data_7305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7305 _Entry.Title ; R21A Spc-SH3 free ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-28 _Entry.Accession_date 2006-09-28 _Entry.Last_release_date 2007-05-04 _Entry.Original_release_date 2007-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'The R21A mutant of the alpha-spectrin SH3 domain (R21A Spc-SH3) in its free form' _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 Nico 'van Nuland' . A.J. . 7305 2 Salvador Casares . . . 7305 3 Eiso AB . . . 7305 4 Henk Eshuis . . . 7305 5 Obdulio Lopez-Mayorga . . . 7305 6 Francisco Conejero-Lara . . . 7305 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UGR . 7305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 467 7305 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-04 2006-09-28 original author . 7305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JM8 'BMRB Entry Tracking System' 7305 . 7306 'R21A Spc-SH3 bound' 7305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17407569 _Citation.Full_citation . _Citation.Title 'The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Salvador Casares . . . 7305 1 2 Eiso AB . . . 7305 1 3 Henk Eshuis . . . 7305 1 4 Obdulio Lopez-Mayorga . . . 7305 1 5 Nico 'van Nuland' . A.J. . 7305 1 6 Francisco Conejero-Lara . . . 7305 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7305 1 'protein structure' 7305 1 SH3 7305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7305 _Assembly.ID 1 _Assembly.Name 'R21A Spc-SH3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 protein 7305 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 'R21A Spc-SH3 monomer' 1 $free_R21A_Spc-SH3_domain . . no native no no . . . 7305 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'signalling protein' 7305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_free_R21A_Spc-SH3_domain _Entity.Sf_category entity _Entity.Sf_framecode free_R21A_Spc-SH3_domain _Entity.Entry_ID 7305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'R21A Spc-SH3 free' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details protein _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDETGKELVLALYDYQEKSP AEVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15144 . SH3_domain_from_chicken_alpha-spectrin . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 2 no BMRB 17915 . SH3 . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 3 no PDB 1AEY . "Alpha-Spectrin Src Homology 3 Domain, Solution Nmr, 15 Structures" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 4 no PDB 1M8M . "Solid-State Mas Nmr Structure Of The A-Spectrin Sh3 Domain" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 5 no PDB 1NEG . "Crystal Structure Analysis Of N-And C-Terminal Labeled Sh3- Domain Of Alpha-Chicken Spectrin" . . . . . 96.77 83 98.33 98.33 2.99e-34 . . . . 7305 1 6 no PDB 1PWT . "Thermodynamic Analysis Of Alpha-Spectrin Sh3 And Two Of Its Circular Permutants With Different Loop Lengths: Discerning The Rea" . . . . . 95.16 61 98.31 98.31 6.58e-33 . . . . 7305 1 7 no PDB 1SHG . "Crystal Structure Of A Src-Homology 3 (Sh3) Domain" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 8 no PDB 1U06 . "Crystal Structure Of Chicken Alpha-Spectrin Sh3 Domain" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 9 no PDB 2F2W . "Alpha-Spectrin Sh3 Domain R21a Mutant" . . . . . 100.00 62 100.00 100.00 4.22e-36 . . . . 7305 1 10 no PDB 2F2X . "Alpha-Spectrin Sh3 Domain R21g Mutant" . . . . . 100.00 62 98.39 98.39 2.00e-35 . . . . 7305 1 11 no PDB 2JM8 . "R21a Spc-Sh3 Free" . . . . . 100.00 62 100.00 100.00 4.22e-36 . . . . 7305 1 12 no PDB 2JM9 . "R21a Spc-Sh3 Bound" . . . . . 100.00 62 100.00 100.00 4.22e-36 . . . . 7305 1 13 no PDB 2JMA . "R21a Spc-Sh3:p41 Complex" . . . . . 100.00 62 100.00 100.00 4.22e-36 . . . . 7305 1 14 no PDB 2LJ3 . "Pfbd: High-Throughput Strategy Of Backbone Fold Determination For Small Well-Folded Proteins In Less Than A Day" . . . . . 100.00 63 98.39 98.39 2.90e-35 . . . . 7305 1 15 no PDB 2NUZ . "Crystal Structure Of Alpha Spectrin Sh3 Domain Measured At Room Temperature" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 16 no PDB 3M0P . "Crystal Structure Of The R21d Mutant Of Alpha-spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 4." . . . . . 100.00 62 98.39 98.39 5.25e-35 . . . . 7305 1 17 no PDB 3M0Q . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 5." . . . . . 100.00 62 98.39 98.39 5.25e-35 . . . . 7305 1 18 no PDB 3M0R . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 6." . . . . . 100.00 62 98.39 98.39 5.25e-35 . . . . 7305 1 19 no PDB 3M0S . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 7" . . . . . 91.94 57 98.25 98.25 5.35e-31 . . . . 7305 1 20 no PDB 3M0T . "Crystal Structure Of The R21d Mutant Of Alpha-Spectrin Sh3 Domain. Crystal Obtained In Ammonium Sulphate At Ph 9." . . . . . 100.00 62 98.39 98.39 5.25e-35 . . . . 7305 1 21 no PDB 3M0U . "Crystal Structure Of The R21d Mutant Of Alpha-spectrin Sh3 Domain. Hexagonal Crystal Obtained In Sodium Formate At Ph 6.5" . . . . . 100.00 62 98.39 98.39 5.25e-35 . . . . 7305 1 22 no PDB 3THK . "Structure Of Sh3 Chimera With A Type Ii Ligand Linked To The Chain C- Terminal" . . . . . 95.16 73 98.31 98.31 4.59e-33 . . . . 7305 1 23 no PDB 4F16 . "Crystal Structure Of The Alpha Spectrin Sh3 Domain At Ph 5" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 24 no PDB 4F17 . "Crystal Structure Of The Alpha Spectrin Sh3 Domain At Ph 9" . . . . . 100.00 62 98.39 98.39 2.83e-35 . . . . 7305 1 25 no DBJ BAD52438 . "non-erythrocytic spectrin alpha [Homo sapiens]" . . . . . 98.39 2452 98.36 98.36 6.10e-32 . . . . 7305 1 26 no DBJ BAD93097 . "spectrin, alpha, non-erythrocytic 1 (alpha-fodrin) variant [Homo sapiens]" . . . . . 98.39 2506 98.36 98.36 6.63e-32 . . . . 7305 1 27 no DBJ BAG57892 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 1312 98.36 98.36 5.22e-32 . . . . 7305 1 28 no DBJ BAG62120 . "unnamed protein product [Homo sapiens]" . . . . . 98.39 1176 98.36 98.36 4.56e-32 . . . . 7305 1 29 no DBJ BAG72795 . "spectrin, alpha, non-erythrocytic 1 [synthetic construct]" . . . . . 98.39 2472 98.36 98.36 6.05e-32 . . . . 7305 1 30 no EMBL CAA29435 . "unnamed protein product [Xenopus laevis]" . . . . . 91.94 454 98.25 98.25 3.23e-30 . . . . 7305 1 31 no EMBL CAA32663 . "spectrin alpha chain, partial [Gallus gallus]" . . . . . 98.39 2449 98.36 98.36 6.46e-32 . . . . 7305 1 32 no EMBL CAA62350 . "alphaII spectrin [Rattus norvegicus]" . . . . . 98.39 2472 98.36 98.36 6.29e-32 . . . . 7305 1 33 no EMBL CAB53710 . "hypothetical protein [Homo sapiens]" . . . . . 54.84 1325 100.00 100.00 4.18e-14 . . . . 7305 1 34 no EMBL CDQ79062 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.39 2460 98.36 98.36 7.92e-32 . . . . 7305 1 35 no GB AAA51702 . "alpha-fodrin, partial [Homo sapiens]" . . . . . 98.39 920 98.36 98.36 3.37e-32 . . . . 7305 1 36 no GB AAA51790 . "nonerythroid alpha-spectrin [Homo sapiens]" . . . . . 98.39 2472 98.36 98.36 6.11e-32 . . . . 7305 1 37 no GB AAA52468 . "alpha-fodrin, partial [Homo sapiens]" . . . . . 98.39 920 98.36 98.36 3.37e-32 . . . . 7305 1 38 no GB AAB41498 . "alpha II spectrin [Homo sapiens]" . . . . . 98.39 2477 98.36 98.36 6.00e-32 . . . . 7305 1 39 no GB AAB60364 . "alpha II spectrin, partial [Homo sapiens]" . . . . . 98.39 719 98.36 98.36 2.13e-32 . . . . 7305 1 40 no REF NP_001036003 . "spectrin alpha chain, non-erythrocytic 1 [Gallus gallus]" . . . . . 98.39 2477 98.36 98.36 7.07e-32 . . . . 7305 1 41 no REF NP_001070022 . "spectrin alpha chain, non-erythrocytic 1 isoform 1 [Mus musculus]" . . . . . 98.39 2478 98.36 98.36 6.00e-32 . . . . 7305 1 42 no REF NP_001090674 . "spectrin, alpha, non-erythrocytic 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.39 2471 98.36 98.36 7.34e-32 . . . . 7305 1 43 no REF NP_001091958 . "spectrin alpha chain, non-erythrocytic 1 [Danio rerio]" . . . . . 98.39 2480 98.36 98.36 7.49e-32 . . . . 7305 1 44 no REF NP_001107628 . "spectrin alpha chain, non-erythrocytic 1 [Bos taurus]" . . . . . 98.39 2472 98.36 98.36 6.29e-32 . . . . 7305 1 45 no SP P07751 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain [Gall" . . . . . 98.39 2477 98.36 98.36 7.07e-32 . . . . 7305 1 46 no SP P16086 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain [Ratt" . . . . . 98.39 2472 98.36 98.36 6.29e-32 . . . . 7305 1 47 no SP P16546 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain [Mus " . . . . . 98.39 2472 98.36 98.36 6.11e-32 . . . . 7305 1 48 no SP Q13813 . "RecName: Full=Spectrin alpha chain, non-erythrocytic 1; AltName: Full=Alpha-II spectrin; AltName: Full=Fodrin alpha chain; AltN" . . . . . 98.39 2472 98.36 98.36 6.05e-32 . . . . 7305 1 49 no TPG DAA24188 . "TPA: spectrin, alpha, non-erythrocytic 1 (alpha-fodrin) [Bos taurus]" . . . . . 98.39 2472 98.36 98.36 6.29e-32 . . . . 7305 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'signalling protein' 7305 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'alpha spectrin' . 7305 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'SRC-HOMOLOGY 3 DOMAIN' 7305 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7305 1 2 . ASP . 7305 1 3 . GLU . 7305 1 4 . THR . 7305 1 5 . GLY . 7305 1 6 . LYS . 7305 1 7 . GLU . 7305 1 8 . LEU . 7305 1 9 . VAL . 7305 1 10 . LEU . 7305 1 11 . ALA . 7305 1 12 . LEU . 7305 1 13 . TYR . 7305 1 14 . ASP . 7305 1 15 . TYR . 7305 1 16 . GLN . 7305 1 17 . GLU . 7305 1 18 . LYS . 7305 1 19 . SER . 7305 1 20 . PRO . 7305 1 21 . ALA . 7305 1 22 . GLU . 7305 1 23 . VAL . 7305 1 24 . THR . 7305 1 25 . MET . 7305 1 26 . LYS . 7305 1 27 . LYS . 7305 1 28 . GLY . 7305 1 29 . ASP . 7305 1 30 . ILE . 7305 1 31 . LEU . 7305 1 32 . THR . 7305 1 33 . LEU . 7305 1 34 . LEU . 7305 1 35 . ASN . 7305 1 36 . SER . 7305 1 37 . THR . 7305 1 38 . ASN . 7305 1 39 . LYS . 7305 1 40 . ASP . 7305 1 41 . TRP . 7305 1 42 . TRP . 7305 1 43 . LYS . 7305 1 44 . VAL . 7305 1 45 . GLU . 7305 1 46 . VAL . 7305 1 47 . ASN . 7305 1 48 . ASP . 7305 1 49 . ARG . 7305 1 50 . GLN . 7305 1 51 . GLY . 7305 1 52 . PHE . 7305 1 53 . VAL . 7305 1 54 . PRO . 7305 1 55 . ALA . 7305 1 56 . ALA . 7305 1 57 . TYR . 7305 1 58 . VAL . 7305 1 59 . LYS . 7305 1 60 . LYS . 7305 1 61 . LEU . 7305 1 62 . ASP . 7305 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7305 1 . ASP 2 2 7305 1 . GLU 3 3 7305 1 . THR 4 4 7305 1 . GLY 5 5 7305 1 . LYS 6 6 7305 1 . GLU 7 7 7305 1 . LEU 8 8 7305 1 . VAL 9 9 7305 1 . LEU 10 10 7305 1 . ALA 11 11 7305 1 . LEU 12 12 7305 1 . TYR 13 13 7305 1 . ASP 14 14 7305 1 . TYR 15 15 7305 1 . GLN 16 16 7305 1 . GLU 17 17 7305 1 . LYS 18 18 7305 1 . SER 19 19 7305 1 . PRO 20 20 7305 1 . ALA 21 21 7305 1 . GLU 22 22 7305 1 . VAL 23 23 7305 1 . THR 24 24 7305 1 . MET 25 25 7305 1 . LYS 26 26 7305 1 . LYS 27 27 7305 1 . GLY 28 28 7305 1 . ASP 29 29 7305 1 . ILE 30 30 7305 1 . LEU 31 31 7305 1 . THR 32 32 7305 1 . LEU 33 33 7305 1 . LEU 34 34 7305 1 . ASN 35 35 7305 1 . SER 36 36 7305 1 . THR 37 37 7305 1 . ASN 38 38 7305 1 . LYS 39 39 7305 1 . ASP 40 40 7305 1 . TRP 41 41 7305 1 . TRP 42 42 7305 1 . LYS 43 43 7305 1 . VAL 44 44 7305 1 . GLU 45 45 7305 1 . VAL 46 46 7305 1 . ASN 47 47 7305 1 . ASP 48 48 7305 1 . ARG 49 49 7305 1 . GLN 50 50 7305 1 . GLY 51 51 7305 1 . PHE 52 52 7305 1 . VAL 53 53 7305 1 . PRO 54 54 7305 1 . ALA 55 55 7305 1 . ALA 56 56 7305 1 . TYR 57 57 7305 1 . VAL 58 58 7305 1 . LYS 59 59 7305 1 . LYS 60 60 7305 1 . LEU 61 61 7305 1 . ASP 62 62 7305 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 7305 _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 $free_R21A_Spc-SH3_domain . 9031 organisms no . Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 7305 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 7305 _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 $free_R21A_Spc-SH3_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7305 _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 'R21A Spc-SH3 free' . . . 1 $free_R21A_Spc-SH3_domain . . 2 . . mM . . . . 7305 1 2 H2O . . . . . . . 90 . . % . . . . 7305 1 3 D2O . . . . . . . 10 . . % . . . . 7305 1 4 d5-glycine . . . . . . . 20 . . mM . . . . 7305 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7305 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.5 0.05 pH 7305 1 temperature 300 0.1 K 7305 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7305 _Software.ID 1 _Software.Name NMRView _Software.Version 5 _Software.Details 'Processing using NMRPIPE, analysis using NMRVIEW' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker DRX 750 MHz spectrometer, TXI-XYZ probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750MHz save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7305 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' no 1 $2D_TOCSY . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7305 1 2 '2D NOESY' no 1 $2D_TOCSY . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7305 1 stop_ save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 7305 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label $method_1 _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '2 mM R21A SH3-SH3 sample in 0.500 ml 90% H2O/10% D2O, 20 mM d5-glycine at pH 3.5, 300 K' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7305 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7305 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . 2D_NOESY 1 $sample_1 isotropic 7305 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . $method_1 7305 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 MET HA H 1 4.141 0.0 . 1 . . . . 1 MET HA . 7305 1 2 . 1 1 1 1 MET HB2 H 1 2.176 0.0 . 1 . . . . 1 MET HB1 . 7305 1 3 . 1 1 1 1 MET HB3 H 1 2.176 0.0 . 1 . . . . 1 MET HB2 . 7305 1 4 . 1 1 1 1 MET HG2 H 1 2.571 0.0 . 2 . . . . 1 MET HG1 . 7305 1 5 . 1 1 1 1 MET HG3 H 1 2.609 0.0 . 2 . . . . 1 MET HG2 . 7305 1 6 . 1 1 2 2 ASP H H 1 8.893 0.0 . 1 . . . . 2 ASP HN . 7305 1 7 . 1 1 2 2 ASP HA H 1 4.748 0.0 . 1 . . . . 2 ASP HA . 7305 1 8 . 1 1 2 2 ASP HB2 H 1 2.875 0.0 . 2 . . . . 2 ASP HB1 . 7305 1 9 . 1 1 2 2 ASP HB3 H 1 2.789 0.0 . 2 . . . . 2 ASP HB2 . 7305 1 10 . 1 1 3 3 GLU H H 1 8.637 0.0 . 1 . . . . 3 GLU HN . 7305 1 11 . 1 1 3 3 GLU HA H 1 4.464 0.0 . 1 . . . . 3 GLU HA . 7305 1 12 . 1 1 3 3 GLU HB2 H 1 2.184 0.0 . 2 . . . . 3 GLU HB1 . 7305 1 13 . 1 1 3 3 GLU HB3 H 1 1.971 0.0 . 2 . . . . 3 GLU HB2 . 7305 1 14 . 1 1 3 3 GLU HG2 H 1 2.469 0.0 . 1 . . . . 3 GLU HG1 . 7305 1 15 . 1 1 3 3 GLU HG3 H 1 2.469 0.0 . 1 . . . . 3 GLU HG2 . 7305 1 16 . 1 1 4 4 THR H H 1 8.241 0.0 . 1 . . . . 4 THR HN . 7305 1 17 . 1 1 4 4 THR HA H 1 4.296 0.0 . 1 . . . . 4 THR HA . 7305 1 18 . 1 1 4 4 THR HB H 1 4.233 0.0 . 1 . . . . 4 THR HB . 7305 1 19 . 1 1 4 4 THR HG21 H 1 1.217 0.0 . 1 . . . . 4 THR HG21 . 7305 1 20 . 1 1 4 4 THR HG22 H 1 1.217 0.0 . 1 . . . . 4 THR HG21 . 7305 1 21 . 1 1 4 4 THR HG23 H 1 1.217 0.0 . 1 . . . . 4 THR HG21 . 7305 1 22 . 1 1 5 5 GLY H H 1 8.446 0.0 . 1 . . . . 5 GLY HN . 7305 1 23 . 1 1 5 5 GLY HA2 H 1 3.97 0.0 . 1 . . . . 5 GLY HA1 . 7305 1 24 . 1 1 5 5 GLY HA3 H 1 3.97 0.0 . 1 . . . . 5 GLY HA2 . 7305 1 25 . 1 1 6 6 LYS H H 1 8.033 0.0 . 1 . . . . 6 LYS HN . 7305 1 26 . 1 1 6 6 LYS HA H 1 4.392 0.0 . 1 . . . . 6 LYS HA . 7305 1 27 . 1 1 6 6 LYS HB2 H 1 1.815 0.0 . 2 . . . . 6 LYS HB1 . 7305 1 28 . 1 1 6 6 LYS HB3 H 1 1.699 0.0 . 2 . . . . 6 LYS HB2 . 7305 1 29 . 1 1 6 6 LYS HG2 H 1 1.411 0.0 . 2 . . . . 6 LYS HG1 . 7305 1 30 . 1 1 6 6 LYS HG3 H 1 1.347 0.0 . 2 . . . . 6 LYS HG2 . 7305 1 31 . 1 1 6 6 LYS HD2 H 1 1.681 0.0 . 1 . . . . 6 LYS HD1 . 7305 1 32 . 1 1 6 6 LYS HD3 H 1 1.681 0.0 . 1 . . . . 6 LYS HD2 . 7305 1 33 . 1 1 6 6 LYS HE2 H 1 2.975 0.0 . 1 . . . . 6 LYS HE1 . 7305 1 34 . 1 1 6 6 LYS HE3 H 1 2.975 0.0 . 1 . . . . 6 LYS HE2 . 7305 1 35 . 1 1 7 7 GLU H H 1 8.669 0.0 . 1 . . . . 7 GLU HN . 7305 1 36 . 1 1 7 7 GLU HA H 1 4.532 0.0 . 1 . . . . 7 GLU HA . 7305 1 37 . 1 1 7 7 GLU HB2 H 1 2.063 0.0 . 2 . . . . 7 GLU HB1 . 7305 1 38 . 1 1 7 7 GLU HB3 H 1 2.027 0.0 . 2 . . . . 7 GLU HB2 . 7305 1 39 . 1 1 7 7 GLU HG2 H 1 2.382 0.0 . 2 . . . . 7 GLU HG1 . 7305 1 40 . 1 1 7 7 GLU HG3 H 1 2.491 0.0 . 2 . . . . 7 GLU HG2 . 7305 1 41 . 1 1 8 8 LEU H H 1 8.352 0.0 . 1 . . . . 8 LEU HN . 7305 1 42 . 1 1 8 8 LEU HA H 1 5.414 0.0 . 1 . . . . 8 LEU HA . 7305 1 43 . 1 1 8 8 LEU HB2 H 1 1.355 0.0 . 1 . . . . 8 LEU HB1 . 7305 1 44 . 1 1 8 8 LEU HB3 H 1 1.355 0.0 . 1 . . . . 8 LEU HB2 . 7305 1 45 . 1 1 8 8 LEU HG H 1 1.681 0.0 . 1 . . . . 8 LEU HG . 7305 1 46 . 1 1 8 8 LEU HD11 H 1 0.849 0.0 . 4 . . . . 8 LEU HD11 . 7305 1 47 . 1 1 8 8 LEU HD12 H 1 0.849 0.0 . 4 . . . . 8 LEU HD11 . 7305 1 48 . 1 1 8 8 LEU HD13 H 1 0.849 0.0 . 4 . . . . 8 LEU HD11 . 7305 1 49 . 1 1 8 8 LEU HD21 H 1 0.785 0.0 . 4 . . . . 8 LEU HD21 . 7305 1 50 . 1 1 8 8 LEU HD22 H 1 0.785 0.0 . 4 . . . . 8 LEU HD21 . 7305 1 51 . 1 1 8 8 LEU HD23 H 1 0.785 0.0 . 4 . . . . 8 LEU HD21 . 7305 1 52 . 1 1 9 9 VAL H H 1 9.169 0.0 . 1 . . . . 9 VAL HN . 7305 1 53 . 1 1 9 9 VAL HA H 1 5.231 0.0 . 1 . . . . 9 VAL HA . 7305 1 54 . 1 1 9 9 VAL HB H 1 2.029 0.0 . 1 . . . . 9 VAL HB . 7305 1 55 . 1 1 9 9 VAL HG11 H 1 1.052 0.0 . 4 . . . . 9 VAL HG11 . 7305 1 56 . 1 1 9 9 VAL HG12 H 1 1.052 0.0 . 4 . . . . 9 VAL HG11 . 7305 1 57 . 1 1 9 9 VAL HG13 H 1 1.052 0.0 . 4 . . . . 9 VAL HG11 . 7305 1 58 . 1 1 9 9 VAL HG21 H 1 0.826 0.0 . 4 . . . . 9 VAL HG21 . 7305 1 59 . 1 1 9 9 VAL HG22 H 1 0.826 0.0 . 4 . . . . 9 VAL HG21 . 7305 1 60 . 1 1 9 9 VAL HG23 H 1 0.826 0.0 . 4 . . . . 9 VAL HG21 . 7305 1 61 . 1 1 10 10 LEU H H 1 9.027 0.0 . 1 . . . . 10 LEU HN . 7305 1 62 . 1 1 10 10 LEU HA H 1 5.13 0.0 . 1 . . . . 10 LEU HA . 7305 1 63 . 1 1 10 10 LEU HB2 H 1 1.726 0.0 . 2 . . . . 10 LEU HB1 . 7305 1 64 . 1 1 10 10 LEU HB3 H 1 1.398 0.0 . 2 . . . . 10 LEU HB2 . 7305 1 65 . 1 1 10 10 LEU HG H 1 1.273 0.0 . 1 . . . . 10 LEU HG . 7305 1 66 . 1 1 10 10 LEU HD11 H 1 0.868 0.0 . 2 . . . . 10 LEU HD11 . 7305 1 67 . 1 1 10 10 LEU HD12 H 1 0.868 0.0 . 2 . . . . 10 LEU HD11 . 7305 1 68 . 1 1 10 10 LEU HD13 H 1 0.868 0.0 . 2 . . . . 10 LEU HD11 . 7305 1 69 . 1 1 10 10 LEU HD21 H 1 0.827 0.0 . 4 . . . . 10 LEU HD21 . 7305 1 70 . 1 1 10 10 LEU HD22 H 1 0.827 0.0 . 4 . . . . 10 LEU HD21 . 7305 1 71 . 1 1 10 10 LEU HD23 H 1 0.827 0.0 . 4 . . . . 10 LEU HD21 . 7305 1 72 . 1 1 11 11 ALA H H 1 9.089 0.0 . 1 . . . . 11 ALA HN . 7305 1 73 . 1 1 11 11 ALA HA H 1 4.619 0.0 . 1 . . . . 11 ALA HA . 7305 1 74 . 1 1 11 11 ALA HB1 H 1 1.676 0.0 . 1 . . . . 11 ALA HB1 . 7305 1 75 . 1 1 11 11 ALA HB2 H 1 1.676 0.0 . 1 . . . . 11 ALA HB1 . 7305 1 76 . 1 1 11 11 ALA HB3 H 1 1.676 0.0 . 1 . . . . 11 ALA HB1 . 7305 1 77 . 1 1 12 12 LEU H H 1 9.258 0.0 . 1 . . . . 12 LEU HN . 7305 1 78 . 1 1 12 12 LEU HA H 1 3.928 0.0 . 1 . . . . 12 LEU HA . 7305 1 79 . 1 1 12 12 LEU HB2 H 1 1.207 0.0 . 2 . . . . 12 LEU HB1 . 7305 1 80 . 1 1 12 12 LEU HB3 H 1 0.762 0.0 . 2 . . . . 12 LEU HB2 . 7305 1 81 . 1 1 12 12 LEU HG H 1 1.39 0.0 . 1 . . . . 12 LEU HG . 7305 1 82 . 1 1 12 12 LEU HD11 H 1 0.713 0.0 . 4 . . . . 12 LEU HD11 . 7305 1 83 . 1 1 12 12 LEU HD12 H 1 0.713 0.0 . 4 . . . . 12 LEU HD11 . 7305 1 84 . 1 1 12 12 LEU HD13 H 1 0.713 0.0 . 4 . . . . 12 LEU HD11 . 7305 1 85 . 1 1 12 12 LEU HD21 H 1 0.651 0.0 . 2 . . . . 12 LEU HD21 . 7305 1 86 . 1 1 12 12 LEU HD22 H 1 0.651 0.0 . 2 . . . . 12 LEU HD21 . 7305 1 87 . 1 1 12 12 LEU HD23 H 1 0.651 0.0 . 2 . . . . 12 LEU HD21 . 7305 1 88 . 1 1 13 13 TYR H H 1 7.1 0.0 . 1 . . . . 13 TYR HN . 7305 1 89 . 1 1 13 13 TYR HA H 1 4.623 0.0 . 1 . . . . 13 TYR HA . 7305 1 90 . 1 1 13 13 TYR HB2 H 1 3.035 0.0 . 2 . . . . 13 TYR HB1 . 7305 1 91 . 1 1 13 13 TYR HB3 H 1 2.044 0.0 . 2 . . . . 13 TYR HB2 . 7305 1 92 . 1 1 13 13 TYR HD1 H 1 6.672 0.0 . 1 . . . . 13 TYR HD1 . 7305 1 93 . 1 1 13 13 TYR HD2 H 1 6.672 0.0 . 1 . . . . 13 TYR HD2 . 7305 1 94 . 1 1 13 13 TYR HE1 H 1 6.628 0.0 . 1 . . . . 13 TYR HE1 . 7305 1 95 . 1 1 13 13 TYR HE2 H 1 6.628 0.0 . 1 . . . . 13 TYR HE2 . 7305 1 96 . 1 1 14 14 ASP H H 1 8.411 0.0 . 1 . . . . 14 ASP HN . 7305 1 97 . 1 1 14 14 ASP HA H 1 4.661 0.0 . 1 . . . . 14 ASP HA . 7305 1 98 . 1 1 14 14 ASP HB2 H 1 2.92 0.0 . 2 . . . . 14 ASP HB1 . 7305 1 99 . 1 1 14 14 ASP HB3 H 1 2.707 0.0 . 2 . . . . 14 ASP HB2 . 7305 1 100 . 1 1 15 15 TYR H H 1 8.687 0.0 . 1 . . . . 15 TYR HN . 7305 1 101 . 1 1 15 15 TYR HA H 1 4.726 0.0 . 1 . . . . 15 TYR HA . 7305 1 102 . 1 1 15 15 TYR HB2 H 1 3.073 0.0 . 2 . . . . 15 TYR HB1 . 7305 1 103 . 1 1 15 15 TYR HB3 H 1 2.881 0.0 . 2 . . . . 15 TYR HB2 . 7305 1 104 . 1 1 15 15 TYR HD1 H 1 7.35 0.0 . 1 . . . . 15 TYR HD1 . 7305 1 105 . 1 1 15 15 TYR HD2 H 1 7.35 0.0 . 1 . . . . 15 TYR HD2 . 7305 1 106 . 1 1 15 15 TYR HE1 H 1 6.96 0.0 . 1 . . . . 15 TYR HE1 . 7305 1 107 . 1 1 15 15 TYR HE2 H 1 6.96 0.0 . 1 . . . . 15 TYR HE2 . 7305 1 108 . 1 1 16 16 GLN H H 1 7.678 0.0 . 1 . . . . 16 GLN HN . 7305 1 109 . 1 1 16 16 GLN HA H 1 4.563 0.0 . 1 . . . . 16 GLN HA . 7305 1 110 . 1 1 16 16 GLN HB2 H 1 1.806 0.0 . 1 . . . . 16 GLN HB1 . 7305 1 111 . 1 1 16 16 GLN HB3 H 1 1.806 0.0 . 1 . . . . 16 GLN HB2 . 7305 1 112 . 1 1 16 16 GLN HG2 H 1 2.298 0.0 . 2 . . . . 16 GLN HG1 . 7305 1 113 . 1 1 16 16 GLN HG3 H 1 2.252 0.0 . 2 . . . . 16 GLN HG2 . 7305 1 114 . 1 1 16 16 GLN HE21 H 1 7.5 0.0 . 2 . . . . 16 GLN HE21 . 7305 1 115 . 1 1 16 16 GLN HE22 H 1 6.835 0.0 . 2 . . . . 16 GLN HE22 . 7305 1 116 . 1 1 17 17 GLU H H 1 8.105 0.0 . 1 . . . . 17 GLU HN . 7305 1 117 . 1 1 17 17 GLU HA H 1 4.098 0.0 . 1 . . . . 17 GLU HA . 7305 1 118 . 1 1 17 17 GLU HB2 H 1 2.247 0.0 . 2 . . . . 17 GLU HB1 . 7305 1 119 . 1 1 17 17 GLU HB3 H 1 1.847 0.0 . 2 . . . . 17 GLU HB2 . 7305 1 120 . 1 1 17 17 GLU HG2 H 1 2.355 0.0 . 1 . . . . 17 GLU HG1 . 7305 1 121 . 1 1 17 17 GLU HG3 H 1 2.355 0.0 . 1 . . . . 17 GLU HG2 . 7305 1 122 . 1 1 18 18 LYS H H 1 8.445 0.0 . 1 . . . . 18 LYS HN . 7305 1 123 . 1 1 18 18 LYS HA H 1 4.429 0.0 . 1 . . . . 18 LYS HA . 7305 1 124 . 1 1 18 18 LYS HB2 H 1 2.013 0.0 . 2 . . . . 18 LYS HB1 . 7305 1 125 . 1 1 18 18 LYS HB3 H 1 1.916 0.0 . 2 . . . . 18 LYS HB2 . 7305 1 126 . 1 1 18 18 LYS HG2 H 1 1.601 0.0 . 2 . . . . 18 LYS HG1 . 7305 1 127 . 1 1 18 18 LYS HG3 H 1 1.47 0.0 . 2 . . . . 18 LYS HG2 . 7305 1 128 . 1 1 18 18 LYS HD2 H 1 1.733 0.0 . 1 . . . . 18 LYS HD1 . 7305 1 129 . 1 1 18 18 LYS HD3 H 1 1.733 0.0 . 1 . . . . 18 LYS HD2 . 7305 1 130 . 1 1 18 18 LYS HE2 H 1 3.062 0.0 . 1 . . . . 18 LYS HE1 . 7305 1 131 . 1 1 18 18 LYS HE3 H 1 3.062 0.0 . 1 . . . . 18 LYS HE2 . 7305 1 132 . 1 1 19 19 SER H H 1 7.778 0.0 . 1 . . . . 19 SER HN . 7305 1 133 . 1 1 19 19 SER HA H 1 4.897 0.0 . 1 . . . . 19 SER HA . 7305 1 134 . 1 1 19 19 SER HB2 H 1 4.13 0.0 . 2 . . . . 19 SER HB1 . 7305 1 135 . 1 1 19 19 SER HB3 H 1 3.655 0.0 . 2 . . . . 19 SER HB2 . 7305 1 136 . 1 1 20 20 PRO HA H 1 4.535 0.0 . 1 . . . . 20 PRO HA . 7305 1 137 . 1 1 20 20 PRO HB2 H 1 2.083 0.0 . 2 . . . . 20 PRO HB1 . 7305 1 138 . 1 1 20 20 PRO HB3 H 1 2.461 0.0 . 2 . . . . 20 PRO HB2 . 7305 1 139 . 1 1 20 20 PRO HG2 H 1 1.992 0.0 . 1 . . . . 20 PRO HG1 . 7305 1 140 . 1 1 20 20 PRO HG3 H 1 1.992 0.0 . 1 . . . . 20 PRO HG2 . 7305 1 141 . 1 1 20 20 PRO HD2 H 1 3.875 0.0 . 2 . . . . 20 PRO HD1 . 7305 1 142 . 1 1 20 20 PRO HD3 H 1 3.778 0.0 . 2 . . . . 20 PRO HD2 . 7305 1 143 . 1 1 21 21 ALA H H 1 7.754 0.0 . 1 . . . . 21 ALA HN . 7305 1 144 . 1 1 21 21 ALA HA H 1 4.535 0.0 . 1 . . . . 21 ALA HA . 7305 1 145 . 1 1 21 21 ALA HB1 H 1 1.456 0.0 . 1 . . . . 21 ALA HB1 . 7305 1 146 . 1 1 21 21 ALA HB2 H 1 1.456 0.0 . 1 . . . . 21 ALA HB1 . 7305 1 147 . 1 1 21 21 ALA HB3 H 1 1.456 0.0 . 1 . . . . 21 ALA HB1 . 7305 1 148 . 1 1 22 22 GLU H H 1 7.792 0.0 . 1 . . . . 22 GLU HN . 7305 1 149 . 1 1 22 22 GLU HA H 1 5.456 0.0 . 1 . . . . 22 GLU HA . 7305 1 150 . 1 1 22 22 GLU HB2 H 1 2.269 0.0 . 1 . . . . 22 GLU HB1 . 7305 1 151 . 1 1 22 22 GLU HB3 H 1 2.269 0.0 . 1 . . . . 22 GLU HB2 . 7305 1 152 . 1 1 22 22 GLU HG2 H 1 2.663 0.0 . 2 . . . . 22 GLU HG1 . 7305 1 153 . 1 1 22 22 GLU HG3 H 1 2.542 0.0 . 2 . . . . 22 GLU HG2 . 7305 1 154 . 1 1 23 23 VAL H H 1 7.449 0.0 . 1 . . . . 23 VAL HN . 7305 1 155 . 1 1 23 23 VAL HA H 1 4.549 0.0 . 1 . . . . 23 VAL HA . 7305 1 156 . 1 1 23 23 VAL HB H 1 1.745 0.0 . 1 . . . . 23 VAL HB . 7305 1 157 . 1 1 23 23 VAL HG11 H 1 0.706 0.0 . 2 . . . . 23 VAL HG11 . 7305 1 158 . 1 1 23 23 VAL HG12 H 1 0.706 0.0 . 2 . . . . 23 VAL HG11 . 7305 1 159 . 1 1 23 23 VAL HG13 H 1 0.706 0.0 . 2 . . . . 23 VAL HG11 . 7305 1 160 . 1 1 23 23 VAL HG21 H 1 0.63 0.0 . 2 . . . . 23 VAL HG21 . 7305 1 161 . 1 1 23 23 VAL HG22 H 1 0.63 0.0 . 2 . . . . 23 VAL HG21 . 7305 1 162 . 1 1 23 23 VAL HG23 H 1 0.63 0.0 . 2 . . . . 23 VAL HG21 . 7305 1 163 . 1 1 24 24 THR H H 1 7.607 0.0 . 1 . . . . 24 THR HN . 7305 1 164 . 1 1 24 24 THR HA H 1 5.032 0.0 . 1 . . . . 24 THR HA . 7305 1 165 . 1 1 24 24 THR HB H 1 4.016 0.0 . 1 . . . . 24 THR HB . 7305 1 166 . 1 1 24 24 THR HG21 H 1 1.337 0.0 . 1 . . . . 24 THR HG21 . 7305 1 167 . 1 1 24 24 THR HG22 H 1 1.337 0.0 . 1 . . . . 24 THR HG21 . 7305 1 168 . 1 1 24 24 THR HG23 H 1 1.337 0.0 . 1 . . . . 24 THR HG21 . 7305 1 169 . 1 1 25 25 MET H H 1 9.523 0.0 . 1 . . . . 25 MET HN . 7305 1 170 . 1 1 25 25 MET HA H 1 4.906 0.0 . 1 . . . . 25 MET HA . 7305 1 171 . 1 1 25 25 MET HB2 H 1 2.155 0.0 . 2 . . . . 25 MET HB1 . 7305 1 172 . 1 1 25 25 MET HB3 H 1 1.929 0.0 . 2 . . . . 25 MET HB2 . 7305 1 173 . 1 1 25 25 MET HG2 H 1 2.742 0.0 . 2 . . . . 25 MET HG1 . 7305 1 174 . 1 1 25 25 MET HG3 H 1 2.594 0.0 . 2 . . . . 25 MET HG2 . 7305 1 175 . 1 1 25 25 MET HE1 H 1 2.202 0.0 . 1 . . . . 25 MET HE1 . 7305 1 176 . 1 1 25 25 MET HE2 H 1 2.202 0.0 . 1 . . . . 25 MET HE1 . 7305 1 177 . 1 1 25 25 MET HE3 H 1 2.202 0.0 . 1 . . . . 25 MET HE1 . 7305 1 178 . 1 1 26 26 LYS H H 1 8.356 0.0 . 1 . . . . 26 LYS HN . 7305 1 179 . 1 1 26 26 LYS HA H 1 4.89 0.0 . 1 . . . . 26 LYS HA . 7305 1 180 . 1 1 26 26 LYS HB2 H 1 1.739 0.0 . 1 . . . . 26 LYS HB1 . 7305 1 181 . 1 1 26 26 LYS HB3 H 1 1.739 0.0 . 1 . . . . 26 LYS HB2 . 7305 1 182 . 1 1 26 26 LYS HG2 H 1 1.441 0.0 . 1 . . . . 26 LYS HG1 . 7305 1 183 . 1 1 26 26 LYS HG3 H 1 1.441 0.0 . 1 . . . . 26 LYS HG2 . 7305 1 184 . 1 1 26 26 LYS HD2 H 1 1.663 0.0 . 1 . . . . 26 LYS HD1 . 7305 1 185 . 1 1 26 26 LYS HD3 H 1 1.663 0.0 . 1 . . . . 26 LYS HD2 . 7305 1 186 . 1 1 26 26 LYS HE2 H 1 3.012 0.0 . 1 . . . . 26 LYS HE1 . 7305 1 187 . 1 1 26 26 LYS HE3 H 1 3.012 0.0 . 1 . . . . 26 LYS HE2 . 7305 1 188 . 1 1 27 27 LYS H H 1 8.839 0.0 . 1 . . . . 27 LYS HN . 7305 1 189 . 1 1 27 27 LYS HA H 1 3.297 0.0 . 1 . . . . 27 LYS HA . 7305 1 190 . 1 1 27 27 LYS HB2 H 1 1.487 0.0 . 1 . . . . 27 LYS HB1 . 7305 1 191 . 1 1 27 27 LYS HB3 H 1 1.487 0.0 . 1 . . . . 27 LYS HB2 . 7305 1 192 . 1 1 27 27 LYS HG2 H 1 1.124 0.0 . 1 . . . . 27 LYS HG1 . 7305 1 193 . 1 1 27 27 LYS HG3 H 1 1.124 0.0 . 1 . . . . 27 LYS HG2 . 7305 1 194 . 1 1 27 27 LYS HD2 H 1 1.611 0.0 . 1 . . . . 27 LYS HD1 . 7305 1 195 . 1 1 27 27 LYS HD3 H 1 1.611 0.0 . 1 . . . . 27 LYS HD2 . 7305 1 196 . 1 1 27 27 LYS HE2 H 1 2.945 0.0 . 1 . . . . 27 LYS HE1 . 7305 1 197 . 1 1 27 27 LYS HE3 H 1 2.945 0.0 . 1 . . . . 27 LYS HE2 . 7305 1 198 . 1 1 27 27 LYS HZ1 H 1 7.452 0.0 . 1 . . . . 27 LYS HZ1 . 7305 1 199 . 1 1 27 27 LYS HZ2 H 1 7.452 0.0 . 1 . . . . 27 LYS HZ1 . 7305 1 200 . 1 1 27 27 LYS HZ3 H 1 7.452 0.0 . 1 . . . . 27 LYS HZ1 . 7305 1 201 . 1 1 28 28 GLY H H 1 8.858 0.0 . 1 . . . . 28 GLY HN . 7305 1 202 . 1 1 28 28 GLY HA2 H 1 4.483 0.0 . 2 . . . . 28 GLY HA1 . 7305 1 203 . 1 1 28 28 GLY HA3 H 1 3.541 0.0 . 2 . . . . 28 GLY HA2 . 7305 1 204 . 1 1 29 29 ASP H H 1 8.456 0.0 . 1 . . . . 29 ASP HN . 7305 1 205 . 1 1 29 29 ASP HA H 1 4.58 0.0 . 1 . . . . 29 ASP HA . 7305 1 206 . 1 1 29 29 ASP HB2 H 1 2.895 0.0 . 2 . . . . 29 ASP HB1 . 7305 1 207 . 1 1 29 29 ASP HB3 H 1 2.625 0.0 . 2 . . . . 29 ASP HB2 . 7305 1 208 . 1 1 30 30 ILE H H 1 8.194 0.0 . 1 . . . . 30 ILE HN . 7305 1 209 . 1 1 30 30 ILE HA H 1 5.006 0.0 . 1 . . . . 30 ILE HA . 7305 1 210 . 1 1 30 30 ILE HB H 1 1.813 0.0 . 1 . . . . 30 ILE HB . 7305 1 211 . 1 1 30 30 ILE HG12 H 1 1.146 0.0 . 1 . . . . 30 ILE HG11 . 7305 1 212 . 1 1 30 30 ILE HG13 H 1 1.146 0.0 . 1 . . . . 30 ILE HG12 . 7305 1 213 . 1 1 30 30 ILE HG21 H 1 0.911 0.0 . 4 . . . . 30 ILE HG21 . 7305 1 214 . 1 1 30 30 ILE HG22 H 1 0.911 0.0 . 4 . . . . 30 ILE HG21 . 7305 1 215 . 1 1 30 30 ILE HG23 H 1 0.911 0.0 . 4 . . . . 30 ILE HG21 . 7305 1 216 . 1 1 30 30 ILE HD11 H 1 0.875 0.0 . 1 . . . . 30 ILE HD11 . 7305 1 217 . 1 1 30 30 ILE HD12 H 1 0.875 0.0 . 1 . . . . 30 ILE HD11 . 7305 1 218 . 1 1 30 30 ILE HD13 H 1 0.875 0.0 . 1 . . . . 30 ILE HD11 . 7305 1 219 . 1 1 31 31 LEU H H 1 9.363 0.0 . 1 . . . . 31 LEU HN . 7305 1 220 . 1 1 31 31 LEU HA H 1 5.015 0.0 . 1 . . . . 31 LEU HA . 7305 1 221 . 1 1 31 31 LEU HB2 H 1 1.639 0.0 . 2 . . . . 31 LEU HB1 . 7305 1 222 . 1 1 31 31 LEU HB3 H 1 1.473 0.0 . 2 . . . . 31 LEU HB2 . 7305 1 223 . 1 1 31 31 LEU HG H 1 1.604 0.0 . 1 . . . . 31 LEU HG . 7305 1 224 . 1 1 31 31 LEU HD11 H 1 0.884 0.0 . 2 . . . . 31 LEU HD11 . 7305 1 225 . 1 1 31 31 LEU HD12 H 1 0.884 0.0 . 2 . . . . 31 LEU HD11 . 7305 1 226 . 1 1 31 31 LEU HD13 H 1 0.884 0.0 . 2 . . . . 31 LEU HD11 . 7305 1 227 . 1 1 31 31 LEU HD21 H 1 0.921 0.0 . 2 . . . . 31 LEU HD21 . 7305 1 228 . 1 1 31 31 LEU HD22 H 1 0.921 0.0 . 2 . . . . 31 LEU HD21 . 7305 1 229 . 1 1 31 31 LEU HD23 H 1 0.921 0.0 . 2 . . . . 31 LEU HD21 . 7305 1 230 . 1 1 32 32 THR H H 1 8.453 0.0 . 1 . . . . 32 THR HN . 7305 1 231 . 1 1 32 32 THR HA H 1 4.628 0.0 . 1 . . . . 32 THR HA . 7305 1 232 . 1 1 32 32 THR HB H 1 4.078 0.0 . 1 . . . . 32 THR HB . 7305 1 233 . 1 1 32 32 THR HG21 H 1 1.154 0.0 . 1 . . . . 32 THR HG21 . 7305 1 234 . 1 1 32 32 THR HG22 H 1 1.154 0.0 . 1 . . . . 32 THR HG21 . 7305 1 235 . 1 1 32 32 THR HG23 H 1 1.154 0.0 . 1 . . . . 32 THR HG21 . 7305 1 236 . 1 1 33 33 LEU H H 1 9.033 0.0 . 1 . . . . 33 LEU HN . 7305 1 237 . 1 1 33 33 LEU HA H 1 4.412 0.0 . 1 . . . . 33 LEU HA . 7305 1 238 . 1 1 33 33 LEU HB2 H 1 1.828 0.0 . 1 . . . . 33 LEU HB1 . 7305 1 239 . 1 1 33 33 LEU HB3 H 1 1.828 0.0 . 1 . . . . 33 LEU HB2 . 7305 1 240 . 1 1 33 33 LEU HG H 1 1.154 0.0 . 1 . . . . 33 LEU HG . 7305 1 241 . 1 1 33 33 LEU HD11 H 1 0.395 0.0 . 2 . . . . 33 LEU HD11 . 7305 1 242 . 1 1 33 33 LEU HD12 H 1 0.395 0.0 . 2 . . . . 33 LEU HD11 . 7305 1 243 . 1 1 33 33 LEU HD13 H 1 0.395 0.0 . 2 . . . . 33 LEU HD11 . 7305 1 244 . 1 1 33 33 LEU HD21 H 1 0.713 0.0 . 2 . . . . 33 LEU HD21 . 7305 1 245 . 1 1 33 33 LEU HD22 H 1 0.713 0.0 . 2 . . . . 33 LEU HD21 . 7305 1 246 . 1 1 33 33 LEU HD23 H 1 0.713 0.0 . 2 . . . . 33 LEU HD21 . 7305 1 247 . 1 1 34 34 LEU H H 1 9.068 0.0 . 1 . . . . 34 LEU HN . 7305 1 248 . 1 1 34 34 LEU HA H 1 4.537 0.0 . 1 . . . . 34 LEU HA . 7305 1 249 . 1 1 34 34 LEU HB2 H 1 1.446 0.0 . 2 . . . . 34 LEU HB1 . 7305 1 250 . 1 1 34 34 LEU HB3 H 1 1.202 0.0 . 2 . . . . 34 LEU HB2 . 7305 1 251 . 1 1 34 34 LEU HG H 1 1.446 0.0 . 1 . . . . 34 LEU HG . 7305 1 252 . 1 1 34 34 LEU HD11 H 1 0.711 0.0 . 2 . . . . 34 LEU HD11 . 7305 1 253 . 1 1 34 34 LEU HD12 H 1 0.711 0.0 . 2 . . . . 34 LEU HD11 . 7305 1 254 . 1 1 34 34 LEU HD13 H 1 0.711 0.0 . 2 . . . . 34 LEU HD11 . 7305 1 255 . 1 1 34 34 LEU HD21 H 1 0.753 0.0 . 2 . . . . 34 LEU HD21 . 7305 1 256 . 1 1 34 34 LEU HD22 H 1 0.753 0.0 . 2 . . . . 34 LEU HD21 . 7305 1 257 . 1 1 34 34 LEU HD23 H 1 0.753 0.0 . 2 . . . . 34 LEU HD21 . 7305 1 258 . 1 1 35 35 ASN H H 1 7.647 0.0 . 1 . . . . 35 ASN HN . 7305 1 259 . 1 1 35 35 ASN HA H 1 4.741 0.0 . 1 . . . . 35 ASN HA . 7305 1 260 . 1 1 35 35 ASN HB2 H 1 2.829 0.0 . 2 . . . . 35 ASN HB1 . 7305 1 261 . 1 1 35 35 ASN HB3 H 1 2.693 0.0 . 2 . . . . 35 ASN HB2 . 7305 1 262 . 1 1 35 35 ASN HD21 H 1 7.941 0.0 . 2 . . . . 35 ASN HD21 . 7305 1 263 . 1 1 35 35 ASN HD22 H 1 7.214 0.0 . 2 . . . . 35 ASN HD22 . 7305 1 264 . 1 1 36 36 SER H H 1 9.138 0.0 . 1 . . . . 36 SER HN . 7305 1 265 . 1 1 36 36 SER HA H 1 4.005 0.0 . 1 . . . . 36 SER HA . 7305 1 266 . 1 1 36 36 SER HB2 H 1 2.882 0.0 . 2 . . . . 36 SER HB1 . 7305 1 267 . 1 1 36 36 SER HB3 H 1 2.068 0.0 . 2 . . . . 36 SER HB2 . 7305 1 268 . 1 1 37 37 THR H H 1 8.2 0.0 . 1 . . . . 37 THR HN . 7305 1 269 . 1 1 37 37 THR HA H 1 3.992 0.0 . 1 . . . . 37 THR HA . 7305 1 270 . 1 1 37 37 THR HB H 1 4.278 0.0 . 1 . . . . 37 THR HB . 7305 1 271 . 1 1 37 37 THR HG21 H 1 1.324 0.0 . 1 . . . . 37 THR HG21 . 7305 1 272 . 1 1 37 37 THR HG22 H 1 1.324 0.0 . 1 . . . . 37 THR HG21 . 7305 1 273 . 1 1 37 37 THR HG23 H 1 1.324 0.0 . 1 . . . . 37 THR HG21 . 7305 1 274 . 1 1 38 38 ASN H H 1 8.728 0.0 . 1 . . . . 38 ASN HN . 7305 1 275 . 1 1 38 38 ASN HA H 1 4.855 0.0 . 1 . . . . 38 ASN HA . 7305 1 276 . 1 1 38 38 ASN HB2 H 1 3.764 0.0 . 2 . . . . 38 ASN HB1 . 7305 1 277 . 1 1 38 38 ASN HB3 H 1 2.898 0.0 . 2 . . . . 38 ASN HB2 . 7305 1 278 . 1 1 38 38 ASN HD21 H 1 7.932 0.0 . 2 . . . . 38 ASN HD21 . 7305 1 279 . 1 1 38 38 ASN HD22 H 1 7.279 0.0 . 2 . . . . 38 ASN HD22 . 7305 1 280 . 1 1 39 39 LYS H H 1 8.509 0.0 . 1 . . . . 39 LYS HN . 7305 1 281 . 1 1 39 39 LYS HA H 1 4.258 0.0 . 1 . . . . 39 LYS HA . 7305 1 282 . 1 1 39 39 LYS HB2 H 1 1.849 0.0 . 2 . . . . 39 LYS HB1 . 7305 1 283 . 1 1 39 39 LYS HB3 H 1 1.786 0.0 . 2 . . . . 39 LYS HB2 . 7305 1 284 . 1 1 39 39 LYS HG2 H 1 1.467 0.0 . 1 . . . . 39 LYS HG1 . 7305 1 285 . 1 1 39 39 LYS HG3 H 1 1.467 0.0 . 1 . . . . 39 LYS HG2 . 7305 1 286 . 1 1 39 39 LYS HD2 H 1 1.723 0.0 . 1 . . . . 39 LYS HD1 . 7305 1 287 . 1 1 39 39 LYS HD3 H 1 1.723 0.0 . 1 . . . . 39 LYS HD2 . 7305 1 288 . 1 1 39 39 LYS HE2 H 1 3.048 0.0 . 1 . . . . 39 LYS HE1 . 7305 1 289 . 1 1 39 39 LYS HE3 H 1 3.048 0.0 . 1 . . . . 39 LYS HE2 . 7305 1 290 . 1 1 40 40 ASP H H 1 8.33 0.0 . 1 . . . . 40 ASP HN . 7305 1 291 . 1 1 40 40 ASP HA H 1 4.576 0.0 . 1 . . . . 40 ASP HA . 7305 1 292 . 1 1 40 40 ASP HB2 H 1 2.712 0.0 . 2 . . . . 40 ASP HB1 . 7305 1 293 . 1 1 40 40 ASP HB3 H 1 2.342 0.0 . 2 . . . . 40 ASP HB2 . 7305 1 294 . 1 1 41 41 TRP H H 1 8.09 0.0 . 1 . . . . 41 TRP HN . 7305 1 295 . 1 1 41 41 TRP HA H 1 5.085 0.0 . 1 . . . . 41 TRP HA . 7305 1 296 . 1 1 41 41 TRP HB2 H 1 2.884 0.0 . 2 . . . . 41 TRP HB1 . 7305 1 297 . 1 1 41 41 TRP HB3 H 1 2.713 0.0 . 2 . . . . 41 TRP HB2 . 7305 1 298 . 1 1 41 41 TRP HD1 H 1 7.05 0.0 . 1 . . . . 41 TRP HD1 . 7305 1 299 . 1 1 41 41 TRP HE1 H 1 10.024 0.0 . 2 . . . . 41 TRP HE1 . 7305 1 300 . 1 1 41 41 TRP HE3 H 1 7.085 0.0 . 3 . . . . 41 TRP HE3 . 7305 1 301 . 1 1 41 41 TRP HZ2 H 1 7.388 0.0 . 3 . . . . 41 TRP HZ2 . 7305 1 302 . 1 1 41 41 TRP HZ3 H 1 6.65 0.0 . 3 . . . . 41 TRP HZ3 . 7305 1 303 . 1 1 41 41 TRP HH2 H 1 7.223 0.0 . 1 . . . . 41 TRP HH2 . 7305 1 304 . 1 1 42 42 TRP H H 1 9.333 0.0 . 1 . . . . 42 TRP HN . 7305 1 305 . 1 1 42 42 TRP HA H 1 5.564 0.0 . 1 . . . . 42 TRP HA . 7305 1 306 . 1 1 42 42 TRP HB2 H 1 3.009 0.0 . 2 . . . . 42 TRP HB1 . 7305 1 307 . 1 1 42 42 TRP HB3 H 1 2.824 0.0 . 2 . . . . 42 TRP HB2 . 7305 1 308 . 1 1 42 42 TRP HD1 H 1 7.56 0.0 . 1 . . . . 42 TRP HD1 . 7305 1 309 . 1 1 42 42 TRP HE1 H 1 9.308 0.0 . 2 . . . . 42 TRP HE1 . 7305 1 310 . 1 1 42 42 TRP HE3 H 1 7.106 0.0 . 3 . . . . 42 TRP HE3 . 7305 1 311 . 1 1 42 42 TRP HZ2 H 1 7.552 0.0 . 3 . . . . 42 TRP HZ2 . 7305 1 312 . 1 1 42 42 TRP HZ3 H 1 6.723 0.0 . 3 . . . . 42 TRP HZ3 . 7305 1 313 . 1 1 42 42 TRP HH2 H 1 7.221 0.0 . 1 . . . . 42 TRP HH2 . 7305 1 314 . 1 1 43 43 LYS H H 1 8.96 0.0 . 1 . . . . 43 LYS HN . 7305 1 315 . 1 1 43 43 LYS HA H 1 4.526 0.0 . 1 . . . . 43 LYS HA . 7305 1 316 . 1 1 43 43 LYS HB2 H 1 1.623 0.0 . 2 . . . . 43 LYS HB1 . 7305 1 317 . 1 1 43 43 LYS HB3 H 1 1.284 0.0 . 2 . . . . 43 LYS HB2 . 7305 1 318 . 1 1 43 43 LYS HG2 H 1 1.064 0.0 . 2 . . . . 43 LYS HG1 . 7305 1 319 . 1 1 43 43 LYS HG3 H 1 0.414 0.0 . 2 . . . . 43 LYS HG2 . 7305 1 320 . 1 1 43 43 LYS HD2 H 1 1.333 0.0 . 1 . . . . 43 LYS HD1 . 7305 1 321 . 1 1 43 43 LYS HD3 H 1 1.333 0.0 . 1 . . . . 43 LYS HD2 . 7305 1 322 . 1 1 43 43 LYS HE2 H 1 2.583 0.0 . 2 . . . . 43 LYS HE1 . 7305 1 323 . 1 1 43 43 LYS HE3 H 1 2.523 0.0 . 2 . . . . 43 LYS HE2 . 7305 1 324 . 1 1 43 43 LYS HZ1 H 1 7.596 0.0 . 1 . . . . 43 LYS HZ1 . 7305 1 325 . 1 1 43 43 LYS HZ2 H 1 7.596 0.0 . 1 . . . . 43 LYS HZ1 . 7305 1 326 . 1 1 43 43 LYS HZ3 H 1 7.596 0.0 . 1 . . . . 43 LYS HZ1 . 7305 1 327 . 1 1 44 44 VAL H H 1 9.382 0.0 . 1 . . . . 44 VAL HN . 7305 1 328 . 1 1 44 44 VAL HA H 1 5.41 0.0 . 1 . . . . 44 VAL HA . 7305 1 329 . 1 1 44 44 VAL HB H 1 2.135 0.0 . 1 . . . . 44 VAL HB . 7305 1 330 . 1 1 44 44 VAL HG11 H 1 0.87 0.0 . 2 . . . . 44 VAL HG11 . 7305 1 331 . 1 1 44 44 VAL HG12 H 1 0.87 0.0 . 2 . . . . 44 VAL HG11 . 7305 1 332 . 1 1 44 44 VAL HG13 H 1 0.87 0.0 . 2 . . . . 44 VAL HG11 . 7305 1 333 . 1 1 44 44 VAL HG21 H 1 0.817 0.0 . 2 . . . . 44 VAL HG21 . 7305 1 334 . 1 1 44 44 VAL HG22 H 1 0.817 0.0 . 2 . . . . 44 VAL HG21 . 7305 1 335 . 1 1 44 44 VAL HG23 H 1 0.817 0.0 . 2 . . . . 44 VAL HG21 . 7305 1 336 . 1 1 45 45 GLU H H 1 8.694 0.0 . 1 . . . . 45 GLU HN . 7305 1 337 . 1 1 45 45 GLU HA H 1 5.454 0.0 . 1 . . . . 45 GLU HA . 7305 1 338 . 1 1 45 45 GLU HB2 H 1 1.957 0.0 . 2 . . . . 45 GLU HB1 . 7305 1 339 . 1 1 45 45 GLU HB3 H 1 1.877 0.0 . 2 . . . . 45 GLU HB2 . 7305 1 340 . 1 1 45 45 GLU HG2 H 1 2.336 0.0 . 2 . . . . 45 GLU HG1 . 7305 1 341 . 1 1 45 45 GLU HG3 H 1 2.25 0.0 . 2 . . . . 45 GLU HG2 . 7305 1 342 . 1 1 46 46 VAL H H 1 8.909 0.0 . 1 . . . . 46 VAL HN . 7305 1 343 . 1 1 46 46 VAL HA H 1 4.504 0.0 . 1 . . . . 46 VAL HA . 7305 1 344 . 1 1 46 46 VAL HB H 1 2.141 0.0 . 1 . . . . 46 VAL HB . 7305 1 345 . 1 1 46 46 VAL HG11 H 1 1.051 0.0 . 4 . . . . 46 VAL HG11 . 7305 1 346 . 1 1 46 46 VAL HG12 H 1 1.051 0.0 . 4 . . . . 46 VAL HG11 . 7305 1 347 . 1 1 46 46 VAL HG13 H 1 1.051 0.0 . 4 . . . . 46 VAL HG11 . 7305 1 348 . 1 1 46 46 VAL HG21 H 1 0.974 0.0 . 2 . . . . 46 VAL HG21 . 7305 1 349 . 1 1 46 46 VAL HG22 H 1 0.974 0.0 . 2 . . . . 46 VAL HG21 . 7305 1 350 . 1 1 46 46 VAL HG23 H 1 0.974 0.0 . 2 . . . . 46 VAL HG21 . 7305 1 351 . 1 1 47 47 ASN H H 1 9.466 0.0 . 1 . . . . 47 ASN HN . 7305 1 352 . 1 1 47 47 ASN HA H 1 4.345 0.0 . 1 . . . . 47 ASN HA . 7305 1 353 . 1 1 47 47 ASN HB2 H 1 3.064 0.0 . 2 . . . . 47 ASN HB1 . 7305 1 354 . 1 1 47 47 ASN HB3 H 1 2.877 0.0 . 2 . . . . 47 ASN HB2 . 7305 1 355 . 1 1 47 47 ASN HD21 H 1 7.639 0.0 . 2 . . . . 47 ASN HD21 . 7305 1 356 . 1 1 47 47 ASN HD22 H 1 7.024 0.0 . 2 . . . . 47 ASN HD22 . 7305 1 357 . 1 1 48 48 ASP H H 1 8.736 0.0 . 1 . . . . 48 ASP HN . 7305 1 358 . 1 1 48 48 ASP HA H 1 4.505 0.0 . 1 . . . . 48 ASP HA . 7305 1 359 . 1 1 48 48 ASP HB2 H 1 3.119 0.0 . 2 . . . . 48 ASP HB1 . 7305 1 360 . 1 1 48 48 ASP HB3 H 1 3.002 0.0 . 2 . . . . 48 ASP HB2 . 7305 1 361 . 1 1 49 49 ARG H H 1 8.181 0.0 . 1 . . . . 49 ARG HN . 7305 1 362 . 1 1 49 49 ARG HA H 1 4.699 0.0 . 1 . . . . 49 ARG HA . 7305 1 363 . 1 1 49 49 ARG HB2 H 1 1.904 0.0 . 1 . . . . 49 ARG HB1 . 7305 1 364 . 1 1 49 49 ARG HB3 H 1 1.904 0.0 . 1 . . . . 49 ARG HB2 . 7305 1 365 . 1 1 49 49 ARG HG2 H 1 1.748 0.0 . 2 . . . . 49 ARG HG1 . 7305 1 366 . 1 1 49 49 ARG HG3 H 1 1.677 0.0 . 2 . . . . 49 ARG HG2 . 7305 1 367 . 1 1 49 49 ARG HD2 H 1 3.313 0.0 . 1 . . . . 49 ARG HD1 . 7305 1 368 . 1 1 49 49 ARG HD3 H 1 3.313 0.0 . 1 . . . . 49 ARG HD2 . 7305 1 369 . 1 1 49 49 ARG HE H 1 7.222 0.0 . 1 . . . . 49 ARG HE . 7305 1 370 . 1 1 50 50 GLN H H 1 8.545 0.0 . 1 . . . . 50 GLN HN . 7305 1 371 . 1 1 50 50 GLN HA H 1 5.559 0.0 . 1 . . . . 50 GLN HA . 7305 1 372 . 1 1 50 50 GLN HB2 H 1 1.862 0.0 . 2 . . . . 50 GLN HB1 . 7305 1 373 . 1 1 50 50 GLN HB3 H 1 1.736 0.0 . 2 . . . . 50 GLN HB2 . 7305 1 374 . 1 1 50 50 GLN HG2 H 1 2.241 0.0 . 2 . . . . 50 GLN HG1 . 7305 1 375 . 1 1 50 50 GLN HG3 H 1 2.122 0.0 . 2 . . . . 50 GLN HG2 . 7305 1 376 . 1 1 50 50 GLN HE21 H 1 7.203 0.0 . 2 . . . . 50 GLN HE21 . 7305 1 377 . 1 1 50 50 GLN HE22 H 1 6.703 0.0 . 2 . . . . 50 GLN HE22 . 7305 1 378 . 1 1 51 51 GLY H H 1 8.63 0.0 . 1 . . . . 51 GLY HN . 7305 1 379 . 1 1 51 51 GLY HA2 H 1 3.916 0.0 . 1 . . . . 51 GLY HA1 . 7305 1 380 . 1 1 51 51 GLY HA3 H 1 3.916 0.0 . 1 . . . . 51 GLY HA2 . 7305 1 381 . 1 1 52 52 PHE H H 1 9.258 0.0 . 1 . . . . 52 PHE HN . 7305 1 382 . 1 1 52 52 PHE HA H 1 5.656 0.0 . 1 . . . . 52 PHE HA . 7305 1 383 . 1 1 52 52 PHE HB2 H 1 3.193 0.0 . 2 . . . . 52 PHE HB1 . 7305 1 384 . 1 1 52 52 PHE HB3 H 1 2.722 0.0 . 2 . . . . 52 PHE HB2 . 7305 1 385 . 1 1 52 52 PHE HD1 H 1 7.166 0.0 . 1 . . . . 52 PHE HD1 . 7305 1 386 . 1 1 52 52 PHE HD2 H 1 7.166 0.0 . 1 . . . . 52 PHE HD2 . 7305 1 387 . 1 1 52 52 PHE HE1 H 1 7.435 0.0 . 1 . . . . 52 PHE HE1 . 7305 1 388 . 1 1 52 52 PHE HE2 H 1 7.435 0.0 . 1 . . . . 52 PHE HE2 . 7305 1 389 . 1 1 52 52 PHE HZ H 1 7.385 0.0 . 1 . . . . 52 PHE HZ . 7305 1 390 . 1 1 53 53 VAL H H 1 9.075 0.0 . 1 . . . . 53 VAL HN . 7305 1 391 . 1 1 53 53 VAL HA H 1 4.795 0.0 . 1 . . . . 53 VAL HA . 7305 1 392 . 1 1 53 53 VAL HB H 1 1.791 0.0 . 1 . . . . 53 VAL HB . 7305 1 393 . 1 1 53 53 VAL HG11 H 1 1.135 0.0 . 2 . . . . 53 VAL HG11 . 7305 1 394 . 1 1 53 53 VAL HG12 H 1 1.135 0.0 . 2 . . . . 53 VAL HG11 . 7305 1 395 . 1 1 53 53 VAL HG13 H 1 1.135 0.0 . 2 . . . . 53 VAL HG11 . 7305 1 396 . 1 1 53 53 VAL HG21 H 1 0.709 0.0 . 2 . . . . 53 VAL HG21 . 7305 1 397 . 1 1 53 53 VAL HG22 H 1 0.709 0.0 . 2 . . . . 53 VAL HG21 . 7305 1 398 . 1 1 53 53 VAL HG23 H 1 0.709 0.0 . 2 . . . . 53 VAL HG21 . 7305 1 399 . 1 1 54 54 PRO HA H 1 3.604 0.0 . 1 . . . . 54 PRO HA . 7305 1 400 . 1 1 54 54 PRO HB2 H 1 0.8 0.0 . 2 . . . . 54 PRO HB1 . 7305 1 401 . 1 1 54 54 PRO HB3 H 1 1.328 0.0 . 2 . . . . 54 PRO HB2 . 7305 1 402 . 1 1 54 54 PRO HG2 H 1 0.674 0.0 . 1 . . . . 54 PRO HG1 . 7305 1 403 . 1 1 54 54 PRO HG3 H 1 0.674 0.0 . 1 . . . . 54 PRO HG2 . 7305 1 404 . 1 1 54 54 PRO HD2 H 1 2.196 0.0 . 2 . . . . 54 PRO HD1 . 7305 1 405 . 1 1 54 54 PRO HD3 H 1 2.472 0.0 . 2 . . . . 54 PRO HD2 . 7305 1 406 . 1 1 55 55 ALA H H 1 7.466 0.0 . 1 . . . . 55 ALA HN . 7305 1 407 . 1 1 55 55 ALA HA H 1 2.691 0.0 . 1 . . . . 55 ALA HA . 7305 1 408 . 1 1 55 55 ALA HB1 H 1 -0.065 0.0 . 1 . . . . 55 ALA HB1 . 7305 1 409 . 1 1 55 55 ALA HB2 H 1 -0.065 0.0 . 1 . . . . 55 ALA HB1 . 7305 1 410 . 1 1 55 55 ALA HB3 H 1 -0.065 0.0 . 1 . . . . 55 ALA HB1 . 7305 1 411 . 1 1 56 56 ALA H H 1 7.827 0.0 . 1 . . . . 56 ALA HN . 7305 1 412 . 1 1 56 56 ALA HA H 1 4.027 0.0 . 1 . . . . 56 ALA HA . 7305 1 413 . 1 1 56 56 ALA HB1 H 1 1.202 0.0 . 1 . . . . 56 ALA HB1 . 7305 1 414 . 1 1 56 56 ALA HB2 H 1 1.202 0.0 . 1 . . . . 56 ALA HB1 . 7305 1 415 . 1 1 56 56 ALA HB3 H 1 1.202 0.0 . 1 . . . . 56 ALA HB1 . 7305 1 416 . 1 1 57 57 TYR H H 1 7.745 0.0 . 1 . . . . 57 TYR HN . 7305 1 417 . 1 1 57 57 TYR HA H 1 4.771 0.0 . 1 . . . . 57 TYR HA . 7305 1 418 . 1 1 57 57 TYR HB2 H 1 3.393 0.0 . 2 . . . . 57 TYR HB1 . 7305 1 419 . 1 1 57 57 TYR HB3 H 1 3.043 0.0 . 2 . . . . 57 TYR HB2 . 7305 1 420 . 1 1 57 57 TYR HD1 H 1 6.738 0.0 . 1 . . . . 57 TYR HD1 . 7305 1 421 . 1 1 57 57 TYR HD2 H 1 6.738 0.0 . 1 . . . . 57 TYR HD2 . 7305 1 422 . 1 1 57 57 TYR HE1 H 1 6.874 0.0 . 1 . . . . 57 TYR HE1 . 7305 1 423 . 1 1 57 57 TYR HE2 H 1 6.874 0.0 . 1 . . . . 57 TYR HE2 . 7305 1 424 . 1 1 58 58 VAL H H 1 7.449 0.0 . 1 . . . . 58 VAL HN . 7305 1 425 . 1 1 58 58 VAL HA H 1 5.545 0.0 . 1 . . . . 58 VAL HA . 7305 1 426 . 1 1 58 58 VAL HB H 1 1.916 0.0 . 1 . . . . 58 VAL HB . 7305 1 427 . 1 1 58 58 VAL HG11 H 1 0.777 0.0 . 2 . . . . 58 VAL HG11 . 7305 1 428 . 1 1 58 58 VAL HG12 H 1 0.777 0.0 . 2 . . . . 58 VAL HG11 . 7305 1 429 . 1 1 58 58 VAL HG13 H 1 0.777 0.0 . 2 . . . . 58 VAL HG11 . 7305 1 430 . 1 1 58 58 VAL HG21 H 1 0.777 0.0 . 2 . . . . 58 VAL HG21 . 7305 1 431 . 1 1 58 58 VAL HG22 H 1 0.777 0.0 . 2 . . . . 58 VAL HG21 . 7305 1 432 . 1 1 58 58 VAL HG23 H 1 0.777 0.0 . 2 . . . . 58 VAL HG21 . 7305 1 433 . 1 1 59 59 LYS H H 1 8.648 0.0 . 1 . . . . 59 LYS HN . 7305 1 434 . 1 1 59 59 LYS HA H 1 4.851 0.0 . 1 . . . . 59 LYS HA . 7305 1 435 . 1 1 59 59 LYS HB2 H 1 1.752 0.0 . 1 . . . . 59 LYS HB1 . 7305 1 436 . 1 1 59 59 LYS HB3 H 1 1.752 0.0 . 1 . . . . 59 LYS HB2 . 7305 1 437 . 1 1 59 59 LYS HG2 H 1 1.463 0.0 . 2 . . . . 59 LYS HG1 . 7305 1 438 . 1 1 59 59 LYS HG3 H 1 1.39 0.0 . 2 . . . . 59 LYS HG2 . 7305 1 439 . 1 1 59 59 LYS HD2 H 1 1.736 0.0 . 1 . . . . 59 LYS HD1 . 7305 1 440 . 1 1 59 59 LYS HD3 H 1 1.736 0.0 . 1 . . . . 59 LYS HD2 . 7305 1 441 . 1 1 59 59 LYS HE2 H 1 2.97 0.0 . 1 . . . . 59 LYS HE1 . 7305 1 442 . 1 1 59 59 LYS HE3 H 1 2.97 0.0 . 1 . . . . 59 LYS HE2 . 7305 1 443 . 1 1 60 60 LYS H H 1 9.257 0.0 . 1 . . . . 60 LYS HN . 7305 1 444 . 1 1 60 60 LYS HA H 1 4.486 0.0 . 1 . . . . 60 LYS HA . 7305 1 445 . 1 1 60 60 LYS HB2 H 1 2.06 0.0 . 2 . . . . 60 LYS HB1 . 7305 1 446 . 1 1 60 60 LYS HB3 H 1 1.857 0.0 . 2 . . . . 60 LYS HB2 . 7305 1 447 . 1 1 60 60 LYS HG2 H 1 1.39 0.0 . 1 . . . . 60 LYS HG1 . 7305 1 448 . 1 1 60 60 LYS HG3 H 1 1.39 0.0 . 1 . . . . 60 LYS HG2 . 7305 1 449 . 1 1 60 60 LYS HD2 H 1 1.752 0.0 . 2 . . . . 60 LYS HD1 . 7305 1 450 . 1 1 60 60 LYS HD3 H 1 1.676 0.0 . 2 . . . . 60 LYS HD2 . 7305 1 451 . 1 1 60 60 LYS HE2 H 1 2.836 0.0 . 2 . . . . 60 LYS HE1 . 7305 1 452 . 1 1 60 60 LYS HE3 H 1 2.715 0.0 . 2 . . . . 60 LYS HE2 . 7305 1 453 . 1 1 61 61 LEU H H 1 8.513 0.0 . 1 . . . . 61 LEU HN . 7305 1 454 . 1 1 61 61 LEU HA H 1 4.464 0.0 . 1 . . . . 61 LEU HA . 7305 1 455 . 1 1 61 61 LEU HB2 H 1 1.562 0.0 . 1 . . . . 61 LEU HB1 . 7305 1 456 . 1 1 61 61 LEU HB3 H 1 1.562 0.0 . 1 . . . . 61 LEU HB2 . 7305 1 457 . 1 1 61 61 LEU HG H 1 1.648 0.0 . 1 . . . . 61 LEU HG . 7305 1 458 . 1 1 61 61 LEU HD11 H 1 0.885 0.0 . 2 . . . . 61 LEU HD11 . 7305 1 459 . 1 1 61 61 LEU HD12 H 1 0.885 0.0 . 2 . . . . 61 LEU HD11 . 7305 1 460 . 1 1 61 61 LEU HD13 H 1 0.885 0.0 . 2 . . . . 61 LEU HD11 . 7305 1 461 . 1 1 61 61 LEU HD21 H 1 0.885 0.0 . 2 . . . . 61 LEU HD21 . 7305 1 462 . 1 1 61 61 LEU HD22 H 1 0.885 0.0 . 2 . . . . 61 LEU HD21 . 7305 1 463 . 1 1 61 61 LEU HD23 H 1 0.885 0.0 . 2 . . . . 61 LEU HD21 . 7305 1 464 . 1 1 62 62 ASP H H 1 8.078 0.0 . 1 . . . . 62 ASP HN . 7305 1 465 . 1 1 62 62 ASP HA H 1 4.536 0.0 . 1 . . . . 62 ASP HA . 7305 1 466 . 1 1 62 62 ASP HB2 H 1 2.983 0.0 . 1 . . . . 62 ASP HB1 . 7305 1 467 . 1 1 62 62 ASP HB3 H 1 2.983 0.0 . 1 . . . . 62 ASP HB2 . 7305 1 stop_ save_