data_6503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6503 _Entry.Title ; 1H, 13C, and 15N complete chemical shift assignments for the apo v-Src SH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-16 _Entry.Accession_date 2005-02-16 _Entry.Last_release_date 2005-10-24 _Entry.Original_release_date 2005-10-24 _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 Jonathan Taylor . D. . 6503 2 Mark Williams . A. . 6503 3 Abdessamad Ababou . . . 6503 4 John Ladbury . E. . 6503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 6503 '15N chemical shifts' 120 6503 '1H chemical shifts' 702 6503 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 . . 2005-10-24 2005-02-16 original author . 6503 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6503 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16211495 _Citation.Full_citation . _Citation.Title ; NMR Assignment of the Apo and Peptide-bound SH2 Domain from the Rous Sarcoma Viral Protein Src ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 339 _Citation.Page_last 339 _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 Jonathan Taylor . D. . 6503 1 2 Radwan Fawaz . R. . 6503 1 3 Abdessamad Ababou . . . 6503 1 4 Mark Williams . A. . 6503 1 5 John Ladbury . E. . 6503 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Rous sarcoma virus' 6503 1 RSV 6503 1 SH2 6503 1 'Src homolgy 2' 6503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_v-Src_SH2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_v-Src_SH2 _Assembly.Entry_ID 6503 _Assembly.ID 1 _Assembly.Name 'apo v-Src SH2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6503 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 'v-Src SH2' 1 $v-Src_SH2 . . . native . . . . . 6503 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'apo v-Src SH2' system 6503 1 'v-Src SH2' abbreviation 6503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_v-Src_SH2 _Entity.Sf_category entity _Entity.Sf_framecode v-Src_SH2 _Entity.Entry_ID 6503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'v-Src SH2 domain' _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 ; QAEEWYFGKITRRESERLLL NPENPRGTFLVRESETTKGA YCLSVSDFDNAKGLNVKHYK IRKLDSGGFYITSRTQFSSL QQLVAYYSKHADGLCHRLTN VCPTSK ; _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 106 _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 12168 _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 1A07 . "C-Src (Sh2 Domain) Complexed With Ace-Malonyl Tyr-Glu-(N,N- Dipentyl Amine)" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 2 no PDB 1A08 . "C-Src (Sh2 Domain) Complexed With Ace-Difluoro Phosphotyr- Glu-(N,N-Dipentyl Amine)" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 3 no PDB 1A09 . "C-Src (Sh2 Domain) Complexed With Ace-Formyl Phosphotyr-Glu- (N,N-Dipentyl Amine)" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 4 no PDB 1A1B . "C-Src (Sh2 Domain) Complexed With Ace-Phosphotyr-Glu-(N,N- Dipentyl Amine)" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 5 no PDB 1A1C . "C-Src (Sh2 Domain) Complexed With Ace-Phosphotyr-Glu-(N-Me(- (Ch2)3-Cyclopentyl))" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 6 no PDB 1A1E . "C-Src (Sh2 Domain) Complexed With Ace-Phosphotyr-Glu-(3- Butylpiperidine)" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 7 no PDB 1BKL . "Self-Associated Apo Src Sh2 Domain" . . . . . 99.06 113 99.05 99.05 1.03e-70 . . . . 6503 1 8 no PDB 1BKM . "Cocrystal Structure Of D-Amino Acid Substituted Phosphopeptide Complex" . . . . . 99.06 113 99.05 99.05 9.66e-71 . . . . 6503 1 9 no PDB 1F1W . "Src Sh2 Thref1trp Mutant Complexed With The Phosphopeptide S(Ptr)vnvqn" . . . . . 98.11 104 98.08 98.08 2.85e-69 . . . . 6503 1 10 no PDB 1F2F . "Src Sh2 Thref1trp Mutant" . . . . . 98.11 104 98.08 98.08 2.85e-69 . . . . 6503 1 11 no PDB 1FMK . "Crystal Structure Of Human Tyrosine-Protein Kinase C-Src" . . . . . 100.00 452 97.17 98.11 6.81e-66 . . . . 6503 1 12 no PDB 1HCS . "Nmr Structure Of The Human Src Sh2 Domain Complex" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 13 no PDB 1HCT . "Nmr Structure Of The Human Src Sh2 Domain Complex" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 14 no PDB 1IS0 . "Crystal Structure Of A Complex Of The Src Sh2 Domain With Conformationally Constrained Peptide Inhibitor" . . . . . 100.00 106 100.00 100.00 1.51e-72 . . . . 6503 1 15 no PDB 1KC2 . "Structure Of The Triple (Lys(Beta)d3ala, Asp(Beta)c8ala, Aspcd2ala) Mutant Of The Src Sh2 Domain Bound To The Pqpyeeipi Peptide" . . . . . 97.17 103 97.09 97.09 1.34e-67 . . . . 6503 1 16 no PDB 1KSW . "Structure Of Human C-Src Tyrosine Kinase (Thr338gly Mutant) In Complex With N6-Benzyl Adp" . . . . . 100.00 452 97.17 98.11 6.73e-66 . . . . 6503 1 17 no PDB 1NZL . "Crystal Structure Of Src Sh2 Domain Bound To Doubly Phosphorylated Peptide Pqpyepyipi" . . . . . 97.17 103 100.00 100.00 2.51e-70 . . . . 6503 1 18 no PDB 1NZV . "Crystal Structure Of Src Sh2 Domain Bound To Doubly Phosphorylated Peptide Pqpyipyvpa" . . . . . 97.17 103 100.00 100.00 2.51e-70 . . . . 6503 1 19 no PDB 1O41 . "Crystal Structure Of Sh2 In Complex With Ru78300." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 20 no PDB 1O42 . "Crystal Structure Of Sh2 In Complex With Ru81843." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 21 no PDB 1O43 . "Crystal Structure Of Sh2 In Complex With Ru82129." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 22 no PDB 1O44 . "Crystal Structure Of Sh2 In Complex With Ru85052" . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 23 no PDB 1O45 . "Crystal Structure Of Sh2 In Complex With Ru84687." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 24 no PDB 1O46 . "Crystal Structure Of Sh2 In Complex With Ru90395." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 25 no PDB 1O47 . "Crystal Structure Of Sh2 In Complex With Ru82209." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 26 no PDB 1O48 . "Crystal Structure Of Sh2 In Complex With Ru85053." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 27 no PDB 1O49 . "Crystal Structure Of Sh2 In Complex With Ru85493." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 28 no PDB 1O4A . "Crystal Structure Of Sh2 In Complex With Ru82197." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 29 no PDB 1O4B . "Crystal Structure Of Sh2 In Complex With Ru83876." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 30 no PDB 1O4D . "Crystal Structure Of Sh2 In Complex With Ru78262." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 31 no PDB 1O4E . "Crystal Structure Of Sh2 In Complex With Ru78299." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 32 no PDB 1O4H . "Crystal Structure Of Sh2 In Complex With Ru79072." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 33 no PDB 1O4I . "Crystal Structure Of Sh2 In Complex With Pas219." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 34 no PDB 1O4J . "Crystal Structure Of Sh2 In Complex With Iso24." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 35 no PDB 1O4K . "Crystal Structure Of Sh2 In Complex With Pasbn." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 36 no PDB 1O4L . "Crystal Structure Of Sh2 In Complex With Fragment2." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 37 no PDB 1O4M . "Crystal Structure Of Sh2 In Complex With Malonicacid." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 38 no PDB 1O4N . "Crystal Structure Of Sh2 In Complex With Oxalic Acid." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 39 no PDB 1O4O . "Crystal Structure Of Sh2 In Complex With Phenylphosphate." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 40 no PDB 1O4P . "Crystal Structure Of Sh2 In Complex With Ru78791." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 41 no PDB 1O4Q . "Crystal Structure Of Sh2 In Complex With Ru79256." . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 42 no PDB 1O4R . "Crystal Structure Of Sh2 In Complex With Ru78783" . . . . . 100.00 108 97.17 98.11 3.60e-70 . . . . 6503 1 43 no PDB 1P13 . "Crystal Structure Of The Src Sh2 Domain Complexed With Peptide (Sdpyanfk)" . . . . . 96.23 102 100.00 100.00 1.30e-69 . . . . 6503 1 44 no PDB 1SHA . "Crystal Structure Of The Phosphotyrosine Recognition Domain Sh2 Of V-Src Complexed With Tyrosine-Phosphorylated Peptides" . . . . . 98.11 104 100.00 100.00 3.67e-71 . . . . 6503 1 45 no PDB 1SHB . "Crystal Structure Of The Phosphotyrosine Recognition Domain Sh2 Of V-Src Complexed With Tyrosine-Phosphorylated Peptides" . . . . . 98.11 104 100.00 100.00 3.67e-71 . . . . 6503 1 46 no PDB 1SHD . "Peptide Inhibitors Of Src Sh3-Sh2-Phosphoprotein Interactions" . . . . . 97.17 107 97.09 98.06 3.41e-68 . . . . 6503 1 47 no PDB 1SKJ . "Cocrystal Structure Of Urea-Substituted Phosphopeptide Complex" . . . . . 99.06 113 100.00 100.00 1.20e-71 . . . . 6503 1 48 no PDB 1SPR . "Binding Of A High Affinity Phosphotyrosyl Peptide To The Src Sh2 Domain: Crystal Structures Of The Complexed And Peptide-Free F" . . . . . 98.11 104 100.00 100.00 3.67e-71 . . . . 6503 1 49 no PDB 1SPS . "Binding Of A High Affinity Phosphotyrosyl Peptide To The Src Sh2 Domain: Crystal Structures Of The Complexed And Peptide-Free F" . . . . . 98.11 104 100.00 100.00 3.67e-71 . . . . 6503 1 50 no PDB 1Y57 . "Structure Of Unphosphorylated C-Src In Complex With An Inhibitor" . . . . . 100.00 452 97.17 98.11 6.73e-66 . . . . 6503 1 51 no PDB 2H8H . "Src Kinase In Complex With A Quinazoline Inhibitor" . . . . . 100.00 535 97.17 98.11 2.24e-65 . . . . 6503 1 52 no PDB 2JYQ . "Nmr Structure Of The Apo V-Src Sh2 Domain" . . . . . 100.00 106 100.00 100.00 1.51e-72 . . . . 6503 1 53 no PDB 2PTK . "Chicken Src Tyrosine Kinase" . . . . . 100.00 453 100.00 100.00 1.58e-68 . . . . 6503 1 54 no PDB 2SRC . "Crystal Structure Of Human Tyrosine-protein Kinase C-src, In Complex With Amp-pnp" . . . . . 100.00 452 97.17 98.11 6.81e-66 . . . . 6503 1 55 no PDB 4K11 . "The Structure Of 1na In Complex With Src T338g" . . . . . 100.00 448 97.17 98.11 6.54e-66 . . . . 6503 1 56 no DBJ BAA01500 . "tyrosine kinase [Rous sarcoma virus - Schmidt-Ruppin D]" . . . . . 100.00 526 98.11 98.11 1.88e-66 . . . . 6503 1 57 no DBJ BAE26865 . "unnamed protein product [Mus musculus]" . . . . . 100.00 535 97.17 98.11 2.80e-65 . . . . 6503 1 58 no DBJ BAI47379 . "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [synthetic construct]" . . . . . 100.00 536 97.17 98.11 1.95e-65 . . . . 6503 1 59 no EMBL CAA23696 . "pp60-c-src protein [Gallus gallus]" . . . . . 100.00 533 100.00 100.00 4.95e-68 . . . . 6503 1 60 no EMBL CAA24495 . "src [Avian sarcoma virus]" . . . . . 100.00 526 100.00 100.00 4.56e-68 . . . . 6503 1 61 no EMBL CAA26485 . "c-src [Homo sapiens]" . . . . . 63.21 351 97.01 98.51 2.04e-37 . . . . 6503 1 62 no EMBL CAA32012 . "unnamed protein product [Avian sarcoma virus]" . . . . . 100.00 526 100.00 100.00 3.54e-68 . . . . 6503 1 63 no EMBL CAA36156 . "src protein [Avian sarcoma virus]" . . . . . 100.00 587 100.00 100.00 1.22e-67 . . . . 6503 1 64 no GB AAA40135 . "tyrosine-specific protein kinase [Mus musculus]" . . . . . 100.00 541 97.17 98.11 2.13e-65 . . . . 6503 1 65 no GB AAA42563 . "src-p60 phosphoprotein [Rous sarcoma virus]" . . . . . 100.00 526 100.00 100.00 4.56e-68 . . . . 6503 1 66 no GB AAA42565 . "src-p60 phosphoprotein [Rous sarcoma virus]" . . . . . 100.00 526 100.00 100.00 4.86e-68 . . . . 6503 1 67 no GB AAA42573 . "tyrosine-specific protein kinase [Rous sarcoma virus]" . . . . . 100.00 523 100.00 100.00 4.33e-68 . . . . 6503 1 68 no GB AAA42581 . "phosphoprotein p60 [Rous sarcoma virus]" . . . . . 100.00 523 99.06 99.06 2.68e-67 . . . . 6503 1 69 no PRF 0903255A . "protein v-src" . . . . . 100.00 772 100.00 100.00 2.56e-66 . . . . 6503 1 70 no REF NP_001020566 . "neuronal proto-oncogene tyrosine-protein kinase Src isoform 2 [Mus musculus]" . . . . . 100.00 535 97.17 98.11 3.01e-65 . . . . 6503 1 71 no REF NP_001104274 . "proto-oncogene tyrosine-protein kinase Src [Bos taurus]" . . . . . 100.00 542 97.17 98.11 3.18e-65 . . . . 6503 1 72 no REF NP_001248263 . "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Macaca mulatta]" . . . . . 100.00 536 97.17 98.11 2.08e-65 . . . . 6503 1 73 no REF NP_005408 . "proto-oncogene tyrosine-protein kinase Src [Homo sapiens]" . . . . . 100.00 536 97.17 98.11 1.95e-65 . . . . 6503 1 74 no REF NP_033297 . "neuronal proto-oncogene tyrosine-protein kinase Src isoform 1 [Mus musculus]" . . . . . 100.00 541 97.17 98.11 2.39e-65 . . . . 6503 1 75 no SP P00523 . "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" . . . . . 100.00 533 100.00 100.00 4.95e-68 . . . . 6503 1 76 no SP P00524 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src [Rous sarco" . . . . . 100.00 526 100.00 100.00 4.86e-68 . . . . 6503 1 77 no SP P00525 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src [Avian sarc" . . . . . 100.00 526 100.00 100.00 4.86e-68 . . . . 6503 1 78 no SP P05480 . "RecName: Full=Neuronal proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src;" . . . . . 100.00 541 97.17 98.11 2.39e-65 . . . . 6503 1 79 no SP P12931 . "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" . . . . . 100.00 536 97.17 98.11 1.95e-65 . . . . 6503 1 80 no TPG DAA23281 . "TPA: v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Bos taurus]" . . . . . 100.00 542 97.17 98.11 3.18e-65 . . . . 6503 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'v-Src SH2' abbreviation 6503 1 'v-Src SH2 domain' common 6503 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 . GLN . 6503 1 2 . ALA . 6503 1 3 . GLU . 6503 1 4 . GLU . 6503 1 5 . TRP . 6503 1 6 . TYR . 6503 1 7 . PHE . 6503 1 8 . GLY . 6503 1 9 . LYS . 6503 1 10 . ILE . 6503 1 11 . THR . 6503 1 12 . ARG . 6503 1 13 . ARG . 6503 1 14 . GLU . 6503 1 15 . SER . 6503 1 16 . GLU . 6503 1 17 . ARG . 6503 1 18 . LEU . 6503 1 19 . LEU . 6503 1 20 . LEU . 6503 1 21 . ASN . 6503 1 22 . PRO . 6503 1 23 . GLU . 6503 1 24 . ASN . 6503 1 25 . PRO . 6503 1 26 . ARG . 6503 1 27 . GLY . 6503 1 28 . THR . 6503 1 29 . PHE . 6503 1 30 . LEU . 6503 1 31 . VAL . 6503 1 32 . ARG . 6503 1 33 . GLU . 6503 1 34 . SER . 6503 1 35 . GLU . 6503 1 36 . THR . 6503 1 37 . THR . 6503 1 38 . LYS . 6503 1 39 . GLY . 6503 1 40 . ALA . 6503 1 41 . TYR . 6503 1 42 . CYS . 6503 1 43 . LEU . 6503 1 44 . SER . 6503 1 45 . VAL . 6503 1 46 . SER . 6503 1 47 . ASP . 6503 1 48 . PHE . 6503 1 49 . ASP . 6503 1 50 . ASN . 6503 1 51 . ALA . 6503 1 52 . LYS . 6503 1 53 . GLY . 6503 1 54 . LEU . 6503 1 55 . ASN . 6503 1 56 . VAL . 6503 1 57 . LYS . 6503 1 58 . HIS . 6503 1 59 . TYR . 6503 1 60 . LYS . 6503 1 61 . ILE . 6503 1 62 . ARG . 6503 1 63 . LYS . 6503 1 64 . LEU . 6503 1 65 . ASP . 6503 1 66 . SER . 6503 1 67 . GLY . 6503 1 68 . GLY . 6503 1 69 . PHE . 6503 1 70 . TYR . 6503 1 71 . ILE . 6503 1 72 . THR . 6503 1 73 . SER . 6503 1 74 . ARG . 6503 1 75 . THR . 6503 1 76 . GLN . 6503 1 77 . PHE . 6503 1 78 . SER . 6503 1 79 . SER . 6503 1 80 . LEU . 6503 1 81 . GLN . 6503 1 82 . GLN . 6503 1 83 . LEU . 6503 1 84 . VAL . 6503 1 85 . ALA . 6503 1 86 . TYR . 6503 1 87 . TYR . 6503 1 88 . SER . 6503 1 89 . LYS . 6503 1 90 . HIS . 6503 1 91 . ALA . 6503 1 92 . ASP . 6503 1 93 . GLY . 6503 1 94 . LEU . 6503 1 95 . CYS . 6503 1 96 . HIS . 6503 1 97 . ARG . 6503 1 98 . LEU . 6503 1 99 . THR . 6503 1 100 . ASN . 6503 1 101 . VAL . 6503 1 102 . CYS . 6503 1 103 . PRO . 6503 1 104 . THR . 6503 1 105 . SER . 6503 1 106 . LYS . 6503 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 . GLN 1 1 6503 1 . ALA 2 2 6503 1 . GLU 3 3 6503 1 . GLU 4 4 6503 1 . TRP 5 5 6503 1 . TYR 6 6 6503 1 . PHE 7 7 6503 1 . GLY 8 8 6503 1 . LYS 9 9 6503 1 . ILE 10 10 6503 1 . THR 11 11 6503 1 . ARG 12 12 6503 1 . ARG 13 13 6503 1 . GLU 14 14 6503 1 . SER 15 15 6503 1 . GLU 16 16 6503 1 . ARG 17 17 6503 1 . LEU 18 18 6503 1 . LEU 19 19 6503 1 . LEU 20 20 6503 1 . ASN 21 21 6503 1 . PRO 22 22 6503 1 . GLU 23 23 6503 1 . ASN 24 24 6503 1 . PRO 25 25 6503 1 . ARG 26 26 6503 1 . GLY 27 27 6503 1 . THR 28 28 6503 1 . PHE 29 29 6503 1 . LEU 30 30 6503 1 . VAL 31 31 6503 1 . ARG 32 32 6503 1 . GLU 33 33 6503 1 . SER 34 34 6503 1 . GLU 35 35 6503 1 . THR 36 36 6503 1 . THR 37 37 6503 1 . LYS 38 38 6503 1 . GLY 39 39 6503 1 . ALA 40 40 6503 1 . TYR 41 41 6503 1 . CYS 42 42 6503 1 . LEU 43 43 6503 1 . SER 44 44 6503 1 . VAL 45 45 6503 1 . SER 46 46 6503 1 . ASP 47 47 6503 1 . PHE 48 48 6503 1 . ASP 49 49 6503 1 . ASN 50 50 6503 1 . ALA 51 51 6503 1 . LYS 52 52 6503 1 . GLY 53 53 6503 1 . LEU 54 54 6503 1 . ASN 55 55 6503 1 . VAL 56 56 6503 1 . LYS 57 57 6503 1 . HIS 58 58 6503 1 . TYR 59 59 6503 1 . LYS 60 60 6503 1 . ILE 61 61 6503 1 . ARG 62 62 6503 1 . LYS 63 63 6503 1 . LEU 64 64 6503 1 . ASP 65 65 6503 1 . SER 66 66 6503 1 . GLY 67 67 6503 1 . GLY 68 68 6503 1 . PHE 69 69 6503 1 . TYR 70 70 6503 1 . ILE 71 71 6503 1 . THR 72 72 6503 1 . SER 73 73 6503 1 . ARG 74 74 6503 1 . THR 75 75 6503 1 . GLN 76 76 6503 1 . PHE 77 77 6503 1 . SER 78 78 6503 1 . SER 79 79 6503 1 . LEU 80 80 6503 1 . GLN 81 81 6503 1 . GLN 82 82 6503 1 . LEU 83 83 6503 1 . VAL 84 84 6503 1 . ALA 85 85 6503 1 . TYR 86 86 6503 1 . TYR 87 87 6503 1 . SER 88 88 6503 1 . LYS 89 89 6503 1 . HIS 90 90 6503 1 . ALA 91 91 6503 1 . ASP 92 92 6503 1 . GLY 93 93 6503 1 . LEU 94 94 6503 1 . CYS 95 95 6503 1 . HIS 96 96 6503 1 . ARG 97 97 6503 1 . LEU 98 98 6503 1 . THR 99 99 6503 1 . ASN 100 100 6503 1 . VAL 101 101 6503 1 . CYS 102 102 6503 1 . PRO 103 103 6503 1 . THR 104 104 6503 1 . SER 105 105 6503 1 . LYS 106 106 6503 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 6503 _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 $v-Src_SH2 . 11886 . . 'Alpharetrovirus Rous Sarcoma Virus' 'Rous Sarcoma Virus' . . viruses . Alpharetrovirus 'Rous Sarcoma Virus' 'Schmidt-Ruppin A' . . . . . . . . . . . . . . . v-src . . . . 6503 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 6503 _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 $v-Src_SH2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 'DE3 plysS' . . . . . . . . . . . plasmid . . pET3a . . . . . . 6503 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 6503 _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 'v-Src SH2 domain' '[U-95% 13C; U-90% 15N]' . . 1 $v-Src_SH2 . . 0.5 0.45 0.55 mM . . . . 6503 1 2 NaCl . . . . . . . 50 . . mM . . . . 6503 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 6503 _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 'v-Src SH2 domain' '[U-90% 15N]' . . 1 $v-Src_SH2 . . 0.5 0.45 0.55 mM . . . . 6503 2 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions _Sample_condition_list.Entry_ID 6503 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.001 M 6503 1 pH 6.0 0.1 pH 6503 1 temperature 298 0.2 K 6503 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6503 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Manual peak assignment' 6503 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 6503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6503 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6503 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6503 _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 Varian UNITY-INOVA . 800 . . . 6503 1 2 NMR_spectrometer_2 Varian UNITY-INOVA . 600 . . . 6503 1 3 NMR_spectrometer_3 Varian UNITY-INOVA . 500 . . . 6503 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 6503 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 5 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 6 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 7 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 8 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 9 '1H-15N TOWNY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 10 '1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 11 '1H-13C HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 12 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 13 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 1 14 CBHD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6503 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 6503 _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 6503 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 6503 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C(CO)NH _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 6503 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N TOWNY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1H-13C HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6503 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name CBHD _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 6503 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6503 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6503 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6503 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_Chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_shifts _Assigned_chem_shift_list.Entry_ID 6503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 6503 1 . . 2 $Sample_2 . 6503 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN CA C 13 55.951 0.400 . 1 . . . . . . . . 6503 1 2 . 1 1 1 1 GLN HA H 1 4.316 0.020 . 1 . . . . . . . . 6503 1 3 . 1 1 1 1 GLN C C 13 175.364 0.400 . 1 . . . . . . . . 6503 1 4 . 1 1 1 1 GLN CB C 13 29.501 0.400 . 1 . . . . . . . . 6503 1 5 . 1 1 1 1 GLN HB2 H 1 1.888 0.020 . 2 . . . . . . . . 6503 1 6 . 1 1 1 1 GLN HB3 H 1 2.010 0.020 . 2 . . . . . . . . 6503 1 7 . 1 1 1 1 GLN CG C 13 33.599 0.400 . 1 . . . . . . . . 6503 1 8 . 1 1 1 1 GLN CD C 13 180.933 0.400 . 1 . . . . . . . . 6503 1 9 . 1 1 1 1 GLN NE2 N 15 112.720 0.100 . 1 . . . . . . . . 6503 1 10 . 1 1 1 1 GLN HE21 H 1 7.658 0.020 . 1 . . . . . . . . 6503 1 11 . 1 1 1 1 GLN HE22 H 1 6.807 0.020 . 1 . . . . . . . . 6503 1 12 . 1 1 1 1 GLN HG3 H 1 2.263 0.020 . 1 . . . . . . . . 6503 1 13 . 1 1 2 2 ALA N N 15 125.955 0.100 . 1 . . . . . . . . 6503 1 14 . 1 1 2 2 ALA H H 1 8.400 0.020 . 1 . . . . . . . . 6503 1 15 . 1 1 2 2 ALA CA C 13 52.310 0.400 . 1 . . . . . . . . 6503 1 16 . 1 1 2 2 ALA HA H 1 4.203 0.020 . 1 . . . . . . . . 6503 1 17 . 1 1 2 2 ALA C C 13 177.702 0.400 . 1 . . . . . . . . 6503 1 18 . 1 1 2 2 ALA CB C 13 19.406 0.400 . 1 . . . . . . . . 6503 1 19 . 1 1 2 2 ALA HB1 H 1 1.299 0.020 . 1 . . . . . . . . 6503 1 20 . 1 1 2 2 ALA HB2 H 1 1.299 0.020 . 1 . . . . . . . . 6503 1 21 . 1 1 2 2 ALA HB3 H 1 1.299 0.020 . 1 . . . . . . . . 6503 1 22 . 1 1 3 3 GLU N N 15 119.601 0.100 . 1 . . . . . . . . 6503 1 23 . 1 1 3 3 GLU H H 1 8.226 0.020 . 1 . . . . . . . . 6503 1 24 . 1 1 3 3 GLU CA C 13 55.956 0.400 . 1 . . . . . . . . 6503 1 25 . 1 1 3 3 GLU HA H 1 3.938 0.020 . 1 . . . . . . . . 6503 1 26 . 1 1 3 3 GLU C C 13 178.529 0.400 . 1 . . . . . . . . 6503 1 27 . 1 1 3 3 GLU CB C 13 28.790 0.400 . 1 . . . . . . . . 6503 1 28 . 1 1 3 3 GLU HB2 H 1 0.668 0.020 . 2 . . . . . . . . 6503 1 29 . 1 1 3 3 GLU HB3 H 1 0.684 0.020 . 2 . . . . . . . . 6503 1 30 . 1 1 3 3 GLU CG C 13 35.907 0.400 . 1 . . . . . . . . 6503 1 31 . 1 1 3 3 GLU HG2 H 1 1.940 0.020 . 2 . . . . . . . . 6503 1 32 . 1 1 3 3 GLU HG3 H 1 2.064 0.020 . 2 . . . . . . . . 6503 1 33 . 1 1 4 4 GLU N N 15 121.849 0.100 . 1 . . . . . . . . 6503 1 34 . 1 1 4 4 GLU H H 1 8.941 0.020 . 1 . . . . . . . . 6503 1 35 . 1 1 4 4 GLU CA C 13 58.822 0.400 . 1 . . . . . . . . 6503 1 36 . 1 1 4 4 GLU HA H 1 3.883 0.020 . 1 . . . . . . . . 6503 1 37 . 1 1 4 4 GLU C C 13 176.058 0.400 . 1 . . . . . . . . 6503 1 38 . 1 1 4 4 GLU CB C 13 29.504 0.400 . 1 . . . . . . . . 6503 1 39 . 1 1 4 4 GLU HB2 H 1 1.954 0.020 . 2 . . . . . . . . 6503 1 40 . 1 1 4 4 GLU HB3 H 1 2.023 0.020 . 2 . . . . . . . . 6503 1 41 . 1 1 4 4 GLU CG C 13 36.401 0.400 . 1 . . . . . . . . 6503 1 42 . 1 1 4 4 GLU HG2 H 1 2.308 0.020 . 2 . . . . . . . . 6503 1 43 . 1 1 4 4 GLU HG3 H 1 2.312 0.020 . 2 . . . . . . . . 6503 1 44 . 1 1 5 5 TRP N N 15 109.896 0.100 . 1 . . . . . . . . 6503 1 45 . 1 1 5 5 TRP H H 1 6.228 0.020 . 1 . . . . . . . . 6503 1 46 . 1 1 5 5 TRP CA C 13 53.744 0.400 . 1 . . . . . . . . 6503 1 47 . 1 1 5 5 TRP HA H 1 4.595 0.020 . 1 . . . . . . . . 6503 1 48 . 1 1 5 5 TRP C C 13 176.079 0.400 . 1 . . . . . . . . 6503 1 49 . 1 1 5 5 TRP CB C 13 30.862 0.400 . 1 . . . . . . . . 6503 1 50 . 1 1 5 5 TRP HB2 H 1 2.971 0.020 . 2 . . . . . . . . 6503 1 51 . 1 1 5 5 TRP HB3 H 1 3.722 0.020 . 2 . . . . . . . . 6503 1 52 . 1 1 5 5 TRP CD1 C 13 129.667 0.400 . 1 . . . . . . . . 6503 1 53 . 1 1 5 5 TRP HD1 H 1 7.528 0.020 . 2 . . . . . . . . 6503 1 54 . 1 1 5 5 TRP NE1 N 15 132.630 0.100 . 1 . . . . . . . . 6503 1 55 . 1 1 5 5 TRP HE1 H 1 10.770 0.020 . 1 . . . . . . . . 6503 1 56 . 1 1 5 5 TRP CE3 C 13 121.671 0.400 . 1 . . . . . . . . 6503 1 57 . 1 1 5 5 TRP HE3 H 1 7.390 0.020 . 1 . . . . . . . . 6503 1 58 . 1 1 5 5 TRP CZ2 C 13 114.575 0.400 . 1 . . . . . . . . 6503 1 59 . 1 1 5 5 TRP HZ2 H 1 7.346 0.020 . 1 . . . . . . . . 6503 1 60 . 1 1 5 5 TRP CZ3 C 13 120.212 0.400 . 1 . . . . . . . . 6503 1 61 . 1 1 5 5 TRP HZ3 H 1 6.733 0.020 . 1 . . . . . . . . 6503 1 62 . 1 1 5 5 TRP CH2 C 13 124.347 0.400 . 1 . . . . . . . . 6503 1 63 . 1 1 5 5 TRP HH2 H 1 6.771 0.020 . 1 . . . . . . . . 6503 1 64 . 1 1 6 6 TYR N N 15 123.239 0.100 . 1 . . . . . . . . 6503 1 65 . 1 1 6 6 TYR H H 1 7.816 0.020 . 1 . . . . . . . . 6503 1 66 . 1 1 6 6 TYR CA C 13 58.884 0.400 . 1 . . . . . . . . 6503 1 67 . 1 1 6 6 TYR HA H 1 5.154 0.020 . 1 . . . . . . . . 6503 1 68 . 1 1 6 6 TYR C C 13 175.585 0.400 . 1 . . . . . . . . 6503 1 69 . 1 1 6 6 TYR CB C 13 37.667 0.400 . 1 . . . . . . . . 6503 1 70 . 1 1 6 6 TYR HB2 H 1 2.377 0.020 . 2 . . . . . . . . 6503 1 71 . 1 1 6 6 TYR HB3 H 1 2.961 0.020 . 2 . . . . . . . . 6503 1 72 . 1 1 6 6 TYR CD2 C 13 133.423 0.400 . 3 . . . . . . . . 6503 1 73 . 1 1 6 6 TYR HD2 H 1 7.063 0.020 . 3 . . . . . . . . 6503 1 74 . 1 1 6 6 TYR CE2 C 13 118.521 0.400 . 3 . . . . . . . . 6503 1 75 . 1 1 6 6 TYR HE2 H 1 6.865 0.020 . 3 . . . . . . . . 6503 1 76 . 1 1 7 7 PHE N N 15 130.273 0.100 . 1 . . . . . . . . 6503 1 77 . 1 1 7 7 PHE H H 1 9.323 0.020 . 1 . . . . . . . . 6503 1 78 . 1 1 7 7 PHE CA C 13 57.442 0.400 . 1 . . . . . . . . 6503 1 79 . 1 1 7 7 PHE HA H 1 4.459 0.020 . 1 . . . . . . . . 6503 1 80 . 1 1 7 7 PHE C C 13 176.773 0.400 . 1 . . . . . . . . 6503 1 81 . 1 1 7 7 PHE CB C 13 40.160 0.400 . 1 . . . . . . . . 6503 1 82 . 1 1 7 7 PHE HB2 H 1 2.760 0.020 . 2 . . . . . . . . 6503 1 83 . 1 1 7 7 PHE HB3 H 1 3.183 0.020 . 2 . . . . . . . . 6503 1 84 . 1 1 7 7 PHE CD2 C 13 131.023 0.400 . 3 . . . . . . . . 6503 1 85 . 1 1 7 7 PHE HD2 H 1 7.227 0.020 . 3 . . . . . . . . 6503 1 86 . 1 1 7 7 PHE CE2 C 13 131.922 0.400 . 3 . . . . . . . . 6503 1 87 . 1 1 7 7 PHE HE2 H 1 7.303 0.020 . 3 . . . . . . . . 6503 1 88 . 1 1 8 8 GLY N N 15 104.337 0.100 . 1 . . . . . . . . 6503 1 89 . 1 1 8 8 GLY H H 1 5.759 0.020 . 1 . . . . . . . . 6503 1 90 . 1 1 8 8 GLY CA C 13 47.697 0.400 . 1 . . . . . . . . 6503 1 91 . 1 1 8 8 GLY HA2 H 1 3.568 0.020 . 1 . . . . . . . . 6503 1 92 . 1 1 8 8 GLY HA3 H 1 3.879 0.020 . 1 . . . . . . . . 6503 1 93 . 1 1 8 8 GLY C C 13 174.680 0.400 . 1 . . . . . . . . 6503 1 94 . 1 1 9 9 LYS N N 15 127.479 0.100 . 1 . . . . . . . . 6503 1 95 . 1 1 9 9 LYS H H 1 8.773 0.020 . 1 . . . . . . . . 6503 1 96 . 1 1 9 9 LYS CA C 13 56.318 0.400 . 1 . . . . . . . . 6503 1 97 . 1 1 9 9 LYS HA H 1 4.436 0.020 . 1 . . . . . . . . 6503 1 98 . 1 1 9 9 LYS C C 13 176.234 0.400 . 1 . . . . . . . . 6503 1 99 . 1 1 9 9 LYS CB C 13 31.394 0.400 . 1 . . . . . . . . 6503 1 100 . 1 1 9 9 LYS HB2 H 1 1.668 0.020 . 2 . . . . . . . . 6503 1 101 . 1 1 9 9 LYS HB3 H 1 1.991 0.020 . 2 . . . . . . . . 6503 1 102 . 1 1 9 9 LYS CG C 13 25.217 0.400 . 1 . . . . . . . . 6503 1 103 . 1 1 9 9 LYS HG2 H 1 1.341 0.020 . 2 . . . . . . . . 6503 1 104 . 1 1 9 9 LYS HG3 H 1 1.398 0.020 . 2 . . . . . . . . 6503 1 105 . 1 1 9 9 LYS CD C 13 29.550 0.400 . 1 . . . . . . . . 6503 1 106 . 1 1 9 9 LYS CE C 13 42.162 0.400 . 1 . . . . . . . . 6503 1 107 . 1 1 9 9 LYS HD3 H 1 1.709 0.020 . 1 . . . . . . . . 6503 1 108 . 1 1 9 9 LYS HE3 H 1 3.046 0.020 . 1 . . . . . . . . 6503 1 109 . 1 1 10 10 ILE N N 15 119.807 0.100 . 1 . . . . . . . . 6503 1 110 . 1 1 10 10 ILE H H 1 7.211 0.020 . 1 . . . . . . . . 6503 1 111 . 1 1 10 10 ILE CA C 13 60.501 0.400 . 1 . . . . . . . . 6503 1 112 . 1 1 10 10 ILE HA H 1 4.658 0.020 . 1 . . . . . . . . 6503 1 113 . 1 1 10 10 ILE C C 13 175.665 0.400 . 1 . . . . . . . . 6503 1 114 . 1 1 10 10 ILE CB C 13 40.112 0.400 . 1 . . . . . . . . 6503 1 115 . 1 1 10 10 ILE HB H 1 1.952 0.020 . 1 . . . . . . . . 6503 1 116 . 1 1 10 10 ILE CG1 C 13 27.276 0.400 . 1 . . . . . . . . 6503 1 117 . 1 1 10 10 ILE HG12 H 1 1.142 0.020 . 2 . . . . . . . . 6503 1 118 . 1 1 10 10 ILE HG13 H 1 1.488 0.020 . 2 . . . . . . . . 6503 1 119 . 1 1 10 10 ILE CG2 C 13 17.798 0.400 . 1 . . . . . . . . 6503 1 120 . 1 1 10 10 ILE HG21 H 1 0.972 0.020 . 1 . . . . . . . . 6503 1 121 . 1 1 10 10 ILE HG22 H 1 0.972 0.020 . 1 . . . . . . . . 6503 1 122 . 1 1 10 10 ILE HG23 H 1 0.972 0.020 . 1 . . . . . . . . 6503 1 123 . 1 1 10 10 ILE CD1 C 13 15.034 0.400 . 1 . . . . . . . . 6503 1 124 . 1 1 10 10 ILE HD11 H 1 0.788 0.020 . 1 . . . . . . . . 6503 1 125 . 1 1 10 10 ILE HD12 H 1 0.788 0.020 . 1 . . . . . . . . 6503 1 126 . 1 1 10 10 ILE HD13 H 1 0.788 0.020 . 1 . . . . . . . . 6503 1 127 . 1 1 11 11 THR N N 15 114.359 0.100 . 1 . . . . . . . . 6503 1 128 . 1 1 11 11 THR H H 1 8.297 0.020 . 1 . . . . . . . . 6503 1 129 . 1 1 11 11 THR CA C 13 61.209 0.400 . 1 . . . . . . . . 6503 1 130 . 1 1 11 11 THR HA H 1 4.278 0.020 . 1 . . . . . . . . 6503 1 131 . 1 1 11 11 THR C C 13 176.677 0.400 . 1 . . . . . . . . 6503 1 132 . 1 1 11 11 THR CB C 13 71.520 0.400 . 1 . . . . . . . . 6503 1 133 . 1 1 11 11 THR HB H 1 4.759 0.020 . 1 . . . . . . . . 6503 1 134 . 1 1 11 11 THR CG2 C 13 22.006 0.400 . 1 . . . . . . . . 6503 1 135 . 1 1 11 11 THR HG21 H 1 1.379 0.020 . 1 . . . . . . . . 6503 1 136 . 1 1 11 11 THR HG22 H 1 1.379 0.020 . 1 . . . . . . . . 6503 1 137 . 1 1 11 11 THR HG23 H 1 1.379 0.020 . 1 . . . . . . . . 6503 1 138 . 1 1 12 12 ARG N N 15 123.193 0.100 . 1 . . . . . . . . 6503 1 139 . 1 1 12 12 ARG H H 1 9.094 0.020 . 1 . . . . . . . . 6503 1 140 . 1 1 12 12 ARG CA C 13 60.355 0.400 . 1 . . . . . . . . 6503 1 141 . 1 1 12 12 ARG HA H 1 3.559 0.020 . 1 . . . . . . . . 6503 1 142 . 1 1 12 12 ARG C C 13 180.157 0.400 . 1 . . . . . . . . 6503 1 143 . 1 1 12 12 ARG CB C 13 29.808 0.400 . 1 . . . . . . . . 6503 1 144 . 1 1 12 12 ARG CG C 13 27.290 0.400 . 1 . . . . . . . . 6503 1 145 . 1 1 12 12 ARG HG2 H 1 0.707 0.020 . 2 . . . . . . . . 6503 1 146 . 1 1 12 12 ARG HG3 H 1 1.099 0.020 . 2 . . . . . . . . 6503 1 147 . 1 1 12 12 ARG CD C 13 43.479 0.400 . 1 . . . . . . . . 6503 1 148 . 1 1 12 12 ARG NE N 15 84.490 0.100 . 1 . . . . . . . . 6503 1 149 . 1 1 12 12 ARG HE H 1 7.234 0.020 . 1 . . . . . . . . 6503 1 150 . 1 1 12 12 ARG HB3 H 1 1.731 0.020 . 1 . . . . . . . . 6503 1 151 . 1 1 12 12 ARG HD3 H 1 2.868 0.020 . 1 . . . . . . . . 6503 1 152 . 1 1 13 13 ARG N N 15 119.491 0.100 . 1 . . . . . . . . 6503 1 153 . 1 1 13 13 ARG H H 1 8.781 0.020 . 1 . . . . . . . . 6503 1 154 . 1 1 13 13 ARG CA C 13 59.624 0.400 . 1 . . . . . . . . 6503 1 155 . 1 1 13 13 ARG HA H 1 3.998 0.020 . 1 . . . . . . . . 6503 1 156 . 1 1 13 13 ARG C C 13 179.405 0.400 . 1 . . . . . . . . 6503 1 157 . 1 1 13 13 ARG CB C 13 30.027 0.400 . 1 . . . . . . . . 6503 1 158 . 1 1 13 13 ARG HB2 H 1 1.782 0.020 . 2 . . . . . . . . 6503 1 159 . 1 1 13 13 ARG HB3 H 1 1.854 0.020 . 2 . . . . . . . . 6503 1 160 . 1 1 13 13 ARG CG C 13 27.169 0.400 . 1 . . . . . . . . 6503 1 161 . 1 1 13 13 ARG HG2 H 1 1.648 0.020 . 2 . . . . . . . . 6503 1 162 . 1 1 13 13 ARG HG3 H 1 1.708 0.020 . 2 . . . . . . . . 6503 1 163 . 1 1 13 13 ARG CD C 13 43.369 0.400 . 1 . . . . . . . . 6503 1 164 . 1 1 13 13 ARG HD2 H 1 3.209 0.020 . 2 . . . . . . . . 6503 1 165 . 1 1 13 13 ARG HD3 H 1 3.227 0.020 . 2 . . . . . . . . 6503 1 166 . 1 1 13 13 ARG NE N 15 83.690 0.100 . 1 . . . . . . . . 6503 1 167 . 1 1 13 13 ARG HE H 1 6.993 0.020 . 1 . . . . . . . . 6503 1 168 . 1 1 14 14 GLU N N 15 121.390 0.100 . 1 . . . . . . . . 6503 1 169 . 1 1 14 14 GLU H H 1 7.945 0.020 . 1 . . . . . . . . 6503 1 170 . 1 1 14 14 GLU CA C 13 58.706 0.400 . 1 . . . . . . . . 6503 1 171 . 1 1 14 14 GLU HA H 1 4.276 0.020 . 1 . . . . . . . . 6503 1 172 . 1 1 14 14 GLU C C 13 179.335 0.400 . 1 . . . . . . . . 6503 1 173 . 1 1 14 14 GLU CB C 13 29.473 0.400 . 1 . . . . . . . . 6503 1 174 . 1 1 14 14 GLU HB2 H 1 2.120 0.020 . 2 . . . . . . . . 6503 1 175 . 1 1 14 14 GLU HB3 H 1 1.942 0.020 . 2 . . . . . . . . 6503 1 176 . 1 1 14 14 GLU CG C 13 35.749 0.400 . 1 . . . . . . . . 6503 1 177 . 1 1 14 14 GLU HG2 H 1 2.283 0.020 . 2 . . . . . . . . 6503 1 178 . 1 1 14 14 GLU HG3 H 1 2.360 0.020 . 2 . . . . . . . . 6503 1 179 . 1 1 15 15 SER N N 15 115.566 0.100 . 1 . . . . . . . . 6503 1 180 . 1 1 15 15 SER H H 1 8.449 0.020 . 1 . . . . . . . . 6503 1 181 . 1 1 15 15 SER CA C 13 62.467 0.400 . 1 . . . . . . . . 6503 1 182 . 1 1 15 15 SER HA H 1 3.898 0.020 . 1 . . . . . . . . 6503 1 183 . 1 1 15 15 SER C C 13 175.885 0.400 . 1 . . . . . . . . 6503 1 184 . 1 1 15 15 SER CB C 13 63.256 0.400 . 1 . . . . . . . . 6503 1 185 . 1 1 15 15 SER HB2 H 1 3.799 0.020 . 2 . . . . . . . . 6503 1 186 . 1 1 15 15 SER HB3 H 1 3.913 0.020 . 2 . . . . . . . . 6503 1 187 . 1 1 16 16 GLU N N 15 121.392 0.100 . 1 . . . . . . . . 6503 1 188 . 1 1 16 16 GLU H H 1 7.775 0.020 . 1 . . . . . . . . 6503 1 189 . 1 1 16 16 GLU CA C 13 60.304 0.400 . 1 . . . . . . . . 6503 1 190 . 1 1 16 16 GLU HA H 1 3.864 0.020 . 1 . . . . . . . . 6503 1 191 . 1 1 16 16 GLU C C 13 177.308 0.400 . 1 . . . . . . . . 6503 1 192 . 1 1 16 16 GLU CB C 13 28.219 0.400 . 1 . . . . . . . . 6503 1 193 . 1 1 16 16 GLU HB2 H 1 2.179 0.020 . 2 . . . . . . . . 6503 1 194 . 1 1 16 16 GLU HB3 H 1 2.026 0.020 . 2 . . . . . . . . 6503 1 195 . 1 1 16 16 GLU CG C 13 37.656 0.400 . 1 . . . . . . . . 6503 1 196 . 1 1 16 16 GLU HG2 H 1 2.005 0.020 . 2 . . . . . . . . 6503 1 197 . 1 1 16 16 GLU HG3 H 1 2.826 0.020 . 2 . . . . . . . . 6503 1 198 . 1 1 17 17 ARG N N 15 119.244 0.100 . 1 . . . . . . . . 6503 1 199 . 1 1 17 17 ARG H H 1 7.792 0.020 . 1 . . . . . . . . 6503 1 200 . 1 1 17 17 ARG CA C 13 59.581 0.400 . 1 . . . . . . . . 6503 1 201 . 1 1 17 17 ARG HA H 1 3.872 0.020 . 1 . . . . . . . . 6503 1 202 . 1 1 17 17 ARG C C 13 180.275 0.400 . 1 . . . . . . . . 6503 1 203 . 1 1 17 17 ARG CB C 13 30.212 0.400 . 1 . . . . . . . . 6503 1 204 . 1 1 17 17 ARG HB2 H 1 1.842 0.020 . 2 . . . . . . . . 6503 1 205 . 1 1 17 17 ARG HB3 H 1 2.009 0.020 . 2 . . . . . . . . 6503 1 206 . 1 1 17 17 ARG CG C 13 27.452 0.400 . 1 . . . . . . . . 6503 1 207 . 1 1 17 17 ARG HG2 H 1 1.486 0.020 . 2 . . . . . . . . 6503 1 208 . 1 1 17 17 ARG HG3 H 1 1.680 0.020 . 2 . . . . . . . . 6503 1 209 . 1 1 17 17 ARG CD C 13 43.101 0.400 . 1 . . . . . . . . 6503 1 210 . 1 1 17 17 ARG HD2 H 1 3.085 0.020 . 2 . . . . . . . . 6503 1 211 . 1 1 17 17 ARG HD3 H 1 3.332 0.020 . 2 . . . . . . . . 6503 1 212 . 1 1 17 17 ARG NE N 15 83.290 0.100 . 1 . . . . . . . . 6503 1 213 . 1 1 17 17 ARG HE H 1 7.919 0.020 . 1 . . . . . . . . 6503 1 214 . 1 1 18 18 LEU N N 15 116.543 0.100 . 1 . . . . . . . . 6503 1 215 . 1 1 18 18 LEU H H 1 7.668 0.020 . 1 . . . . . . . . 6503 1 216 . 1 1 18 18 LEU CA C 13 57.364 0.400 . 1 . . . . . . . . 6503 1 217 . 1 1 18 18 LEU HA H 1 3.936 0.020 . 1 . . . . . . . . 6503 1 218 . 1 1 18 18 LEU CB C 13 43.184 0.400 . 1 . . . . . . . . 6503 1 219 . 1 1 18 18 LEU HB2 H 1 1.303 0.020 . 2 . . . . . . . . 6503 1 220 . 1 1 18 18 LEU HB3 H 1 1.684 0.020 . 2 . . . . . . . . 6503 1 221 . 1 1 18 18 LEU CG C 13 26.925 0.400 . 1 . . . . . . . . 6503 1 222 . 1 1 18 18 LEU HG H 1 1.767 0.020 . 1 . . . . . . . . 6503 1 223 . 1 1 18 18 LEU CD1 C 13 26.399 0.400 . 2 . . . . . . . . 6503 1 224 . 1 1 18 18 LEU HD11 H 1 0.823 0.020 . 2 . . . . . . . . 6503 1 225 . 1 1 18 18 LEU HD12 H 1 0.823 0.020 . 2 . . . . . . . . 6503 1 226 . 1 1 18 18 LEU HD13 H 1 0.823 0.020 . 2 . . . . . . . . 6503 1 227 . 1 1 18 18 LEU CD2 C 13 22.709 0.400 . 2 . . . . . . . . 6503 1 228 . 1 1 18 18 LEU HD21 H 1 0.866 0.020 . 2 . . . . . . . . 6503 1 229 . 1 1 18 18 LEU HD22 H 1 0.866 0.020 . 2 . . . . . . . . 6503 1 230 . 1 1 18 18 LEU HD23 H 1 0.866 0.020 . 2 . . . . . . . . 6503 1 231 . 1 1 19 19 LEU N N 15 118.539 0.100 . 1 . . . . . . . . 6503 1 232 . 1 1 19 19 LEU H H 1 8.032 0.020 . 1 . . . . . . . . 6503 1 233 . 1 1 19 19 LEU CA C 13 57.199 0.400 . 1 . . . . . . . . 6503 1 234 . 1 1 19 19 LEU HA H 1 3.852 0.020 . 1 . . . . . . . . 6503 1 235 . 1 1 19 19 LEU C C 13 179.538 0.400 . 1 . . . . . . . . 6503 1 236 . 1 1 19 19 LEU CB C 13 43.448 0.400 . 1 . . . . . . . . 6503 1 237 . 1 1 19 19 LEU HB2 H 1 1.773 0.020 . 2 . . . . . . . . 6503 1 238 . 1 1 19 19 LEU HB3 H 1 1.085 0.020 . 2 . . . . . . . . 6503 1 239 . 1 1 19 19 LEU CG C 13 27.578 0.400 . 1 . . . . . . . . 6503 1 240 . 1 1 19 19 LEU HG H 1 1.676 0.020 . 1 . . . . . . . . 6503 1 241 . 1 1 19 19 LEU CD1 C 13 27.616 0.400 . 2 . . . . . . . . 6503 1 242 . 1 1 19 19 LEU HD11 H 1 0.564 0.020 . 2 . . . . . . . . 6503 1 243 . 1 1 19 19 LEU HD12 H 1 0.564 0.020 . 2 . . . . . . . . 6503 1 244 . 1 1 19 19 LEU HD13 H 1 0.564 0.020 . 2 . . . . . . . . 6503 1 245 . 1 1 19 19 LEU CD2 C 13 23.534 0.400 . 2 . . . . . . . . 6503 1 246 . 1 1 19 19 LEU HD21 H 1 0.610 0.020 . 2 . . . . . . . . 6503 1 247 . 1 1 19 19 LEU HD22 H 1 0.610 0.020 . 2 . . . . . . . . 6503 1 248 . 1 1 19 19 LEU HD23 H 1 0.610 0.020 . 2 . . . . . . . . 6503 1 249 . 1 1 20 20 LEU N N 15 119.522 0.100 . 1 . . . . . . . . 6503 1 250 . 1 1 20 20 LEU H H 1 8.037 0.020 . 1 . . . . . . . . 6503 1 251 . 1 1 20 20 LEU CA C 13 55.183 0.400 . 1 . . . . . . . . 6503 1 252 . 1 1 20 20 LEU HA H 1 4.193 0.020 . 1 . . . . . . . . 6503 1 253 . 1 1 20 20 LEU C C 13 175.700 0.400 . 1 . . . . . . . . 6503 1 254 . 1 1 20 20 LEU CB C 13 40.649 0.400 . 1 . . . . . . . . 6503 1 255 . 1 1 20 20 LEU HB2 H 1 1.767 0.020 . 2 . . . . . . . . 6503 1 256 . 1 1 20 20 LEU HB3 H 1 1.564 0.020 . 2 . . . . . . . . 6503 1 257 . 1 1 20 20 LEU CG C 13 26.681 0.400 . 1 . . . . . . . . 6503 1 258 . 1 1 20 20 LEU HG H 1 1.589 0.020 . 1 . . . . . . . . 6503 1 259 . 1 1 20 20 LEU CD1 C 13 23.155 0.400 . 2 . . . . . . . . 6503 1 260 . 1 1 20 20 LEU HD11 H 1 0.661 0.020 . 2 . . . . . . . . 6503 1 261 . 1 1 20 20 LEU HD12 H 1 0.661 0.020 . 2 . . . . . . . . 6503 1 262 . 1 1 20 20 LEU HD13 H 1 0.661 0.020 . 2 . . . . . . . . 6503 1 263 . 1 1 20 20 LEU CD2 C 13 25.483 0.400 . 2 . . . . . . . . 6503 1 264 . 1 1 20 20 LEU HD21 H 1 0.800 0.020 . 2 . . . . . . . . 6503 1 265 . 1 1 20 20 LEU HD22 H 1 0.800 0.020 . 2 . . . . . . . . 6503 1 266 . 1 1 20 20 LEU HD23 H 1 0.800 0.020 . 2 . . . . . . . . 6503 1 267 . 1 1 21 21 ASN N N 15 120.012 0.100 . 1 . . . . . . . . 6503 1 268 . 1 1 21 21 ASN H H 1 6.600 0.020 . 1 . . . . . . . . 6503 1 269 . 1 1 21 21 ASN CA C 13 51.716 0.400 . 1 . . . . . . . . 6503 1 270 . 1 1 21 21 ASN HA H 1 4.690 0.020 . 1 . . . . . . . . 6503 1 271 . 1 1 21 21 ASN CB C 13 39.386 0.400 . 1 . . . . . . . . 6503 1 272 . 1 1 21 21 ASN HB2 H 1 2.880 0.020 . 2 . . . . . . . . 6503 1 273 . 1 1 21 21 ASN HB3 H 1 2.882 0.020 . 2 . . . . . . . . 6503 1 274 . 1 1 21 21 ASN CG C 13 177.415 0.400 . 1 . . . . . . . . 6503 1 275 . 1 1 21 21 ASN ND2 N 15 112.499 0.100 . 1 . . . . . . . . 6503 1 276 . 1 1 21 21 ASN HD21 H 1 7.629 0.020 . 1 . . . . . . . . 6503 1 277 . 1 1 21 21 ASN HD22 H 1 7.082 0.020 . 1 . . . . . . . . 6503 1 278 . 1 1 22 22 PRO CA C 13 64.349 0.400 . 1 . . . . . . . . 6503 1 279 . 1 1 22 22 PRO HA H 1 4.302 0.020 . 1 . . . . . . . . 6503 1 280 . 1 1 22 22 PRO CB C 13 32.044 0.400 . 1 . . . . . . . . 6503 1 281 . 1 1 22 22 PRO HB2 H 1 2.045 0.020 . 2 . . . . . . . . 6503 1 282 . 1 1 22 22 PRO HB3 H 1 2.316 0.020 . 2 . . . . . . . . 6503 1 283 . 1 1 22 22 PRO CG C 13 27.239 0.400 . 1 . . . . . . . . 6503 1 284 . 1 1 22 22 PRO CD C 13 51.449 0.400 . 1 . . . . . . . . 6503 1 285 . 1 1 22 22 PRO HD2 H 1 3.835 0.020 . 2 . . . . . . . . 6503 1 286 . 1 1 22 22 PRO HD3 H 1 3.940 0.020 . 2 . . . . . . . . 6503 1 287 . 1 1 22 22 PRO HG3 H 1 2.031 0.020 . 1 . . . . . . . . 6503 1 288 . 1 1 23 23 GLU N N 15 116.732 0.100 . 1 . . . . . . . . 6503 1 289 . 1 1 23 23 GLU H H 1 8.140 0.020 . 1 . . . . . . . . 6503 1 290 . 1 1 23 23 GLU CA C 13 56.880 0.400 . 1 . . . . . . . . 6503 1 291 . 1 1 23 23 GLU HA H 1 4.120 0.020 . 1 . . . . . . . . 6503 1 292 . 1 1 23 23 GLU C C 13 177.957 0.400 . 1 . . . . . . . . 6503 1 293 . 1 1 23 23 GLU CB C 13 29.694 0.400 . 1 . . . . . . . . 6503 1 294 . 1 1 23 23 GLU HB2 H 1 1.765 0.020 . 2 . . . . . . . . 6503 1 295 . 1 1 23 23 GLU HB3 H 1 2.080 0.020 . 2 . . . . . . . . 6503 1 296 . 1 1 23 23 GLU CG C 13 36.496 0.400 . 1 . . . . . . . . 6503 1 297 . 1 1 23 23 GLU HG2 H 1 2.206 0.020 . 2 . . . . . . . . 6503 1 298 . 1 1 23 23 GLU HG3 H 1 2.304 0.020 . 2 . . . . . . . . 6503 1 299 . 1 1 24 24 ASN N N 15 119.734 0.100 . 1 . . . . . . . . 6503 1 300 . 1 1 24 24 ASN H H 1 7.922 0.020 . 1 . . . . . . . . 6503 1 301 . 1 1 24 24 ASN CA C 13 50.841 0.400 . 1 . . . . . . . . 6503 1 302 . 1 1 24 24 ASN HA H 1 4.897 0.020 . 1 . . . . . . . . 6503 1 303 . 1 1 24 24 ASN CB C 13 37.288 0.400 . 1 . . . . . . . . 6503 1 304 . 1 1 24 24 ASN HB2 H 1 2.934 0.020 . 2 . . . . . . . . 6503 1 305 . 1 1 24 24 ASN HB3 H 1 3.044 0.020 . 2 . . . . . . . . 6503 1 306 . 1 1 24 24 ASN ND2 N 15 109.533 0.100 . 1 . . . . . . . . 6503 1 307 . 1 1 24 24 ASN HD21 H 1 7.129 0.020 . 1 . . . . . . . . 6503 1 308 . 1 1 24 24 ASN HD22 H 1 6.297 0.020 . 1 . . . . . . . . 6503 1 309 . 1 1 25 25 PRO CA C 13 61.636 0.400 . 1 . . . . . . . . 6503 1 310 . 1 1 25 25 PRO HA H 1 4.499 0.020 . 1 . . . . . . . . 6503 1 311 . 1 1 25 25 PRO C C 13 177.202 0.400 . 1 . . . . . . . . 6503 1 312 . 1 1 25 25 PRO CB C 13 32.621 0.400 . 1 . . . . . . . . 6503 1 313 . 1 1 25 25 PRO HB2 H 1 1.852 0.020 . 2 . . . . . . . . 6503 1 314 . 1 1 25 25 PRO HB3 H 1 2.268 0.020 . 2 . . . . . . . . 6503 1 315 . 1 1 25 25 PRO CG C 13 27.182 0.400 . 1 . . . . . . . . 6503 1 316 . 1 1 25 25 PRO HG2 H 1 1.751 0.020 . 2 . . . . . . . . 6503 1 317 . 1 1 25 25 PRO HG3 H 1 1.947 0.020 . 2 . . . . . . . . 6503 1 318 . 1 1 25 25 PRO CD C 13 51.115 0.400 . 1 . . . . . . . . 6503 1 319 . 1 1 25 25 PRO HD2 H 1 3.760 0.020 . 2 . . . . . . . . 6503 1 320 . 1 1 25 25 PRO HD3 H 1 3.939 0.020 . 2 . . . . . . . . 6503 1 321 . 1 1 26 26 ARG N N 15 122.421 0.100 . 1 . . . . . . . . 6503 1 322 . 1 1 26 26 ARG H H 1 8.473 0.020 . 1 . . . . . . . . 6503 1 323 . 1 1 26 26 ARG CA C 13 58.142 0.400 . 1 . . . . . . . . 6503 1 324 . 1 1 26 26 ARG HA H 1 3.808 0.020 . 1 . . . . . . . . 6503 1 325 . 1 1 26 26 ARG C C 13 178.004 0.400 . 1 . . . . . . . . 6503 1 326 . 1 1 26 26 ARG CB C 13 30.290 0.400 . 1 . . . . . . . . 6503 1 327 . 1 1 26 26 ARG HB2 H 1 1.214 0.020 . 2 . . . . . . . . 6503 1 328 . 1 1 26 26 ARG HB3 H 1 1.441 0.020 . 2 . . . . . . . . 6503 1 329 . 1 1 26 26 ARG CG C 13 27.282 0.400 . 1 . . . . . . . . 6503 1 330 . 1 1 26 26 ARG HG2 H 1 1.132 0.020 . 2 . . . . . . . . 6503 1 331 . 1 1 26 26 ARG HG3 H 1 1.623 0.020 . 2 . . . . . . . . 6503 1 332 . 1 1 26 26 ARG CD C 13 44.237 0.400 . 1 . . . . . . . . 6503 1 333 . 1 1 26 26 ARG HD2 H 1 3.031 0.020 . 2 . . . . . . . . 6503 1 334 . 1 1 26 26 ARG HD3 H 1 3.124 0.020 . 2 . . . . . . . . 6503 1 335 . 1 1 26 26 ARG NE N 15 82.890 0.100 . 1 . . . . . . . . 6503 1 336 . 1 1 26 26 ARG HE H 1 7.239 0.020 . 1 . . . . . . . . 6503 1 337 . 1 1 27 27 GLY N N 15 114.413 0.100 . 1 . . . . . . . . 6503 1 338 . 1 1 27 27 GLY H H 1 8.662 0.020 . 1 . . . . . . . . 6503 1 339 . 1 1 27 27 GLY CA C 13 45.980 0.400 . 1 . . . . . . . . 6503 1 340 . 1 1 27 27 GLY HA2 H 1 3.441 0.020 . 1 . . . . . . . . 6503 1 341 . 1 1 27 27 GLY HA3 H 1 4.561 0.020 . 1 . . . . . . . . 6503 1 342 . 1 1 27 27 GLY C C 13 175.257 0.400 . 1 . . . . . . . . 6503 1 343 . 1 1 28 28 THR N N 15 123.066 0.100 . 1 . . . . . . . . 6503 1 344 . 1 1 28 28 THR H H 1 7.911 0.020 . 1 . . . . . . . . 6503 1 345 . 1 1 28 28 THR CA C 13 64.609 0.400 . 1 . . . . . . . . 6503 1 346 . 1 1 28 28 THR HA H 1 5.436 0.020 . 1 . . . . . . . . 6503 1 347 . 1 1 28 28 THR C C 13 175.295 0.400 . 1 . . . . . . . . 6503 1 348 . 1 1 28 28 THR CB C 13 67.527 0.400 . 1 . . . . . . . . 6503 1 349 . 1 1 28 28 THR HB H 1 4.110 0.020 . 1 . . . . . . . . 6503 1 350 . 1 1 28 28 THR CG2 C 13 21.281 0.400 . 1 . . . . . . . . 6503 1 351 . 1 1 28 28 THR HG21 H 1 1.069 0.020 . 1 . . . . . . . . 6503 1 352 . 1 1 28 28 THR HG22 H 1 1.069 0.020 . 1 . . . . . . . . 6503 1 353 . 1 1 28 28 THR HG23 H 1 1.069 0.020 . 1 . . . . . . . . 6503 1 354 . 1 1 29 29 PHE N N 15 121.219 0.100 . 1 . . . . . . . . 6503 1 355 . 1 1 29 29 PHE H H 1 8.580 0.020 . 1 . . . . . . . . 6503 1 356 . 1 1 29 29 PHE CA C 13 55.964 0.400 . 1 . . . . . . . . 6503 1 357 . 1 1 29 29 PHE HA H 1 6.289 0.020 . 1 . . . . . . . . 6503 1 358 . 1 1 29 29 PHE C C 13 172.959 0.400 . 1 . . . . . . . . 6503 1 359 . 1 1 29 29 PHE CB C 13 45.402 0.400 . 1 . . . . . . . . 6503 1 360 . 1 1 29 29 PHE HB2 H 1 3.022 0.020 . 2 . . . . . . . . 6503 1 361 . 1 1 29 29 PHE HB3 H 1 2.941 0.020 . 2 . . . . . . . . 6503 1 362 . 1 1 29 29 PHE CD2 C 13 134.045 0.400 . 3 . . . . . . . . 6503 1 363 . 1 1 29 29 PHE HD2 H 1 7.553 0.020 . 3 . . . . . . . . 6503 1 364 . 1 1 30 30 LEU N N 15 113.193 0.100 . 1 . . . . . . . . 6503 1 365 . 1 1 30 30 LEU H H 1 8.788 0.020 . 1 . . . . . . . . 6503 1 366 . 1 1 30 30 LEU CA C 13 54.493 0.400 . 1 . . . . . . . . 6503 1 367 . 1 1 30 30 LEU HA H 1 4.648 0.020 . 1 . . . . . . . . 6503 1 368 . 1 1 30 30 LEU C C 13 175.260 0.400 . 1 . . . . . . . . 6503 1 369 . 1 1 30 30 LEU CB C 13 45.772 0.400 . 1 . . . . . . . . 6503 1 370 . 1 1 30 30 LEU HB2 H 1 1.291 0.020 . 2 . . . . . . . . 6503 1 371 . 1 1 30 30 LEU HB3 H 1 1.325 0.020 . 2 . . . . . . . . 6503 1 372 . 1 1 30 30 LEU CG C 13 25.194 0.400 . 1 . . . . . . . . 6503 1 373 . 1 1 30 30 LEU HG H 1 1.578 0.020 . 1 . . . . . . . . 6503 1 374 . 1 1 30 30 LEU CD1 C 13 27.270 0.400 . 2 . . . . . . . . 6503 1 375 . 1 1 30 30 LEU HD11 H 1 0.149 0.020 . 2 . . . . . . . . 6503 1 376 . 1 1 30 30 LEU HD12 H 1 0.149 0.020 . 2 . . . . . . . . 6503 1 377 . 1 1 30 30 LEU HD13 H 1 0.149 0.020 . 2 . . . . . . . . 6503 1 378 . 1 1 30 30 LEU CD2 C 13 25.355 0.400 . 2 . . . . . . . . 6503 1 379 . 1 1 30 30 LEU HD21 H 1 0.670 0.020 . 2 . . . . . . . . 6503 1 380 . 1 1 30 30 LEU HD22 H 1 0.670 0.020 . 2 . . . . . . . . 6503 1 381 . 1 1 30 30 LEU HD23 H 1 0.670 0.020 . 2 . . . . . . . . 6503 1 382 . 1 1 31 31 VAL N N 15 120.175 0.100 . 1 . . . . . . . . 6503 1 383 . 1 1 31 31 VAL H H 1 9.288 0.020 . 1 . . . . . . . . 6503 1 384 . 1 1 31 31 VAL CA C 13 61.071 0.400 . 1 . . . . . . . . 6503 1 385 . 1 1 31 31 VAL HA H 1 5.454 0.020 . 1 . . . . . . . . 6503 1 386 . 1 1 31 31 VAL C C 13 173.916 0.400 . 1 . . . . . . . . 6503 1 387 . 1 1 31 31 VAL CB C 13 34.442 0.400 . 1 . . . . . . . . 6503 1 388 . 1 1 31 31 VAL HB H 1 2.474 0.020 . 1 . . . . . . . . 6503 1 389 . 1 1 31 31 VAL CG1 C 13 22.881 0.400 . 2 . . . . . . . . 6503 1 390 . 1 1 31 31 VAL HG11 H 1 0.973 0.020 . 2 . . . . . . . . 6503 1 391 . 1 1 31 31 VAL HG12 H 1 0.973 0.020 . 2 . . . . . . . . 6503 1 392 . 1 1 31 31 VAL HG13 H 1 0.973 0.020 . 2 . . . . . . . . 6503 1 393 . 1 1 31 31 VAL CG2 C 13 22.431 0.400 . 2 . . . . . . . . 6503 1 394 . 1 1 31 31 VAL HG21 H 1 1.203 0.020 . 2 . . . . . . . . 6503 1 395 . 1 1 31 31 VAL HG22 H 1 1.203 0.020 . 2 . . . . . . . . 6503 1 396 . 1 1 31 31 VAL HG23 H 1 1.203 0.020 . 2 . . . . . . . . 6503 1 397 . 1 1 32 32 ARG N N 15 123.336 0.100 . 1 . . . . . . . . 6503 1 398 . 1 1 32 32 ARG H H 1 9.319 0.020 . 1 . . . . . . . . 6503 1 399 . 1 1 32 32 ARG CA C 13 52.630 0.400 . 1 . . . . . . . . 6503 1 400 . 1 1 32 32 ARG HA H 1 5.275 0.020 . 1 . . . . . . . . 6503 1 401 . 1 1 32 32 ARG C C 13 175.708 0.400 . 1 . . . . . . . . 6503 1 402 . 1 1 32 32 ARG CB C 13 34.258 0.400 . 1 . . . . . . . . 6503 1 403 . 1 1 32 32 ARG HB2 H 1 2.252 0.020 . 2 . . . . . . . . 6503 1 404 . 1 1 32 32 ARG HB3 H 1 1.293 0.020 . 2 . . . . . . . . 6503 1 405 . 1 1 32 32 ARG CG C 13 26.590 0.400 . 1 . . . . . . . . 6503 1 406 . 1 1 32 32 ARG CD C 13 44.225 0.400 . 1 . . . . . . . . 6503 1 407 . 1 1 32 32 ARG HD2 H 1 2.715 0.020 . 2 . . . . . . . . 6503 1 408 . 1 1 32 32 ARG HD3 H 1 3.250 0.020 . 2 . . . . . . . . 6503 1 409 . 1 1 32 32 ARG NE N 15 84.990 0.100 . 1 . . . . . . . . 6503 1 410 . 1 1 32 32 ARG HE H 1 6.907 0.020 . 1 . . . . . . . . 6503 1 411 . 1 1 32 32 ARG HG3 H 1 1.503 0.020 . 1 . . . . . . . . 6503 1 412 . 1 1 33 33 GLU N N 15 121.823 0.100 . 1 . . . . . . . . 6503 1 413 . 1 1 33 33 GLU H H 1 8.591 0.020 . 1 . . . . . . . . 6503 1 414 . 1 1 33 33 GLU CA C 13 57.477 0.400 . 1 . . . . . . . . 6503 1 415 . 1 1 33 33 GLU HA H 1 4.328 0.020 . 1 . . . . . . . . 6503 1 416 . 1 1 33 33 GLU C C 13 177.207 0.400 . 1 . . . . . . . . 6503 1 417 . 1 1 33 33 GLU CB C 13 30.292 0.400 . 1 . . . . . . . . 6503 1 418 . 1 1 33 33 GLU HB2 H 1 1.857 0.020 . 2 . . . . . . . . 6503 1 419 . 1 1 33 33 GLU HB3 H 1 2.016 0.020 . 2 . . . . . . . . 6503 1 420 . 1 1 33 33 GLU CG C 13 37.028 0.400 . 1 . . . . . . . . 6503 1 421 . 1 1 33 33 GLU HG2 H 1 2.299 0.020 . 2 . . . . . . . . 6503 1 422 . 1 1 33 33 GLU HG3 H 1 2.478 0.020 . 2 . . . . . . . . 6503 1 423 . 1 1 34 34 SER N N 15 116.522 0.100 . 1 . . . . . . . . 6503 1 424 . 1 1 34 34 SER H H 1 7.951 0.020 . 1 . . . . . . . . 6503 1 425 . 1 1 34 34 SER CA C 13 58.397 0.400 . 1 . . . . . . . . 6503 1 426 . 1 1 34 34 SER HA H 1 4.202 0.020 . 1 . . . . . . . . 6503 1 427 . 1 1 34 34 SER C C 13 176.101 0.400 . 1 . . . . . . . . 6503 1 428 . 1 1 34 34 SER CB C 13 63.545 0.400 . 1 . . . . . . . . 6503 1 429 . 1 1 34 34 SER HB2 H 1 3.636 0.020 . 2 . . . . . . . . 6503 1 430 . 1 1 34 34 SER HB3 H 1 3.980 0.020 . 2 . . . . . . . . 6503 1 431 . 1 1 35 35 GLU N N 15 127.218 0.100 . 1 . . . . . . . . 6503 1 432 . 1 1 35 35 GLU H H 1 9.363 0.020 . 1 . . . . . . . . 6503 1 433 . 1 1 35 35 GLU CA C 13 58.005 0.400 . 1 . . . . . . . . 6503 1 434 . 1 1 35 35 GLU HA H 1 4.291 0.020 . 1 . . . . . . . . 6503 1 435 . 1 1 35 35 GLU C C 13 177.700 0.400 . 1 . . . . . . . . 6503 1 436 . 1 1 35 35 GLU CB C 13 30.464 0.400 . 1 . . . . . . . . 6503 1 437 . 1 1 35 35 GLU HB2 H 1 2.108 0.020 . 2 . . . . . . . . 6503 1 438 . 1 1 35 35 GLU HB3 H 1 2.155 0.020 . 2 . . . . . . . . 6503 1 439 . 1 1 35 35 GLU CG C 13 37.215 0.400 . 1 . . . . . . . . 6503 1 440 . 1 1 35 35 GLU HG2 H 1 2.274 0.020 . 2 . . . . . . . . 6503 1 441 . 1 1 35 35 GLU HG3 H 1 2.487 0.020 . 2 . . . . . . . . 6503 1 442 . 1 1 36 36 THR N N 15 108.656 0.100 . 1 . . . . . . . . 6503 1 443 . 1 1 36 36 THR H H 1 7.850 0.020 . 1 . . . . . . . . 6503 1 444 . 1 1 36 36 THR CA C 13 62.313 0.400 . 1 . . . . . . . . 6503 1 445 . 1 1 36 36 THR HA H 1 4.419 0.020 . 1 . . . . . . . . 6503 1 446 . 1 1 36 36 THR C C 13 175.802 0.400 . 1 . . . . . . . . 6503 1 447 . 1 1 36 36 THR CB C 13 70.551 0.400 . 1 . . . . . . . . 6503 1 448 . 1 1 36 36 THR HB H 1 4.174 0.020 . 1 . . . . . . . . 6503 1 449 . 1 1 36 36 THR CG2 C 13 21.875 0.400 . 1 . . . . . . . . 6503 1 450 . 1 1 36 36 THR HG21 H 1 1.170 0.020 . 1 . . . . . . . . 6503 1 451 . 1 1 36 36 THR HG22 H 1 1.170 0.020 . 1 . . . . . . . . 6503 1 452 . 1 1 36 36 THR HG23 H 1 1.170 0.020 . 1 . . . . . . . . 6503 1 453 . 1 1 37 37 THR N N 15 119.952 0.100 . 1 . . . . . . . . 6503 1 454 . 1 1 37 37 THR H H 1 7.683 0.020 . 1 . . . . . . . . 6503 1 455 . 1 1 37 37 THR CA C 13 61.603 0.400 . 1 . . . . . . . . 6503 1 456 . 1 1 37 37 THR HA H 1 4.428 0.020 . 1 . . . . . . . . 6503 1 457 . 1 1 37 37 THR C C 13 173.614 0.400 . 1 . . . . . . . . 6503 1 458 . 1 1 37 37 THR CB C 13 70.988 0.400 . 1 . . . . . . . . 6503 1 459 . 1 1 37 37 THR HB H 1 3.802 0.020 . 1 . . . . . . . . 6503 1 460 . 1 1 37 37 THR CG2 C 13 21.599 0.400 . 1 . . . . . . . . 6503 1 461 . 1 1 37 37 THR HG21 H 1 1.152 0.020 . 1 . . . . . . . . 6503 1 462 . 1 1 37 37 THR HG22 H 1 1.152 0.020 . 1 . . . . . . . . 6503 1 463 . 1 1 37 37 THR HG23 H 1 1.152 0.020 . 1 . . . . . . . . 6503 1 464 . 1 1 38 38 LYS N N 15 128.582 0.100 . 1 . . . . . . . . 6503 1 465 . 1 1 38 38 LYS H H 1 8.600 0.020 . 1 . . . . . . . . 6503 1 466 . 1 1 38 38 LYS CA C 13 57.740 0.400 . 1 . . . . . . . . 6503 1 467 . 1 1 38 38 LYS HA H 1 4.148 0.020 . 1 . . . . . . . . 6503 1 468 . 1 1 38 38 LYS C C 13 178.559 0.400 . 1 . . . . . . . . 6503 1 469 . 1 1 38 38 LYS CB C 13 31.840 0.400 . 1 . . . . . . . . 6503 1 470 . 1 1 38 38 LYS CG C 13 24.698 0.400 . 1 . . . . . . . . 6503 1 471 . 1 1 38 38 LYS HG2 H 1 1.407 0.020 . 2 . . . . . . . . 6503 1 472 . 1 1 38 38 LYS HG3 H 1 1.508 0.020 . 2 . . . . . . . . 6503 1 473 . 1 1 38 38 LYS CD C 13 29.262 0.400 . 1 . . . . . . . . 6503 1 474 . 1 1 38 38 LYS CE C 13 42.251 0.400 . 1 . . . . . . . . 6503 1 475 . 1 1 38 38 LYS HB3 H 1 1.766 0.020 . 1 . . . . . . . . 6503 1 476 . 1 1 38 38 LYS HD3 H 1 1.700 0.020 . 1 . . . . . . . . 6503 1 477 . 1 1 38 38 LYS HE3 H 1 3.010 0.020 . 1 . . . . . . . . 6503 1 478 . 1 1 39 39 GLY N N 15 114.521 0.100 . 1 . . . . . . . . 6503 1 479 . 1 1 39 39 GLY H H 1 8.910 0.020 . 1 . . . . . . . . 6503 1 480 . 1 1 39 39 GLY CA C 13 45.486 0.400 . 1 . . . . . . . . 6503 1 481 . 1 1 39 39 GLY HA2 H 1 3.648 0.020 . 1 . . . . . . . . 6503 1 482 . 1 1 39 39 GLY HA3 H 1 4.164 0.020 . 1 . . . . . . . . 6503 1 483 . 1 1 39 39 GLY C C 13 172.940 0.400 . 1 . . . . . . . . 6503 1 484 . 1 1 40 40 ALA N N 15 120.157 0.100 . 1 . . . . . . . . 6503 1 485 . 1 1 40 40 ALA H H 1 7.444 0.020 . 1 . . . . . . . . 6503 1 486 . 1 1 40 40 ALA CA C 13 50.091 0.400 . 1 . . . . . . . . 6503 1 487 . 1 1 40 40 ALA HA H 1 4.909 0.020 . 1 . . . . . . . . 6503 1 488 . 1 1 40 40 ALA C C 13 177.182 0.400 . 1 . . . . . . . . 6503 1 489 . 1 1 40 40 ALA CB C 13 20.251 0.400 . 1 . . . . . . . . 6503 1 490 . 1 1 40 40 ALA HB1 H 1 1.537 0.020 . 1 . . . . . . . . 6503 1 491 . 1 1 40 40 ALA HB2 H 1 1.537 0.020 . 1 . . . . . . . . 6503 1 492 . 1 1 40 40 ALA HB3 H 1 1.537 0.020 . 1 . . . . . . . . 6503 1 493 . 1 1 41 41 TYR N N 15 117.291 0.100 . 1 . . . . . . . . 6503 1 494 . 1 1 41 41 TYR H H 1 8.704 0.020 . 1 . . . . . . . . 6503 1 495 . 1 1 41 41 TYR CA C 13 57.366 0.400 . 1 . . . . . . . . 6503 1 496 . 1 1 41 41 TYR HA H 1 5.331 0.020 . 1 . . . . . . . . 6503 1 497 . 1 1 41 41 TYR C C 13 175.271 0.400 . 1 . . . . . . . . 6503 1 498 . 1 1 41 41 TYR CB C 13 43.319 0.400 . 1 . . . . . . . . 6503 1 499 . 1 1 41 41 TYR HB2 H 1 2.610 0.020 . 2 . . . . . . . . 6503 1 500 . 1 1 41 41 TYR HB3 H 1 3.209 0.020 . 2 . . . . . . . . 6503 1 501 . 1 1 41 41 TYR CD2 C 13 132.735 0.400 . 3 . . . . . . . . 6503 1 502 . 1 1 41 41 TYR HD2 H 1 7.000 0.020 . 3 . . . . . . . . 6503 1 503 . 1 1 41 41 TYR CE2 C 13 118.914 0.400 . 3 . . . . . . . . 6503 1 504 . 1 1 41 41 TYR HE2 H 1 7.132 0.020 . 3 . . . . . . . . 6503 1 505 . 1 1 42 42 CYS N N 15 120.292 0.100 . 1 . . . . . . . . 6503 1 506 . 1 1 42 42 CYS H H 1 9.721 0.020 . 1 . . . . . . . . 6503 1 507 . 1 1 42 42 CYS CA C 13 57.555 0.400 . 1 . . . . . . . . 6503 1 508 . 1 1 42 42 CYS HA H 1 5.346 0.020 . 1 . . . . . . . . 6503 1 509 . 1 1 42 42 CYS C C 13 172.642 0.400 . 1 . . . . . . . . 6503 1 510 . 1 1 42 42 CYS CB C 13 30.400 0.400 . 1 . . . . . . . . 6503 1 511 . 1 1 42 42 CYS HB2 H 1 2.616 0.020 . 2 . . . . . . . . 6503 1 512 . 1 1 42 42 CYS HB3 H 1 2.735 0.020 . 2 . . . . . . . . 6503 1 513 . 1 1 43 43 LEU N N 15 130.108 0.100 . 1 . . . . . . . . 6503 1 514 . 1 1 43 43 LEU H H 1 9.519 0.020 . 1 . . . . . . . . 6503 1 515 . 1 1 43 43 LEU CA C 13 53.571 0.400 . 1 . . . . . . . . 6503 1 516 . 1 1 43 43 LEU HA H 1 5.242 0.020 . 1 . . . . . . . . 6503 1 517 . 1 1 43 43 LEU C C 13 175.113 0.400 . 1 . . . . . . . . 6503 1 518 . 1 1 43 43 LEU CB C 13 45.061 0.400 . 1 . . . . . . . . 6503 1 519 . 1 1 43 43 LEU HB2 H 1 1.340 0.020 . 2 . . . . . . . . 6503 1 520 . 1 1 43 43 LEU HB3 H 1 2.117 0.020 . 2 . . . . . . . . 6503 1 521 . 1 1 43 43 LEU CG C 13 27.393 0.400 . 1 . . . . . . . . 6503 1 522 . 1 1 43 43 LEU HG H 1 1.550 0.020 . 1 . . . . . . . . 6503 1 523 . 1 1 43 43 LEU CD1 C 13 27.025 0.400 . 2 . . . . . . . . 6503 1 524 . 1 1 43 43 LEU HD11 H 1 0.492 0.020 . 2 . . . . . . . . 6503 1 525 . 1 1 43 43 LEU HD12 H 1 0.492 0.020 . 2 . . . . . . . . 6503 1 526 . 1 1 43 43 LEU HD13 H 1 0.492 0.020 . 2 . . . . . . . . 6503 1 527 . 1 1 43 43 LEU CD2 C 13 24.444 0.400 . 2 . . . . . . . . 6503 1 528 . 1 1 43 43 LEU HD21 H 1 0.816 0.020 . 2 . . . . . . . . 6503 1 529 . 1 1 43 43 LEU HD22 H 1 0.816 0.020 . 2 . . . . . . . . 6503 1 530 . 1 1 43 43 LEU HD23 H 1 0.816 0.020 . 2 . . . . . . . . 6503 1 531 . 1 1 44 44 SER N N 15 127.313 0.100 . 1 . . . . . . . . 6503 1 532 . 1 1 44 44 SER H H 1 9.135 0.020 . 1 . . . . . . . . 6503 1 533 . 1 1 44 44 SER CA C 13 59.127 0.400 . 1 . . . . . . . . 6503 1 534 . 1 1 44 44 SER HA H 1 5.534 0.020 . 1 . . . . . . . . 6503 1 535 . 1 1 44 44 SER C C 13 173.210 0.400 . 1 . . . . . . . . 6503 1 536 . 1 1 44 44 SER CB C 13 65.374 0.400 . 1 . . . . . . . . 6503 1 537 . 1 1 44 44 SER HB2 H 1 3.379 0.020 . 2 . . . . . . . . 6503 1 538 . 1 1 44 44 SER HB3 H 1 3.530 0.020 . 2 . . . . . . . . 6503 1 539 . 1 1 45 45 VAL N N 15 123.522 0.100 . 1 . . . . . . . . 6503 1 540 . 1 1 45 45 VAL H H 1 8.959 0.020 . 1 . . . . . . . . 6503 1 541 . 1 1 45 45 VAL CA C 13 60.385 0.400 . 1 . . . . . . . . 6503 1 542 . 1 1 45 45 VAL HA H 1 5.172 0.020 . 1 . . . . . . . . 6503 1 543 . 1 1 45 45 VAL C C 13 175.579 0.400 . 1 . . . . . . . . 6503 1 544 . 1 1 45 45 VAL CB C 13 37.162 0.400 . 1 . . . . . . . . 6503 1 545 . 1 1 45 45 VAL HB H 1 1.905 0.020 . 1 . . . . . . . . 6503 1 546 . 1 1 45 45 VAL CG1 C 13 22.169 0.400 . 2 . . . . . . . . 6503 1 547 . 1 1 45 45 VAL HG11 H 1 0.941 0.020 . 2 . . . . . . . . 6503 1 548 . 1 1 45 45 VAL HG12 H 1 0.941 0.020 . 2 . . . . . . . . 6503 1 549 . 1 1 45 45 VAL HG13 H 1 0.941 0.020 . 2 . . . . . . . . 6503 1 550 . 1 1 45 45 VAL CG2 C 13 21.161 0.400 . 2 . . . . . . . . 6503 1 551 . 1 1 45 45 VAL HG21 H 1 1.002 0.020 . 2 . . . . . . . . 6503 1 552 . 1 1 45 45 VAL HG22 H 1 1.002 0.020 . 2 . . . . . . . . 6503 1 553 . 1 1 45 45 VAL HG23 H 1 1.002 0.020 . 2 . . . . . . . . 6503 1 554 . 1 1 46 46 SER N N 15 123.935 0.100 . 1 . . . . . . . . 6503 1 555 . 1 1 46 46 SER H H 1 9.829 0.020 . 1 . . . . . . . . 6503 1 556 . 1 1 46 46 SER CA C 13 59.143 0.400 . 1 . . . . . . . . 6503 1 557 . 1 1 46 46 SER HA H 1 4.547 0.020 . 1 . . . . . . . . 6503 1 558 . 1 1 46 46 SER C C 13 173.303 0.400 . 1 . . . . . . . . 6503 1 559 . 1 1 46 46 SER CB C 13 64.727 0.400 . 1 . . . . . . . . 6503 1 560 . 1 1 46 46 SER HB2 H 1 3.845 0.020 . 2 . . . . . . . . 6503 1 561 . 1 1 46 46 SER HB3 H 1 4.009 0.020 . 2 . . . . . . . . 6503 1 562 . 1 1 47 47 ASP N N 15 123.230 0.100 . 1 . . . . . . . . 6503 1 563 . 1 1 47 47 ASP H H 1 9.096 0.020 . 1 . . . . . . . . 6503 1 564 . 1 1 47 47 ASP CA C 13 52.339 0.400 . 1 . . . . . . . . 6503 1 565 . 1 1 47 47 ASP HA H 1 5.119 0.020 . 1 . . . . . . . . 6503 1 566 . 1 1 47 47 ASP C C 13 175.474 0.400 . 1 . . . . . . . . 6503 1 567 . 1 1 47 47 ASP CB C 13 45.555 0.400 . 1 . . . . . . . . 6503 1 568 . 1 1 47 47 ASP HB2 H 1 2.445 0.020 . 2 . . . . . . . . 6503 1 569 . 1 1 47 47 ASP HB3 H 1 2.713 0.020 . 2 . . . . . . . . 6503 1 570 . 1 1 48 48 PHE N N 15 120.103 0.100 . 1 . . . . . . . . 6503 1 571 . 1 1 48 48 PHE H H 1 8.061 0.020 . 1 . . . . . . . . 6503 1 572 . 1 1 48 48 PHE CA C 13 58.100 0.400 . 1 . . . . . . . . 6503 1 573 . 1 1 48 48 PHE HA H 1 4.719 0.020 . 1 . . . . . . . . 6503 1 574 . 1 1 48 48 PHE C C 13 174.194 0.400 . 1 . . . . . . . . 6503 1 575 . 1 1 48 48 PHE CB C 13 43.216 0.400 . 1 . . . . . . . . 6503 1 576 . 1 1 48 48 PHE HB2 H 1 2.606 0.020 . 2 . . . . . . . . 6503 1 577 . 1 1 48 48 PHE HB3 H 1 2.970 0.020 . 2 . . . . . . . . 6503 1 578 . 1 1 48 48 PHE CD2 C 13 131.199 0.400 . 3 . . . . . . . . 6503 1 579 . 1 1 48 48 PHE HD2 H 1 6.958 0.020 . 3 . . . . . . . . 6503 1 580 . 1 1 48 48 PHE CE2 C 13 131.609 0.400 . 3 . . . . . . . . 6503 1 581 . 1 1 48 48 PHE HE2 H 1 7.334 0.020 . 3 . . . . . . . . 6503 1 582 . 1 1 49 49 ASP N N 15 124.599 0.100 . 1 . . . . . . . . 6503 1 583 . 1 1 49 49 ASP H H 1 7.129 0.020 . 1 . . . . . . . . 6503 1 584 . 1 1 49 49 ASP CA C 13 52.991 0.400 . 1 . . . . . . . . 6503 1 585 . 1 1 49 49 ASP HA H 1 4.519 0.020 . 1 . . . . . . . . 6503 1 586 . 1 1 49 49 ASP C C 13 175.479 0.400 . 1 . . . . . . . . 6503 1 587 . 1 1 49 49 ASP CB C 13 44.294 0.400 . 1 . . . . . . . . 6503 1 588 . 1 1 49 49 ASP HB2 H 1 2.567 0.020 . 2 . . . . . . . . 6503 1 589 . 1 1 49 49 ASP HB3 H 1 2.713 0.020 . 2 . . . . . . . . 6503 1 590 . 1 1 50 50 ASN N N 15 118.611 0.100 . 1 . . . . . . . . 6503 1 591 . 1 1 50 50 ASN H H 1 8.596 0.020 . 1 . . . . . . . . 6503 1 592 . 1 1 50 50 ASN CA C 13 55.856 0.400 . 1 . . . . . . . . 6503 1 593 . 1 1 50 50 ASN HA H 1 4.316 0.020 . 1 . . . . . . . . 6503 1 594 . 1 1 50 50 ASN C C 13 175.987 0.400 . 1 . . . . . . . . 6503 1 595 . 1 1 50 50 ASN CB C 13 38.500 0.400 . 1 . . . . . . . . 6503 1 596 . 1 1 50 50 ASN HB2 H 1 2.796 0.020 . 2 . . . . . . . . 6503 1 597 . 1 1 50 50 ASN HB3 H 1 2.813 0.020 . 2 . . . . . . . . 6503 1 598 . 1 1 50 50 ASN CG C 13 177.251 0.400 . 1 . . . . . . . . 6503 1 599 . 1 1 50 50 ASN ND2 N 15 112.773 0.100 . 1 . . . . . . . . 6503 1 600 . 1 1 50 50 ASN HD21 H 1 7.677 0.020 . 1 . . . . . . . . 6503 1 601 . 1 1 50 50 ASN HD22 H 1 7.002 0.020 . 1 . . . . . . . . 6503 1 602 . 1 1 51 51 ALA N N 15 121.767 0.100 . 1 . . . . . . . . 6503 1 603 . 1 1 51 51 ALA H H 1 8.364 0.020 . 1 . . . . . . . . 6503 1 604 . 1 1 51 51 ALA CA C 13 53.725 0.400 . 1 . . . . . . . . 6503 1 605 . 1 1 51 51 ALA HA H 1 4.386 0.020 . 1 . . . . . . . . 6503 1 606 . 1 1 51 51 ALA C C 13 179.521 0.400 . 1 . . . . . . . . 6503 1 607 . 1 1 51 51 ALA CB C 13 19.661 0.400 . 1 . . . . . . . . 6503 1 608 . 1 1 51 51 ALA HB1 H 1 1.391 0.020 . 1 . . . . . . . . 6503 1 609 . 1 1 51 51 ALA HB2 H 1 1.391 0.020 . 1 . . . . . . . . 6503 1 610 . 1 1 51 51 ALA HB3 H 1 1.391 0.020 . 1 . . . . . . . . 6503 1 611 . 1 1 52 52 LYS N N 15 117.065 0.100 . 1 . . . . . . . . 6503 1 612 . 1 1 52 52 LYS H H 1 8.637 0.020 . 1 . . . . . . . . 6503 1 613 . 1 1 52 52 LYS CA C 13 56.304 0.400 . 1 . . . . . . . . 6503 1 614 . 1 1 52 52 LYS HA H 1 4.200 0.020 . 1 . . . . . . . . 6503 1 615 . 1 1 52 52 LYS C C 13 177.776 0.400 . 1 . . . . . . . . 6503 1 616 . 1 1 52 52 LYS CB C 13 33.795 0.400 . 1 . . . . . . . . 6503 1 617 . 1 1 52 52 LYS HB2 H 1 1.580 0.020 . 2 . . . . . . . . 6503 1 618 . 1 1 52 52 LYS HB3 H 1 1.701 0.020 . 2 . . . . . . . . 6503 1 619 . 1 1 52 52 LYS CG C 13 25.084 0.400 . 1 . . . . . . . . 6503 1 620 . 1 1 52 52 LYS HG2 H 1 1.314 0.020 . 2 . . . . . . . . 6503 1 621 . 1 1 52 52 LYS HG3 H 1 1.381 0.020 . 2 . . . . . . . . 6503 1 622 . 1 1 52 52 LYS CD C 13 28.896 0.400 . 1 . . . . . . . . 6503 1 623 . 1 1 52 52 LYS HD2 H 1 1.518 0.020 . 2 . . . . . . . . 6503 1 624 . 1 1 52 52 LYS HD3 H 1 1.542 0.020 . 2 . . . . . . . . 6503 1 625 . 1 1 52 52 LYS CE C 13 42.185 0.400 . 1 . . . . . . . . 6503 1 626 . 1 1 52 52 LYS HE3 H 1 2.906 0.020 . 1 . . . . . . . . 6503 1 627 . 1 1 53 53 GLY N N 15 109.362 0.100 . 1 . . . . . . . . 6503 1 628 . 1 1 53 53 GLY H H 1 7.934 0.020 . 1 . . . . . . . . 6503 1 629 . 1 1 53 53 GLY CA C 13 44.737 0.400 . 1 . . . . . . . . 6503 1 630 . 1 1 53 53 GLY HA2 H 1 3.307 0.020 . 1 . . . . . . . . 6503 1 631 . 1 1 53 53 GLY HA3 H 1 4.033 0.020 . 1 . . . . . . . . 6503 1 632 . 1 1 53 53 GLY C C 13 175.189 0.400 . 1 . . . . . . . . 6503 1 633 . 1 1 54 54 LEU N N 15 126.350 0.100 . 1 . . . . . . . . 6503 1 634 . 1 1 54 54 LEU H H 1 8.627 0.020 . 1 . . . . . . . . 6503 1 635 . 1 1 54 54 LEU CA C 13 55.928 0.400 . 1 . . . . . . . . 6503 1 636 . 1 1 54 54 LEU HA H 1 4.782 0.020 . 1 . . . . . . . . 6503 1 637 . 1 1 54 54 LEU C C 13 177.133 0.400 . 1 . . . . . . . . 6503 1 638 . 1 1 54 54 LEU CB C 13 42.988 0.400 . 1 . . . . . . . . 6503 1 639 . 1 1 54 54 LEU HB2 H 1 1.600 0.020 . 2 . . . . . . . . 6503 1 640 . 1 1 54 54 LEU HB3 H 1 1.768 0.020 . 2 . . . . . . . . 6503 1 641 . 1 1 54 54 LEU CG C 13 27.445 0.400 . 1 . . . . . . . . 6503 1 642 . 1 1 54 54 LEU HG H 1 1.829 0.020 . 1 . . . . . . . . 6503 1 643 . 1 1 54 54 LEU CD2 C 13 24.939 0.400 . 1 . . . . . . . . 6503 1 644 . 1 1 54 54 LEU HD21 H 1 1.058 0.020 . 1 . . . . . . . . 6503 1 645 . 1 1 54 54 LEU HD22 H 1 1.058 0.020 . 1 . . . . . . . . 6503 1 646 . 1 1 54 54 LEU HD23 H 1 1.058 0.020 . 1 . . . . . . . . 6503 1 647 . 1 1 55 55 ASN N N 15 119.826 0.100 . 1 . . . . . . . . 6503 1 648 . 1 1 55 55 ASN H H 1 8.608 0.020 . 1 . . . . . . . . 6503 1 649 . 1 1 55 55 ASN CA C 13 52.791 0.400 . 1 . . . . . . . . 6503 1 650 . 1 1 55 55 ASN HA H 1 4.738 0.020 . 1 . . . . . . . . 6503 1 651 . 1 1 55 55 ASN C C 13 171.413 0.400 . 1 . . . . . . . . 6503 1 652 . 1 1 55 55 ASN CB C 13 41.776 0.400 . 1 . . . . . . . . 6503 1 653 . 1 1 55 55 ASN HB2 H 1 2.543 0.020 . 2 . . . . . . . . 6503 1 654 . 1 1 55 55 ASN HB3 H 1 2.587 0.020 . 2 . . . . . . . . 6503 1 655 . 1 1 55 55 ASN CG C 13 176.947 0.400 . 1 . . . . . . . . 6503 1 656 . 1 1 55 55 ASN ND2 N 15 113.736 0.100 . 1 . . . . . . . . 6503 1 657 . 1 1 55 55 ASN HD21 H 1 7.191 0.020 . 1 . . . . . . . . 6503 1 658 . 1 1 55 55 ASN HD22 H 1 7.158 0.020 . 1 . . . . . . . . 6503 1 659 . 1 1 56 56 VAL N N 15 120.041 0.100 . 1 . . . . . . . . 6503 1 660 . 1 1 56 56 VAL H H 1 8.499 0.020 . 1 . . . . . . . . 6503 1 661 . 1 1 56 56 VAL CA C 13 60.911 0.400 . 1 . . . . . . . . 6503 1 662 . 1 1 56 56 VAL HA H 1 4.580 0.020 . 1 . . . . . . . . 6503 1 663 . 1 1 56 56 VAL C C 13 175.477 0.400 . 1 . . . . . . . . 6503 1 664 . 1 1 56 56 VAL CB C 13 34.527 0.400 . 1 . . . . . . . . 6503 1 665 . 1 1 56 56 VAL HB H 1 1.584 0.020 . 1 . . . . . . . . 6503 1 666 . 1 1 56 56 VAL CG1 C 13 22.564 0.400 . 2 . . . . . . . . 6503 1 667 . 1 1 56 56 VAL HG11 H 1 0.233 0.020 . 2 . . . . . . . . 6503 1 668 . 1 1 56 56 VAL HG12 H 1 0.233 0.020 . 2 . . . . . . . . 6503 1 669 . 1 1 56 56 VAL HG13 H 1 0.233 0.020 . 2 . . . . . . . . 6503 1 670 . 1 1 56 56 VAL CG2 C 13 23.255 0.400 . 2 . . . . . . . . 6503 1 671 . 1 1 56 56 VAL HG21 H 1 0.738 0.020 . 2 . . . . . . . . 6503 1 672 . 1 1 56 56 VAL HG22 H 1 0.738 0.020 . 2 . . . . . . . . 6503 1 673 . 1 1 56 56 VAL HG23 H 1 0.738 0.020 . 2 . . . . . . . . 6503 1 674 . 1 1 57 57 LYS N N 15 127.926 0.100 . 1 . . . . . . . . 6503 1 675 . 1 1 57 57 LYS H H 1 8.837 0.020 . 1 . . . . . . . . 6503 1 676 . 1 1 57 57 LYS CA C 13 54.328 0.400 . 1 . . . . . . . . 6503 1 677 . 1 1 57 57 LYS HA H 1 4.332 0.020 . 1 . . . . . . . . 6503 1 678 . 1 1 57 57 LYS CB C 13 35.901 0.400 . 1 . . . . . . . . 6503 1 679 . 1 1 57 57 LYS HB2 H 1 1.715 0.020 . 2 . . . . . . . . 6503 1 680 . 1 1 57 57 LYS HB3 H 1 1.326 0.020 . 2 . . . . . . . . 6503 1 681 . 1 1 57 57 LYS CG C 13 26.927 0.400 . 1 . . . . . . . . 6503 1 682 . 1 1 57 57 LYS CD C 13 28.772 0.400 . 1 . . . . . . . . 6503 1 683 . 1 1 57 57 LYS HD2 H 1 1.584 0.020 . 2 . . . . . . . . 6503 1 684 . 1 1 57 57 LYS HD3 H 1 1.661 0.020 . 2 . . . . . . . . 6503 1 685 . 1 1 57 57 LYS CE C 13 42.980 0.400 . 1 . . . . . . . . 6503 1 686 . 1 1 57 57 LYS HE2 H 1 2.932 0.020 . 1 . . . . . . . . 6503 1 687 . 1 1 57 57 LYS HE3 H 1 2.978 0.020 . 1 . . . . . . . . 6503 1 688 . 1 1 57 57 LYS HG3 H 1 1.407 0.020 . 1 . . . . . . . . 6503 1 689 . 1 1 58 58 HIS N N 15 118.813 0.100 . 1 . . . . . . . . 6503 1 690 . 1 1 58 58 HIS H H 1 8.020 0.020 . 1 . . . . . . . . 6503 1 691 . 1 1 58 58 HIS CA C 13 54.504 0.400 . 1 . . . . . . . . 6503 1 692 . 1 1 58 58 HIS HA H 1 5.217 0.020 . 1 . . . . . . . . 6503 1 693 . 1 1 58 58 HIS C C 13 175.935 0.400 . 1 . . . . . . . . 6503 1 694 . 1 1 58 58 HIS CB C 13 33.383 0.400 . 1 . . . . . . . . 6503 1 695 . 1 1 58 58 HIS HB2 H 1 2.733 0.020 . 2 . . . . . . . . 6503 1 696 . 1 1 58 58 HIS HB3 H 1 2.582 0.020 . 2 . . . . . . . . 6503 1 697 . 1 1 58 58 HIS CD2 C 13 120.072 0.400 . 1 . . . . . . . . 6503 1 698 . 1 1 58 58 HIS HD2 H 1 6.961 0.020 . 2 . . . . . . . . 6503 1 699 . 1 1 58 58 HIS CE1 C 13 139.014 0.400 . 1 . . . . . . . . 6503 1 700 . 1 1 58 58 HIS HE1 H 1 7.634 0.020 . 1 . . . . . . . . 6503 1 701 . 1 1 59 59 TYR N N 15 123.727 0.100 . 1 . . . . . . . . 6503 1 702 . 1 1 59 59 TYR H H 1 9.753 0.020 . 1 . . . . . . . . 6503 1 703 . 1 1 59 59 TYR CA C 13 56.768 0.400 . 1 . . . . . . . . 6503 1 704 . 1 1 59 59 TYR HA H 1 4.761 0.020 . 1 . . . . . . . . 6503 1 705 . 1 1 59 59 TYR C C 13 175.581 0.400 . 1 . . . . . . . . 6503 1 706 . 1 1 59 59 TYR CB C 13 40.625 0.400 . 1 . . . . . . . . 6503 1 707 . 1 1 59 59 TYR HB3 H 1 2.891 0.020 . 1 . . . . . . . . 6503 1 708 . 1 1 59 59 TYR CD2 C 13 133.623 0.400 . 3 . . . . . . . . 6503 1 709 . 1 1 59 59 TYR HD2 H 1 7.081 0.020 . 3 . . . . . . . . 6503 1 710 . 1 1 59 59 TYR CE2 C 13 118.143 0.400 . 3 . . . . . . . . 6503 1 711 . 1 1 59 59 TYR HE2 H 1 6.729 0.020 . 3 . . . . . . . . 6503 1 712 . 1 1 60 60 LYS N N 15 125.522 0.100 . 1 . . . . . . . . 6503 1 713 . 1 1 60 60 LYS H H 1 8.940 0.020 . 1 . . . . . . . . 6503 1 714 . 1 1 60 60 LYS CA C 13 57.859 0.400 . 1 . . . . . . . . 6503 1 715 . 1 1 60 60 LYS HA H 1 4.433 0.020 . 1 . . . . . . . . 6503 1 716 . 1 1 60 60 LYS C C 13 176.025 0.400 . 1 . . . . . . . . 6503 1 717 . 1 1 60 60 LYS CB C 13 32.789 0.400 . 1 . . . . . . . . 6503 1 718 . 1 1 60 60 LYS CG C 13 25.430 0.400 . 1 . . . . . . . . 6503 1 719 . 1 1 60 60 LYS HG2 H 1 1.422 0.020 . 2 . . . . . . . . 6503 1 720 . 1 1 60 60 LYS HG3 H 1 1.623 0.020 . 2 . . . . . . . . 6503 1 721 . 1 1 60 60 LYS CD C 13 29.457 0.400 . 1 . . . . . . . . 6503 1 722 . 1 1 60 60 LYS CE C 13 42.083 0.400 . 1 . . . . . . . . 6503 1 723 . 1 1 60 60 LYS HB3 H 1 1.822 0.020 . 1 . . . . . . . . 6503 1 724 . 1 1 60 60 LYS HD3 H 1 1.667 0.020 . 1 . . . . . . . . 6503 1 725 . 1 1 60 60 LYS HE3 H 1 2.958 0.020 . 1 . . . . . . . . 6503 1 726 . 1 1 61 61 ILE N N 15 126.744 0.100 . 1 . . . . . . . . 6503 1 727 . 1 1 61 61 ILE H H 1 8.772 0.020 . 1 . . . . . . . . 6503 1 728 . 1 1 61 61 ILE CA C 13 60.655 0.400 . 1 . . . . . . . . 6503 1 729 . 1 1 61 61 ILE HA H 1 4.344 0.020 . 1 . . . . . . . . 6503 1 730 . 1 1 61 61 ILE C C 13 175.909 0.400 . 1 . . . . . . . . 6503 1 731 . 1 1 61 61 ILE CB C 13 38.789 0.400 . 1 . . . . . . . . 6503 1 732 . 1 1 61 61 ILE HB H 1 1.773 0.020 . 1 . . . . . . . . 6503 1 733 . 1 1 61 61 ILE CG1 C 13 26.754 0.400 . 1 . . . . . . . . 6503 1 734 . 1 1 61 61 ILE CG2 C 13 18.929 0.400 . 1 . . . . . . . . 6503 1 735 . 1 1 61 61 ILE HG21 H 1 0.953 0.020 . 1 . . . . . . . . 6503 1 736 . 1 1 61 61 ILE HG22 H 1 0.953 0.020 . 1 . . . . . . . . 6503 1 737 . 1 1 61 61 ILE HG23 H 1 0.953 0.020 . 1 . . . . . . . . 6503 1 738 . 1 1 61 61 ILE CD1 C 13 15.263 0.400 . 1 . . . . . . . . 6503 1 739 . 1 1 61 61 ILE HD11 H 1 0.787 0.020 . 1 . . . . . . . . 6503 1 740 . 1 1 61 61 ILE HD12 H 1 0.787 0.020 . 1 . . . . . . . . 6503 1 741 . 1 1 61 61 ILE HD13 H 1 0.787 0.020 . 1 . . . . . . . . 6503 1 742 . 1 1 61 61 ILE HG13 H 1 1.737 0.020 . 1 . . . . . . . . 6503 1 743 . 1 1 62 62 ARG N N 15 127.430 0.100 . 1 . . . . . . . . 6503 1 744 . 1 1 62 62 ARG H H 1 8.471 0.020 . 1 . . . . . . . . 6503 1 745 . 1 1 62 62 ARG CA C 13 54.721 0.400 . 1 . . . . . . . . 6503 1 746 . 1 1 62 62 ARG HA H 1 4.519 0.020 . 1 . . . . . . . . 6503 1 747 . 1 1 62 62 ARG C C 13 174.725 0.400 . 1 . . . . . . . . 6503 1 748 . 1 1 62 62 ARG CB C 13 32.164 0.400 . 1 . . . . . . . . 6503 1 749 . 1 1 62 62 ARG HB2 H 1 0.654 0.020 . 2 . . . . . . . . 6503 1 750 . 1 1 62 62 ARG HB3 H 1 1.492 0.020 . 2 . . . . . . . . 6503 1 751 . 1 1 62 62 ARG CG C 13 28.420 0.400 . 1 . . . . . . . . 6503 1 752 . 1 1 62 62 ARG CD C 13 43.459 0.400 . 1 . . . . . . . . 6503 1 753 . 1 1 62 62 ARG HD2 H 1 3.096 0.020 . 2 . . . . . . . . 6503 1 754 . 1 1 62 62 ARG HD3 H 1 3.124 0.020 . 2 . . . . . . . . 6503 1 755 . 1 1 62 62 ARG NE N 15 84.490 0.100 . 1 . . . . . . . . 6503 1 756 . 1 1 62 62 ARG HE H 1 7.230 0.020 . 1 . . . . . . . . 6503 1 757 . 1 1 62 62 ARG HG3 H 1 1.504 0.020 . 1 . . . . . . . . 6503 1 758 . 1 1 63 63 LYS N N 15 119.908 0.100 . 1 . . . . . . . . 6503 1 759 . 1 1 63 63 LYS H H 1 8.431 0.020 . 1 . . . . . . . . 6503 1 760 . 1 1 63 63 LYS CA C 13 54.453 0.400 . 1 . . . . . . . . 6503 1 761 . 1 1 63 63 LYS HA H 1 5.005 0.020 . 1 . . . . . . . . 6503 1 762 . 1 1 63 63 LYS C C 13 178.050 0.400 . 1 . . . . . . . . 6503 1 763 . 1 1 63 63 LYS CB C 13 35.114 0.400 . 1 . . . . . . . . 6503 1 764 . 1 1 63 63 LYS HB2 H 1 1.584 0.020 . 2 . . . . . . . . 6503 1 765 . 1 1 63 63 LYS HB3 H 1 1.764 0.020 . 2 . . . . . . . . 6503 1 766 . 1 1 63 63 LYS CG C 13 24.345 0.400 . 1 . . . . . . . . 6503 1 767 . 1 1 63 63 LYS HG2 H 1 0.965 0.020 . 2 . . . . . . . . 6503 1 768 . 1 1 63 63 LYS HG3 H 1 1.225 0.020 . 2 . . . . . . . . 6503 1 769 . 1 1 63 63 LYS CD C 13 28.912 0.400 . 1 . . . . . . . . 6503 1 770 . 1 1 63 63 LYS HD2 H 1 1.325 0.020 . 2 . . . . . . . . 6503 1 771 . 1 1 63 63 LYS HD3 H 1 1.532 0.020 . 2 . . . . . . . . 6503 1 772 . 1 1 63 63 LYS CE C 13 42.321 0.400 . 1 . . . . . . . . 6503 1 773 . 1 1 63 63 LYS HE2 H 1 2.829 0.020 . 1 . . . . . . . . 6503 1 774 . 1 1 63 63 LYS HE3 H 1 2.907 0.020 . 1 . . . . . . . . 6503 1 775 . 1 1 64 64 LEU N N 15 128.174 0.100 . 1 . . . . . . . . 6503 1 776 . 1 1 64 64 LEU H H 1 8.647 0.020 . 1 . . . . . . . . 6503 1 777 . 1 1 64 64 LEU CA C 13 54.217 0.400 . 1 . . . . . . . . 6503 1 778 . 1 1 64 64 LEU HA H 1 4.557 0.020 . 1 . . . . . . . . 6503 1 779 . 1 1 64 64 LEU C C 13 179.442 0.400 . 1 . . . . . . . . 6503 1 780 . 1 1 64 64 LEU CB C 13 43.456 0.400 . 1 . . . . . . . . 6503 1 781 . 1 1 64 64 LEU HB2 H 1 1.489 0.020 . 2 . . . . . . . . 6503 1 782 . 1 1 64 64 LEU HB3 H 1 1.574 0.020 . 2 . . . . . . . . 6503 1 783 . 1 1 64 64 LEU CG C 13 27.227 0.400 . 1 . . . . . . . . 6503 1 784 . 1 1 64 64 LEU HG H 1 1.587 0.020 . 1 . . . . . . . . 6503 1 785 . 1 1 64 64 LEU CD1 C 13 25.309 0.400 . 2 . . . . . . . . 6503 1 786 . 1 1 64 64 LEU HD11 H 1 0.737 0.020 . 2 . . . . . . . . 6503 1 787 . 1 1 64 64 LEU HD12 H 1 0.737 0.020 . 2 . . . . . . . . 6503 1 788 . 1 1 64 64 LEU HD13 H 1 0.737 0.020 . 2 . . . . . . . . 6503 1 789 . 1 1 64 64 LEU CD2 C 13 23.855 0.400 . 2 . . . . . . . . 6503 1 790 . 1 1 64 64 LEU HD21 H 1 0.781 0.020 . 2 . . . . . . . . 6503 1 791 . 1 1 64 64 LEU HD22 H 1 0.781 0.020 . 2 . . . . . . . . 6503 1 792 . 1 1 64 64 LEU HD23 H 1 0.781 0.020 . 2 . . . . . . . . 6503 1 793 . 1 1 65 65 ASP N N 15 125.214 0.100 . 1 . . . . . . . . 6503 1 794 . 1 1 65 65 ASP H H 1 9.041 0.020 . 1 . . . . . . . . 6503 1 795 . 1 1 65 65 ASP CA C 13 57.360 0.400 . 1 . . . . . . . . 6503 1 796 . 1 1 65 65 ASP HA H 1 4.309 0.020 . 1 . . . . . . . . 6503 1 797 . 1 1 65 65 ASP C C 13 177.823 0.400 . 1 . . . . . . . . 6503 1 798 . 1 1 65 65 ASP CB C 13 39.923 0.400 . 1 . . . . . . . . 6503 1 799 . 1 1 65 65 ASP HB2 H 1 2.660 0.020 . 2 . . . . . . . . 6503 1 800 . 1 1 65 65 ASP HB3 H 1 2.699 0.020 . 2 . . . . . . . . 6503 1 801 . 1 1 66 66 SER N N 15 110.709 0.100 . 1 . . . . . . . . 6503 1 802 . 1 1 66 66 SER H H 1 7.806 0.020 . 1 . . . . . . . . 6503 1 803 . 1 1 66 66 SER CA C 13 58.172 0.400 . 1 . . . . . . . . 6503 1 804 . 1 1 66 66 SER HA H 1 4.370 0.020 . 1 . . . . . . . . 6503 1 805 . 1 1 66 66 SER C C 13 175.309 0.400 . 1 . . . . . . . . 6503 1 806 . 1 1 66 66 SER CB C 13 63.259 0.400 . 1 . . . . . . . . 6503 1 807 . 1 1 66 66 SER HB2 H 1 4.087 0.020 . 2 . . . . . . . . 6503 1 808 . 1 1 66 66 SER HB3 H 1 3.821 0.020 . 2 . . . . . . . . 6503 1 809 . 1 1 67 67 GLY N N 15 110.517 0.100 . 1 . . . . . . . . 6503 1 810 . 1 1 67 67 GLY H H 1 7.629 0.020 . 1 . . . . . . . . 6503 1 811 . 1 1 67 67 GLY CA C 13 45.226 0.400 . 1 . . . . . . . . 6503 1 812 . 1 1 67 67 GLY HA2 H 1 3.658 0.020 . 1 . . . . . . . . 6503 1 813 . 1 1 67 67 GLY HA3 H 1 4.308 0.020 . 1 . . . . . . . . 6503 1 814 . 1 1 67 67 GLY C C 13 173.795 0.400 . 1 . . . . . . . . 6503 1 815 . 1 1 68 68 GLY N N 15 109.353 0.100 . 1 . . . . . . . . 6503 1 816 . 1 1 68 68 GLY H H 1 7.796 0.020 . 1 . . . . . . . . 6503 1 817 . 1 1 68 68 GLY CA C 13 44.542 0.400 . 1 . . . . . . . . 6503 1 818 . 1 1 68 68 GLY HA2 H 1 4.023 0.020 . 1 . . . . . . . . 6503 1 819 . 1 1 68 68 GLY HA3 H 1 4.140 0.020 . 1 . . . . . . . . 6503 1 820 . 1 1 68 68 GLY C C 13 173.104 0.400 . 1 . . . . . . . . 6503 1 821 . 1 1 69 69 PHE N N 15 117.061 0.100 . 1 . . . . . . . . 6503 1 822 . 1 1 69 69 PHE H H 1 9.216 0.020 . 1 . . . . . . . . 6503 1 823 . 1 1 69 69 PHE CA C 13 57.123 0.400 . 1 . . . . . . . . 6503 1 824 . 1 1 69 69 PHE HA H 1 5.868 0.020 . 1 . . . . . . . . 6503 1 825 . 1 1 69 69 PHE C C 13 177.068 0.400 . 1 . . . . . . . . 6503 1 826 . 1 1 69 69 PHE CB C 13 44.101 0.400 . 1 . . . . . . . . 6503 1 827 . 1 1 69 69 PHE HB2 H 1 2.589 0.020 . 2 . . . . . . . . 6503 1 828 . 1 1 69 69 PHE HB3 H 1 2.984 0.020 . 2 . . . . . . . . 6503 1 829 . 1 1 69 69 PHE CZ C 13 131.929 0.400 . 1 . . . . . . . . 6503 1 830 . 1 1 69 69 PHE HZ H 1 7.207 0.020 . 1 . . . . . . . . 6503 1 831 . 1 1 69 69 PHE CD2 C 13 131.473 0.400 . 3 . . . . . . . . 6503 1 832 . 1 1 69 69 PHE HD2 H 1 7.062 0.020 . 3 . . . . . . . . 6503 1 833 . 1 1 69 69 PHE CE2 C 13 131.544 0.400 . 3 . . . . . . . . 6503 1 834 . 1 1 69 69 PHE HE2 H 1 7.536 0.020 . 3 . . . . . . . . 6503 1 835 . 1 1 70 70 TYR N N 15 115.449 0.100 . 1 . . . . . . . . 6503 1 836 . 1 1 70 70 TYR H H 1 9.079 0.020 . 1 . . . . . . . . 6503 1 837 . 1 1 70 70 TYR CA C 13 58.080 0.400 . 1 . . . . . . . . 6503 1 838 . 1 1 70 70 TYR HA H 1 5.207 0.020 . 1 . . . . . . . . 6503 1 839 . 1 1 70 70 TYR C C 13 173.029 0.400 . 1 . . . . . . . . 6503 1 840 . 1 1 70 70 TYR CB C 13 40.903 0.400 . 1 . . . . . . . . 6503 1 841 . 1 1 70 70 TYR HB2 H 1 3.385 0.020 . 2 . . . . . . . . 6503 1 842 . 1 1 70 70 TYR HB3 H 1 3.031 0.020 . 2 . . . . . . . . 6503 1 843 . 1 1 70 70 TYR CD2 C 13 133.563 0.400 . 3 . . . . . . . . 6503 1 844 . 1 1 70 70 TYR HD2 H 1 6.646 0.020 . 3 . . . . . . . . 6503 1 845 . 1 1 70 70 TYR CE2 C 13 117.753 0.400 . 3 . . . . . . . . 6503 1 846 . 1 1 70 70 TYR HE2 H 1 6.543 0.020 . 3 . . . . . . . . 6503 1 847 . 1 1 71 71 ILE N N 15 119.924 0.100 . 1 . . . . . . . . 6503 1 848 . 1 1 71 71 ILE H H 1 9.869 0.020 . 1 . . . . . . . . 6503 1 849 . 1 1 71 71 ILE CA C 13 63.492 0.400 . 1 . . . . . . . . 6503 1 850 . 1 1 71 71 ILE HA H 1 4.583 0.020 . 1 . . . . . . . . 6503 1 851 . 1 1 71 71 ILE C C 13 177.738 0.400 . 1 . . . . . . . . 6503 1 852 . 1 1 71 71 ILE CB C 13 40.531 0.400 . 1 . . . . . . . . 6503 1 853 . 1 1 71 71 ILE HB H 1 1.722 0.020 . 1 . . . . . . . . 6503 1 854 . 1 1 71 71 ILE CG1 C 13 29.209 0.400 . 1 . . . . . . . . 6503 1 855 . 1 1 71 71 ILE HG12 H 1 1.022 0.020 . 2 . . . . . . . . 6503 1 856 . 1 1 71 71 ILE HG13 H 1 1.677 0.020 . 2 . . . . . . . . 6503 1 857 . 1 1 71 71 ILE CG2 C 13 17.146 0.400 . 1 . . . . . . . . 6503 1 858 . 1 1 71 71 ILE HG21 H 1 0.936 0.020 . 1 . . . . . . . . 6503 1 859 . 1 1 71 71 ILE HG22 H 1 0.936 0.020 . 1 . . . . . . . . 6503 1 860 . 1 1 71 71 ILE HG23 H 1 0.936 0.020 . 1 . . . . . . . . 6503 1 861 . 1 1 71 71 ILE CD1 C 13 14.462 0.400 . 1 . . . . . . . . 6503 1 862 . 1 1 71 71 ILE HD11 H 1 0.480 0.020 . 1 . . . . . . . . 6503 1 863 . 1 1 71 71 ILE HD12 H 1 0.480 0.020 . 1 . . . . . . . . 6503 1 864 . 1 1 71 71 ILE HD13 H 1 0.480 0.020 . 1 . . . . . . . . 6503 1 865 . 1 1 72 72 THR N N 15 115.202 0.100 . 1 . . . . . . . . 6503 1 866 . 1 1 72 72 THR H H 1 9.110 0.020 . 1 . . . . . . . . 6503 1 867 . 1 1 72 72 THR CA C 13 59.446 0.400 . 1 . . . . . . . . 6503 1 868 . 1 1 72 72 THR HA H 1 5.001 0.020 . 1 . . . . . . . . 6503 1 869 . 1 1 72 72 THR C C 13 175.221 0.400 . 1 . . . . . . . . 6503 1 870 . 1 1 72 72 THR CB C 13 70.827 0.400 . 1 . . . . . . . . 6503 1 871 . 1 1 72 72 THR HB H 1 4.460 0.020 . 1 . . . . . . . . 6503 1 872 . 1 1 72 72 THR CG2 C 13 21.168 0.400 . 1 . . . . . . . . 6503 1 873 . 1 1 72 72 THR HG21 H 1 1.404 0.020 . 1 . . . . . . . . 6503 1 874 . 1 1 72 72 THR HG22 H 1 1.404 0.020 . 1 . . . . . . . . 6503 1 875 . 1 1 72 72 THR HG23 H 1 1.404 0.020 . 1 . . . . . . . . 6503 1 876 . 1 1 73 73 SER N N 15 118.841 0.100 . 1 . . . . . . . . 6503 1 877 . 1 1 73 73 SER H H 1 8.818 0.020 . 1 . . . . . . . . 6503 1 878 . 1 1 73 73 SER CA C 13 60.900 0.400 . 1 . . . . . . . . 6503 1 879 . 1 1 73 73 SER HA H 1 3.457 0.020 . 1 . . . . . . . . 6503 1 880 . 1 1 73 73 SER C C 13 175.387 0.400 . 1 . . . . . . . . 6503 1 881 . 1 1 73 73 SER CB C 13 62.882 0.400 . 1 . . . . . . . . 6503 1 882 . 1 1 73 73 SER HB2 H 1 3.734 0.020 . 2 . . . . . . . . 6503 1 883 . 1 1 73 73 SER HB3 H 1 3.631 0.020 . 2 . . . . . . . . 6503 1 884 . 1 1 74 74 ARG N N 15 118.075 0.100 . 1 . . . . . . . . 6503 1 885 . 1 1 74 74 ARG H H 1 7.706 0.020 . 1 . . . . . . . . 6503 1 886 . 1 1 74 74 ARG CA C 13 57.539 0.400 . 1 . . . . . . . . 6503 1 887 . 1 1 74 74 ARG HA H 1 4.125 0.020 . 1 . . . . . . . . 6503 1 888 . 1 1 74 74 ARG C C 13 176.779 0.400 . 1 . . . . . . . . 6503 1 889 . 1 1 74 74 ARG CB C 13 30.773 0.400 . 1 . . . . . . . . 6503 1 890 . 1 1 74 74 ARG HB2 H 1 1.777 0.020 . 2 . . . . . . . . 6503 1 891 . 1 1 74 74 ARG HB3 H 1 1.822 0.020 . 2 . . . . . . . . 6503 1 892 . 1 1 74 74 ARG CG C 13 27.401 0.400 . 1 . . . . . . . . 6503 1 893 . 1 1 74 74 ARG HG2 H 1 1.584 0.020 . 2 . . . . . . . . 6503 1 894 . 1 1 74 74 ARG HG3 H 1 1.661 0.020 . 2 . . . . . . . . 6503 1 895 . 1 1 74 74 ARG CD C 13 43.350 0.400 . 1 . . . . . . . . 6503 1 896 . 1 1 74 74 ARG NE N 15 84.490 0.100 . 1 . . . . . . . . 6503 1 897 . 1 1 74 74 ARG HE H 1 7.225 0.020 . 1 . . . . . . . . 6503 1 898 . 1 1 74 74 ARG HD3 H 1 3.178 0.020 . 1 . . . . . . . . 6503 1 899 . 1 1 75 75 THR N N 15 115.975 0.100 . 1 . . . . . . . . 6503 1 900 . 1 1 75 75 THR H H 1 7.471 0.020 . 1 . . . . . . . . 6503 1 901 . 1 1 75 75 THR CA C 13 61.459 0.400 . 1 . . . . . . . . 6503 1 902 . 1 1 75 75 THR HA H 1 4.183 0.020 . 1 . . . . . . . . 6503 1 903 . 1 1 75 75 THR C C 13 171.944 0.400 . 1 . . . . . . . . 6503 1 904 . 1 1 75 75 THR CB C 13 70.185 0.400 . 1 . . . . . . . . 6503 1 905 . 1 1 75 75 THR HB H 1 3.612 0.020 . 1 . . . . . . . . 6503 1 906 . 1 1 75 75 THR CG2 C 13 22.630 0.400 . 1 . . . . . . . . 6503 1 907 . 1 1 75 75 THR HG21 H 1 0.568 0.020 . 1 . . . . . . . . 6503 1 908 . 1 1 75 75 THR HG22 H 1 0.568 0.020 . 1 . . . . . . . . 6503 1 909 . 1 1 75 75 THR HG23 H 1 0.568 0.020 . 1 . . . . . . . . 6503 1 910 . 1 1 76 76 GLN N N 15 122.022 0.100 . 1 . . . . . . . . 6503 1 911 . 1 1 76 76 GLN H H 1 7.910 0.020 . 1 . . . . . . . . 6503 1 912 . 1 1 76 76 GLN CA C 13 53.636 0.400 . 1 . . . . . . . . 6503 1 913 . 1 1 76 76 GLN HA H 1 4.997 0.020 . 1 . . . . . . . . 6503 1 914 . 1 1 76 76 GLN C C 13 175.191 0.400 . 1 . . . . . . . . 6503 1 915 . 1 1 76 76 GLN CB C 13 31.385 0.400 . 1 . . . . . . . . 6503 1 916 . 1 1 76 76 GLN HB2 H 1 1.708 0.020 . 2 . . . . . . . . 6503 1 917 . 1 1 76 76 GLN HB3 H 1 1.811 0.020 . 2 . . . . . . . . 6503 1 918 . 1 1 76 76 GLN CG C 13 33.100 0.400 . 1 . . . . . . . . 6503 1 919 . 1 1 76 76 GLN HG2 H 1 1.956 0.020 . 2 . . . . . . . . 6503 1 920 . 1 1 76 76 GLN HG3 H 1 2.008 0.020 . 2 . . . . . . . . 6503 1 921 . 1 1 76 76 GLN CD C 13 179.944 0.400 . 1 . . . . . . . . 6503 1 922 . 1 1 76 76 GLN NE2 N 15 110.612 0.100 . 1 . . . . . . . . 6503 1 923 . 1 1 76 76 GLN HE21 H 1 7.258 0.020 . 1 . . . . . . . . 6503 1 924 . 1 1 76 76 GLN HE22 H 1 6.451 0.020 . 1 . . . . . . . . 6503 1 925 . 1 1 77 77 PHE N N 15 116.754 0.100 . 1 . . . . . . . . 6503 1 926 . 1 1 77 77 PHE H H 1 9.095 0.020 . 1 . . . . . . . . 6503 1 927 . 1 1 77 77 PHE CA C 13 56.638 0.400 . 1 . . . . . . . . 6503 1 928 . 1 1 77 77 PHE HA H 1 5.068 0.020 . 1 . . . . . . . . 6503 1 929 . 1 1 77 77 PHE C C 13 176.979 0.400 . 1 . . . . . . . . 6503 1 930 . 1 1 77 77 PHE CB C 13 44.624 0.400 . 1 . . . . . . . . 6503 1 931 . 1 1 77 77 PHE HB2 H 1 2.713 0.020 . 2 . . . . . . . . 6503 1 932 . 1 1 77 77 PHE HB3 H 1 3.501 0.020 . 2 . . . . . . . . 6503 1 933 . 1 1 77 77 PHE CD2 C 13 132.107 0.400 . 3 . . . . . . . . 6503 1 934 . 1 1 77 77 PHE HD2 H 1 7.218 0.020 . 3 . . . . . . . . 6503 1 935 . 1 1 77 77 PHE CE2 C 13 131.476 0.400 . 3 . . . . . . . . 6503 1 936 . 1 1 77 77 PHE HE2 H 1 7.053 0.020 . 3 . . . . . . . . 6503 1 937 . 1 1 78 78 SER N N 15 116.132 0.100 . 1 . . . . . . . . 6503 1 938 . 1 1 78 78 SER H H 1 9.254 0.020 . 1 . . . . . . . . 6503 1 939 . 1 1 78 78 SER CA C 13 60.118 0.400 . 1 . . . . . . . . 6503 1 940 . 1 1 78 78 SER HA H 1 4.597 0.020 . 1 . . . . . . . . 6503 1 941 . 1 1 78 78 SER C C 13 174.659 0.400 . 1 . . . . . . . . 6503 1 942 . 1 1 78 78 SER CB C 13 63.778 0.400 . 1 . . . . . . . . 6503 1 943 . 1 1 78 78 SER HB2 H 1 4.068 0.020 . 2 . . . . . . . . 6503 1 944 . 1 1 78 78 SER HB3 H 1 4.141 0.020 . 2 . . . . . . . . 6503 1 945 . 1 1 79 79 SER N N 15 111.404 0.100 . 1 . . . . . . . . 6503 1 946 . 1 1 79 79 SER H H 1 7.658 0.020 . 1 . . . . . . . . 6503 1 947 . 1 1 79 79 SER CA C 13 56.461 0.400 . 1 . . . . . . . . 6503 1 948 . 1 1 79 79 SER HA H 1 4.968 0.020 . 1 . . . . . . . . 6503 1 949 . 1 1 79 79 SER C C 13 174.551 0.400 . 1 . . . . . . . . 6503 1 950 . 1 1 79 79 SER CB C 13 66.937 0.400 . 1 . . . . . . . . 6503 1 951 . 1 1 79 79 SER HB2 H 1 4.088 0.020 . 2 . . . . . . . . 6503 1 952 . 1 1 79 79 SER HB3 H 1 4.369 0.020 . 2 . . . . . . . . 6503 1 953 . 1 1 80 80 LEU N N 15 121.822 0.100 . 1 . . . . . . . . 6503 1 954 . 1 1 80 80 LEU H H 1 8.913 0.020 . 1 . . . . . . . . 6503 1 955 . 1 1 80 80 LEU CA C 13 57.159 0.400 . 1 . . . . . . . . 6503 1 956 . 1 1 80 80 LEU HA H 1 3.672 0.020 . 1 . . . . . . . . 6503 1 957 . 1 1 80 80 LEU C C 13 178.724 0.400 . 1 . . . . . . . . 6503 1 958 . 1 1 80 80 LEU CB C 13 42.031 0.400 . 1 . . . . . . . . 6503 1 959 . 1 1 80 80 LEU HB2 H 1 1.599 0.020 . 2 . . . . . . . . 6503 1 960 . 1 1 80 80 LEU HB3 H 1 1.127 0.020 . 2 . . . . . . . . 6503 1 961 . 1 1 80 80 LEU CG C 13 26.258 0.400 . 1 . . . . . . . . 6503 1 962 . 1 1 80 80 LEU HG H 1 0.821 0.020 . 1 . . . . . . . . 6503 1 963 . 1 1 80 80 LEU CD1 C 13 24.048 0.400 . 2 . . . . . . . . 6503 1 964 . 1 1 80 80 LEU HD11 H 1 0.084 0.020 . 2 . . . . . . . . 6503 1 965 . 1 1 80 80 LEU HD12 H 1 0.084 0.020 . 2 . . . . . . . . 6503 1 966 . 1 1 80 80 LEU HD13 H 1 0.084 0.020 . 2 . . . . . . . . 6503 1 967 . 1 1 80 80 LEU CD2 C 13 22.952 0.400 . 2 . . . . . . . . 6503 1 968 . 1 1 80 80 LEU HD21 H 1 0.112 0.020 . 2 . . . . . . . . 6503 1 969 . 1 1 80 80 LEU HD22 H 1 0.112 0.020 . 2 . . . . . . . . 6503 1 970 . 1 1 80 80 LEU HD23 H 1 0.112 0.020 . 2 . . . . . . . . 6503 1 971 . 1 1 81 81 GLN N N 15 118.345 0.100 . 1 . . . . . . . . 6503 1 972 . 1 1 81 81 GLN H H 1 8.860 0.020 . 1 . . . . . . . . 6503 1 973 . 1 1 81 81 GLN CA C 13 60.114 0.400 . 1 . . . . . . . . 6503 1 974 . 1 1 81 81 GLN HA H 1 3.996 0.020 . 1 . . . . . . . . 6503 1 975 . 1 1 81 81 GLN C C 13 179.215 0.400 . 1 . . . . . . . . 6503 1 976 . 1 1 81 81 GLN CB C 13 27.622 0.400 . 1 . . . . . . . . 6503 1 977 . 1 1 81 81 GLN HB2 H 1 2.369 0.020 . 2 . . . . . . . . 6503 1 978 . 1 1 81 81 GLN HB3 H 1 2.172 0.020 . 2 . . . . . . . . 6503 1 979 . 1 1 81 81 GLN CG C 13 34.197 0.400 . 1 . . . . . . . . 6503 1 980 . 1 1 81 81 GLN HG2 H 1 2.618 0.020 . 2 . . . . . . . . 6503 1 981 . 1 1 81 81 GLN HG3 H 1 2.702 0.020 . 2 . . . . . . . . 6503 1 982 . 1 1 81 81 GLN CD C 13 180.714 0.400 . 1 . . . . . . . . 6503 1 983 . 1 1 81 81 GLN NE2 N 15 112.539 0.100 . 1 . . . . . . . . 6503 1 984 . 1 1 81 81 GLN HE21 H 1 7.861 0.020 . 1 . . . . . . . . 6503 1 985 . 1 1 81 81 GLN HE22 H 1 6.977 0.020 . 1 . . . . . . . . 6503 1 986 . 1 1 82 82 GLN N N 15 119.409 0.100 . 1 . . . . . . . . 6503 1 987 . 1 1 82 82 GLN H H 1 7.866 0.020 . 1 . . . . . . . . 6503 1 988 . 1 1 82 82 GLN CA C 13 58.670 0.400 . 1 . . . . . . . . 6503 1 989 . 1 1 82 82 GLN HA H 1 4.000 0.020 . 1 . . . . . . . . 6503 1 990 . 1 1 82 82 GLN C C 13 178.220 0.400 . 1 . . . . . . . . 6503 1 991 . 1 1 82 82 GLN CB C 13 29.541 0.400 . 1 . . . . . . . . 6503 1 992 . 1 1 82 82 GLN HB2 H 1 2.273 0.020 . 2 . . . . . . . . 6503 1 993 . 1 1 82 82 GLN HB3 H 1 2.388 0.020 . 2 . . . . . . . . 6503 1 994 . 1 1 82 82 GLN CG C 13 34.657 0.400 . 1 . . . . . . . . 6503 1 995 . 1 1 82 82 GLN HG2 H 1 2.531 0.020 . 2 . . . . . . . . 6503 1 996 . 1 1 82 82 GLN HG3 H 1 2.631 0.020 . 2 . . . . . . . . 6503 1 997 . 1 1 82 82 GLN CD C 13 180.347 0.400 . 1 . . . . . . . . 6503 1 998 . 1 1 82 82 GLN NE2 N 15 112.523 0.100 . 1 . . . . . . . . 6503 1 999 . 1 1 82 82 GLN HE21 H 1 7.686 0.020 . 1 . . . . . . . . 6503 1 1000 . 1 1 82 82 GLN HE22 H 1 7.055 0.020 . 1 . . . . . . . . 6503 1 1001 . 1 1 83 83 LEU N N 15 123.776 0.100 . 1 . . . . . . . . 6503 1 1002 . 1 1 83 83 LEU H H 1 7.046 0.020 . 1 . . . . . . . . 6503 1 1003 . 1 1 83 83 LEU CA C 13 58.917 0.400 . 1 . . . . . . . . 6503 1 1004 . 1 1 83 83 LEU HA H 1 2.059 0.020 . 1 . . . . . . . . 6503 1 1005 . 1 1 83 83 LEU C C 13 177.979 0.400 . 1 . . . . . . . . 6503 1 1006 . 1 1 83 83 LEU CB C 13 41.951 0.400 . 1 . . . . . . . . 6503 1 1007 . 1 1 83 83 LEU HB2 H 1 1.153 0.020 . 2 . . . . . . . . 6503 1 1008 . 1 1 83 83 LEU HB3 H 1 1.730 0.020 . 2 . . . . . . . . 6503 1 1009 . 1 1 83 83 LEU CG C 13 27.236 0.400 . 1 . . . . . . . . 6503 1 1010 . 1 1 83 83 LEU HG H 1 1.484 0.020 . 1 . . . . . . . . 6503 1 1011 . 1 1 83 83 LEU CD1 C 13 24.351 0.400 . 2 . . . . . . . . 6503 1 1012 . 1 1 83 83 LEU HD11 H 1 0.580 0.020 . 2 . . . . . . . . 6503 1 1013 . 1 1 83 83 LEU HD12 H 1 0.580 0.020 . 2 . . . . . . . . 6503 1 1014 . 1 1 83 83 LEU HD13 H 1 0.580 0.020 . 2 . . . . . . . . 6503 1 1015 . 1 1 83 83 LEU CD2 C 13 28.253 0.400 . 2 . . . . . . . . 6503 1 1016 . 1 1 83 83 LEU HD21 H 1 0.936 0.020 . 2 . . . . . . . . 6503 1 1017 . 1 1 83 83 LEU HD22 H 1 0.936 0.020 . 2 . . . . . . . . 6503 1 1018 . 1 1 83 83 LEU HD23 H 1 0.936 0.020 . 2 . . . . . . . . 6503 1 1019 . 1 1 84 84 VAL N N 15 119.868 0.100 . 1 . . . . . . . . 6503 1 1020 . 1 1 84 84 VAL H H 1 7.966 0.020 . 1 . . . . . . . . 6503 1 1021 . 1 1 84 84 VAL CA C 13 66.488 0.400 . 1 . . . . . . . . 6503 1 1022 . 1 1 84 84 VAL HA H 1 2.833 0.020 . 1 . . . . . . . . 6503 1 1023 . 1 1 84 84 VAL C C 13 179.068 0.400 . 1 . . . . . . . . 6503 1 1024 . 1 1 84 84 VAL CB C 13 31.664 0.400 . 1 . . . . . . . . 6503 1 1025 . 1 1 84 84 VAL HB H 1 1.299 0.020 . 1 . . . . . . . . 6503 1 1026 . 1 1 84 84 VAL CG1 C 13 21.412 0.400 . 2 . . . . . . . . 6503 1 1027 . 1 1 84 84 VAL HG11 H 1 -0.391 0.020 . 2 . . . . . . . . 6503 1 1028 . 1 1 84 84 VAL HG12 H 1 -0.391 0.020 . 2 . . . . . . . . 6503 1 1029 . 1 1 84 84 VAL HG13 H 1 -0.391 0.020 . 2 . . . . . . . . 6503 1 1030 . 1 1 84 84 VAL CG2 C 13 20.819 0.400 . 2 . . . . . . . . 6503 1 1031 . 1 1 84 84 VAL HG21 H 1 0.046 0.020 . 2 . . . . . . . . 6503 1 1032 . 1 1 84 84 VAL HG22 H 1 0.046 0.020 . 2 . . . . . . . . 6503 1 1033 . 1 1 84 84 VAL HG23 H 1 0.046 0.020 . 2 . . . . . . . . 6503 1 1034 . 1 1 85 85 ALA N N 15 122.140 0.100 . 1 . . . . . . . . 6503 1 1035 . 1 1 85 85 ALA H H 1 7.911 0.020 . 1 . . . . . . . . 6503 1 1036 . 1 1 85 85 ALA CA C 13 54.984 0.400 . 1 . . . . . . . . 6503 1 1037 . 1 1 85 85 ALA HA H 1 3.928 0.020 . 1 . . . . . . . . 6503 1 1038 . 1 1 85 85 ALA C C 13 180.964 0.400 . 1 . . . . . . . . 6503 1 1039 . 1 1 85 85 ALA CB C 13 18.046 0.400 . 1 . . . . . . . . 6503 1 1040 . 1 1 85 85 ALA HB1 H 1 1.441 0.020 . 1 . . . . . . . . 6503 1 1041 . 1 1 85 85 ALA HB2 H 1 1.441 0.020 . 1 . . . . . . . . 6503 1 1042 . 1 1 85 85 ALA HB3 H 1 1.441 0.020 . 1 . . . . . . . . 6503 1 1043 . 1 1 86 86 TYR N N 15 119.829 0.100 . 1 . . . . . . . . 6503 1 1044 . 1 1 86 86 TYR H H 1 7.756 0.020 . 1 . . . . . . . . 6503 1 1045 . 1 1 86 86 TYR CA C 13 62.526 0.400 . 1 . . . . . . . . 6503 1 1046 . 1 1 86 86 TYR HA H 1 4.078 0.020 . 1 . . . . . . . . 6503 1 1047 . 1 1 86 86 TYR C C 13 179.402 0.400 . 1 . . . . . . . . 6503 1 1048 . 1 1 86 86 TYR CB C 13 39.641 0.400 . 1 . . . . . . . . 6503 1 1049 . 1 1 86 86 TYR HB2 H 1 3.012 0.020 . 2 . . . . . . . . 6503 1 1050 . 1 1 86 86 TYR HB3 H 1 2.639 0.020 . 2 . . . . . . . . 6503 1 1051 . 1 1 86 86 TYR CE2 C 13 118.060 0.400 . 3 . . . . . . . . 6503 1 1052 . 1 1 86 86 TYR HE2 H 1 6.585 0.020 . 3 . . . . . . . . 6503 1 1053 . 1 1 87 87 TYR N N 15 118.102 0.100 . 1 . . . . . . . . 6503 1 1054 . 1 1 87 87 TYR H H 1 7.904 0.020 . 1 . . . . . . . . 6503 1 1055 . 1 1 87 87 TYR CA C 13 60.625 0.400 . 1 . . . . . . . . 6503 1 1056 . 1 1 87 87 TYR HA H 1 5.091 0.020 . 1 . . . . . . . . 6503 1 1057 . 1 1 87 87 TYR C C 13 177.112 0.400 . 1 . . . . . . . . 6503 1 1058 . 1 1 87 87 TYR CB C 13 37.263 0.400 . 1 . . . . . . . . 6503 1 1059 . 1 1 87 87 TYR HB2 H 1 2.285 0.020 . 2 . . . . . . . . 6503 1 1060 . 1 1 87 87 TYR HB3 H 1 3.178 0.020 . 2 . . . . . . . . 6503 1 1061 . 1 1 87 87 TYR CD2 C 13 134.368 0.400 . 3 . . . . . . . . 6503 1 1062 . 1 1 87 87 TYR HD2 H 1 7.338 0.020 . 3 . . . . . . . . 6503 1 1063 . 1 1 87 87 TYR CE2 C 13 117.473 0.400 . 3 . . . . . . . . 6503 1 1064 . 1 1 87 87 TYR HE2 H 1 6.931 0.020 . 3 . . . . . . . . 6503 1 1065 . 1 1 88 88 SER N N 15 114.509 0.100 . 1 . . . . . . . . 6503 1 1066 . 1 1 88 88 SER H H 1 7.489 0.020 . 1 . . . . . . . . 6503 1 1067 . 1 1 88 88 SER CA C 13 60.464 0.400 . 1 . . . . . . . . 6503 1 1068 . 1 1 88 88 SER HA H 1 4.996 0.020 . 1 . . . . . . . . 6503 1 1069 . 1 1 88 88 SER C C 13 174.870 0.400 . 1 . . . . . . . . 6503 1 1070 . 1 1 88 88 SER CB C 13 63.141 0.400 . 1 . . . . . . . . 6503 1 1071 . 1 1 88 88 SER HB2 H 1 3.910 0.020 . 2 . . . . . . . . 6503 1 1072 . 1 1 88 88 SER HB3 H 1 3.798 0.020 . 2 . . . . . . . . 6503 1 1073 . 1 1 89 89 LYS N N 15 119.807 0.100 . 1 . . . . . . . . 6503 1 1074 . 1 1 89 89 LYS H H 1 7.214 0.020 . 1 . . . . . . . . 6503 1 1075 . 1 1 89 89 LYS CA C 13 56.418 0.400 . 1 . . . . . . . . 6503 1 1076 . 1 1 89 89 LYS HA H 1 4.130 0.020 . 1 . . . . . . . . 6503 1 1077 . 1 1 89 89 LYS C C 13 176.523 0.400 . 1 . . . . . . . . 6503 1 1078 . 1 1 89 89 LYS CB C 13 34.258 0.400 . 1 . . . . . . . . 6503 1 1079 . 1 1 89 89 LYS HB2 H 1 1.186 0.020 . 2 . . . . . . . . 6503 1 1080 . 1 1 89 89 LYS HB3 H 1 1.348 0.020 . 2 . . . . . . . . 6503 1 1081 . 1 1 89 89 LYS CG C 13 24.799 0.400 . 1 . . . . . . . . 6503 1 1082 . 1 1 89 89 LYS HG2 H 1 1.075 0.020 . 2 . . . . . . . . 6503 1 1083 . 1 1 89 89 LYS HG3 H 1 1.280 0.020 . 2 . . . . . . . . 6503 1 1084 . 1 1 89 89 LYS CD C 13 28.907 0.400 . 1 . . . . . . . . 6503 1 1085 . 1 1 89 89 LYS CE C 13 42.183 0.400 . 1 . . . . . . . . 6503 1 1086 . 1 1 89 89 LYS HD3 H 1 1.514 0.020 . 1 . . . . . . . . 6503 1 1087 . 1 1 89 89 LYS HE3 H 1 2.898 0.020 . 1 . . . . . . . . 6503 1 1088 . 1 1 90 90 HIS N N 15 116.801 0.100 . 1 . . . . . . . . 6503 1 1089 . 1 1 90 90 HIS H H 1 7.608 0.020 . 1 . . . . . . . . 6503 1 1090 . 1 1 90 90 HIS CA C 13 53.371 0.400 . 1 . . . . . . . . 6503 1 1091 . 1 1 90 90 HIS HA H 1 4.528 0.020 . 1 . . . . . . . . 6503 1 1092 . 1 1 90 90 HIS C C 13 172.705 0.400 . 1 . . . . . . . . 6503 1 1093 . 1 1 90 90 HIS CB C 13 30.628 0.400 . 1 . . . . . . . . 6503 1 1094 . 1 1 90 90 HIS HB2 H 1 2.331 0.020 . 2 . . . . . . . . 6503 1 1095 . 1 1 90 90 HIS HB3 H 1 2.935 0.020 . 2 . . . . . . . . 6503 1 1096 . 1 1 90 90 HIS CD2 C 13 121.801 0.400 . 1 . . . . . . . . 6503 1 1097 . 1 1 90 90 HIS HD2 H 1 6.478 0.020 . 2 . . . . . . . . 6503 1 1098 . 1 1 90 90 HIS CE1 C 13 136.693 0.400 . 1 . . . . . . . . 6503 1 1099 . 1 1 90 90 HIS HE1 H 1 7.985 0.020 . 1 . . . . . . . . 6503 1 1100 . 1 1 91 91 ALA N N 15 123.773 0.100 . 1 . . . . . . . . 6503 1 1101 . 1 1 91 91 ALA H H 1 8.556 0.020 . 1 . . . . . . . . 6503 1 1102 . 1 1 91 91 ALA CA C 13 55.142 0.400 . 1 . . . . . . . . 6503 1 1103 . 1 1 91 91 ALA HA H 1 3.929 0.020 . 1 . . . . . . . . 6503 1 1104 . 1 1 91 91 ALA C C 13 177.675 0.400 . 1 . . . . . . . . 6503 1 1105 . 1 1 91 91 ALA CB C 13 18.303 0.400 . 1 . . . . . . . . 6503 1 1106 . 1 1 91 91 ALA HB1 H 1 1.166 0.020 . 1 . . . . . . . . 6503 1 1107 . 1 1 91 91 ALA HB2 H 1 1.166 0.020 . 1 . . . . . . . . 6503 1 1108 . 1 1 91 91 ALA HB3 H 1 1.166 0.020 . 1 . . . . . . . . 6503 1 1109 . 1 1 92 92 ASP N N 15 112.043 0.100 . 1 . . . . . . . . 6503 1 1110 . 1 1 92 92 ASP H H 1 8.196 0.020 . 1 . . . . . . . . 6503 1 1111 . 1 1 92 92 ASP CA C 13 54.780 0.400 . 1 . . . . . . . . 6503 1 1112 . 1 1 92 92 ASP HA H 1 4.240 0.020 . 1 . . . . . . . . 6503 1 1113 . 1 1 92 92 ASP C C 13 175.792 0.400 . 1 . . . . . . . . 6503 1 1114 . 1 1 92 92 ASP CB C 13 41.343 0.400 . 1 . . . . . . . . 6503 1 1115 . 1 1 92 92 ASP HB2 H 1 2.371 0.020 . 2 . . . . . . . . 6503 1 1116 . 1 1 92 92 ASP HB3 H 1 3.124 0.020 . 2 . . . . . . . . 6503 1 1117 . 1 1 93 93 GLY N N 15 108.158 0.100 . 1 . . . . . . . . 6503 1 1118 . 1 1 93 93 GLY H H 1 8.465 0.020 . 1 . . . . . . . . 6503 1 1119 . 1 1 93 93 GLY CA C 13 45.157 0.400 . 1 . . . . . . . . 6503 1 1120 . 1 1 93 93 GLY HA2 H 1 3.688 0.020 . 1 . . . . . . . . 6503 1 1121 . 1 1 93 93 GLY HA3 H 1 4.369 0.020 . 1 . . . . . . . . 6503 1 1122 . 1 1 93 93 GLY C C 13 176.219 0.400 . 1 . . . . . . . . 6503 1 1123 . 1 1 94 94 LEU N N 15 120.273 0.100 . 1 . . . . . . . . 6503 1 1124 . 1 1 94 94 LEU H H 1 8.298 0.020 . 1 . . . . . . . . 6503 1 1125 . 1 1 94 94 LEU CA C 13 54.290 0.400 . 1 . . . . . . . . 6503 1 1126 . 1 1 94 94 LEU HA H 1 4.102 0.020 . 1 . . . . . . . . 6503 1 1127 . 1 1 94 94 LEU C C 13 177.680 0.400 . 1 . . . . . . . . 6503 1 1128 . 1 1 94 94 LEU CB C 13 42.395 0.400 . 1 . . . . . . . . 6503 1 1129 . 1 1 94 94 LEU HB2 H 1 1.674 0.020 . 2 . . . . . . . . 6503 1 1130 . 1 1 94 94 LEU HB3 H 1 1.043 0.020 . 2 . . . . . . . . 6503 1 1131 . 1 1 94 94 LEU CG C 13 26.635 0.400 . 1 . . . . . . . . 6503 1 1132 . 1 1 94 94 LEU HG H 1 1.384 0.020 . 1 . . . . . . . . 6503 1 1133 . 1 1 94 94 LEU CD1 C 13 19.831 0.400 . 2 . . . . . . . . 6503 1 1134 . 1 1 94 94 LEU HD11 H 1 -0.409 0.020 . 2 . . . . . . . . 6503 1 1135 . 1 1 94 94 LEU HD12 H 1 -0.409 0.020 . 2 . . . . . . . . 6503 1 1136 . 1 1 94 94 LEU HD13 H 1 -0.409 0.020 . 2 . . . . . . . . 6503 1 1137 . 1 1 94 94 LEU CD2 C 13 25.512 0.400 . 2 . . . . . . . . 6503 1 1138 . 1 1 94 94 LEU HD21 H 1 -0.010 0.020 . 2 . . . . . . . . 6503 1 1139 . 1 1 94 94 LEU HD22 H 1 -0.010 0.020 . 2 . . . . . . . . 6503 1 1140 . 1 1 94 94 LEU HD23 H 1 -0.010 0.020 . 2 . . . . . . . . 6503 1 1141 . 1 1 95 95 CYS N N 15 115.513 0.100 . 1 . . . . . . . . 6503 1 1142 . 1 1 95 95 CYS H H 1 7.662 0.020 . 1 . . . . . . . . 6503 1 1143 . 1 1 95 95 CYS CA C 13 58.383 0.400 . 1 . . . . . . . . 6503 1 1144 . 1 1 95 95 CYS HA H 1 4.264 0.020 . 1 . . . . . . . . 6503 1 1145 . 1 1 95 95 CYS C C 13 173.968 0.400 . 1 . . . . . . . . 6503 1 1146 . 1 1 95 95 CYS CB C 13 28.260 0.400 . 1 . . . . . . . . 6503 1 1147 . 1 1 95 95 CYS HB2 H 1 3.379 0.020 . 2 . . . . . . . . 6503 1 1148 . 1 1 95 95 CYS HB3 H 1 2.853 0.020 . 2 . . . . . . . . 6503 1 1149 . 1 1 96 96 HIS N N 15 118.708 0.100 . 1 . . . . . . . . 6503 1 1150 . 1 1 96 96 HIS H H 1 7.390 0.020 . 1 . . . . . . . . 6503 1 1151 . 1 1 96 96 HIS CA C 13 56.213 0.400 . 1 . . . . . . . . 6503 1 1152 . 1 1 96 96 HIS HA H 1 4.175 0.020 . 1 . . . . . . . . 6503 1 1153 . 1 1 96 96 HIS C C 13 172.197 0.400 . 1 . . . . . . . . 6503 1 1154 . 1 1 96 96 HIS CB C 13 31.479 0.400 . 1 . . . . . . . . 6503 1 1155 . 1 1 96 96 HIS HB2 H 1 3.389 0.020 . 2 . . . . . . . . 6503 1 1156 . 1 1 96 96 HIS HB3 H 1 2.469 0.020 . 2 . . . . . . . . 6503 1 1157 . 1 1 96 96 HIS CD2 C 13 125.104 0.400 . 1 . . . . . . . . 6503 1 1158 . 1 1 96 96 HIS HD2 H 1 7.157 0.020 . 2 . . . . . . . . 6503 1 1159 . 1 1 96 96 HIS CE1 C 13 137.736 0.400 . 1 . . . . . . . . 6503 1 1160 . 1 1 96 96 HIS HE1 H 1 7.865 0.020 . 1 . . . . . . . . 6503 1 1161 . 1 1 97 97 ARG N N 15 120.404 0.100 . 1 . . . . . . . . 6503 1 1162 . 1 1 97 97 ARG H H 1 7.770 0.020 . 1 . . . . . . . . 6503 1 1163 . 1 1 97 97 ARG CA C 13 56.304 0.400 . 1 . . . . . . . . 6503 1 1164 . 1 1 97 97 ARG HA H 1 4.179 0.020 . 1 . . . . . . . . 6503 1 1165 . 1 1 97 97 ARG C C 13 176.794 0.400 . 1 . . . . . . . . 6503 1 1166 . 1 1 97 97 ARG CB C 13 30.729 0.400 . 1 . . . . . . . . 6503 1 1167 . 1 1 97 97 ARG HB2 H 1 1.375 0.020 . 2 . . . . . . . . 6503 1 1168 . 1 1 97 97 ARG HB3 H 1 1.504 0.020 . 2 . . . . . . . . 6503 1 1169 . 1 1 97 97 ARG CG C 13 27.263 0.400 . 1 . . . . . . . . 6503 1 1170 . 1 1 97 97 ARG HG2 H 1 1.198 0.020 . 2 . . . . . . . . 6503 1 1171 . 1 1 97 97 ARG HG3 H 1 1.243 0.020 . 2 . . . . . . . . 6503 1 1172 . 1 1 97 97 ARG CD C 13 43.474 0.400 . 1 . . . . . . . . 6503 1 1173 . 1 1 97 97 ARG HD2 H 1 2.806 0.020 . 2 . . . . . . . . 6503 1 1174 . 1 1 97 97 ARG HD3 H 1 2.962 0.020 . 2 . . . . . . . . 6503 1 1175 . 1 1 97 97 ARG NE N 15 84.490 0.100 . 1 . . . . . . . . 6503 1 1176 . 1 1 97 97 ARG HE H 1 7.167 0.020 . 1 . . . . . . . . 6503 1 1177 . 1 1 98 98 LEU N N 15 123.230 0.100 . 1 . . . . . . . . 6503 1 1178 . 1 1 98 98 LEU H H 1 8.223 0.020 . 1 . . . . . . . . 6503 1 1179 . 1 1 98 98 LEU CA C 13 54.600 0.400 . 1 . . . . . . . . 6503 1 1180 . 1 1 98 98 LEU HA H 1 4.430 0.020 . 1 . . . . . . . . 6503 1 1181 . 1 1 98 98 LEU C C 13 178.351 0.400 . 1 . . . . . . . . 6503 1 1182 . 1 1 98 98 LEU CB C 13 38.571 0.400 . 1 . . . . . . . . 6503 1 1183 . 1 1 98 98 LEU HB2 H 1 0.448 0.020 . 2 . . . . . . . . 6503 1 1184 . 1 1 98 98 LEU HB3 H 1 1.167 0.020 . 2 . . . . . . . . 6503 1 1185 . 1 1 98 98 LEU CG C 13 25.592 0.400 . 1 . . . . . . . . 6503 1 1186 . 1 1 98 98 LEU HG H 1 1.150 0.020 . 1 . . . . . . . . 6503 1 1187 . 1 1 98 98 LEU CD1 C 13 24.881 0.400 . 2 . . . . . . . . 6503 1 1188 . 1 1 98 98 LEU HD11 H 1 -0.100 0.020 . 2 . . . . . . . . 6503 1 1189 . 1 1 98 98 LEU HD12 H 1 -0.100 0.020 . 2 . . . . . . . . 6503 1 1190 . 1 1 98 98 LEU HD13 H 1 -0.100 0.020 . 2 . . . . . . . . 6503 1 1191 . 1 1 98 98 LEU CD2 C 13 21.697 0.400 . 2 . . . . . . . . 6503 1 1192 . 1 1 98 98 LEU HD21 H 1 0.391 0.020 . 2 . . . . . . . . 6503 1 1193 . 1 1 98 98 LEU HD22 H 1 0.391 0.020 . 2 . . . . . . . . 6503 1 1194 . 1 1 98 98 LEU HD23 H 1 0.391 0.020 . 2 . . . . . . . . 6503 1 1195 . 1 1 99 99 THR N N 15 114.025 0.100 . 1 . . . . . . . . 6503 1 1196 . 1 1 99 99 THR H H 1 8.747 0.020 . 1 . . . . . . . . 6503 1 1197 . 1 1 99 99 THR CA C 13 61.385 0.400 . 1 . . . . . . . . 6503 1 1198 . 1 1 99 99 THR HA H 1 4.439 0.020 . 1 . . . . . . . . 6503 1 1199 . 1 1 99 99 THR C C 13 175.912 0.400 . 1 . . . . . . . . 6503 1 1200 . 1 1 99 99 THR CB C 13 69.779 0.400 . 1 . . . . . . . . 6503 1 1201 . 1 1 99 99 THR HB H 1 4.292 0.020 . 1 . . . . . . . . 6503 1 1202 . 1 1 99 99 THR CG2 C 13 21.702 0.400 . 1 . . . . . . . . 6503 1 1203 . 1 1 99 99 THR HG21 H 1 1.349 0.020 . 1 . . . . . . . . 6503 1 1204 . 1 1 99 99 THR HG22 H 1 1.349 0.020 . 1 . . . . . . . . 6503 1 1205 . 1 1 99 99 THR HG23 H 1 1.349 0.020 . 1 . . . . . . . . 6503 1 1206 . 1 1 100 100 ASN N N 15 121.920 0.100 . 1 . . . . . . . . 6503 1 1207 . 1 1 100 100 ASN H H 1 7.808 0.020 . 1 . . . . . . . . 6503 1 1208 . 1 1 100 100 ASN CA C 13 52.822 0.400 . 1 . . . . . . . . 6503 1 1209 . 1 1 100 100 ASN HA H 1 4.818 0.020 . 1 . . . . . . . . 6503 1 1210 . 1 1 100 100 ASN C C 13 173.774 0.400 . 1 . . . . . . . . 6503 1 1211 . 1 1 100 100 ASN CB C 13 40.084 0.400 . 1 . . . . . . . . 6503 1 1212 . 1 1 100 100 ASN HB2 H 1 2.693 0.020 . 2 . . . . . . . . 6503 1 1213 . 1 1 100 100 ASN HB3 H 1 2.793 0.020 . 2 . . . . . . . . 6503 1 1214 . 1 1 100 100 ASN CG C 13 177.119 0.400 . 1 . . . . . . . . 6503 1 1215 . 1 1 100 100 ASN ND2 N 15 112.965 0.100 . 1 . . . . . . . . 6503 1 1216 . 1 1 100 100 ASN HD21 H 1 7.462 0.020 . 1 . . . . . . . . 6503 1 1217 . 1 1 100 100 ASN HD22 H 1 7.089 0.020 . 1 . . . . . . . . 6503 1 1218 . 1 1 101 101 VAL N N 15 123.352 0.100 . 1 . . . . . . . . 6503 1 1219 . 1 1 101 101 VAL H H 1 8.534 0.020 . 1 . . . . . . . . 6503 1 1220 . 1 1 101 101 VAL CA C 13 62.903 0.400 . 1 . . . . . . . . 6503 1 1221 . 1 1 101 101 VAL HA H 1 3.166 0.020 . 1 . . . . . . . . 6503 1 1222 . 1 1 101 101 VAL CB C 13 31.587 0.400 . 1 . . . . . . . . 6503 1 1223 . 1 1 101 101 VAL HB H 1 1.822 0.020 . 1 . . . . . . . . 6503 1 1224 . 1 1 101 101 VAL CG1 C 13 22.226 0.400 . 2 . . . . . . . . 6503 1 1225 . 1 1 101 101 VAL HG11 H 1 0.854 0.020 . 2 . . . . . . . . 6503 1 1226 . 1 1 101 101 VAL HG12 H 1 0.854 0.020 . 2 . . . . . . . . 6503 1 1227 . 1 1 101 101 VAL HG13 H 1 0.854 0.020 . 2 . . . . . . . . 6503 1 1228 . 1 1 101 101 VAL CG2 C 13 23.151 0.400 . 2 . . . . . . . . 6503 1 1229 . 1 1 101 101 VAL HG21 H 1 1.085 0.020 . 2 . . . . . . . . 6503 1 1230 . 1 1 101 101 VAL HG22 H 1 1.085 0.020 . 2 . . . . . . . . 6503 1 1231 . 1 1 101 101 VAL HG23 H 1 1.085 0.020 . 2 . . . . . . . . 6503 1 1232 . 1 1 102 102 CYS N N 15 129.162 0.100 . 1 . . . . . . . . 6503 1 1233 . 1 1 102 102 CYS H H 1 8.313 0.020 . 1 . . . . . . . . 6503 1 1234 . 1 1 102 102 CYS CA C 13 58.640 0.400 . 1 . . . . . . . . 6503 1 1235 . 1 1 102 102 CYS HA H 1 4.010 0.020 . 1 . . . . . . . . 6503 1 1236 . 1 1 102 102 CYS CB C 13 28.250 0.400 . 1 . . . . . . . . 6503 1 1237 . 1 1 102 102 CYS HB2 H 1 2.668 0.020 . 2 . . . . . . . . 6503 1 1238 . 1 1 102 102 CYS HB3 H 1 1.897 0.020 . 2 . . . . . . . . 6503 1 1239 . 1 1 103 103 PRO CA C 13 63.191 0.400 . 1 . . . . . . . . 6503 1 1240 . 1 1 103 103 PRO HA H 1 4.657 0.020 . 1 . . . . . . . . 6503 1 1241 . 1 1 103 103 PRO CB C 13 32.664 0.400 . 1 . . . . . . . . 6503 1 1242 . 1 1 103 103 PRO HB2 H 1 1.978 0.020 . 2 . . . . . . . . 6503 1 1243 . 1 1 103 103 PRO HB3 H 1 2.376 0.020 . 2 . . . . . . . . 6503 1 1244 . 1 1 103 103 PRO CG C 13 27.488 0.400 . 1 . . . . . . . . 6503 1 1245 . 1 1 103 103 PRO HG2 H 1 2.081 0.020 . 2 . . . . . . . . 6503 1 1246 . 1 1 103 103 PRO HG3 H 1 2.130 0.020 . 2 . . . . . . . . 6503 1 1247 . 1 1 103 103 PRO CD C 13 51.928 0.400 . 1 . . . . . . . . 6503 1 1248 . 1 1 103 103 PRO HD2 H 1 3.903 0.020 . 2 . . . . . . . . 6503 1 1249 . 1 1 103 103 PRO HD3 H 1 3.960 0.020 . 2 . . . . . . . . 6503 1 1250 . 1 1 104 104 THR N N 15 112.558 0.100 . 1 . . . . . . . . 6503 1 1251 . 1 1 104 104 THR H H 1 8.153 0.020 . 1 . . . . . . . . 6503 1 1252 . 1 1 104 104 THR CA C 13 61.588 0.400 . 1 . . . . . . . . 6503 1 1253 . 1 1 104 104 THR HA H 1 4.439 0.020 . 1 . . . . . . . . 6503 1 1254 . 1 1 104 104 THR CB C 13 70.204 0.400 . 1 . . . . . . . . 6503 1 1255 . 1 1 104 104 THR HB H 1 4.250 0.020 . 1 . . . . . . . . 6503 1 1256 . 1 1 104 104 THR CG2 C 13 21.798 0.400 . 1 . . . . . . . . 6503 1 1257 . 1 1 104 104 THR HG21 H 1 1.173 0.020 . 1 . . . . . . . . 6503 1 1258 . 1 1 104 104 THR HG22 H 1 1.173 0.020 . 1 . . . . . . . . 6503 1 1259 . 1 1 104 104 THR HG23 H 1 1.173 0.020 . 1 . . . . . . . . 6503 1 1260 . 1 1 105 105 SER N N 15 116.812 0.100 . 1 . . . . . . . . 6503 1 1261 . 1 1 105 105 SER H H 1 8.134 0.020 . 1 . . . . . . . . 6503 1 1262 . 1 1 105 105 SER CA C 13 58.249 0.400 . 1 . . . . . . . . 6503 1 1263 . 1 1 105 105 SER HA H 1 4.457 0.020 . 1 . . . . . . . . 6503 1 1264 . 1 1 105 105 SER CB C 13 64.155 0.400 . 1 . . . . . . . . 6503 1 1265 . 1 1 105 105 SER HB3 H 1 3.859 0.020 . 1 . . . . . . . . 6503 1 1266 . 1 1 106 106 LYS N N 15 128.745 0.100 . 1 . . . . . . . . 6503 1 1267 . 1 1 106 106 LYS H H 1 8.066 0.020 . 1 . . . . . . . . 6503 1 1268 . 1 1 106 106 LYS CA C 13 57.763 0.400 . 1 . . . . . . . . 6503 1 1269 . 1 1 106 106 LYS HA H 1 4.178 0.020 . 1 . . . . . . . . 6503 1 1270 . 1 1 106 106 LYS CB C 13 33.753 0.400 . 1 . . . . . . . . 6503 1 1271 . 1 1 106 106 LYS HB2 H 1 1.703 0.020 . 2 . . . . . . . . 6503 1 1272 . 1 1 106 106 LYS HB3 H 1 1.825 0.020 . 2 . . . . . . . . 6503 1 1273 . 1 1 106 106 LYS CG C 13 24.911 0.400 . 1 . . . . . . . . 6503 1 1274 . 1 1 106 106 LYS CD C 13 29.295 0.400 . 1 . . . . . . . . 6503 1 1275 . 1 1 106 106 LYS CE C 13 42.328 0.400 . 1 . . . . . . . . 6503 1 1276 . 1 1 106 106 LYS HG3 H 1 1.383 0.020 . 1 . . . . . . . . 6503 1 1277 . 1 1 106 106 LYS HD3 H 1 1.659 0.020 . 1 . . . . . . . . 6503 1 1278 . 1 1 106 106 LYS HE3 H 1 2.962 0.020 . 1 . . . . . . . . 6503 1 stop_ save_