 0.3 . 1 . . . . . . . . 6342 1 302 . 1 1 29 29 GLU CG C 13 35.40 0.3 . 1 . . . . . . . . 6342 1 303 . 1 1 29 29 GLU N N 15 116.40 0.3 . 1 . . . . . . . . 6342 1 304 . 1 1 30 30 GLY H H 1 8.949 0.03 . 1 . . . . . . . . 6342 1 305 . 1 1 30 30 GLY HA2 H 1 4.10 0.03 . 2 . . . . . . . . 6342 1 306 . 1 1 30 30 GLY HA3 H 1 3.79 0.03 . 2 . . . . . . . . 6342 1 307 . 1 1 30 30 GLY C C 13 180.551 0.3 . 1 . . . . . . . . 6342 1 308 . 1 1 30 30 GLY CA C 13 45.90 0.3 . 1 . . . . . . . . 6342 1 309 . 1 1 30 30 GLY N N 15 103.583 0.3 . 1 . . . . . . . . 6342 1 310 . 1 1 31 31 CYS H H 1 7.44 0.03 . 1 . . . . . . . . 6342 1 311 . 1 1 31 31 CYS HA H 1 4.84 0.03 . 1 . . . . . . . . 6342 1 312 . 1 1 31 31 CYS HB2 H 1 3.02 0.03 . 2 . . . . . . . . 6342 1 313 . 1 1 31 31 CYS HB3 H 1 2.97 0.03 . 2 . . . . . . . . 6342 1 314 . 1 1 31 31 CYS C C 13 181.71 0.3 . 1 . . . . . . . . 6342 1 315 . 1 1 31 31 CYS CA C 13 55.80 0.3 . 1 . . . . . . . . 6342 1 316 . 1 1 31 31 CYS CB C 13 29.50 0.3 . 1 . . . . . . . . 6342 1 317 . 1 1 31 31 CYS N N 15 114.10 0.3 . 1 . . . . . . . . 6342 1 318 . 1 1 32 32 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 6342 1 319 . 1 1 32 32 ALA HA H 1 4.43 0.03 . 1 . . . . . . . . 6342 1 320 . 1 1 32 32 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 6342 1 321 . 1 1 32 32 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 6342 1 322 . 1 1 32 32 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 6342 1 323 . 1 1 32 32 ALA C C 13 176.43 0.3 . 1 . . . . . . . . 6342 1 324 . 1 1 32 32 ALA CA C 13 53.70 0.3 . 1 . . . . . . . . 6342 1 325 . 1 1 32 32 ALA CB C 13 19.30 0.3 . 1 . . . . . . . . 6342 1 326 . 1 1 32 32 ALA N N 15 122.30 0.3 . 1 . . . . . . . . 6342 1 327 . 1 1 33 33 CYS H H 1 7.84 0.03 . 1 . . . . . . . . 6342 1 328 . 1 1 33 33 CYS HA H 1 4.53 0.03 . 1 . . . . . . . . 6342 1 329 . 1 1 33 33 CYS HB2 H 1 3.17 0.03 . 2 . . . . . . . . 6342 1 330 . 1 1 33 33 CYS HB3 H 1 3.10 0.03 . 2 . . . . . . . . 6342 1 331 . 1 1 33 33 CYS C C 13 180.696 0.3 . 1 . . . . . . . . 6342 1 332 . 1 1 33 33 CYS CA C 13 56.30 0.3 . 1 . . . . . . . . 6342 1 333 . 1 1 33 33 CYS CB C 13 25.30 0.3 . 1 . . . . . . . . 6342 1 334 . 1 1 33 33 CYS N N 15 117.40 0.3 . 1 . . . . . . . . 6342 1 335 . 1 1 34 34 THR H H 1 6.85 0.03 . 1 . . . . . . . . 6342 1 336 . 1 1 34 34 THR HA H 1 4.99 0.03 . 1 . . . . . . . . 6342 1 337 . 1 1 34 34 THR HB H 1 4.62 0.03 . 1 . . . . . . . . 6342 1 338 . 1 1 34 34 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 6342 1 339 . 1 1 34 34 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 6342 1 340 . 1 1 34 34 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 6342 1 341 . 1 1 34 34 THR CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 342 . 1 1 34 34 THR CB C 13 68.00 0.3 . 1 . . . . . . . . 6342 1 343 . 1 1 34 34 THR CG2 C 13 22.90 0.3 . 1 . . . . . . . . 6342 1 344 . 1 1 34 34 THR N N 15 108.70 0.3 . 1 . . . . . . . . 6342 1 345 . 1 1 35 35 PRO HA H 1 2.39 0.03 . 1 . . . . . . . . 6342 1 346 . 1 1 35 35 PRO HD2 H 1 4.43 0.03 . 2 . . . . . . . . 6342 1 347 . 1 1 35 35 PRO HD3 H 1 3.87 0.03 . 2 . . . . . . . . 6342 1 348 . 1 1 35 35 PRO C C 13 177.45 0.3 . 1 . . . . . . . . 6342 1 349 . 1 1 35 35 PRO CA C 13 65.30 0.3 . 1 . . . . . . . . 6342 1 350 . 1 1 35 35 PRO CD C 13 49.80 0.3 . 1 . . . . . . . . 6342 1 351 . 1 1 36 36 GLU H H 1 8.28 0.03 . 1 . . . . . . . . 6342 1 352 . 1 1 36 36 GLU HA H 1 3.64 0.03 . 1 . . . . . . . . 6342 1 353 . 1 1 36 36 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 354 . 1 1 36 36 GLU HB3 H 1 1.87 0.03 . 2 . . . . . . . . 6342 1 355 . 1 1 36 36 GLU HG2 H 1 2.21 0.03 . 2 . . . . . . . . 6342 1 356 . 1 1 36 36 GLU CA C 13 60.20 0.3 . 1 . . . . . . . . 6342 1 357 . 1 1 36 36 GLU CB C 13 28.90 0.3 . 1 . . . . . . . . 6342 1 358 . 1 1 36 36 GLU CG C 13 36.30 0.3 . 1 . . . . . . . . 6342 1 359 . 1 1 36 36 GLU N N 15 114.40 0.3 . 1 . . . . . . . . 6342 1 360 . 1 1 37 37 ARG H H 1 7.22 0.03 . 1 . . . . . . . . 6342 1 361 . 1 1 37 37 ARG HA H 1 4.06 0.03 . 1 . . . . . . . . 6342 1 362 . 1 1 37 37 ARG HB2 H 1 1.97 0.03 . 2 . . . . . . . . 6342 1 363 . 1 1 37 37 ARG HB3 H 1 1.89 0.03 . 2 . . . . . . . . 6342 1 364 . 1 1 37 37 ARG HG2 H 1 1.99 0.03 . 2 . . . . . . . . 6342 1 365 . 1 1 37 37 ARG HG3 H 1 1.64 0.03 . 2 . . . . . . . . 6342 1 366 . 1 1 37 37 ARG HD2 H 1 3.37 0.03 . 2 . . . . . . . . 6342 1 367 . 1 1 37 37 ARG C C 13 174.432 0.3 . 1 . . . . . . . . 6342 1 368 . 1 1 37 37 ARG CA C 13 58.40 0.3 . 1 . . . . . . . . 6342 1 369 . 1 1 37 37 ARG CB C 13 30.70 0.3 . 1 . . . . . . . . 6342 1 370 . 1 1 37 37 ARG CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 371 . 1 1 37 37 ARG CD C 13 42.90 0.3 . 1 . . . . . . . . 6342 1 372 . 1 1 37 37 ARG N N 15 119.00 0.3 . 1 . . . . . . . . 6342 1 373 . 1 1 38 38 MET H H 1 8.58 0.03 . 1 . . . . . . . . 6342 1 374 . 1 1 38 38 MET HA H 1 3.95 0.03 . 1 . . . . . . . . 6342 1 375 . 1 1 38 38 MET C C 13 175.768 0.3 . 1 . . . . . . . . 6342 1 376 . 1 1 38 38 MET CA C 13 56.40 0.3 . 1 . . . . . . . . 6342 1 377 . 1 1 38 38 MET CE C 13 15.40 0.3 . 1 . . . . . . . . 6342 1 378 . 1 1 38 38 MET N N 15 119.80 0.3 . 1 . . . . . . . . 6342 1 379 . 1 1 39 39 ALA H H 1 8.48 0.03 . 1 . . . . . . . . 6342 1 380 . 1 1 39 39 ALA HA H 1 4.65 0.03 . 1 . . . . . . . . 6342 1 381 . 1 1 39 39 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 6342 1 382 . 1 1 39 39 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 6342 1 383 . 1 1 39 39 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 6342 1 384 . 1 1 39 39 ALA C C 13 183.432 0.3 . 1 . . . . . . . . 6342 1 385 . 1 1 39 39 ALA CA C 13 54.60 0.3 . 1 . . . . . . . . 6342 1 386 . 1 1 39 39 ALA CB C 13 19.90 0.3 . 1 . . . . . . . . 6342 1 387 . 1 1 39 39 ALA N N 15 121.30 0.3 . 1 . . . . . . . . 6342 1 388 . 1 1 40 40 GLU H H 1 8.81 0.03 . 1 . . . . . . . . 6342 1 389 . 1 1 40 40 GLU HA H 1 4.12 0.03 . 1 . . . . . . . . 6342 1 390 . 1 1 40 40 GLU HB2 H 1 2.23 0.03 . 2 . . . . . . . . 6342 1 391 . 1 1 40 40 GLU HG2 H 1 2.43 0.03 . 2 . . . . . . . . 6342 1 392 . 1 1 40 40 GLU HG3 H 1 2.37 0.03 . 2 . . . . . . . . 6342 1 393 . 1 1 40 40 GLU CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 394 . 1 1 40 40 GLU CB C 13 29.50 0.3 . 1 . . . . . . . . 6342 1 395 . 1 1 40 40 GLU CG C 13 35.70 0.3 . 1 . . . . . . . . 6342 1 396 . 1 1 40 40 GLU N N 15 124.70 0.3 . 1 . . . . . . . . 6342 1 397 . 1 1 41 41 ALA H H 1 7.48 0.03 . 1 . . . . . . . . 6342 1 398 . 1 1 41 41 ALA HA H 1 4.48 0.03 . 1 . . . . . . . . 6342 1 399 . 1 1 41 41 ALA HB1 H 1 1.78 0.03 . 1 . . . . . . . . 6342 1 400 . 1 1 41 41 ALA HB2 H 1 1.78 0.03 . 1 . . . . . . . . 6342 1 401 . 1 1 41 41 ALA HB3 H 1 1.78 0.03 . 1 . . . . . . . . 6342 1 402 . 1 1 41 41 ALA C C 13 179.429 0.3 . 1 . . . . . . . . 6342 1 403 . 1 1 41 41 ALA CA C 13 51.90 0.3 . 1 . . . . . . . . 6342 1 404 . 1 1 41 41 ALA CB C 13 19.90 0.3 . 1 . . . . . . . . 6342 1 405 . 1 1 41 41 ALA N N 15 117.20 0.3 . 1 . . . . . . . . 6342 1 406 . 1 1 42 42 GLY H H 1 7.69 0.03 . 1 . . . . . . . . 6342 1 407 . 1 1 42 42 GLY HA2 H 1 4.27 0.03 . 2 . . . . . . . . 6342 1 408 . 1 1 42 42 GLY HA3 H 1 3.04 0.03 . 2 . . . . . . . . 6342 1 409 . 1 1 42 42 GLY CA C 13 44.40 0.3 . 1 . . . . . . . . 6342 1 410 . 1 1 42 42 GLY N N 15 102.50 0.3 . 1 . . . . . . . . 6342 1 411 . 1 1 43 43 PHE H H 1 7.99 0.03 . 1 . . . . . . . . 6342 1 412 . 1 1 43 43 PHE HA H 1 4.86 0.03 . 1 . . . . . . . . 6342 1 413 . 1 1 43 43 PHE HB2 H 1 2.77 0.03 . 2 . . . . . . . . 6342 1 414 . 1 1 43 43 PHE HB3 H 1 2.60 0.03 . 2 . . . . . . . . 6342 1 415 . 1 1 43 43 PHE HD1 H 1 7.20 0.03 . 1 . . . . . . . . 6342 1 416 . 1 1 43 43 PHE HD2 H 1 7.20 0.03 . 1 . . . . . . . . 6342 1 417 . 1 1 43 43 PHE HE1 H 1 7.28 0.03 . 1 . . . . . . . . 6342 1 418 . 1 1 43 43 PHE HE2 H 1 7.28 0.03 . 1 . . . . . . . . 6342 1 419 . 1 1 43 43 PHE HZ H 1 6.81 0.03 . 1 . . . . . . . . 6342 1 420 . 1 1 43 43 PHE C C 13 180.069 0.3 . 1 . . . . . . . . 6342 1 421 . 1 1 43 43 PHE CA C 13 59.90 0.3 . 1 . . . . . . . . 6342 1 422 . 1 1 43 43 PHE CB C 13 41.10 0.3 . 1 . . . . . . . . 6342 1 423 . 1 1 43 43 PHE CD1 C 13 131.90 0.3 . 1 . . . . . . . . 6342 1 424 . 1 1 43 43 PHE CD2 C 13 131.90 0.3 . 1 . . . . . . . . 6342 1 425 . 1 1 43 43 PHE CE1 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 426 . 1 1 43 43 PHE CE2 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 427 . 1 1 43 43 PHE CZ C 13 128.60 0.3 . 1 . . . . . . . . 6342 1 428 . 1 1 43 43 PHE N N 15 118.00 0.3 . 1 . . . . . . . . 6342 1 429 . 1 1 44 44 ILE H H 1 8.57 0.03 . 1 . . . . . . . . 6342 1 430 . 1 1 44 44 ILE HA H 1 4.25 0.03 . 1 . . . . . . . . 6342 1 431 . 1 1 44 44 ILE HB H 1 1.85 0.03 . 1 . . . . . . . . 6342 1 432 . 1 1 44 44 ILE HG12 H 1 1.22 0.03 . 1 . . . . . . . . 6342 1 433 . 1 1 44 44 ILE HG13 H 1 1.55 0.03 . 2 . . . . . . . . 6342 1 434 . 1 1 44 44 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 6342 1 435 . 1 1 44 44 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 6342 1 436 . 1 1 44 44 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 6342 1 437 . 1 1 44 44 ILE HD11 H 1 0.83 0.03 . 1 . . . . . . . . 6342 1 438 . 1 1 44 44 ILE HD12 H 1 0.83 0.03 . 1 . . . . . . . . 6342 1 439 . 1 1 44 44 ILE HD13 H 1 0.83 0.03 . 1 . . . . . . . . 6342 1 440 . 1 1 44 44 ILE C C 13 179.955 0.3 . 1 . . . . . . . . 6342 1 441 . 1 1 44 44 ILE CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 442 . 1 1 44 44 ILE CB C 13 41.10 0.3 . 1 . . . . . . . . 6342 1 443 . 1 1 44 44 ILE CG1 C 13 26.20 0.3 . 1 . . . . . . . . 6342 1 444 . 1 1 44 44 ILE CG2 C 13 18.70 0.3 . 1 . . . . . . . . 6342 1 445 . 1 1 44 44 ILE CD1 C 13 13.60 0.3 . 1 . . . . . . . . 6342 1 446 . 1 1 44 44 ILE N N 15 110.80 0.3 . 1 . . . . . . . . 6342 1 447 . 1 1 45 45 HIS H H 1 7.32 0.03 . 1 . . . . . . . . 6342 1 448 . 1 1 45 45 HIS HA H 1 4.34 0.03 . 1 . . . . . . . . 6342 1 449 . 1 1 45 45 HIS HB2 H 1 2.83 0.03 . 2 . . . . . . . . 6342 1 450 . 1 1 45 45 HIS HB3 H 1 0.70 0.03 . 2 . . . . . . . . 6342 1 451 . 1 1 45 45 HIS HD2 H 1 7.60 0.03 . 1 . . . . . . . . 6342 1 452 . 1 1 45 45 HIS HE1 H 1 8.07 0.03 . 1 . . . . . . . . 6342 1 453 . 1 1 45 45 HIS C C 13 179.329 0.3 . 1 . . . . . . . . 6342 1 454 . 1 1 45 45 HIS CA C 13 53.40 0.3 . 1 . . . . . . . . 6342 1 455 . 1 1 45 45 HIS CB C 13 31.60 0.3 . 1 . . . . . . . . 6342 1 456 . 1 1 45 45 HIS CD2 C 13 115.80 0.3 . 1 . . . . . . . . 6342 1 457 . 1 1 45 45 HIS CE1 C 13 138.80 0.3 . 1 . . . . . . . . 6342 1 458 . 1 1 45 45 HIS N N 15 125.20 0.3 . 1 . . . . . . . . 6342 1 459 . 1 1 46 46 CYS H H 1 8.90 0.03 . 1 . . . . . . . . 6342 1 460 . 1 1 46 46 CYS HA H 1 4.81 0.03 . 1 . . . . . . . . 6342 1 461 . 1 1 46 46 CYS HB2 H 1 2.74 0.03 . 2 . . . . . . . . 6342 1 462 . 1 1 46 46 CYS HB3 H 1 2.60 0.03 . 2 . . . . . . . . 6342 1 463 . 1 1 46 46 CYS CA C 13 54.00 0.3 . 1 . . . . . . . . 6342 1 464 . 1 1 46 46 CYS CB C 13 28.00 0.3 . 1 . . . . . . . . 6342 1 465 . 1 1 46 46 CYS N N 15 126.50 0.3 . 1 . . . . . . . . 6342 1 466 . 1 1 47 47 PRO HA H 1 4.54 0.03 . 1 . . . . . . . . 6342 1 467 . 1 1 47 47 PRO C C 13 176.844 0.3 . 1 . . . . . . . . 6342 1 468 . 1 1 48 48 THR H H 1 7.58 0.03 . 1 . . . . . . . . 6342 1 469 . 1 1 48 48 THR HA H 1 4.63 0.03 . 1 . . . . . . . . 6342 1 470 . 1 1 48 48 THR HB H 1 4.57 0.03 . 1 . . . . . . . . 6342 1 471 . 1 1 48 48 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 6342 1 472 . 1 1 48 48 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 6342 1 473 . 1 1 48 48 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 6342 1 474 . 1 1 48 48 THR CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 475 . 1 1 48 48 THR CB C 13 71.60 0.3 . 1 . . . . . . . . 6342 1 476 . 1 1 48 48 THR CG2 C 13 21.60 0.3 . 1 . . . . . . . . 6342 1 477 . 1 1 48 48 THR N N 15 110.24 0.3 . 1 . . . . . . . . 6342 1 478 . 1 1 49 49 GLU HA H 1 3.96 0.03 . 1 . . . . . . . . 6342 1 479 . 1 1 49 49 GLU C C 13 177.119 0.3 . 1 . . . . . . . . 6342 1 480 . 1 1 50 50 ASN H H 1 8.06 0.03 . 1 . . . . . . . . 6342 1 481 . 1 1 50 50 ASN HA H 1 4.74 0.03 . 1 . . . . . . . . 6342 1 482 . 1 1 50 50 ASN HB2 H 1 2.83 0.03 . 2 . . . . . . . . 6342 1 483 . 1 1 50 50 ASN HB3 H 1 2.65 0.03 . 2 . . . . . . . . 6342 1 484 . 1 1 50 50 ASN C C 13 179.64 0.3 . 1 . . . . . . . . 6342 1 485 . 1 1 50 50 ASN CA C 13 53.50 0.3 . 1 . . . . . . . . 6342 1 486 . 1 1 50 50 ASN CB C 13 39.30 0.3 . 1 . . . . . . . . 6342 1 487 . 1 1 50 50 ASN N N 15 112.80 0.3 . 1 . . . . . . . . 6342 1 488 . 1 1 51 51 GLU H H 1 7.86 0.03 . 1 . . . . . . . . 6342 1 489 . 1 1 51 51 GLU HA H 1 5.03 0.03 . 1 . . . . . . . . 6342 1 490 . 1 1 51 51 GLU HB2 H 1 2.53 0.03 . 2 . . . . . . . . 6342 1 491 . 1 1 51 51 GLU HB3 H 1 1.79 0.03 . 2 . . . . . . . . 6342 1 492 . 1 1 51 51 GLU HG2 H 1 2.33 0.03 . 2 . . . . . . . . 6342 1 493 . 1 1 51 51 GLU HG3 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 494 . 1 1 51 51 GLU CA C 13 53.40 0.3 . 1 . . . . . . . . 6342 1 495 . 1 1 51 51 GLU CB C 13 29.50 0.3 . 1 . . . . . . . . 6342 1 496 . 1 1 51 51 GLU CG C 13 35.10 0.3 . 1 . . . . . . . . 6342 1 497 . 1 1 51 51 GLU N N 15 118.70 0.3 . 1 . . . . . . . . 6342 1 498 . 1 1 52 52 PRO HA H 1 4.61 0.03 . 1 . . . . . . . . 6342 1 499 . 1 1 52 52 PRO HB2 H 1 2.46 0.03 . 2 . . . . . . . . 6342 1 500 . 1 1 52 52 PRO HB3 H 1 2.01 0.03 . 2 . . . . . . . . 6342 1 501 . 1 1 52 52 PRO HG2 H 1 1.98 0.03 . 2 . . . . . . . . 6342 1 502 . 1 1 52 52 PRO HD2 H 1 3.82 0.03 . 2 . . . . . . . . 6342 1 503 . 1 1 52 52 PRO HD3 H 1 3.36 0.03 . 2 . . . . . . . . 6342 1 504 . 1 1 52 52 PRO CA C 13 64.40 0.3 . 1 . . . . . . . . 6342 1 505 . 1 1 52 52 PRO CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 506 . 1 1 52 52 PRO CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 507 . 1 1 52 52 PRO CD C 13 50.40 0.3 . 1 . . . . . . . . 6342 1 508 . 1 1 53 53 ASP H H 1 8.62 0.03 . 1 . . . . . . . . 6342 1 509 . 1 1 53 53 ASP HA H 1 4.72 0.03 . 1 . . . . . . . . 6342 1 510 . 1 1 53 53 ASP HB2 H 1 3.08 0.03 . 2 . . . . . . . . 6342 1 511 . 1 1 53 53 ASP HB3 H 1 2.14 0.03 . 2 . . . . . . . . 6342 1 512 . 1 1 53 53 ASP C C 13 181.311 0.3 . 1 . . . . . . . . 6342 1 513 . 1 1 53 53 ASP CA C 13 51.90 0.3 . 1 . . . . . . . . 6342 1 514 . 1 1 53 53 ASP CB C 13 39.90 0.3 . 1 . . . . . . . . 6342 1 515 . 1 1 53 53 ASP N N 15 118.50 0.3 . 1 . . . . . . . . 6342 1 516 . 1 1 54 54 LEU H H 1 6.94 0.03 . 1 . . . . . . . . 6342 1 517 . 1 1 54 54 LEU HA H 1 4.33 0.03 . 1 . . . . . . . . 6342 1 518 . 1 1 54 54 LEU HD11 H 1 1.00 0.03 . 2 . . . . . . . . 6342 1 519 . 1 1 54 54 LEU HD12 H 1 1.00 0.03 . 2 . . . . . . . . 6342 1 520 . 1 1 54 54 LEU HD13 H 1 1.00 0.03 . 2 . . . . . . . . 6342 1 521 . 1 1 54 54 LEU HD21 H 1 0.91 0.03 . 2 . . . . . . . . 6342 1 522 . 1 1 54 54 LEU HD22 H 1 0.91 0.03 . 2 . . . . . . . . 6342 1 523 . 1 1 54 54 LEU HD23 H 1 0.91 0.03 . 2 . . . . . . . . 6342 1 524 . 1 1 54 54 LEU C C 13 179.655 0.3 . 1 . . . . . . . . 6342 1 525 . 1 1 54 54 LEU CA C 13 57.00 0.3 . 1 . . . . . . . . 6342 1 526 . 1 1 54 54 LEU CB C 13 40.521 0.3 . 1 . . . . . . . . 6342 1 527 . 1 1 54 54 LEU CD1 C 13 25.60 0.3 . 1 . . . . . . . . 6342 1 528 . 1 1 54 54 LEU CD2 C 13 24.70 0.3 . 1 . . . . . . . . 6342 1 529 . 1 1 54 54 LEU N N 15 119.00 0.3 . 1 . . . . . . . . 6342 1 530 . 1 1 55 55 ALA H H 1 8.91 0.03 . 1 . . . . . . . . 6342 1 531 . 1 1 55 55 ALA HA H 1 5.51 0.03 . 1 . . . . . . . . 6342 1 532 . 1 1 55 55 ALA HB1 H 1 1.14 0.03 . 1 . . . . . . . . 6342 1 533 . 1 1 55 55 ALA HB2 H 1 1.14 0.03 . 1 . . . . . . . . 6342 1 534 . 1 1 55 55 ALA HB3 H 1 1.14 0.03 . 1 . . . . . . . . 6342 1 535 . 1 1 55 55 ALA C C 13 179.433 0.3 . 1 . . . . . . . . 6342 1 536 . 1 1 55 55 ALA CA C 13 49.50 0.3 . 1 . . . . . . . . 6342 1 537 . 1 1 55 55 ALA CB C 13 22.60 0.3 . 1 . . . . . . . . 6342 1 538 . 1 1 55 55 ALA N N 15 129.60 0.3 . 1 . . . . . . . . 6342 1 539 . 1 1 56 56 GLN H H 1 9.07 0.03 . 1 . . . . . . . . 6342 1 540 . 1 1 56 56 GLN HA H 1 5.70 0.03 . 1 . . . . . . . . 6342 1 541 . 1 1 56 56 GLN HB2 H 1 2.01 0.03 . 2 . . . . . . . . 6342 1 542 . 1 1 56 56 GLN HB3 H 1 1.78 0.03 . 2 . . . . . . . . 6342 1 543 . 1 1 56 56 GLN HG2 H 1 2.10 0.03 . 2 . . . . . . . . 6342 1 544 . 1 1 56 56 GLN HG3 H 1 1.97 0.03 . 2 . . . . . . . . 6342 1 545 . 1 1 56 56 GLN C C 13 179.008 0.3 . 1 . . . . . . . . 6342 1 546 . 1 1 56 56 GLN CA C 13 52.80 0.3 . 1 . . . . . . . . 6342 1 547 . 1 1 56 56 GLN CB C 13 35.10 0.3 . 1 . . . . . . . . 6342 1 548 . 1 1 56 56 GLN CG C 13 33.70 0.3 . 1 . . . . . . . . 6342 1 549 . 1 1 56 56 GLN N N 15 120.00 0.3 . 1 . . . . . . . . 6342 1 550 . 1 1 57 57 CYS H H 1 8.53 0.03 . 1 . . . . . . . . 6342 1 551 . 1 1 57 57 CYS HA H 1 4.12 0.03 . 1 . . . . . . . . 6342 1 552 . 1 1 57 57 CYS HB2 H 1 3.04 0.03 . 2 . . . . . . . . 6342 1 553 . 1 1 57 57 CYS HB3 H 1 1.76 0.03 . 2 . . . . . . . . 6342 1 554 . 1 1 57 57 CYS C C 13 177.114 0.3 . 1 . . . . . . . . 6342 1 555 . 1 1 57 57 CYS CA C 13 58.70 0.3 . 1 . . . . . . . . 6342 1 556 . 1 1 57 57 CYS CB C 13 30.40 0.3 . 1 . . . . . . . . 6342 1 557 . 1 1 57 57 CYS N N 15 129.80 0.3 . 1 . . . . . . . . 6342 1 558 . 1 1 58 58 PHE H H 1 8.49 0.03 . 1 . . . . . . . . 6342 1 559 . 1 1 58 58 PHE HA H 1 4.04 0.03 . 1 . . . . . . . . 6342 1 560 . 1 1 58 58 PHE HB2 H 1 2.98 0.03 . 2 . . . . . . . . 6342 1 561 . 1 1 58 58 PHE HB3 H 1 2.56 0.03 . 2 . . . . . . . . 6342 1 562 . 1 1 58 58 PHE HE1 H 1 5.18 0.03 . 1 . . . . . . . . 6342 1 563 . 1 1 58 58 PHE HE2 H 1 5.18 0.03 . 1 . . . . . . . . 6342 1 564 . 1 1 58 58 PHE HZ H 1 6.58 0.03 . 1 . . . . . . . . 6342 1 565 . 1 1 58 58 PHE CA C 13 58.10 0.3 . 1 . . . . . . . . 6342 1 566 . 1 1 58 58 PHE CB C 13 37.80 0.3 . 1 . . . . . . . . 6342 1 567 . 1 1 58 58 PHE N N 15 128.80 0.3 . 1 . . . . . . . . 6342 1 568 . 1 1 59 59 PHE H H 1 8.94 0.03 . 1 . . . . . . . . 6342 1 569 . 1 1 59 59 PHE HA H 1 3.02 0.03 . 1 . . . . . . . . 6342 1 570 . 1 1 59 59 PHE HB2 H 1 2.44 0.03 . 2 . . . . . . . . 6342 1 571 . 1 1 59 59 PHE HB3 H 1 0.63 0.03 . 2 . . . . . . . . 6342 1 572 . 1 1 59 59 PHE HD1 H 1 6.95 0.03 . 1 . . . . . . . . 6342 1 573 . 1 1 59 59 PHE HD2 H 1 6.95 0.03 . 1 . . . . . . . . 6342 1 574 . 1 1 59 59 PHE HE1 H 1 7.49 0.03 . 1 . . . . . . . . 6342 1 575 . 1 1 59 59 PHE HE2 H 1 7.49 0.03 . 1 . . . . . . . . 6342 1 576 . 1 1 59 59 PHE HZ H 1 7.52 0.03 . 1 . . . . . . . . 6342 1 577 . 1 1 59 59 PHE C C 13 180.406 0.3 . 1 . . . . . . . . 6342 1 578 . 1 1 59 59 PHE CA C 13 59.90 0.3 . 1 . . . . . . . . 6342 1 579 . 1 1 59 59 PHE CB C 13 41.10 0.3 . 1 . . . . . . . . 6342 1 580 . 1 1 59 59 PHE CD1 C 13 131.00 0.3 . 1 . . . . . . . . 6342 1 581 . 1 1 59 59 PHE CD2 C 13 131.00 0.3 . 1 . . . . . . . . 6342 1 582 . 1 1 59 59 PHE CE1 C 13 131.60 0.3 . 1 . . . . . . . . 6342 1 583 . 1 1 59 59 PHE CE2 C 13 131.60 0.3 . 1 . . . . . . . . 6342 1 584 . 1 1 59 59 PHE CZ C 13 130.40 0.3 . 1 . . . . . . . . 6342 1 585 . 1 1 59 59 PHE N N 15 126.50 0.3 . 1 . . . . . . . . 6342 1 586 . 1 1 60 60 CYS H H 1 9.08 0.03 . 1 . . . . . . . . 6342 1 587 . 1 1 60 60 CYS HA H 1 4.87 0.03 . 1 . . . . . . . . 6342 1 588 . 1 1 60 60 CYS HB2 H 1 3.43 0.03 . 2 . . . . . . . . 6342 1 589 . 1 1 60 60 CYS HB3 H 1 3.38 0.03 . 2 . . . . . . . . 6342 1 590 . 1 1 60 60 CYS C C 13 177.165 0.3 . 1 . . . . . . . . 6342 1 591 . 1 1 60 60 CYS CA C 13 58.10 0.3 . 1 . . . . . . . . 6342 1 592 . 1 1 60 60 CYS CB C 13 30.70 0.3 . 1 . . . . . . . . 6342 1 593 . 1 1 60 60 CYS N N 15 117.20 0.3 . 1 . . . . . . . . 6342 1 594 . 1 1 61 61 PHE H H 1 6.93 0.03 . 1 . . . . . . . . 6342 1 595 . 1 1 61 61 PHE HA H 1 4.20 0.03 . 1 . . . . . . . . 6342 1 596 . 1 1 61 61 PHE HB2 H 1 3.22 0.03 . 2 . . . . . . . . 6342 1 597 . 1 1 61 61 PHE HD1 H 1 6.74 0.03 . 1 . . . . . . . . 6342 1 598 . 1 1 61 61 PHE HD2 H 1 6.74 0.03 . 1 . . . . . . . . 6342 1 599 . 1 1 61 61 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 6342 1 600 . 1 1 61 61 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 6342 1 601 . 1 1 61 61 PHE HZ H 1 6.94 0.03 . 1 . . . . . . . . 6342 1 602 . 1 1 61 61 PHE C C 13 180.463 0.3 . 1 . . . . . . . . 6342 1 603 . 1 1 61 61 PHE CA C 13 60.50 0.3 . 1 . . . . . . . . 6342 1 604 . 1 1 61 61 PHE CB C 13 35.00 0.3 . 1 . . . . . . . . 6342 1 605 . 1 1 61 61 PHE CD1 C 13 130.40 0.3 . 1 . . . . . . . . 6342 1 606 . 1 1 61 61 PHE CD2 C 13 130.40 0.3 . 1 . . . . . . . . 6342 1 607 . 1 1 61 61 PHE CE1 C 13 131.60 0.3 . 1 . . . . . . . . 6342 1 608 . 1 1 61 61 PHE CE2 C 13 131.60 0.3 . 1 . . . . . . . . 6342 1 609 . 1 1 61 61 PHE CZ C 13 128.90 0.3 . 1 . . . . . . . . 6342 1 610 . 1 1 61 61 PHE N N 15 115.60 0.3 . 1 . . . . . . . . 6342 1 611 . 1 1 62 62 LYS H H 1 8.11 0.03 . 1 . . . . . . . . 6342 1 612 . 1 1 62 62 LYS HA H 1 4.41 0.03 . 1 . . . . . . . . 6342 1 613 . 1 1 62 62 LYS HB2 H 1 2.16 0.03 . 2 . . . . . . . . 6342 1 614 . 1 1 62 62 LYS HB3 H 1 1.81 0.03 . 2 . . . . . . . . 6342 1 615 . 1 1 62 62 LYS HG2 H 1 1.45 0.03 . 2 . . . . . . . . 6342 1 616 . 1 1 62 62 LYS HD2 H 1 1.98 0.03 . 2 . . . . . . . . 6342 1 617 . 1 1 62 62 LYS HE2 H 1 3.14 0.03 . 1 . . . . . . . . 6342 1 618 . 1 1 62 62 LYS C C 13 179.225 0.3 . 1 . . . . . . . . 6342 1 619 . 1 1 62 62 LYS CA C 13 56.30 0.3 . 1 . . . . . . . . 6342 1 620 . 1 1 62 62 LYS CB C 13 32.50 0.3 . 1 . . . . . . . . 6342 1 621 . 1 1 62 62 LYS CG C 13 24.40 0.3 . 1 . . . . . . . . 6342 1 622 . 1 1 62 62 LYS CD C 13 27.70 0.3 . 1 . . . . . . . . 6342 1 623 . 1 1 62 62 LYS CE C 13 42.00 0.3 . 1 . . . . . . . . 6342 1 624 . 1 1 62 62 LYS N N 15 122.60 0.3 . 1 . . . . . . . . 6342 1 625 . 1 1 63 63 GLU H H 1 8.64 0.03 . 1 . . . . . . . . 6342 1 626 . 1 1 63 63 GLU HA H 1 5.42 0.03 . 1 . . . . . . . . 6342 1 627 . 1 1 63 63 GLU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 6342 1 628 . 1 1 63 63 GLU HB3 H 1 1.96 0.03 . 2 . . . . . . . . 6342 1 629 . 1 1 63 63 GLU HG2 H 1 2.48 0.03 . 2 . . . . . . . . 6342 1 630 . 1 1 63 63 GLU HG3 H 1 2.15 0.03 . 2 . . . . . . . . 6342 1 631 . 1 1 63 63 GLU C C 13 178.62 0.3 . 1 . . . . . . . . 6342 1 632 . 1 1 63 63 GLU CA C 13 54.30 0.3 . 1 . . . . . . . . 6342 1 633 . 1 1 63 63 GLU CB C 13 31.30 0.3 . 1 . . . . . . . . 6342 1 634 . 1 1 63 63 GLU CG C 13 36.60 0.3 . 1 . . . . . . . . 6342 1 635 . 1 1 63 63 GLU N N 15 126.00 0.3 . 1 . . . . . . . . 6342 1 636 . 1 1 64 64 LEU H H 1 9.26 0.03 . 1 . . . . . . . . 6342 1 637 . 1 1 64 64 LEU HA H 1 4.65 0.03 . 1 . . . . . . . . 6342 1 638 . 1 1 64 64 LEU HB2 H 1 1.44 0.03 . 2 . . . . . . . . 6342 1 639 . 1 1 64 64 LEU HB3 H 1 1.04 0.03 . 2 . . . . . . . . 6342 1 640 . 1 1 64 64 LEU HG H 1 1.31 0.03 . 1 . . . . . . . . 6342 1 641 . 1 1 64 64 LEU HD11 H 1 0.72 0.03 . 2 . . . . . . . . 6342 1 642 . 1 1 64 64 LEU HD12 H 1 0.72 0.03 . 2 . . . . . . . . 6342 1 643 . 1 1 64 64 LEU HD13 H 1 0.72 0.03 . 2 . . . . . . . . 6342 1 644 . 1 1 64 64 LEU HD21 H 1 0.42 0.03 . 2 . . . . . . . . 6342 1 645 . 1 1 64 64 LEU HD22 H 1 0.42 0.03 . 2 . . . . . . . . 6342 1 646 . 1 1 64 64 LEU HD23 H 1 0.42 0.03 . 2 . . . . . . . . 6342 1 647 . 1 1 64 64 LEU CA C 13 54.30 0.3 . 1 . . . . . . . . 6342 1 648 . 1 1 64 64 LEU CB C 13 46.80 0.3 . 1 . . . . . . . . 6342 1 649 . 1 1 64 64 LEU CG C 13 27.70 0.3 . 1 . . . . . . . . 6342 1 650 . 1 1 64 64 LEU CD1 C 13 25.00 0.3 . 1 . . . . . . . . 6342 1 651 . 1 1 64 64 LEU CD2 C 13 23.50 0.3 . 1 . . . . . . . . 6342 1 652 . 1 1 64 64 LEU N N 15 123.60 0.3 . 1 . . . . . . . . 6342 1 653 . 1 1 65 65 GLU H H 1 8.35 0.03 . 1 . . . . . . . . 6342 1 654 . 1 1 65 65 GLU HA H 1 4.95 0.03 . 1 . . . . . . . . 6342 1 655 . 1 1 65 65 GLU HB2 H 1 2.32 0.03 . 2 . . . . . . . . 6342 1 656 . 1 1 65 65 GLU HB3 H 1 1.95 0.03 . 2 . . . . . . . . 6342 1 657 . 1 1 65 65 GLU HG2 H 1 2.15 0.03 . 2 . . . . . . . . 6342 1 658 . 1 1 65 65 GLU HG3 H 1 2.05 0.03 . 2 . . . . . . . . 6342 1 659 . 1 1 65 65 GLU C C 13 179.966 0.3 . 1 . . . . . . . . 6342 1 660 . 1 1 65 65 GLU CA C 13 53.40 0.3 . 1 . . . . . . . . 6342 1 661 . 1 1 65 65 GLU CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 662 . 1 1 65 65 GLU CG C 13 34.00 0.3 . 1 . . . . . . . . 6342 1 663 . 1 1 65 65 GLU N N 15 121.30 0.3 . 1 . . . . . . . . 6342 1 664 . 1 1 66 66 GLY H H 1 9.44 0.03 . 1 . . . . . . . . 6342 1 665 . 1 1 66 66 GLY HA2 H 1 3.89 0.03 . 2 . . . . . . . . 6342 1 666 . 1 1 66 66 GLY HA3 H 1 3.78 0.03 . 2 . . . . . . . . 6342 1 667 . 1 1 66 66 GLY C C 13 179.174 0.3 . 1 . . . . . . . . 6342 1 668 . 1 1 66 66 GLY CA C 13 46.20 0.3 . 1 . . . . . . . . 6342 1 669 . 1 1 66 66 GLY N N 15 112.60 0.3 . 1 . . . . . . . . 6342 1 670 . 1 1 67 67 TRP H H 1 8.01 0.03 . 1 . . . . . . . . 6342 1 671 . 1 1 67 67 TRP HA H 1 4.09 0.03 . 1 . . . . . . . . 6342 1 672 . 1 1 67 67 TRP HB2 H 1 3.56 0.03 . 2 . . . . . . . . 6342 1 673 . 1 1 67 67 TRP HB3 H 1 2.98 0.03 . 2 . . . . . . . . 6342 1 674 . 1 1 67 67 TRP HD1 H 1 7.76 0.03 . 1 . . . . . . . . 6342 1 675 . 1 1 67 67 TRP HE1 H 1 8.87 0.03 . 1 . . . . . . . . 6342 1 676 . 1 1 67 67 TRP HE3 H 1 7.92 0.03 . 1 . . . . . . . . 6342 1 677 . 1 1 67 67 TRP HZ2 H 1 6.22 0.03 . 1 . . . . . . . . 6342 1 678 . 1 1 67 67 TRP HZ3 H 1 6.48 0.03 . 1 . . . . . . . . 6342 1 679 . 1 1 67 67 TRP HH2 H 1 6.59 0.03 . 1 . . . . . . . . 6342 1 680 . 1 1 67 67 TRP C C 13 179.174 0.3 . 1 . . . . . . . . 6342 1 681 . 1 1 67 67 TRP CA C 13 57.00 0.3 . 1 . . . . . . . . 6342 1 682 . 1 1 67 67 TRP CB C 13 29.80 0.3 . 1 . . . . . . . . 6342 1 683 . 1 1 67 67 TRP CD1 C 13 128.30 0.3 . 1 . . . . . . . . 6342 1 684 . 1 1 67 67 TRP CE3 C 13 122.10 0.3 . 1 . . . . . . . . 6342 1 685 . 1 1 67 67 TRP CZ2 C 13 114.00 0.3 . 1 . . . . . . . . 6342 1 686 . 1 1 67 67 TRP CZ3 C 13 119.70 0.3 . 1 . . . . . . . . 6342 1 687 . 1 1 67 67 TRP CH2 C 13 123.00 0.3 . 1 . . . . . . . . 6342 1 688 . 1 1 67 67 TRP N N 15 122.30 0.3 . 1 . . . . . . . . 6342 1 689 . 1 1 67 67 TRP NE1 N 15 126.00 0.3 . 1 . . . . . . . . 6342 1 690 . 1 1 68 68 GLU H H 1 8.92 0.03 . 1 . . . . . . . . 6342 1 691 . 1 1 68 68 GLU HA H 1 4.60 0.03 . 1 . . . . . . . . 6342 1 692 . 1 1 68 68 GLU CA C 13 53.10 0.3 . 1 . . . . . . . . 6342 1 693 . 1 1 68 68 GLU N N 15 123.90 0.3 . 1 . . . . . . . . 6342 1 694 . 1 1 69 69 PRO HA H 1 3.26 0.03 . 1 . . . . . . . . 6342 1 695 . 1 1 69 69 PRO HB2 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 696 . 1 1 69 69 PRO HB3 H 1 1.73 0.03 . 2 . . . . . . . . 6342 1 697 . 1 1 69 69 PRO HG2 H 1 1.91 0.03 . 2 . . . . . . . . 6342 1 698 . 1 1 69 69 PRO HG3 H 1 1.72 0.03 . 2 . . . . . . . . 6342 1 699 . 1 1 69 69 PRO HD2 H 1 3.71 0.03 . 2 . . . . . . . . 6342 1 700 . 1 1 69 69 PRO HD3 H 1 3.30 0.03 . 2 . . . . . . . . 6342 1 701 . 1 1 69 69 PRO C C 13 178.651 0.3 . 1 . . . . . . . . 6342 1 702 . 1 1 69 69 PRO CA C 13 65.00 0.3 . 1 . . . . . . . . 6342 1 703 . 1 1 69 69 PRO CB C 13 31.60 0.3 . 1 . . . . . . . . 6342 1 704 . 1 1 69 69 PRO CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 705 . 1 1 69 69 PRO CD C 13 49.50 0.3 . 1 . . . . . . . . 6342 1 706 . 1 1 70 70 ASP H H 1 7.63 0.03 . 1 . . . . . . . . 6342 1 707 . 1 1 70 70 ASP HA H 1 4.81 0.03 . 1 . . . . . . . . 6342 1 708 . 1 1 70 70 ASP HB2 H 1 2.79 0.03 . 2 . . . . . . . . 6342 1 709 . 1 1 70 70 ASP HB3 H 1 2.58 0.03 . 2 . . . . . . . . 6342 1 710 . 1 1 70 70 ASP CA C 13 53.40 0.3 . 1 . . . . . . . . 6342 1 711 . 1 1 70 70 ASP CB C 13 40.20 0.3 . 1 . . . . . . . . 6342 1 712 . 1 1 70 70 ASP N N 15 111.00 0.3 . 1 . . . . . . . . 6342 1 713 . 1 1 71 71 ASP H H 1 7.87 0.03 . 1 . . . . . . . . 6342 1 714 . 1 1 71 71 ASP HA H 1 4.44 0.03 . 1 . . . . . . . . 6342 1 715 . 1 1 71 71 ASP HB2 H 1 3.32 0.03 . 2 . . . . . . . . 6342 1 716 . 1 1 71 71 ASP HB3 H 1 2.43 0.03 . 2 . . . . . . . . 6342 1 717 . 1 1 71 71 ASP C C 13 180.965 0.3 . 1 . . . . . . . . 6342 1 718 . 1 1 71 71 ASP CA C 13 55.20 0.3 . 1 . . . . . . . . 6342 1 719 . 1 1 71 71 ASP CB C 13 41.40 0.3 . 1 . . . . . . . . 6342 1 720 . 1 1 71 71 ASP N N 15 123.10 0.3 . 1 . . . . . . . . 6342 1 721 . 1 1 72 72 ASP H H 1 8.81 0.03 . 1 . . . . . . . . 6342 1 722 . 1 1 72 72 ASP HA H 1 4.99 0.03 . 1 . . . . . . . . 6342 1 723 . 1 1 72 72 ASP HB2 H 1 3.06 0.03 . 2 . . . . . . . . 6342 1 724 . 1 1 72 72 ASP HB3 H 1 2.65 0.03 . 2 . . . . . . . . 6342 1 725 . 1 1 72 72 ASP CA C 13 50.10 0.3 . 1 . . . . . . . . 6342 1 726 . 1 1 72 72 ASP CB C 13 42.30 0.3 . 1 . . . . . . . . 6342 1 727 . 1 1 72 72 ASP N N 15 120.80 0.3 . 1 . . . . . . . . 6342 1 728 . 1 1 73 73 PRO HA H 1 4.50 0.03 . 1 . . . . . . . . 6342 1 729 . 1 1 73 73 PRO HB2 H 1 2.78 0.03 . 2 . . . . . . . . 6342 1 730 . 1 1 73 73 PRO HB3 H 1 2.01 0.03 . 2 . . . . . . . . 6342 1 731 . 1 1 73 73 PRO HD2 H 1 4.54 0.03 . 2 . . . . . . . . 6342 1 732 . 1 1 73 73 PRO HD3 H 1 3.82 0.03 . 2 . . . . . . . . 6342 1 733 . 1 1 73 73 PRO C C 13 175.794 0.3 . 1 . . . . . . . . 6342 1 734 . 1 1 73 73 PRO CA C 13 65.90 0.3 . 1 . . . . . . . . 6342 1 735 . 1 1 73 73 PRO CB C 13 34.00 0.3 . 1 . . . . . . . . 6342 1 736 . 1 1 74 74 ILE H H 1 8.09 0.03 . 1 . . . . . . . . 6342 1 737 . 1 1 74 74 ILE HA H 1 3.98 0.03 . 1 . . . . . . . . 6342 1 738 . 1 1 74 74 ILE HB H 1 2.24 0.03 . 1 . . . . . . . . 6342 1 739 . 1 1 74 74 ILE HG13 H 1 1.34 0.03 . 2 . . . . . . . . 6342 1 740 . 1 1 74 74 ILE HG21 H 1 0.97 0.03 . 1 . . . . . . . . 6342 1 741 . 1 1 74 74 ILE HG22 H 1 0.97 0.03 . 1 . . . . . . . . 6342 1 742 . 1 1 74 74 ILE HG23 H 1 0.97 0.03 . 1 . . . . . . . . 6342 1 743 . 1 1 74 74 ILE HD11 H 1 0.98 0.03 . 1 . . . . . . . . 6342 1 744 . 1 1 74 74 ILE HD12 H 1 0.98 0.03 . 1 . . . . . . . . 6342 1 745 . 1 1 74 74 ILE HD13 H 1 0.98 0.03 . 1 . . . . . . . . 6342 1 746 . 1 1 74 74 ILE CA C 13 64.40 0.3 . 1 . . . . . . . . 6342 1 747 . 1 1 74 74 ILE CB C 13 36.60 0.3 . 1 . . . . . . . . 6342 1 748 . 1 1 74 74 ILE CG1 C 13 29.10 0.3 . 1 . . . . . . . . 6342 1 749 . 1 1 74 74 ILE CG2 C 13 17.50 0.3 . 1 . . . . . . . . 6342 1 750 . 1 1 74 74 ILE CD1 C 13 12.40 0.3 . 1 . . . . . . . . 6342 1 751 . 1 1 74 74 ILE N N 15 116.70 0.3 . 1 . . . . . . . . 6342 1 752 . 1 1 75 75 GLU H H 1 7.54 0.03 . 1 . . . . . . . . 6342 1 753 . 1 1 75 75 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 6342 1 754 . 1 1 75 75 GLU HB2 H 1 2.22 0.03 . 2 . . . . . . . . 6342 1 755 . 1 1 75 75 GLU HG2 H 1 2.27 0.03 . 2 . . . . . . . . 6342 1 756 . 1 1 75 75 GLU C C 13 174.091 0.3 . 1 . . . . . . . . 6342 1 757 . 1 1 75 75 GLU CA C 13 58.40 0.3 . 1 . . . . . . . . 6342 1 758 . 1 1 75 75 GLU CB C 13 29.20 0.3 . 1 . . . . . . . . 6342 1 759 . 1 1 75 75 GLU CG C 13 35.70 0.3 . 1 . . . . . . . . 6342 1 760 . 1 1 75 75 GLU N N 15 120.30 0.3 . 1 . . . . . . . . 6342 1 761 . 1 1 76 76 GLU H H 1 8.74 0.03 . 1 . . . . . . . . 6342 1 762 . 1 1 76 76 GLU HA H 1 4.15 0.03 . 1 . . . . . . . . 6342 1 763 . 1 1 76 76 GLU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 6342 1 764 . 1 1 76 76 GLU HB3 H 1 2.05 0.03 . 2 . . . . . . . . 6342 1 765 . 1 1 76 76 GLU C C 13 176.042 0.3 . 1 . . . . . . . . 6342 1 766 . 1 1 76 76 GLU CA C 13 58.40 0.3 . 1 . . . . . . . . 6342 1 767 . 1 1 76 76 GLU CB C 13 29.20 0.3 . 1 . . . . . . . . 6342 1 768 . 1 1 76 76 GLU N N 15 117.70 0.3 . 1 . . . . . . . . 6342 1 769 . 1 1 77 77 HIS H H 1 8.44 0.03 . 1 . . . . . . . . 6342 1 770 . 1 1 77 77 HIS HA H 1 4.38 0.03 . 1 . . . . . . . . 6342 1 771 . 1 1 77 77 HIS HB2 H 1 3.90 0.03 . 2 . . . . . . . . 6342 1 772 . 1 1 77 77 HIS HB3 H 1 3.75 0.03 . 2 . . . . . . . . 6342 1 773 . 1 1 77 77 HIS HD2 H 1 7.05 0.03 . 1 . . . . . . . . 6342 1 774 . 1 1 77 77 HIS HE1 H 1 8.67 0.03 . 1 . . . . . . . . 6342 1 775 . 1 1 77 77 HIS C C 13 177.481 0.3 . 1 . . . . . . . . 6342 1 776 . 1 1 77 77 HIS CA C 13 58.10 0.3 . 1 . . . . . . . . 6342 1 777 . 1 1 77 77 HIS CB C 13 30.10 0.3 . 1 . . . . . . . . 6342 1 778 . 1 1 77 77 HIS CD2 C 13 124.70 0.3 . 1 . . . . . . . . 6342 1 779 . 1 1 77 77 HIS CE1 C 13 142.20 0.3 . 1 . . . . . . . . 6342 1 780 . 1 1 77 77 HIS N N 15 119.80 0.3 . 1 . . . . . . . . 6342 1 781 . 1 1 78 78 LYS H H 1 8.27 0.03 . 1 . . . . . . . . 6342 1 782 . 1 1 78 78 LYS HA H 1 3.72 0.03 . 1 . . . . . . . . 6342 1 783 . 1 1 78 78 LYS HB2 H 1 1.87 0.03 . 2 . . . . . . . . 6342 1 784 . 1 1 78 78 LYS HG2 H 1 1.63 0.03 . 2 . . . . . . . . 6342 1 785 . 1 1 78 78 LYS HG3 H 1 1.46 0.03 . 2 . . . . . . . . 6342 1 786 . 1 1 78 78 LYS HD2 H 1 1.65 0.03 . 2 . . . . . . . . 6342 1 787 . 1 1 78 78 LYS CA C 13 59.30 0.3 . 1 . . . . . . . . 6342 1 788 . 1 1 78 78 LYS CB C 13 32.60 0.3 . 1 . . . . . . . . 6342 1 789 . 1 1 78 78 LYS CG C 13 25.60 0.3 . 1 . . . . . . . . 6342 1 790 . 1 1 78 78 LYS CD C 13 29.50 0.3 . 1 . . . . . . . . 6342 1 791 . 1 1 78 78 LYS CE C 13 41.40 0.3 . 1 . . . . . . . . 6342 1 792 . 1 1 78 78 LYS N N 15 116.90 0.3 . 1 . . . . . . . . 6342 1 793 . 1 1 79 79 LYS H H 1 7.88 0.03 . 1 . . . . . . . . 6342 1 794 . 1 1 79 79 LYS HA H 1 3.89 0.03 . 1 . . . . . . . . 6342 1 795 . 1 1 79 79 LYS HB2 H 1 1.76 0.03 . 2 . . . . . . . . 6342 1 796 . 1 1 79 79 LYS HB3 H 1 1.59 0.03 . 2 . . . . . . . . 6342 1 797 . 1 1 79 79 LYS HG2 H 1 1.35 0.03 . 2 . . . . . . . . 6342 1 798 . 1 1 79 79 LYS HG3 H 1 0.90 0.03 . 2 . . . . . . . . 6342 1 799 . 1 1 79 79 LYS HD2 H 1 1.54 0.03 . 2 . . . . . . . . 6342 1 800 . 1 1 79 79 LYS C C 13 175.732 0.3 . 1 . . . . . . . . 6342 1 801 . 1 1 79 79 LYS CA C 13 58.70 0.3 . 1 . . . . . . . . 6342 1 802 . 1 1 79 79 LYS CB C 13 32.50 0.3 . 1 . . . . . . . . 6342 1 803 . 1 1 79 79 LYS CG C 13 24.40 0.3 . 1 . . . . . . . . 6342 1 804 . 1 1 79 79 LYS CD C 13 29.20 0.3 . 1 . . . . . . . . 6342 1 805 . 1 1 79 79 LYS CE C 13 41.40 0.3 . 1 . . . . . . . . 6342 1 806 . 1 1 79 79 LYS N N 15 117.20 0.3 . 1 . . . . . . . . 6342 1 807 . 1 1 80 80 HIS H H 1 7.67 0.03 . 1 . . . . . . . . 6342 1 808 . 1 1 80 80 HIS HA H 1 4.67 0.03 . 1 . . . . . . . . 6342 1 809 . 1 1 80 80 HIS HB2 H 1 3.18 0.03 . 2 . . . . . . . . 6342 1 810 . 1 1 80 80 HIS HB3 H 1 2.88 0.03 . 2 . . . . . . . . 6342 1 811 . 1 1 80 80 HIS HD2 H 1 7.28 0.03 . 1 . . . . . . . . 6342 1 812 . 1 1 80 80 HIS C C 13 178.853 0.3 . 1 . . . . . . . . 6342 1 813 . 1 1 80 80 HIS CA C 13 57.60 0.3 . 1 . . . . . . . . 6342 1 814 . 1 1 80 80 HIS CB C 13 32.80 0.3 . 1 . . . . . . . . 6342 1 815 . 1 1 80 80 HIS CD2 C 13 120.60 0.3 . 1 . . . . . . . . 6342 1 816 . 1 1 80 80 HIS N N 15 113.80 0.3 . 1 . . . . . . . . 6342 1 817 . 1 1 81 81 SER H H 1 8.36 0.03 . 1 . . . . . . . . 6342 1 818 . 1 1 81 81 SER HA H 1 4.73 0.03 . 1 . . . . . . . . 6342 1 819 . 1 1 81 81 SER HB2 H 1 4.45 0.03 . 2 . . . . . . . . 6342 1 820 . 1 1 81 81 SER HB3 H 1 3.42 0.03 . 2 . . . . . . . . 6342 1 821 . 1 1 81 81 SER CA C 13 55.20 0.3 . 1 . . . . . . . . 6342 1 822 . 1 1 81 81 SER CB C 13 61.70 0.3 . 1 . . . . . . . . 6342 1 823 . 1 1 81 81 SER N N 15 118.20 0.3 . 1 . . . . . . . . 6342 1 824 . 1 1 82 82 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 6342 1 825 . 1 1 82 82 SER HB2 H 1 4.08 0.03 . 2 . . . . . . . . 6342 1 826 . 1 1 82 82 SER HB3 H 1 3.94 0.03 . 2 . . . . . . . . 6342 1 827 . 1 1 82 82 SER CA C 13 60.80 0.3 . 1 . . . . . . . . 6342 1 828 . 1 1 82 82 SER CB C 13 62.60 0.3 . 1 . . . . . . . . 6342 1 829 . 1 1 83 83 GLY C C 13 180.706 0.3 . 1 . . . . . . . . 6342 1 830 . 1 1 84 84 CYS H H 1 7.52 0.03 . 1 . . . . . . . . 6342 1 831 . 1 1 84 84 CYS HA H 1 4.09 0.03 . 1 . . . . . . . . 6342 1 832 . 1 1 84 84 CYS HB2 H 1 3.10 0.03 . 2 . . . . . . . . 6342 1 833 . 1 1 84 84 CYS HB3 H 1 2.97 0.03 . 2 . . . . . . . . 6342 1 834 . 1 1 84 84 CYS CA C 13 61.10 0.3 . 1 . . . . . . . . 6342 1 835 . 1 1 84 84 CYS CB C 13 29.20 0.3 . 1 . . . . . . . . 6342 1 836 . 1 1 84 84 CYS N N 15 123.90 0.3 . 1 . . . . . . . . 6342 1 837 . 1 1 85 85 ALA H H 1 9.22 0.03 . 1 . . . . . . . . 6342 1 838 . 1 1 85 85 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . 6342 1 839 . 1 1 85 85 ALA HB1 H 1 1.46 0.03 . 1 . . . . . . . . 6342 1 840 . 1 1 85 85 ALA HB2 H 1 1.46 0.03 . 1 . . . . . . . . 6342 1 841 . 1 1 85 85 ALA HB3 H 1 1.46 0.03 . 1 . . . . . . . . 6342 1 842 . 1 1 85 85 ALA CA C 13 54.60 0.3 . 1 . . . . . . . . 6342 1 843 . 1 1 85 85 ALA CB C 13 17.80 0.3 . 1 . . . . . . . . 6342 1 844 . 1 1 85 85 ALA N N 15 134.30 0.3 . 1 . . . . . . . . 6342 1 845 . 1 1 86 86 PHE H H 1 7.64 0.03 . 1 . . . . . . . . 6342 1 846 . 1 1 86 86 PHE HA H 1 3.59 0.03 . 1 . . . . . . . . 6342 1 847 . 1 1 86 86 PHE HB2 H 1 2.87 0.03 . 2 . . . . . . . . 6342 1 848 . 1 1 86 86 PHE HB3 H 1 2.05 0.03 . 2 . . . . . . . . 6342 1 849 . 1 1 86 86 PHE HD1 H 1 6.89 0.03 . 1 . . . . . . . . 6342 1 850 . 1 1 86 86 PHE HD2 H 1 6.89 0.03 . 1 . . . . . . . . 6342 1 851 . 1 1 86 86 PHE HE1 H 1 7.42 0.03 . 1 . . . . . . . . 6342 1 852 . 1 1 86 86 PHE HE2 H 1 7.42 0.03 . 1 . . . . . . . . 6342 1 853 . 1 1 86 86 PHE C C 13 177.652 0.3 . 1 . . . . . . . . 6342 1 854 . 1 1 86 86 PHE CA C 13 60.80 0.3 . 1 . . . . . . . . 6342 1 855 . 1 1 86 86 PHE CB C 13 38.70 0.3 . 1 . . . . . . . . 6342 1 856 . 1 1 86 86 PHE CD1 C 13 131.00 0.3 . 1 . . . . . . . . 6342 1 857 . 1 1 86 86 PHE CD2 C 13 131.00 0.3 . 1 . . . . . . . . 6342 1 858 . 1 1 86 86 PHE CE1 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 859 . 1 1 86 86 PHE CE2 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 860 . 1 1 86 86 PHE N N 15 119.30 0.3 . 1 . . . . . . . . 6342 1 861 . 1 1 87 87 LEU H H 1 7.11 0.03 . 1 . . . . . . . . 6342 1 862 . 1 1 87 87 LEU HA H 1 3.73 0.03 . 1 . . . . . . . . 6342 1 863 . 1 1 87 87 LEU HB2 H 1 1.71 0.03 . 2 . . . . . . . . 6342 1 864 . 1 1 87 87 LEU HB3 H 1 1.33 0.03 . 2 . . . . . . . . 6342 1 865 . 1 1 87 87 LEU HG H 1 1.43 0.03 . 1 . . . . . . . . 6342 1 866 . 1 1 87 87 LEU HD11 H 1 0.68 0.03 . 2 . . . . . . . . 6342 1 867 . 1 1 87 87 LEU HD12 H 1 0.68 0.03 . 2 . . . . . . . . 6342 1 868 . 1 1 87 87 LEU HD13 H 1 0.68 0.03 . 2 . . . . . . . . 6342 1 869 . 1 1 87 87 LEU HD21 H 1 0.55 0.03 . 2 . . . . . . . . 6342 1 870 . 1 1 87 87 LEU HD22 H 1 0.55 0.03 . 2 . . . . . . . . 6342 1 871 . 1 1 87 87 LEU HD23 H 1 0.55 0.03 . 2 . . . . . . . . 6342 1 872 . 1 1 87 87 LEU C C 13 176.907 0.3 . 1 . . . . . . . . 6342 1 873 . 1 1 87 87 LEU CA C 13 56.00 0.3 . 1 . . . . . . . . 6342 1 874 . 1 1 87 87 LEU CB C 13 41.40 0.3 . 1 . . . . . . . . 6342 1 875 . 1 1 87 87 LEU CG C 13 26.50 0.3 . 1 . . . . . . . . 6342 1 876 . 1 1 87 87 LEU CD1 C 13 25.60 0.3 . 1 . . . . . . . . 6342 1 877 . 1 1 87 87 LEU CD2 C 13 21.70 0.3 . 1 . . . . . . . . 6342 1 878 . 1 1 87 87 LEU N N 15 115.90 0.3 . 1 . . . . . . . . 6342 1 879 . 1 1 88 88 SER H H 1 7.15 0.03 . 1 . . . . . . . . 6342 1 880 . 1 1 88 88 SER HA H 1 4.36 0.03 . 1 . . . . . . . . 6342 1 881 . 1 1 88 88 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 6342 1 882 . 1 1 88 88 SER C C 13 180.701 0.3 . 1 . . . . . . . . 6342 1 883 . 1 1 88 88 SER CA C 13 58.10 0.3 . 1 . . . . . . . . 6342 1 884 . 1 1 88 88 SER CB C 13 63.80 0.3 . 1 . . . . . . . . 6342 1 885 . 1 1 88 88 SER N N 15 111.00 0.3 . 1 . . . . . . . . 6342 1 886 . 1 1 89 89 VAL H H 1 7.06 0.03 . 1 . . . . . . . . 6342 1 887 . 1 1 89 89 VAL HA H 1 3.75 0.03 . 1 . . . . . . . . 6342 1 888 . 1 1 89 89 VAL HB H 1 1.89 0.03 . 1 . . . . . . . . 6342 1 889 . 1 1 89 89 VAL HG11 H 1 0.98 0.03 . 2 . . . . . . . . 6342 1 890 . 1 1 89 89 VAL HG12 H 1 0.98 0.03 . 2 . . . . . . . . 6342 1 891 . 1 1 89 89 VAL HG13 H 1 0.98 0.03 . 2 . . . . . . . . 6342 1 892 . 1 1 89 89 VAL HG21 H 1 0.96 0.03 . 2 . . . . . . . . 6342 1 893 . 1 1 89 89 VAL HG22 H 1 0.96 0.03 . 2 . . . . . . . . 6342 1 894 . 1 1 89 89 VAL HG23 H 1 0.96 0.03 . 2 . . . . . . . . 6342 1 895 . 1 1 89 89 VAL CA C 13 63.50 0.3 . 1 . . . . . . . . 6342 1 896 . 1 1 89 89 VAL CB C 13 31.00 0.3 . 1 . . . . . . . . 6342 1 897 . 1 1 89 89 VAL CG1 C 13 21.70 0.3 . 1 . . . . . . . . 6342 1 898 . 1 1 89 89 VAL CG2 C 13 22.30 0.3 . 1 . . . . . . . . 6342 1 899 . 1 1 89 89 VAL N N 15 123.40 0.3 . 1 . . . . . . . . 6342 1 900 . 1 1 90 90 LYS HA H 1 4.34 0.03 . 1 . . . . . . . . 6342 1 901 . 1 1 91 91 LYS H H 1 7.17 0.03 . 1 . . . . . . . . 6342 1 902 . 1 1 91 91 LYS HA H 1 4.43 0.03 . 1 . . . . . . . . 6342 1 903 . 1 1 91 91 LYS HB2 H 1 1.91 0.03 . 2 . . . . . . . . 6342 1 904 . 1 1 91 91 LYS HB3 H 1 1.51 0.03 . 2 . . . . . . . . 6342 1 905 . 1 1 91 91 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 6342 1 906 . 1 1 91 91 LYS HG3 H 1 1.36 0.03 . 2 . . . . . . . . 6342 1 907 . 1 1 91 91 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 6342 1 908 . 1 1 91 91 LYS HD3 H 1 1.56 0.03 . 2 . . . . . . . . 6342 1 909 . 1 1 91 91 LYS CA C 13 55.20 0.3 . 1 . . . . . . . . 6342 1 910 . 1 1 91 91 LYS CB C 13 34.80 0.3 . 1 . . . . . . . . 6342 1 911 . 1 1 91 91 LYS CG C 13 25.00 0.3 . 1 . . . . . . . . 6342 1 912 . 1 1 91 91 LYS CD C 13 29.80 0.3 . 1 . . . . . . . . 6342 1 913 . 1 1 91 91 LYS CE C 13 41.60 0.3 . 1 . . . . . . . . 6342 1 914 . 1 1 91 91 LYS N N 15 118.70 0.3 . 1 . . . . . . . . 6342 1 915 . 1 1 92 92 GLN H H 1 8.59 0.03 . 1 . . . . . . . . 6342 1 916 . 1 1 92 92 GLN HA H 1 4.36 0.03 . 1 . . . . . . . . 6342 1 917 . 1 1 92 92 GLN HB2 H 1 2.41 0.03 . 2 . . . . . . . . 6342 1 918 . 1 1 92 92 GLN HB3 H 1 1.93 0.03 . 2 . . . . . . . . 6342 1 919 . 1 1 92 92 GLN HG2 H 1 2.54 0.03 . 2 . . . . . . . . 6342 1 920 . 1 1 92 92 GLN C C 13 177.44 0.3 . 1 . . . . . . . . 6342 1 921 . 1 1 92 92 GLN CA C 13 55.20 0.3 . 1 . . . . . . . . 6342 1 922 . 1 1 92 92 GLN CB C 13 28.90 0.3 . 1 . . . . . . . . 6342 1 923 . 1 1 92 92 GLN CG C 13 33.90 0.3 . 1 . . . . . . . . 6342 1 924 . 1 1 92 92 GLN N N 15 118.50 0.3 . 1 . . . . . . . . 6342 1 925 . 1 1 93 93 PHE H H 1 8.70 0.03 . 1 . . . . . . . . 6342 1 926 . 1 1 93 93 PHE HA H 1 4.11 0.03 . 1 . . . . . . . . 6342 1 927 . 1 1 93 93 PHE HB2 H 1 3.48 0.03 . 2 . . . . . . . . 6342 1 928 . 1 1 93 93 PHE HB3 H 1 2.99 0.03 . 2 . . . . . . . . 6342 1 929 . 1 1 93 93 PHE HD1 H 1 7.18 0.03 . 1 . . . . . . . . 6342 1 930 . 1 1 93 93 PHE HD2 H 1 7.18 0.03 . 1 . . . . . . . . 6342 1 931 . 1 1 93 93 PHE HE1 H 1 6.90 0.03 . 1 . . . . . . . . 6342 1 932 . 1 1 93 93 PHE HE2 H 1 6.90 0.03 . 1 . . . . . . . . 6342 1 933 . 1 1 93 93 PHE HZ H 1 6.74 0.03 . 1 . . . . . . . . 6342 1 934 . 1 1 93 93 PHE C C 13 178.382 0.3 . 1 . . . . . . . . 6342 1 935 . 1 1 93 93 PHE CA C 13 62.00 0.3 . 1 . . . . . . . . 6342 1 936 . 1 1 93 93 PHE CB C 13 39.60 0.3 . 1 . . . . . . . . 6342 1 937 . 1 1 93 93 PHE CD1 C 13 131.60 0.3 . 1 . . . . . . . . 6342 1 938 . 1 1 93 93 PHE CD2 C 13 131.60 0.3 . 1 . . . . . . . . 6342 1 939 . 1 1 93 93 PHE CE1 C 13 130.40 0.3 . 1 . . . . . . . . 6342 1 940 . 1 1 93 93 PHE CE2 C 13 130.40 0.3 . 1 . . . . . . . . 6342 1 941 . 1 1 93 93 PHE CZ C 13 129.20 0.3 . 1 . . . . . . . . 6342 1 942 . 1 1 93 93 PHE N N 15 122.80 0.3 . 1 . . . . . . . . 6342 1 943 . 1 1 94 94 GLU H H 1 9.25 0.03 . 1 . . . . . . . . 6342 1 944 . 1 1 94 94 GLU HA H 1 3.72 0.03 . 1 . . . . . . . . 6342 1 945 . 1 1 94 94 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 946 . 1 1 94 94 GLU HG2 H 1 2.31 0.03 . 2 . . . . . . . . 6342 1 947 . 1 1 94 94 GLU C C 13 177.352 0.3 . 1 . . . . . . . . 6342 1 948 . 1 1 94 94 GLU CA C 13 59.20 0.3 . 1 . . . . . . . . 6342 1 949 . 1 1 94 94 GLU CB C 13 28.90 0.3 . 1 . . . . . . . . 6342 1 950 . 1 1 94 94 GLU CG C 13 37.50 0.3 . 1 . . . . . . . . 6342 1 951 . 1 1 94 94 GLU N N 15 111.30 0.3 . 1 . . . . . . . . 6342 1 952 . 1 1 95 95 GLU H H 1 7.86 0.03 . 1 . . . . . . . . 6342 1 953 . 1 1 95 95 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 6342 1 954 . 1 1 95 95 GLU HB2 H 1 2.24 0.03 . 2 . . . . . . . . 6342 1 955 . 1 1 95 95 GLU HG2 H 1 2.27 0.03 . 2 . . . . . . . . 6342 1 956 . 1 1 95 95 GLU C C 13 177.393 0.3 . 1 . . . . . . . . 6342 1 957 . 1 1 95 95 GLU CA C 13 55.50 0.3 . 1 . . . . . . . . 6342 1 958 . 1 1 95 95 GLU CB C 13 31.00 0.3 . 1 . . . . . . . . 6342 1 959 . 1 1 95 95 GLU CG C 13 36.90 0.3 . 1 . . . . . . . . 6342 1 960 . 1 1 95 95 GLU N N 15 115.70 0.3 . 1 . . . . . . . . 6342 1 961 . 1 1 96 96 LEU H H 1 7.42 0.03 . 1 . . . . . . . . 6342 1 962 . 1 1 96 96 LEU HA H 1 4.17 0.03 . 1 . . . . . . . . 6342 1 963 . 1 1 96 96 LEU HB2 H 1 1.82 0.03 . 2 . . . . . . . . 6342 1 964 . 1 1 96 96 LEU HB3 H 1 1.31 0.03 . 2 . . . . . . . . 6342 1 965 . 1 1 96 96 LEU HG H 1 1.78 0.03 . 1 . . . . . . . . 6342 1 966 . 1 1 96 96 LEU HD11 H 1 0.88 0.03 . 2 . . . . . . . . 6342 1 967 . 1 1 96 96 LEU HD12 H 1 0.88 0.03 . 2 . . . . . . . . 6342 1 968 . 1 1 96 96 LEU HD13 H 1 0.88 0.03 . 2 . . . . . . . . 6342 1 969 . 1 1 96 96 LEU HD21 H 1 0.79 0.03 . 2 . . . . . . . . 6342 1 970 . 1 1 96 96 LEU HD22 H 1 0.79 0.03 . 2 . . . . . . . . 6342 1 971 . 1 1 96 96 LEU HD23 H 1 0.79 0.03 . 2 . . . . . . . . 6342 1 972 . 1 1 96 96 LEU C C 13 177.631 0.3 . 1 . . . . . . . . 6342 1 973 . 1 1 96 96 LEU CA C 13 55.50 0.3 . 1 . . . . . . . . 6342 1 974 . 1 1 96 96 LEU CB C 13 42.60 0.3 . 1 . . . . . . . . 6342 1 975 . 1 1 96 96 LEU CG C 13 26.50 0.3 . 1 . . . . . . . . 6342 1 976 . 1 1 96 96 LEU CD1 C 13 25.90 0.3 . 1 . . . . . . . . 6342 1 977 . 1 1 96 96 LEU CD2 C 13 23.80 0.3 . 1 . . . . . . . . 6342 1 978 . 1 1 96 96 LEU N N 15 121.30 0.3 . 1 . . . . . . . . 6342 1 979 . 1 1 97 97 THR H H 1 8.64 0.03 . 1 . . . . . . . . 6342 1 980 . 1 1 97 97 THR HB H 1 4.62 0.03 . 1 . . . . . . . . 6342 1 981 . 1 1 97 97 THR HG21 H 1 1.17 0.03 . 1 . . . . . . . . 6342 1 982 . 1 1 97 97 THR HG22 H 1 1.17 0.03 . 1 . . . . . . . . 6342 1 983 . 1 1 97 97 THR HG23 H 1 1.17 0.03 . 1 . . . . . . . . 6342 1 984 . 1 1 97 97 THR C C 13 178.094 0.3 . 1 . . . . . . . . 6342 1 985 . 1 1 97 97 THR CA C 13 59.951 0.3 . 1 . . . . . . . . 6342 1 986 . 1 1 97 97 THR CB C 13 70.70 0.3 . 1 . . . . . . . . 6342 1 987 . 1 1 97 97 THR CG2 C 13 22.00 0.3 . 1 . . . . . . . . 6342 1 988 . 1 1 97 97 THR N N 15 110.80 0.3 . 1 . . . . . . . . 6342 1 989 . 1 1 98 98 LEU H H 1 8.71 0.03 . 1 . . . . . . . . 6342 1 990 . 1 1 98 98 LEU HA H 1 3.76 0.03 . 1 . . . . . . . . 6342 1 991 . 1 1 98 98 LEU HB2 H 1 1.54 0.03 . 2 . . . . . . . . 6342 1 992 . 1 1 98 98 LEU HB3 H 1 0.96 0.03 . 2 . . . . . . . . 6342 1 993 . 1 1 98 98 LEU HG H 1 0.93 0.03 . 1 . . . . . . . . 6342 1 994 . 1 1 98 98 LEU HD11 H 1 0.20 0.03 . 2 . . . . . . . . 6342 1 995 . 1 1 98 98 LEU HD12 H 1 0.20 0.03 . 2 . . . . . . . . 6342 1 996 . 1 1 98 98 LEU HD13 H 1 0.20 0.03 . 2 . . . . . . . . 6342 1 997 . 1 1 98 98 LEU HD21 H 1 0.09 0.03 . 2 . . . . . . . . 6342 1 998 . 1 1 98 98 LEU HD22 H 1 0.09 0.03 . 2 . . . . . . . . 6342 1 999 . 1 1 98 98 LEU HD23 H 1 0.09 0.03 . 2 . . . . . . . . 6342 1 1000 . 1 1 98 98 LEU CA C 13 57.00 0.3 . 1 . . . . . . . . 6342 1 1001 . 1 1 98 98 LEU CB C 13 40.50 0.3 . 1 . . . . . . . . 6342 1 1002 . 1 1 98 98 LEU CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 1003 . 1 1 98 98 LEU CD1 C 13 22.90 0.3 . 1 . . . . . . . . 6342 1 1004 . 1 1 98 98 LEU CD2 C 13 23.80 0.3 . 1 . . . . . . . . 6342 1 1005 . 1 1 98 98 LEU N N 15 123.40 0.3 . 1 . . . . . . . . 6342 1 1006 . 1 1 99 99 GLY H H 1 9.02 0.03 . 1 . . . . . . . . 6342 1 1007 . 1 1 99 99 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . 6342 1 1008 . 1 1 99 99 GLY HA3 H 1 3.75 0.03 . 2 . . . . . . . . 6342 1 1009 . 1 1 99 99 GLY CA C 13 46.80 0.3 . 1 . . . . . . . . 6342 1 1010 . 1 1 99 99 GLY N N 15 104.10 0.3 . 1 . . . . . . . . 6342 1 1011 . 1 1 100 100 GLU H H 1 7.81 0.03 . 1 . . . . . . . . 6342 1 1012 . 1 1 100 100 GLU HA H 1 3.97 0.03 . 1 . . . . . . . . 6342 1 1013 . 1 1 100 100 GLU HB2 H 1 2.37 0.03 . 2 . . . . . . . . 6342 1 1014 . 1 1 100 100 GLU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 6342 1 1015 . 1 1 100 100 GLU HG2 H 1 2.29 0.03 . 2 . . . . . . . . 6342 1 1016 . 1 1 100 100 GLU C C 13 175.162 0.3 . 1 . . . . . . . . 6342 1 1017 . 1 1 100 100 GLU CA C 13 58.70 0.3 . 1 . . . . . . . . 6342 1 1018 . 1 1 100 100 GLU CB C 13 30.70 0.3 . 1 . . . . . . . . 6342 1 1019 . 1 1 100 100 GLU CG C 13 37.20 0.3 . 1 . . . . . . . . 6342 1 1020 . 1 1 100 100 GLU N N 15 122.10 0.3 . 1 . . . . . . . . 6342 1 1021 . 1 1 101 101 PHE H H 1 9.09 0.03 . 1 . . . . . . . . 6342 1 1022 . 1 1 101 101 PHE HA H 1 4.00 0.03 . 1 . . . . . . . . 6342 1 1023 . 1 1 101 101 PHE HB2 H 1 2.87 0.03 . 2 . . . . . . . . 6342 1 1024 . 1 1 101 101 PHE HD1 H 1 6.48 0.03 . 1 . . . . . . . . 6342 1 1025 . 1 1 101 101 PHE HD2 H 1 6.48 0.03 . 1 . . . . . . . . 6342 1 1026 . 1 1 101 101 PHE HE1 H 1 5.49 0.03 . 1 . . . . . . . . 6342 1 1027 . 1 1 101 101 PHE HE2 H 1 5.49 0.03 . 1 . . . . . . . . 6342 1 1028 . 1 1 101 101 PHE HZ H 1 5.68 0.03 . 1 . . . . . . . . 6342 1 1029 . 1 1 101 101 PHE C C 13 178.237 0.3 . 1 . . . . . . . . 6342 1 1030 . 1 1 101 101 PHE CA C 13 61.40 0.3 . 1 . . . . . . . . 6342 1 1031 . 1 1 101 101 PHE CB C 13 39.30 0.3 . 1 . . . . . . . . 6342 1 1032 . 1 1 101 101 PHE CD1 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 1033 . 1 1 101 101 PHE CD2 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 1034 . 1 1 101 101 PHE CE1 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 1035 . 1 1 101 101 PHE CE2 C 13 130.10 0.3 . 1 . . . . . . . . 6342 1 1036 . 1 1 101 101 PHE CZ C 13 128.00 0.3 . 1 . . . . . . . . 6342 1 1037 . 1 1 101 101 PHE N N 15 121.20 0.3 . 1 . . . . . . . . 6342 1 1038 . 1 1 102 102 LEU H H 1 8.92 0.03 . 1 . . . . . . . . 6342 1 1039 . 1 1 102 102 LEU HA H 1 3.71 0.03 . 1 . . . . . . . . 6342 1 1040 . 1 1 102 102 LEU HB2 H 1 1.92 0.03 . 2 . . . . . . . . 6342 1 1041 . 1 1 102 102 LEU HB3 H 1 1.49 0.03 . 2 . . . . . . . . 6342 1 1042 . 1 1 102 102 LEU HG H 1 2.01 0.03 . 1 . . . . . . . . 6342 1 1043 . 1 1 102 102 LEU HD11 H 1 0.97 0.03 . 2 . . . . . . . . 6342 1 1044 . 1 1 102 102 LEU HD12 H 1 0.97 0.03 . 2 . . . . . . . . 6342 1 1045 . 1 1 102 102 LEU HD13 H 1 0.97 0.03 . 2 . . . . . . . . 6342 1 1046 . 1 1 102 102 LEU HD21 H 1 0.95 0.03 . 2 . . . . . . . . 6342 1 1047 . 1 1 102 102 LEU HD22 H 1 0.95 0.03 . 2 . . . . . . . . 6342 1 1048 . 1 1 102 102 LEU HD23 H 1 0.95 0.03 . 2 . . . . . . . . 6342 1 1049 . 1 1 102 102 LEU C C 13 174.324 0.3 . 1 . . . . . . . . 6342 1 1050 . 1 1 102 102 LEU CA C 13 57.90 0.3 . 1 . . . . . . . . 6342 1 1051 . 1 1 102 102 LEU CB C 13 40.50 0.3 . 1 . . . . . . . . 6342 1 1052 . 1 1 102 102 LEU CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 1053 . 1 1 102 102 LEU CD1 C 13 25.30 0.3 . 1 . . . . . . . . 6342 1 1054 . 1 1 102 102 LEU CD2 C 13 22.30 0.3 . 1 . . . . . . . . 6342 1 1055 . 1 1 102 102 LEU N N 15 118.50 0.3 . 1 . . . . . . . . 6342 1 1056 . 1 1 103 103 LYS H H 1 7.32 0.03 . 1 . . . . . . . . 6342 1 1057 . 1 1 103 103 LYS HA H 1 4.03 0.03 . 1 . . . . . . . . 6342 1 1058 . 1 1 103 103 LYS C C 13 174.929 0.3 . 1 . . . . . . . . 6342 1 1059 . 1 1 103 103 LYS N N 15 119.00 0.3 . 1 . . . . . . . . 6342 1 1060 . 1 1 104 104 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 6342 1 1061 . 1 1 104 104 LEU HA H 1 4.38 0.03 . 1 . . . . . . . . 6342 1 1062 . 1 1 104 104 LEU HB2 H 1 2.26 0.03 . 2 . . . . . . . . 6342 1 1063 . 1 1 104 104 LEU HB3 H 1 1.74 0.03 . 2 . . . . . . . . 6342 1 1064 . 1 1 104 104 LEU HG H 1 1.95 0.03 . 1 . . . . . . . . 6342 1 1065 . 1 1 104 104 LEU HD11 H 1 1.03 0.03 . 2 . . . . . . . . 6342 1 1066 . 1 1 104 104 LEU HD12 H 1 1.03 0.03 . 2 . . . . . . . . 6342 1 1067 . 1 1 104 104 LEU HD13 H 1 1.03 0.03 . 2 . . . . . . . . 6342 1 1068 . 1 1 104 104 LEU HD21 H 1 0.86 0.03 . 2 . . . . . . . . 6342 1 1069 . 1 1 104 104 LEU HD22 H 1 0.86 0.03 . 2 . . . . . . . . 6342 1 1070 . 1 1 104 104 LEU HD23 H 1 0.86 0.03 . 2 . . . . . . . . 6342 1 1071 . 1 1 104 104 LEU C C 13 179.06 0.3 . 1 . . . . . . . . 6342 1 1072 . 1 1 104 104 LEU CA C 13 57.80 0.3 . 1 . . . . . . . . 6342 1 1073 . 1 1 104 104 LEU CB C 13 42.00 0.3 . 1 . . . . . . . . 6342 1 1074 . 1 1 104 104 LEU CG C 13 27.10 0.3 . 1 . . . . . . . . 6342 1 1075 . 1 1 104 104 LEU CD1 C 13 26.20 0.3 . 1 . . . . . . . . 6342 1 1076 . 1 1 104 104 LEU CD2 C 13 23.20 0.3 . 1 . . . . . . . . 6342 1 1077 . 1 1 104 104 LEU N N 15 121.80 0.3 . 1 . . . . . . . . 6342 1 1078 . 1 1 105 105 ASP H H 1 8.75 0.03 . 1 . . . . . . . . 6342 1 1079 . 1 1 105 105 ASP HA H 1 4.56 0.03 . 1 . . . . . . . . 6342 1 1080 . 1 1 105 105 ASP HB2 H 1 2.38 0.03 . 2 . . . . . . . . 6342 1 1081 . 1 1 105 105 ASP HB3 H 1 1.93 0.03 . 2 . . . . . . . . 6342 1 1082 . 1 1 105 105 ASP CA C 13 57.50 0.3 . 1 . . . . . . . . 6342 1 1083 . 1 1 105 105 ASP CB C 13 41.70 0.3 . 1 . . . . . . . . 6342 1 1084 . 1 1 105 105 ASP N N 15 119.50 0.3 . 1 . . . . . . . . 6342 1 1085 . 1 1 106 106 ARG H H 1 7.79 0.03 . 1 . . . . . . . . 6342 1 1086 . 1 1 106 106 ARG HA H 1 4.12 0.03 . 1 . . . . . . . . 6342 1 1087 . 1 1 106 106 ARG HB2 H 1 2.08 0.03 . 2 . . . . . . . . 6342 1 1088 . 1 1 106 106 ARG HB3 H 1 1.99 0.03 . 2 . . . . . . . . 6342 1 1089 . 1 1 106 106 ARG HG2 H 1 1.93 0.03 . 2 . . . . . . . . 6342 1 1090 . 1 1 106 106 ARG HG3 H 1 1.71 0.03 . 2 . . . . . . . . 6342 1 1091 . 1 1 106 106 ARG HD2 H 1 3.26 0.03 . 2 . . . . . . . . 6342 1 1092 . 1 1 106 106 ARG C C 13 175.447 0.3 . 1 . . . . . . . . 6342 1 1093 . 1 1 106 106 ARG CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 1094 . 1 1 106 106 ARG CB C 13 30.10 0.3 . 1 . . . . . . . . 6342 1 1095 . 1 1 106 106 ARG CG C 13 27.40 0.3 . 1 . . . . . . . . 6342 1 1096 . 1 1 106 106 ARG CD C 13 43.50 0.3 . 1 . . . . . . . . 6342 1 1097 . 1 1 106 106 ARG N N 15 118.00 0.3 . 1 . . . . . . . . 6342 1 1098 . 1 1 107 107 GLU H H 1 7.82 0.03 . 1 . . . . . . . . 6342 1 1099 . 1 1 107 107 GLU HA H 1 4.13 0.03 . 1 . . . . . . . . 6342 1 1100 . 1 1 107 107 GLU HB2 H 1 2.39 0.03 . 2 . . . . . . . . 6342 1 1101 . 1 1 107 107 GLU HG2 H 1 2.49 0.03 . 2 . . . . . . . . 6342 1 1102 . 1 1 107 107 GLU C C 13 176.943 0.3 . 1 . . . . . . . . 6342 1 1103 . 1 1 107 107 GLU CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 1104 . 1 1 107 107 GLU CB C 13 28.90 0.3 . 1 . . . . . . . . 6342 1 1105 . 1 1 107 107 GLU CG C 13 35.70 0.3 . 1 . . . . . . . . 6342 1 1106 . 1 1 107 107 GLU N N 15 121.30 0.3 . 1 . . . . . . . . 6342 1 1107 . 1 1 108 108 ARG H H 1 8.34 0.03 . 1 . . . . . . . . 6342 1 1108 . 1 1 108 108 ARG HA H 1 3.43 0.03 . 1 . . . . . . . . 6342 1 1109 . 1 1 108 108 ARG HB2 H 1 2.07 0.03 . 2 . . . . . . . . 6342 1 1110 . 1 1 108 108 ARG HB3 H 1 1.06 0.03 . 2 . . . . . . . . 6342 1 1111 . 1 1 108 108 ARG HG2 H 1 1.68 0.03 . 2 . . . . . . . . 6342 1 1112 . 1 1 108 108 ARG HG3 H 1 1.57 0.03 . 2 . . . . . . . . 6342 1 1113 . 1 1 108 108 ARG HD2 H 1 3.19 0.03 . 2 . . . . . . . . 6342 1 1114 . 1 1 108 108 ARG HD3 H 1 2.94 0.03 . 2 . . . . . . . . 6342 1 1115 . 1 1 108 108 ARG CA C 13 59.30 0.3 . 1 . . . . . . . . 6342 1 1116 . 1 1 108 108 ARG CB C 13 29.20 0.3 . 1 . . . . . . . . 6342 1 1117 . 1 1 108 108 ARG CG C 13 28.00 0.3 . 1 . . . . . . . . 6342 1 1118 . 1 1 108 108 ARG CD C 13 43.80 0.3 . 1 . . . . . . . . 6342 1 1119 . 1 1 108 108 ARG N N 15 121.80 0.3 . 1 . . . . . . . . 6342 1 1120 . 1 1 109 109 ALA H H 1 8.09 0.03 . 1 . . . . . . . . 6342 1 1121 . 1 1 109 109 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . 6342 1 1122 . 1 1 109 109 ALA HB1 H 1 1.53 0.03 . 1 . . . . . . . . 6342 1 1123 . 1 1 109 109 ALA HB2 H 1 1.53 0.03 . 1 . . . . . . . . 6342 1 1124 . 1 1 109 109 ALA HB3 H 1 1.53 0.03 . 1 . . . . . . . . 6342 1 1125 . 1 1 109 109 ALA C C 13 173.825 0.3 . 1 . . . . . . . . 6342 1 1126 . 1 1 109 109 ALA CA C 13 54.90 0.3 . 1 . . . . . . . . 6342 1 1127 . 1 1 109 109 ALA CB C 13 17.50 0.3 . 1 . . . . . . . . 6342 1 1128 . 1 1 109 109 ALA N N 15 120.30 0.3 . 1 . . . . . . . . 6342 1 1129 . 1 1 110 110 LYS H H 1 7.69 0.03 . 1 . . . . . . . . 6342 1 1130 . 1 1 110 110 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 6342 1 1131 . 1 1 110 110 LYS HB2 H 1 2.00 0.03 . 2 . . . . . . . . 6342 1 1132 . 1 1 110 110 LYS HG2 H 1 1.65 0.03 . 2 . . . . . . . . 6342 1 1133 . 1 1 110 110 LYS HG3 H 1 1.44 0.03 . 2 . . . . . . . . 6342 1 1134 . 1 1 110 110 LYS HD2 H 1 1.71 0.03 . 2 . . . . . . . . 6342 1 1135 . 1 1 110 110 LYS C C 13 175.105 0.3 . 1 . . . . . . . . 6342 1 1136 . 1 1 110 110 LYS CA C 13 59.30 0.3 . 1 . . . . . . . . 6342 1 1137 . 1 1 110 110 LYS CB C 13 31.60 0.3 . 1 . . . . . . . . 6342 1 1138 . 1 1 110 110 LYS CG C 13 25.00 0.3 . 1 . . . . . . . . 6342 1 1139 . 1 1 110 110 LYS CD C 13 29.20 0.3 . 1 . . . . . . . . 6342 1 1140 . 1 1 110 110 LYS CE C 13 41.70 0.3 . 1 . . . . . . . . 6342 1 1141 . 1 1 110 110 LYS N N 15 119.30 0.3 . 1 . . . . . . . . 6342 1 1142 . 1 1 111 111 ASN H H 1 8.44 0.03 . 1 . . . . . . . . 6342 1 1143 . 1 1 111 111 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 6342 1 1144 . 1 1 111 111 ASN HB2 H 1 3.50 0.03 . 2 . . . . . . . . 6342 1 1145 . 1 1 111 111 ASN HB3 H 1 2.84 0.03 . 2 . . . . . . . . 6342 1 1146 . 1 1 111 111 ASN C C 13 176.772 0.3 . 1 . . . . . . . . 6342 1 1147 . 1 1 111 111 ASN CA C 13 54.90 0.3 . 1 . . . . . . . . 6342 1 1148 . 1 1 111 111 ASN CB C 13 37.20 0.3 . 1 . . . . . . . . 6342 1 1149 . 1 1 111 111 ASN N N 15 120.60 0.3 . 1 . . . . . . . . 6342 1 1150 . 1 1 112 112 LYS H H 1 8.33 0.03 . 1 . . . . . . . . 6342 1 1151 . 1 1 112 112 LYS HA H 1 2.97 0.03 . 1 . . . . . . . . 6342 1 1152 . 1 1 112 112 LYS HB2 H 1 1.82 0.03 . 2 . . . . . . . . 6342 1 1153 . 1 1 112 112 LYS HB3 H 1 1.44 0.03 . 2 . . . . . . . . 6342 1 1154 . 1 1 112 112 LYS HG2 H 1 1.03 0.03 . 2 . . . . . . . . 6342 1 1155 . 1 1 112 112 LYS HG3 H 1 0.66 0.03 . 2 . . . . . . . . 6342 1 1156 . 1 1 112 112 LYS HD2 H 1 1.34 0.03 . 2 . . . . . . . . 6342 1 1157 . 1 1 112 112 LYS C C 13 176.581 0.3 . 1 . . . . . . . . 6342 1 1158 . 1 1 112 112 LYS CA C 13 59.00 0.3 . 1 . . . . . . . . 6342 1 1159 . 1 1 112 112 LYS CB C 13 32.20 0.3 . 1 . . . . . . . . 6342 1 1160 . 1 1 112 112 LYS CG C 13 24.20 0.3 . 1 . . . . . . . . 6342 1 1161 . 1 1 112 112 LYS CD C 13 28.60 0.3 . 1 . . . . . . . . 6342 1 1162 . 1 1 112 112 LYS CE C 13 41.70 0.3 . 1 . . . . . . . . 6342 1 1163 . 1 1 112 112 LYS N N 15 123.60 0.3 . 1 . . . . . . . . 6342 1 1164 . 1 1 113 113 ILE H H 1 7.54 0.03 . 1 . . . . . . . . 6342 1 1165 . 1 1 113 113 ILE HA H 1 3.80 0.03 . 1 . . . . . . . . 6342 1 1166 . 1 1 113 113 ILE HB H 1 1.86 0.03 . 1 . . . . . . . . 6342 1 1167 . 1 1 113 113 ILE HG12 H 1 1.20 0.03 . 1 . . . . . . . . 6342 1 1168 . 1 1 113 113 ILE HG13 H 1 1.60 0.03 . 2 . . . . . . . . 6342 1 1169 . 1 1 113 113 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 6342 1 1170 . 1 1 113 113 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 6342 1 1171 . 1 1 113 113 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 6342 1 1172 . 1 1 113 113 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 6342 1 1173 . 1 1 113 113 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 6342 1 1174 . 1 1 113 113 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 6342 1 1175 . 1 1 113 113 ILE CA C 13 63.50 0.3 . 1 . . . . . . . . 6342 1 1176 . 1 1 113 113 ILE CB C 13 37.80 0.3 . 1 . . . . . . . . 6342 1 1177 . 1 1 113 113 ILE CG1 C 13 28.90 0.3 . 1 . . . . . . . . 6342 1 1178 . 1 1 113 113 ILE CG2 C 13 16.90 0.3 . 1 . . . . . . . . 6342 1 1179 . 1 1 113 113 ILE CD1 C 13 12.70 0.3 . 1 . . . . . . . . 6342 1 1180 . 1 1 113 113 ILE N N 15 118.50 0.3 . 1 . . . . . . . . 6342 1 1181 . 1 1 114 114 ALA H H 1 7.96 0.03 . 1 . . . . . . . . 6342 1 1182 . 1 1 114 114 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 6342 1 1183 . 1 1 114 114 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 6342 1 1184 . 1 1 114 114 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 6342 1 1185 . 1 1 114 114 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 6342 1 1186 . 1 1 114 114 ALA C C 13 175.312 0.3 . 1 . . . . . . . . 6342 1 1187 . 1 1 114 114 ALA CA C 13 54.60 0.3 . 1 . . . . . . . . 6342 1 1188 . 1 1 114 114 ALA CB C 13 17.80 0.3 . 1 . . . . . . . . 6342 1 1189 . 1 1 114 114 ALA N N 15 123.40 0.3 . 1 . . . . . . . . 6342 1 1190 . 1 1 115 115 LYS H H 1 7.64 0.03 . 1 . . . . . . . . 6342 1 1191 . 1 1 115 115 LYS HA H 1 4.17 0.03 . 1 . . . . . . . . 6342 1 1192 . 1 1 115 115 LYS HB2 H 1 1.84 0.03 . 2 . . . . . . . . 6342 1 1193 . 1 1 115 115 LYS HG2 H 1 1.46 0.03 . 2 . . . . . . . . 6342 1 1194 . 1 1 115 115 LYS HD2 H 1 1.82 0.03 . 2 . . . . . . . . 6342 1 1195 . 1 1 115 115 LYS HD3 H 1 1.61 0.03 . 2 . . . . . . . . 6342 1 1196 . 1 1 115 115 LYS C C 13 176.415 0.3 . 1 . . . . . . . . 6342 1 1197 . 1 1 115 115 LYS CA C 13 57.20 0.3 . 1 . . . . . . . . 6342 1 1198 . 1 1 115 115 LYS CB C 13 31.90 0.3 . 1 . . . . . . . . 6342 1 1199 . 1 1 115 115 LYS CG C 13 24.40 0.3 . 1 . . . . . . . . 6342 1 1200 . 1 1 115 115 LYS CD C 13 28.90 0.3 . 1 . . . . . . . . 6342 1 1201 . 1 1 115 115 LYS CE C 13 42.00 0.3 . 1 . . . . . . . . 6342 1 1202 . 1 1 115 115 LYS N N 15 118.20 0.3 . 1 . . . . . . . . 6342 1 1203 . 1 1 116 116 GLU H H 1 7.94 0.03 . 1 . . . . . . . . 6342 1 1204 . 1 1 116 116 GLU HA H 1 4.16 0.03 . 1 . . . . . . . . 6342 1 1205 . 1 1 116 116 GLU HB2 H 1 2.03 0.03 . 2 . . . . . . . . 6342 1 1206 . 1 1 116 116 GLU HG2 H 1 2.36 0.03 . 2 . . . . . . . . 6342 1 1207 . 1 1 116 116 GLU C C 13 176.87 0.3 . 1 . . . . . . . . 6342 1 1208 . 1 1 116 116 GLU CA C 13 57.60 0.3 . 1 . . . . . . . . 6342 1 1209 . 1 1 116 116 GLU CB C 13 29.50 0.3 . 1 . . . . . . . . 6342 1 1210 . 1 1 116 116 GLU CG C 13 36.20 0.3 . 1 . . . . . . . . 6342 1 1211 . 1 1 116 116 GLU N N 15 118.00 0.3 . 1 . . . . . . . . 6342 1 1212 . 1 1 117 117 THR H H 1 7.93 0.03 . 1 . . . . . . . . 6342 1 1213 . 1 1 117 117 THR HA H 1 4.29 0.03 . 1 . . . . . . . . 6342 1 1214 . 1 1 117 117 THR HB H 1 4.28 0.03 . 1 . . . . . . . . 6342 1 1215 . 1 1 117 117 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 6342 1 1216 . 1 1 117 117 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 6342 1 1217 . 1 1 117 117 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 6342 1 1218 . 1 1 117 117 THR CA C 13 62.30 0.3 . 1 . . . . . . . . 6342 1 1219 . 1 1 117 117 THR CB C 13 69.40 0.3 . 1 . . . . . . . . 6342 1 1220 . 1 1 117 117 THR CG2 C 13 21.40 0.3 . 1 . . . . . . . . 6342 1 1221 . 1 1 117 117 THR N N 15 112.30 0.3 . 1 . . . . . . . . 6342 1 stop_ save_