data_4272 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4272 _Entry.Title ; 1H, 15N, 13C Resonance Assignments of SynaptobrevinII ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-01 _Entry.Accession_date 1998-12-01 _Entry.Last_release_date 1999-10-26 _Entry.Original_release_date 1999-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Hazzard . W . 4272 2 Thomas Sudhof . C . 4272 3 Josep Rizo . . . 4272 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4272 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 397 4272 '13C chemical shifts' 351 4272 '15N chemical shifts' 86 4272 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 . . 1999-10-26 1998-12-01 original author . 4272 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4272 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99410887 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hazzard, J., Sudhof, T. C., and Rizo, J., "NMR analysis of the structure of synaptobrevin and of its interaction with syntaxin," J. Biomol. NMR, 14, 203-207 (1999). ; _Citation.Title ; NMR analysis of the structure of synaptobrevin and of its interaction with syntaxin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomoelcular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue . _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 203 _Citation.Page_last 207 _Citation.Year 1999 _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 James Hazzard . . . 4272 1 2 Thomas Sudhof . C . 4272 1 3 Josep Rizo . . . 4272 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID synaptobrevin 4272 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_synaptobrevinII _Assembly.Sf_category assembly _Assembly.Sf_framecode system_synaptobrevinII _Assembly.Entry_ID 4272 _Assembly.ID 1 _Assembly.Name 'synaptobrevinII cytoplasmic domain residues 1-96' _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 '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 monomer 4272 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 synaptobrevinII 1 $synaptobrevinII . . . native . . . . . 4272 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SFC . 'A Chain A, Neuronal Synaptic Fusion Complex' . . . . 4272 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'synaptobrevinII cytoplasmic domain residues 1-96' system 4272 1 synaptobrevinII abbreviation 4272 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Member of the fusion core-complex for synaptoc vesicle exocytosis.' 4272 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_synaptobrevinII _Entity.Sf_category entity _Entity.Sf_framecode synaptobrevinII _Entity.Entry_ID 4272 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name synaptobrevinII _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 ; MSATAATAPPAAPAGEGGPP APPPNLTSNRRLQQTQAQVD EVVDIMRVNVDKVLERDQKL SELDDRADALQAGASQFETS AAKLKRKYWWKNLKMM ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 16508 . synaptobrevin . . . . . 100.00 116 98.96 98.96 1.43e-61 . . . . 4272 1 2 no BMRB 16514 . syb96 . . . . . 100.00 96 98.96 98.96 6.81e-61 . . . . 4272 1 3 no PDB 1KIL . "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" . . . . . 67.71 66 100.00 100.00 9.28e-38 . . . . 4272 1 4 no PDB 1N7S . "High Resolution Structure Of A Truncated Neuronal Snare Complex" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 5 no PDB 1SFC . "Neuronal Synaptic Fusion Complex" . . . . . 100.00 96 98.96 98.96 6.81e-61 . . . . 4272 1 6 no PDB 2KOG . "Lipid-Bound Synaptobrevin Solution Nmr Structure" . . . . . 100.00 119 98.96 98.96 1.47e-61 . . . . 4272 1 7 no PDB 2N1T . "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" . . . . . 71.88 69 100.00 100.00 6.22e-41 . . . . 4272 1 8 no PDB 3HD7 . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" . . . . . 69.79 91 100.00 100.00 5.72e-40 . . . . 4272 1 9 no PDB 3IPD . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" . . . . . 69.79 91 100.00 100.00 5.72e-40 . . . . 4272 1 10 no PDB 3J96 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state I)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 11 no PDB 3J97 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Ii)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 12 no PDB 3J98 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiia)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 13 no PDB 3J99 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiib)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 14 no PDB 5CCG . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (long Unit Cell Form)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 15 no PDB 5CCH . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 16 no PDB 5CCI . "Structure Of The Mg2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 64.58 63 100.00 100.00 7.76e-35 . . . . 4272 1 17 no DBJ BAC41125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 116 98.96 98.96 1.43e-61 . . . . 4272 1 18 no DBJ BAE90084 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 116 100.00 100.00 5.99e-62 . . . . 4272 1 19 no DBJ BAF82244 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 116 100.00 100.00 5.99e-62 . . . . 4272 1 20 no DBJ BAG73857 . "vesicle-associated membrane protein 2 [synthetic construct]" . . . . . 98.96 118 100.00 100.00 5.34e-61 . . . . 4272 1 21 no EMBL CAA12385 . "vesicle associated membrane protein 2 [Homo sapiens]" . . . . . 100.00 116 100.00 100.00 5.61e-62 . . . . 4272 1 22 no EMBL CAA53792 . "synaptobrevin [Bos taurus]" . . . . . 100.00 116 100.00 100.00 5.61e-62 . . . . 4272 1 23 no EMBL CAB43509 . "vesicle associated membrane protein 2B [Rattus norvegicus]" . . . . . 100.00 135 98.96 98.96 1.46e-60 . . . . 4272 1 24 no EMBL CDQ77958 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 75.00 124 97.22 97.22 2.42e-41 . . . . 4272 1 25 no GB AAA42321 . "vesicle associated membrane protein VAMP-2 [Rattus norvegicus]" . . . . . 100.00 116 98.96 98.96 1.43e-61 . . . . 4272 1 26 no GB AAA60604 . "synaptobrevin 2 (SYB2) [Homo sapiens]" . . . . . 100.00 116 100.00 100.00 5.61e-62 . . . . 4272 1 27 no GB AAB03463 . "VAMP-2 [Mus musculus]" . . . . . 100.00 116 98.96 98.96 1.43e-61 . . . . 4272 1 28 no GB AAB62931 . "vesicle associated membrane protein 2 [Mus musculus]" . . . . . 100.00 116 98.96 98.96 1.63e-61 . . . . 4272 1 29 no GB AAB88138 . "synaptobrevin [Xenopus laevis]" . . . . . 77.08 114 97.30 98.65 1.07e-43 . . . . 4272 1 30 no REF NP_001027992 . "vesicle-associated membrane protein 2 [Macaca mulatta]" . . . . . 100.00 116 100.00 100.00 5.99e-62 . . . . 4272 1 31 no REF NP_001034578 . "vesicle-associated membrane protein 3 [Gallus gallus]" . . . . . 70.83 104 97.06 97.06 9.60e-39 . . . . 4272 1 32 no REF NP_001080944 . "vesicle-associated membrane protein 2 [Xenopus laevis]" . . . . . 77.08 114 97.30 98.65 1.07e-43 . . . . 4272 1 33 no REF NP_001088233 . "vesicle-associated membrane protein 1 (synaptobrevin 1) [Xenopus laevis]" . . . . . 69.79 101 98.51 98.51 1.30e-38 . . . . 4272 1 34 no REF NP_001272142 . "uncharacterized protein LOC101864935 [Macaca fascicularis]" . . . . . 100.00 116 100.00 100.00 5.99e-62 . . . . 4272 1 35 no SP P47193 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=SYBII; AltName: Full=Synaptobrevin-2" . . . . . 77.08 114 97.30 98.65 1.07e-43 . . . . 4272 1 36 no SP P63026 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 5.61e-62 . . . . 4272 1 37 no SP P63027 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 5.99e-62 . . . . 4272 1 38 no SP P63044 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 98.96 98.96 1.43e-61 . . . . 4272 1 39 no SP P63045 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 98.96 98.96 1.43e-61 . . . . 4272 1 40 no TPG DAA18807 . "TPA: vesicle-associated membrane protein 2 [Bos taurus]" . . . . . 100.00 116 100.00 100.00 5.61e-62 . . . . 4272 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID synaptobrevinII common 4272 1 vamp abbreviation 4272 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 . 4272 1 2 . SER . 4272 1 3 . ALA . 4272 1 4 . THR . 4272 1 5 . ALA . 4272 1 6 . ALA . 4272 1 7 . THR . 4272 1 8 . ALA . 4272 1 9 . PRO . 4272 1 10 . PRO . 4272 1 11 . ALA . 4272 1 12 . ALA . 4272 1 13 . PRO . 4272 1 14 . ALA . 4272 1 15 . GLY . 4272 1 16 . GLU . 4272 1 17 . GLY . 4272 1 18 . GLY . 4272 1 19 . PRO . 4272 1 20 . PRO . 4272 1 21 . ALA . 4272 1 22 . PRO . 4272 1 23 . PRO . 4272 1 24 . PRO . 4272 1 25 . ASN . 4272 1 26 . LEU . 4272 1 27 . THR . 4272 1 28 . SER . 4272 1 29 . ASN . 4272 1 30 . ARG . 4272 1 31 . ARG . 4272 1 32 . LEU . 4272 1 33 . GLN . 4272 1 34 . GLN . 4272 1 35 . THR . 4272 1 36 . GLN . 4272 1 37 . ALA . 4272 1 38 . GLN . 4272 1 39 . VAL . 4272 1 40 . ASP . 4272 1 41 . GLU . 4272 1 42 . VAL . 4272 1 43 . VAL . 4272 1 44 . ASP . 4272 1 45 . ILE . 4272 1 46 . MET . 4272 1 47 . ARG . 4272 1 48 . VAL . 4272 1 49 . ASN . 4272 1 50 . VAL . 4272 1 51 . ASP . 4272 1 52 . LYS . 4272 1 53 . VAL . 4272 1 54 . LEU . 4272 1 55 . GLU . 4272 1 56 . ARG . 4272 1 57 . ASP . 4272 1 58 . GLN . 4272 1 59 . LYS . 4272 1 60 . LEU . 4272 1 61 . SER . 4272 1 62 . GLU . 4272 1 63 . LEU . 4272 1 64 . ASP . 4272 1 65 . ASP . 4272 1 66 . ARG . 4272 1 67 . ALA . 4272 1 68 . ASP . 4272 1 69 . ALA . 4272 1 70 . LEU . 4272 1 71 . GLN . 4272 1 72 . ALA . 4272 1 73 . GLY . 4272 1 74 . ALA . 4272 1 75 . SER . 4272 1 76 . GLN . 4272 1 77 . PHE . 4272 1 78 . GLU . 4272 1 79 . THR . 4272 1 80 . SER . 4272 1 81 . ALA . 4272 1 82 . ALA . 4272 1 83 . LYS . 4272 1 84 . LEU . 4272 1 85 . LYS . 4272 1 86 . ARG . 4272 1 87 . LYS . 4272 1 88 . TYR . 4272 1 89 . TRP . 4272 1 90 . TRP . 4272 1 91 . LYS . 4272 1 92 . ASN . 4272 1 93 . LEU . 4272 1 94 . LYS . 4272 1 95 . MET . 4272 1 96 . MET . 4272 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 4272 1 . SER 2 2 4272 1 . ALA 3 3 4272 1 . THR 4 4 4272 1 . ALA 5 5 4272 1 . ALA 6 6 4272 1 . THR 7 7 4272 1 . ALA 8 8 4272 1 . PRO 9 9 4272 1 . PRO 10 10 4272 1 . ALA 11 11 4272 1 . ALA 12 12 4272 1 . PRO 13 13 4272 1 . ALA 14 14 4272 1 . GLY 15 15 4272 1 . GLU 16 16 4272 1 . GLY 17 17 4272 1 . GLY 18 18 4272 1 . PRO 19 19 4272 1 . PRO 20 20 4272 1 . ALA 21 21 4272 1 . PRO 22 22 4272 1 . PRO 23 23 4272 1 . PRO 24 24 4272 1 . ASN 25 25 4272 1 . LEU 26 26 4272 1 . THR 27 27 4272 1 . SER 28 28 4272 1 . ASN 29 29 4272 1 . ARG 30 30 4272 1 . ARG 31 31 4272 1 . LEU 32 32 4272 1 . GLN 33 33 4272 1 . GLN 34 34 4272 1 . THR 35 35 4272 1 . GLN 36 36 4272 1 . ALA 37 37 4272 1 . GLN 38 38 4272 1 . VAL 39 39 4272 1 . ASP 40 40 4272 1 . GLU 41 41 4272 1 . VAL 42 42 4272 1 . VAL 43 43 4272 1 . ASP 44 44 4272 1 . ILE 45 45 4272 1 . MET 46 46 4272 1 . ARG 47 47 4272 1 . VAL 48 48 4272 1 . ASN 49 49 4272 1 . VAL 50 50 4272 1 . ASP 51 51 4272 1 . LYS 52 52 4272 1 . VAL 53 53 4272 1 . LEU 54 54 4272 1 . GLU 55 55 4272 1 . ARG 56 56 4272 1 . ASP 57 57 4272 1 . GLN 58 58 4272 1 . LYS 59 59 4272 1 . LEU 60 60 4272 1 . SER 61 61 4272 1 . GLU 62 62 4272 1 . LEU 63 63 4272 1 . ASP 64 64 4272 1 . ASP 65 65 4272 1 . ARG 66 66 4272 1 . ALA 67 67 4272 1 . ASP 68 68 4272 1 . ALA 69 69 4272 1 . LEU 70 70 4272 1 . GLN 71 71 4272 1 . ALA 72 72 4272 1 . GLY 73 73 4272 1 . ALA 74 74 4272 1 . SER 75 75 4272 1 . GLN 76 76 4272 1 . PHE 77 77 4272 1 . GLU 78 78 4272 1 . THR 79 79 4272 1 . SER 80 80 4272 1 . ALA 81 81 4272 1 . ALA 82 82 4272 1 . LYS 83 83 4272 1 . LEU 84 84 4272 1 . LYS 85 85 4272 1 . ARG 86 86 4272 1 . LYS 87 87 4272 1 . TYR 88 88 4272 1 . TRP 89 89 4272 1 . TRP 90 90 4272 1 . LYS 91 91 4272 1 . ASN 92 92 4272 1 . LEU 93 93 4272 1 . LYS 94 94 4272 1 . MET 95 95 4272 1 . MET 96 96 4272 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 4272 _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 $synaptobrevinII . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . brain neuron . . . . . . . . . . . . . . . . 4272 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 4272 _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 $synaptobrevinII . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pGEX-KG . . . 'expressed as GST fusion protein' . . 4272 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4272 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'shigemi tube' _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 synaptobrevinII '[U-13C; U-15N]' . . 1 $synaptobrevinII . . 0.45 0.4 0.5 mM . . . . 4272 1 2 Phosphate . . . . . . . 60 . . mM . . . . 4272 1 3 EDTA . . . . . . . 0.5 . . mM . . . . 4272 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4272 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 0.45mM synaptobrevin 60mM Phosphate pH6.1 25C 0.5mM EDTA ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 0.1 na 4272 1 temperature 298 0.5 K 4272 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4272 _Software.ID 1 _Software.Name Felix _Software.Version 1.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing all data' 4272 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4272 _Software.ID 2 _Software.Name NmrView _Software.Version 3.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak analysis and assignment' 4272 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4272 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 4272 _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_one Varian Unity . 500 . . . 4272 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 4272 _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 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 1 2 NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 1 3 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 1 6 (H)CBCACO(CA)HA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 1 7 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4272 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 4272 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4272 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4272 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY-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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4272 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4272 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4272 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name (H)CBCACO(CA)HA _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 4272 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4272 _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 external direct 1.0 . . . . . . . . . 4272 1 C 13 DSS 'methyl carbons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 4272 1 N 15 Nitromethane nitrogen . . . . ppm -379.6 external direct 1.0 . . . . . . . . . 4272 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4272 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4272 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 4.42 0.03 . 1 . . . . . . . . 4272 1 2 . 1 1 1 1 MET C C 13 176.15 0.23 . 1 . . . . . . . . 4272 1 3 . 1 1 1 1 MET CA C 13 55.42 0.23 . 1 . . . . . . . . 4272 1 4 . 1 1 1 1 MET CB C 13 31.89 0.23 . 1 . . . . . . . . 4272 1 5 . 1 1 2 2 SER H H 1 8.28 0.03 . 1 . . . . . . . . 4272 1 6 . 1 1 2 2 SER HA H 1 4.40 0.03 . 1 . . . . . . . . 4272 1 7 . 1 1 2 2 SER HB2 H 1 3.84 0.03 . 2 . . . . . . . . 4272 1 8 . 1 1 2 2 SER C C 13 174.29 0.23 . 1 . . . . . . . . 4272 1 9 . 1 1 2 2 SER CA C 13 58.06 0.23 . 1 . . . . . . . . 4272 1 10 . 1 1 2 2 SER CB C 13 63.38 0.23 . 1 . . . . . . . . 4272 1 11 . 1 1 2 2 SER N N 15 116.88 0.16 . 1 . . . . . . . . 4272 1 12 . 1 1 3 3 ALA H H 1 8.35 0.03 . 1 . . . . . . . . 4272 1 13 . 1 1 3 3 ALA HA H 1 4.34 0.03 . 1 . . . . . . . . 4272 1 14 . 1 1 3 3 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 4272 1 15 . 1 1 3 3 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4272 1 16 . 1 1 3 3 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 4272 1 17 . 1 1 3 3 ALA C C 13 177.90 0.23 . 1 . . . . . . . . 4272 1 18 . 1 1 3 3 ALA CA C 13 52.50 0.23 . 1 . . . . . . . . 4272 1 19 . 1 1 3 3 ALA CB C 13 19.14 0.23 . 1 . . . . . . . . 4272 1 20 . 1 1 3 3 ALA N N 15 126.015 0.16 . 1 . . . . . . . . 4272 1 21 . 1 1 4 4 THR H H 1 8.02 0.03 . 1 . . . . . . . . 4272 1 22 . 1 1 4 4 THR HA H 1 4.25 0.03 . 1 . . . . . . . . 4272 1 23 . 1 1 4 4 THR HB H 1 4.14 0.03 . 1 . . . . . . . . 4272 1 24 . 1 1 4 4 THR HG21 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 25 . 1 1 4 4 THR HG22 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 26 . 1 1 4 4 THR HG23 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 27 . 1 1 4 4 THR C C 13 174.27 0.23 . 1 . . . . . . . . 4272 1 28 . 1 1 4 4 THR CA C 13 61.45 0.23 . 1 . . . . . . . . 4272 1 29 . 1 1 4 4 THR CB C 13 69.44 0.23 . 1 . . . . . . . . 4272 1 30 . 1 1 4 4 THR CG2 C 13 21.59 0.23 . 1 . . . . . . . . 4272 1 31 . 1 1 4 4 THR N N 15 112.721 0.16 . 1 . . . . . . . . 4272 1 32 . 1 1 5 5 ALA H H 1 8.15 0.03 . 1 . . . . . . . . 4272 1 33 . 1 1 5 5 ALA HA H 1 4.27 0.03 . 1 . . . . . . . . 4272 1 34 . 1 1 5 5 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 35 . 1 1 5 5 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 36 . 1 1 5 5 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 37 . 1 1 5 5 ALA C C 13 177.31 0.23 . 1 . . . . . . . . 4272 1 38 . 1 1 5 5 ALA CA C 13 52.25 0.23 . 1 . . . . . . . . 4272 1 39 . 1 1 5 5 ALA CB C 13 19.13 0.23 . 1 . . . . . . . . 4272 1 40 . 1 1 5 5 ALA N N 15 126.304 0.16 . 1 . . . . . . . . 4272 1 41 . 1 1 6 6 ALA H H 1 8.21 0.03 . 1 . . . . . . . . 4272 1 42 . 1 1 6 6 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 4272 1 43 . 1 1 6 6 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 44 . 1 1 6 6 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 45 . 1 1 6 6 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 46 . 1 1 6 6 ALA C C 13 177.76 0.23 . 1 . . . . . . . . 4272 1 47 . 1 1 6 6 ALA CA C 13 52.29 0.23 . 1 . . . . . . . . 4272 1 48 . 1 1 6 6 ALA CB C 13 19.13 0.23 . 1 . . . . . . . . 4272 1 49 . 1 1 6 6 ALA N N 15 123.135 0.16 . 1 . . . . . . . . 4272 1 50 . 1 1 7 7 THR H H 1 7.98 0.03 . 1 . . . . . . . . 4272 1 51 . 1 1 7 7 THR HA H 1 4.25 0.03 . 1 . . . . . . . . 4272 1 52 . 1 1 7 7 THR HB H 1 4.14 0.03 . 1 . . . . . . . . 4272 1 53 . 1 1 7 7 THR HG21 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 54 . 1 1 7 7 THR HG22 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 55 . 1 1 7 7 THR HG23 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 56 . 1 1 7 7 THR C C 13 173.78 0.23 . 1 . . . . . . . . 4272 1 57 . 1 1 7 7 THR CA C 13 61.24 0.23 . 1 . . . . . . . . 4272 1 58 . 1 1 7 7 THR CB C 13 69.56 0.23 . 1 . . . . . . . . 4272 1 59 . 1 1 7 7 THR CG2 C 13 21.59 0.23 . 1 . . . . . . . . 4272 1 60 . 1 1 7 7 THR N N 15 113.003 0.16 . 1 . . . . . . . . 4272 1 61 . 1 1 8 8 ALA H H 1 8.17 0.03 . 1 . . . . . . . . 4272 1 62 . 1 1 8 8 ALA HA H 1 4.57 0.03 . 1 . . . . . . . . 4272 1 63 . 1 1 8 8 ALA HB1 H 1 1.31 0.03 . 1 . . . . . . . . 4272 1 64 . 1 1 8 8 ALA HB2 H 1 1.31 0.03 . 1 . . . . . . . . 4272 1 65 . 1 1 8 8 ALA HB3 H 1 1.31 0.03 . 1 . . . . . . . . 4272 1 66 . 1 1 8 8 ALA CA C 13 50.15 0.23 . 1 . . . . . . . . 4272 1 67 . 1 1 8 8 ALA CB C 13 18.14 0.23 . 1 . . . . . . . . 4272 1 68 . 1 1 8 8 ALA N N 15 127.85 0.16 . 1 . . . . . . . . 4272 1 69 . 1 1 10 10 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 4272 1 70 . 1 1 10 10 PRO HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4272 1 71 . 1 1 10 10 PRO HG2 H 1 1.84 0.03 . 2 . . . . . . . . 4272 1 72 . 1 1 10 10 PRO C C 13 176.38 0.23 . 1 . . . . . . . . 4272 1 73 . 1 1 10 10 PRO CA C 13 62.52 0.23 . 1 . . . . . . . . 4272 1 74 . 1 1 10 10 PRO CB C 13 32.01 0.23 . 1 . . . . . . . . 4272 1 75 . 1 1 10 10 PRO CG C 13 27.31 0.23 . 1 . . . . . . . . 4272 1 76 . 1 1 10 10 PRO CD C 13 50.23 0.23 . 1 . . . . . . . . 4272 1 77 . 1 1 11 11 ALA H H 1 8.27 0.03 . 1 . . . . . . . . 4272 1 78 . 1 1 11 11 ALA HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 79 . 1 1 11 11 ALA HB1 H 1 1.32 0.03 . 1 . . . . . . . . 4272 1 80 . 1 1 11 11 ALA HB2 H 1 1.32 0.03 . 1 . . . . . . . . 4272 1 81 . 1 1 11 11 ALA HB3 H 1 1.32 0.03 . 1 . . . . . . . . 4272 1 82 . 1 1 11 11 ALA C C 13 176.95 0.23 . 1 . . . . . . . . 4272 1 83 . 1 1 11 11 ALA CA C 13 51.71 0.23 . 1 . . . . . . . . 4272 1 84 . 1 1 11 11 ALA CB C 13 19.24 0.23 . 1 . . . . . . . . 4272 1 85 . 1 1 11 11 ALA N N 15 124.28 0.16 . 1 . . . . . . . . 4272 1 86 . 1 1 12 12 ALA H H 1 8.22 0.03 . 1 . . . . . . . . 4272 1 87 . 1 1 12 12 ALA HA H 1 4.54 0.03 . 1 . . . . . . . . 4272 1 88 . 1 1 12 12 ALA HB1 H 1 1.29 0.03 . 1 . . . . . . . . 4272 1 89 . 1 1 12 12 ALA HB2 H 1 1.29 0.03 . 1 . . . . . . . . 4272 1 90 . 1 1 12 12 ALA HB3 H 1 1.29 0.03 . 1 . . . . . . . . 4272 1 91 . 1 1 12 12 ALA CA C 13 49.95 0.23 . 1 . . . . . . . . 4272 1 92 . 1 1 12 12 ALA CB C 13 18.21 0.23 . 1 . . . . . . . . 4272 1 93 . 1 1 12 12 ALA N N 15 124.69 0.16 . 1 . . . . . . . . 4272 1 94 . 1 1 13 13 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 4272 1 95 . 1 1 13 13 PRO HG2 H 1 1.85 0.03 . 2 . . . . . . . . 4272 1 96 . 1 1 13 13 PRO C C 13 176.62 0.23 . 1 . . . . . . . . 4272 1 97 . 1 1 13 13 PRO CA C 13 62.77 0.23 . 1 . . . . . . . . 4272 1 98 . 1 1 13 13 PRO CB C 13 32.04 0.23 . 1 . . . . . . . . 4272 1 99 . 1 1 13 13 PRO CG C 13 27.37 0.23 . 1 . . . . . . . . 4272 1 100 . 1 1 13 13 PRO CD C 13 50.28 0.23 . 1 . . . . . . . . 4272 1 101 . 1 1 14 14 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 4272 1 102 . 1 1 14 14 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . 4272 1 103 . 1 1 14 14 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 104 . 1 1 14 14 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 105 . 1 1 14 14 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 106 . 1 1 14 14 ALA C C 13 178.24 0.23 . 1 . . . . . . . . 4272 1 107 . 1 1 14 14 ALA CA C 13 52.30 0.23 . 1 . . . . . . . . 4272 1 108 . 1 1 14 14 ALA CB C 13 19.12 0.23 . 1 . . . . . . . . 4272 1 109 . 1 1 14 14 ALA N N 15 124.50 0.16 . 1 . . . . . . . . 4272 1 110 . 1 1 15 15 GLY H H 1 8.30 0.03 . 1 . . . . . . . . 4272 1 111 . 1 1 15 15 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . 4272 1 112 . 1 1 15 15 GLY C C 13 174.9 0.23 . 1 . . . . . . . . 4272 1 113 . 1 1 15 15 GLY CA C 13 45.01 0.23 . 1 . . . . . . . . 4272 1 114 . 1 1 15 15 GLY N N 15 108.14 0.16 . 1 . . . . . . . . 4272 1 115 . 1 1 16 16 GLU H H 1 8.26 0.03 . 1 . . . . . . . . 4272 1 116 . 1 1 16 16 GLU HA H 1 4.28 0.03 . 1 . . . . . . . . 4272 1 117 . 1 1 16 16 GLU HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4272 1 118 . 1 1 16 16 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4272 1 119 . 1 1 16 16 GLU HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4272 1 120 . 1 1 16 16 GLU C C 13 176.94 0.23 . 1 . . . . . . . . 4272 1 121 . 1 1 16 16 GLU CA C 13 56.23 0.23 . 1 . . . . . . . . 4272 1 122 . 1 1 16 16 GLU CB C 13 30.13 0.23 . 1 . . . . . . . . 4272 1 123 . 1 1 16 16 GLU CG C 13 36.07 0.23 . 1 . . . . . . . . 4272 1 124 . 1 1 16 16 GLU N N 15 120.559 0.16 . 1 . . . . . . . . 4272 1 125 . 1 1 17 17 GLY H H 1 8.47 0.03 . 1 . . . . . . . . 4272 1 126 . 1 1 17 17 GLY HA2 H 1 3.94 0.03 . 2 . . . . . . . . 4272 1 127 . 1 1 17 17 GLY C C 13 174.23 0.23 . 1 . . . . . . . . 4272 1 128 . 1 1 17 17 GLY CA C 13 44.95 0.23 . 1 . . . . . . . . 4272 1 129 . 1 1 17 17 GLY N N 15 109.941 0.16 . 1 . . . . . . . . 4272 1 130 . 1 1 18 18 GLY H H 1 8.04 0.03 . 1 . . . . . . . . 4272 1 131 . 1 1 18 18 GLY HA2 H 1 4.12 0.03 . 2 . . . . . . . . 4272 1 132 . 1 1 18 18 GLY HA3 H 1 3.99 0.03 . 2 . . . . . . . . 4272 1 133 . 1 1 18 18 GLY CA C 13 44.10 0.23 . 1 . . . . . . . . 4272 1 134 . 1 1 18 18 GLY N N 15 108.753 0.16 . 1 . . . . . . . . 4272 1 135 . 1 1 20 20 PRO HA H 1 4.36 0.03 . 1 . . . . . . . . 4272 1 136 . 1 1 20 20 PRO HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4272 1 137 . 1 1 20 20 PRO HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4272 1 138 . 1 1 20 20 PRO HG2 H 1 1.83 0.03 . 2 . . . . . . . . 4272 1 139 . 1 1 20 20 PRO C C 13 176.18 0.23 . 1 . . . . . . . . 4272 1 140 . 1 1 20 20 PRO CA C 13 62.57 0.23 . 1 . . . . . . . . 4272 1 141 . 1 1 20 20 PRO CB C 13 31.91 0.23 . 1 . . . . . . . . 4272 1 142 . 1 1 20 20 PRO CG C 13 27.23 0.23 . 1 . . . . . . . . 4272 1 143 . 1 1 20 20 PRO CD C 13 50.19 0.23 . 1 . . . . . . . . 4272 1 144 . 1 1 21 21 ALA H H 1 8.29 0.03 . 1 . . . . . . . . 4272 1 145 . 1 1 21 21 ALA HA H 1 4.53 0.03 . 1 . . . . . . . . 4272 1 146 . 1 1 21 21 ALA HB1 H 1 1.29 0.03 . 1 . . . . . . . . 4272 1 147 . 1 1 21 21 ALA HB2 H 1 1.29 0.03 . 1 . . . . . . . . 4272 1 148 . 1 1 21 21 ALA HB3 H 1 1.29 0.03 . 1 . . . . . . . . 4272 1 149 . 1 1 21 21 ALA CA C 13 49.90 0.23 . 1 . . . . . . . . 4272 1 150 . 1 1 21 21 ALA CB C 13 17.97 0.23 . 1 . . . . . . . . 4272 1 151 . 1 1 21 21 ALA N N 15 125.447 0.16 . 1 . . . . . . . . 4272 1 152 . 1 1 24 24 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 4272 1 153 . 1 1 24 24 PRO HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4272 1 154 . 1 1 24 24 PRO HG2 H 1 1.83 0.03 . 2 . . . . . . . . 4272 1 155 . 1 1 24 24 PRO C C 13 176.47 0.23 . 1 . . . . . . . . 4272 1 156 . 1 1 24 24 PRO CA C 13 62.99 0.23 . 1 . . . . . . . . 4272 1 157 . 1 1 24 24 PRO CB C 13 32.03 0.23 . 1 . . . . . . . . 4272 1 158 . 1 1 24 24 PRO CG C 13 27.31 0.23 . 1 . . . . . . . . 4272 1 159 . 1 1 24 24 PRO CD C 13 50.28 0.23 . 1 . . . . . . . . 4272 1 160 . 1 1 25 25 ASN H H 1 8.40 0.03 . 1 . . . . . . . . 4272 1 161 . 1 1 25 25 ASN HA H 1 4.63 0.03 . 1 . . . . . . . . 4272 1 162 . 1 1 25 25 ASN HB2 H 1 2.78 0.03 . 2 . . . . . . . . 4272 1 163 . 1 1 25 25 ASN HB3 H 1 2.73 0.03 . 2 . . . . . . . . 4272 1 164 . 1 1 25 25 ASN C C 13 175.18 0.23 . 1 . . . . . . . . 4272 1 165 . 1 1 25 25 ASN CA C 13 52.86 0.23 . 1 . . . . . . . . 4272 1 166 . 1 1 25 25 ASN CB C 13 38.30 0.23 . 1 . . . . . . . . 4272 1 167 . 1 1 25 25 ASN N N 15 117.892 0.16 . 1 . . . . . . . . 4272 1 168 . 1 1 26 26 LEU H H 1 8.21 0.03 . 1 . . . . . . . . 4272 1 169 . 1 1 26 26 LEU HA H 1 4.38 0.03 . 1 . . . . . . . . 4272 1 170 . 1 1 26 26 LEU HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4272 1 171 . 1 1 26 26 LEU HD11 H 1 0.88 0.03 . 4 . . . . . . . . 4272 1 172 . 1 1 26 26 LEU HD12 H 1 0.88 0.03 . 4 . . . . . . . . 4272 1 173 . 1 1 26 26 LEU HD13 H 1 0.88 0.03 . 4 . . . . . . . . 4272 1 174 . 1 1 26 26 LEU C C 13 177.60 0.23 . 1 . . . . . . . . 4272 1 175 . 1 1 26 26 LEU CA C 13 55.16 0.23 . 1 . . . . . . . . 4272 1 176 . 1 1 26 26 LEU CB C 13 42.04 0.23 . 1 . . . . . . . . 4272 1 177 . 1 1 26 26 LEU CG C 13 26.89 0.23 . 2 . . . . . . . . 4272 1 178 . 1 1 26 26 LEU CD1 C 13 24.99 0.23 . 2 . . . . . . . . 4272 1 179 . 1 1 26 26 LEU CD2 C 13 23.30 0.23 . 2 . . . . . . . . 4272 1 180 . 1 1 26 26 LEU N N 15 122.717 0.16 . 1 . . . . . . . . 4272 1 181 . 1 1 27 27 THR H H 1 8.08 0.03 . 1 . . . . . . . . 4272 1 182 . 1 1 27 27 THR HA H 1 4.30 0.03 . 1 . . . . . . . . 4272 1 183 . 1 1 27 27 THR HB H 1 4.23 0.03 . 1 . . . . . . . . 4272 1 184 . 1 1 27 27 THR HG21 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 185 . 1 1 27 27 THR HG22 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 186 . 1 1 27 27 THR HG23 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 187 . 1 1 27 27 THR C C 13 174.71 0.23 . 1 . . . . . . . . 4272 1 188 . 1 1 27 27 THR CA C 13 61.74 0.23 . 1 . . . . . . . . 4272 1 189 . 1 1 27 27 THR CB C 13 69.27 0.23 . 1 . . . . . . . . 4272 1 190 . 1 1 27 27 THR CG2 C 13 21.59 0.23 . 1 . . . . . . . . 4272 1 191 . 1 1 27 27 THR N N 15 113.752 0.16 . 1 . . . . . . . . 4272 1 192 . 1 1 28 28 SER H H 1 8.19 0.03 . 1 . . . . . . . . 4272 1 193 . 1 1 28 28 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 4272 1 194 . 1 1 28 28 SER HB2 H 1 3.86 0.03 . 2 . . . . . . . . 4272 1 195 . 1 1 28 28 SER HB3 H 1 3.80 0.03 . 2 . . . . . . . . 4272 1 196 . 1 1 28 28 SER C C 13 174.35 0.23 . 1 . . . . . . . . 4272 1 197 . 1 1 28 28 SER CA C 13 58.18 0.23 . 1 . . . . . . . . 4272 1 198 . 1 1 28 28 SER CB C 13 63.29 0.23 . 1 . . . . . . . . 4272 1 199 . 1 1 28 28 SER N N 15 117.339 0.16 . 1 . . . . . . . . 4272 1 200 . 1 1 29 29 ASN H H 1 8.36 0.03 . 1 . . . . . . . . 4272 1 201 . 1 1 29 29 ASN HA H 1 4.65 0.03 . 1 . . . . . . . . 4272 1 202 . 1 1 29 29 ASN HB2 H 1 2.78 0.03 . 2 . . . . . . . . 4272 1 203 . 1 1 29 29 ASN C C 13 175.23 0.23 . 1 . . . . . . . . 4272 1 204 . 1 1 29 29 ASN CA C 13 53.17 0.23 . 1 . . . . . . . . 4272 1 205 . 1 1 29 29 ASN CB C 13 38.33 0.23 . 1 . . . . . . . . 4272 1 206 . 1 1 29 29 ASN N N 15 120.669 0.16 . 1 . . . . . . . . 4272 1 207 . 1 1 30 30 ARG H H 1 8.19 0.03 . 1 . . . . . . . . 4272 1 208 . 1 1 30 30 ARG HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 209 . 1 1 30 30 ARG HB2 H 1 1.87 0.03 . 2 . . . . . . . . 4272 1 210 . 1 1 30 30 ARG HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4272 1 211 . 1 1 30 30 ARG HG2 H 1 1.58 0.03 . 2 . . . . . . . . 4272 1 212 . 1 1 30 30 ARG C C 13 176.25 0.23 . 1 . . . . . . . . 4272 1 213 . 1 1 30 30 ARG CA C 13 56.21 0.23 . 1 . . . . . . . . 4272 1 214 . 1 1 30 30 ARG CB C 13 30.41 0.23 . 4 . . . . . . . . 4272 1 215 . 1 1 30 30 ARG CG C 13 27.00 0.23 . 4 . . . . . . . . 4272 1 216 . 1 1 30 30 ARG CD C 13 42.90 0.23 . 1 . . . . . . . . 4272 1 217 . 1 1 30 30 ARG N N 15 121.184 0.16 . 1 . . . . . . . . 4272 1 218 . 1 1 31 31 ARG H H 1 8.24 0.03 . 1 . . . . . . . . 4272 1 219 . 1 1 31 31 ARG HA H 1 4.25 0.03 . 1 . . . . . . . . 4272 1 220 . 1 1 31 31 ARG HB2 H 1 1.80 0.03 . 2 . . . . . . . . 4272 1 221 . 1 1 31 31 ARG HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4272 1 222 . 1 1 31 31 ARG HG2 H 1 1.58 0.03 . 2 . . . . . . . . 4272 1 223 . 1 1 31 31 ARG C C 13 176.35 0.23 . 1 . . . . . . . . 4272 1 224 . 1 1 31 31 ARG CA C 13 56.36 0.23 . 1 . . . . . . . . 4272 1 225 . 1 1 31 31 ARG CB C 13 30.30 0.23 . 4 . . . . . . . . 4272 1 226 . 1 1 31 31 ARG CG C 13 27.17 0.23 . 4 . . . . . . . . 4272 1 227 . 1 1 31 31 ARG CD C 13 43.18 0.23 . 1 . . . . . . . . 4272 1 228 . 1 1 31 31 ARG N N 15 121.25 0.16 . 1 . . . . . . . . 4272 1 229 . 1 1 32 32 LEU H H 1 8.14 0.03 . 1 . . . . . . . . 4272 1 230 . 1 1 32 32 LEU HA H 1 4.28 0.03 . 1 . . . . . . . . 4272 1 231 . 1 1 32 32 LEU HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4272 1 232 . 1 1 32 32 LEU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4272 1 233 . 1 1 32 32 LEU C C 13 177.30 0.23 . 1 . . . . . . . . 4272 1 234 . 1 1 32 32 LEU CA C 13 55.22 0.23 . 1 . . . . . . . . 4272 1 235 . 1 1 32 32 LEU CB C 13 41.99 0.23 . 1 . . . . . . . . 4272 1 236 . 1 1 32 32 LEU CG C 13 27.00 0.23 . 2 . . . . . . . . 4272 1 237 . 1 1 32 32 LEU CD1 C 13 24.94 0.23 . 2 . . . . . . . . 4272 1 238 . 1 1 32 32 LEU CD2 C 13 23.30 0.23 . 2 . . . . . . . . 4272 1 239 . 1 1 32 32 LEU N N 15 122.691 0.16 . 1 . . . . . . . . 4272 1 240 . 1 1 33 33 GLN H H 1 8.26 0.03 . 1 . . . . . . . . 4272 1 241 . 1 1 33 33 GLN HA H 1 4.28 0.03 . 1 . . . . . . . . 4272 1 242 . 1 1 33 33 GLN HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4272 1 243 . 1 1 33 33 GLN HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4272 1 244 . 1 1 33 33 GLN HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4272 1 245 . 1 1 33 33 GLN C C 13 175.85 0.23 . 1 . . . . . . . . 4272 1 246 . 1 1 33 33 GLN CA C 13 55.84 0.23 . 1 . . . . . . . . 4272 1 247 . 1 1 33 33 GLN CB C 13 29.28 0.23 . 1 . . . . . . . . 4272 1 248 . 1 1 33 33 GLN CG C 13 33.79 0.23 . 4 . . . . . . . . 4272 1 249 . 1 1 33 33 GLN N N 15 120.559 0.16 . 1 . . . . . . . . 4272 1 250 . 1 1 34 34 GLN H H 1 8.35 0.03 . 1 . . . . . . . . 4272 1 251 . 1 1 34 34 GLN HA H 1 4.35 0.03 . 1 . . . . . . . . 4272 1 252 . 1 1 34 34 GLN HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4272 1 253 . 1 1 34 34 GLN HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4272 1 254 . 1 1 34 34 GLN HG2 H 1 2.33 0.03 . 2 . . . . . . . . 4272 1 255 . 1 1 34 34 GLN C C 13 176.09 0.23 . 1 . . . . . . . . 4272 1 256 . 1 1 34 34 GLN CA C 13 55.77 0.23 . 1 . . . . . . . . 4272 1 257 . 1 1 34 34 GLN CB C 13 29.31 0.23 . 1 . . . . . . . . 4272 1 258 . 1 1 34 34 GLN CG C 13 33.80 0.23 . 4 . . . . . . . . 4272 1 259 . 1 1 34 34 GLN N N 15 121.327 0.16 . 1 . . . . . . . . 4272 1 260 . 1 1 35 35 THR H H 1 8.17 0.03 . 1 . . . . . . . . 4272 1 261 . 1 1 35 35 THR HA H 1 4.28 0.03 . 1 . . . . . . . . 4272 1 262 . 1 1 35 35 THR HB H 1 4.18 0.03 . 1 . . . . . . . . 4272 1 263 . 1 1 35 35 THR HG21 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 264 . 1 1 35 35 THR HG22 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 265 . 1 1 35 35 THR HG23 H 1 1.16 0.03 . 2 . . . . . . . . 4272 1 266 . 1 1 35 35 THR C C 13 174.40 0.23 . 1 . . . . . . . . 4272 1 267 . 1 1 35 35 THR CA C 13 61.68 0.23 . 1 . . . . . . . . 4272 1 268 . 1 1 35 35 THR CB C 13 69.38 0.23 . 1 . . . . . . . . 4272 1 269 . 1 1 35 35 THR CG2 C 13 21.65 0.23 . 1 . . . . . . . . 4272 1 270 . 1 1 35 35 THR N N 15 115.152 0.16 . 1 . . . . . . . . 4272 1 271 . 1 1 36 36 GLN H H 1 8.36 0.03 . 1 . . . . . . . . 4272 1 272 . 1 1 36 36 GLN HA H 1 4.27 0.03 . 1 . . . . . . . . 4272 1 273 . 1 1 36 36 GLN HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4272 1 274 . 1 1 36 36 GLN HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4272 1 275 . 1 1 36 36 GLN HG2 H 1 2.33 0.03 . 2 . . . . . . . . 4272 1 276 . 1 1 36 36 GLN C C 13 175.41 0.23 . 1 . . . . . . . . 4272 1 277 . 1 1 36 36 GLN CA C 13 55.67 0.23 . 1 . . . . . . . . 4272 1 278 . 1 1 36 36 GLN CB C 13 29.41 0.23 . 1 . . . . . . . . 4272 1 279 . 1 1 36 36 GLN CG C 13 33.72 0.23 . 4 . . . . . . . . 4272 1 280 . 1 1 36 36 GLN N N 15 122.429 0.16 . 1 . . . . . . . . 4272 1 281 . 1 1 37 37 ALA H H 1 8.26 0.03 . 1 . . . . . . . . 4272 1 282 . 1 1 37 37 ALA HA H 1 4.24 0.03 . 1 . . . . . . . . 4272 1 283 . 1 1 37 37 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 4272 1 284 . 1 1 37 37 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4272 1 285 . 1 1 37 37 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4272 1 286 . 1 1 37 37 ALA C C 13 177.45 0.23 . 1 . . . . . . . . 4272 1 287 . 1 1 37 37 ALA CA C 13 52.41 0.23 . 1 . . . . . . . . 4272 1 288 . 1 1 37 37 ALA CB C 13 19.02 0.23 . 1 . . . . . . . . 4272 1 289 . 1 1 37 37 ALA N N 15 124.975 0.16 . 1 . . . . . . . . 4272 1 290 . 1 1 38 38 GLN H H 1 8.27 0.03 . 1 . . . . . . . . 4272 1 291 . 1 1 38 38 GLN HA H 1 4.28 0.03 . 1 . . . . . . . . 4272 1 292 . 1 1 38 38 GLN HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4272 1 293 . 1 1 38 38 GLN HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4272 1 294 . 1 1 38 38 GLN HG2 H 1 2.31 0.03 . 2 . . . . . . . . 4272 1 295 . 1 1 38 38 GLN C C 13 175.92 0.23 . 1 . . . . . . . . 4272 1 296 . 1 1 38 38 GLN CA C 13 55.62 0.23 . 1 . . . . . . . . 4272 1 297 . 1 1 38 38 GLN CB C 13 29.21 0.23 . 1 . . . . . . . . 4272 1 298 . 1 1 38 38 GLN CG C 13 33.83 0.23 . 1 . . . . . . . . 4272 1 299 . 1 1 38 38 GLN N N 15 119.756 0.16 . 1 . . . . . . . . 4272 1 300 . 1 1 39 39 VAL H H 1 8.12 0.03 . 1 . . . . . . . . 4272 1 301 . 1 1 39 39 VAL HA H 1 4.08 0.03 . 1 . . . . . . . . 4272 1 302 . 1 1 39 39 VAL HB H 1 2.04 0.03 . 1 . . . . . . . . 4272 1 303 . 1 1 39 39 VAL HG11 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 304 . 1 1 39 39 VAL HG12 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 305 . 1 1 39 39 VAL HG13 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 306 . 1 1 39 39 VAL C C 13 175.66 0.23 . 1 . . . . . . . . 4272 1 307 . 1 1 39 39 VAL CA C 13 62.04 0.23 . 1 . . . . . . . . 4272 1 308 . 1 1 39 39 VAL CB C 13 32.71 0.23 . 1 . . . . . . . . 4272 1 309 . 1 1 39 39 VAL CG1 C 13 20.89 0.23 . 1 . . . . . . . . 4272 1 310 . 1 1 39 39 VAL N N 15 121.064 0.16 . 1 . . . . . . . . 4272 1 311 . 1 1 40 40 ASP H H 1 8.32 0.03 . 1 . . . . . . . . 4272 1 312 . 1 1 40 40 ASP HA H 1 4.56 0.03 . 1 . . . . . . . . 4272 1 313 . 1 1 40 40 ASP HB2 H 1 2.64 0.03 . 2 . . . . . . . . 4272 1 314 . 1 1 40 40 ASP HB3 H 1 2.53 0.03 . 2 . . . . . . . . 4272 1 315 . 1 1 40 40 ASP CA C 13 54.23 0.23 . 1 . . . . . . . . 4272 1 316 . 1 1 40 40 ASP CB C 13 41.00 0.23 . 1 . . . . . . . . 4272 1 317 . 1 1 40 40 ASP N N 15 123.383 0.16 . 1 . . . . . . . . 4272 1 318 . 1 1 41 41 GLU HA H 1 4.19 0.03 . 9 . . . . . . . . 4272 1 319 . 1 1 41 41 GLU HB2 H 1 1.89 0.03 . 9 . . . . . . . . 4272 1 320 . 1 1 41 41 GLU C C 13 176.14 0.23 . 9 . . . . . . . . 4272 1 321 . 1 1 41 41 GLU CA C 13 56.47 0.23 . 9 . . . . . . . . 4272 1 322 . 1 1 41 41 GLU CB C 13 30.38 0.23 . 9 . . . . . . . . 4272 1 323 . 1 1 41 41 GLU CG C 13 36.09 0.23 . 9 . . . . . . . . 4272 1 324 . 1 1 42 42 VAL H H 1 8.17 0.03 . 1 . . . . . . . . 4272 1 325 . 1 1 42 42 VAL HA H 1 4.03 0.03 . 1 . . . . . . . . 4272 1 326 . 1 1 42 42 VAL HB H 1 2.01 0.03 . 1 . . . . . . . . 4272 1 327 . 1 1 42 42 VAL HG11 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 328 . 1 1 42 42 VAL HG12 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 329 . 1 1 42 42 VAL HG13 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 330 . 1 1 42 42 VAL C C 13 176.05 0.23 . 1 . . . . . . . . 4272 1 331 . 1 1 42 42 VAL CA C 13 62.30 0.23 . 1 . . . . . . . . 4272 1 332 . 1 1 42 42 VAL CB C 13 32.43 0.23 . 1 . . . . . . . . 4272 1 333 . 1 1 42 42 VAL CG1 C 13 21.09 0.23 . 1 . . . . . . . . 4272 1 334 . 1 1 42 42 VAL N N 15 121.934 0.16 . 1 . . . . . . . . 4272 1 335 . 1 1 43 43 VAL H H 1 8.12 0.03 . 1 . . . . . . . . 4272 1 336 . 1 1 43 43 VAL HA H 1 4.03 0.03 . 1 . . . . . . . . 4272 1 337 . 1 1 43 43 VAL HB H 1 2.00 0.03 . 1 . . . . . . . . 4272 1 338 . 1 1 43 43 VAL HG11 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 339 . 1 1 43 43 VAL HG12 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 340 . 1 1 43 43 VAL HG13 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 341 . 1 1 43 43 VAL C C 13 175.64 0.23 . 1 . . . . . . . . 4272 1 342 . 1 1 43 43 VAL CA C 13 62.10 0.23 . 1 . . . . . . . . 4272 1 343 . 1 1 43 43 VAL CB C 13 32.64 0.23 . 1 . . . . . . . . 4272 1 344 . 1 1 43 43 VAL CG1 C 13 20.90 0.23 . 1 . . . . . . . . 4272 1 345 . 1 1 43 43 VAL N N 15 123.917 0.16 . 1 . . . . . . . . 4272 1 346 . 1 1 44 44 ASP H H 1 8.30 0.03 . 1 . . . . . . . . 4272 1 347 . 1 1 44 44 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 4272 1 348 . 1 1 44 44 ASP HB2 H 1 2.64 0.03 . 2 . . . . . . . . 4272 1 349 . 1 1 44 44 ASP HB3 H 1 2.52 0.03 . 2 . . . . . . . . 4272 1 350 . 1 1 44 44 ASP C C 13 176.47 0.23 . 1 . . . . . . . . 4272 1 351 . 1 1 44 44 ASP CA C 13 53.88 0.23 . 1 . . . . . . . . 4272 1 352 . 1 1 44 44 ASP CB C 13 40.96 0.23 . 1 . . . . . . . . 4272 1 353 . 1 1 44 44 ASP N N 15 124.093 0.16 . 1 . . . . . . . . 4272 1 354 . 1 1 45 45 ILE H H 1 8.04 0.03 . 1 . . . . . . . . 4272 1 355 . 1 1 45 45 ILE HA H 1 4.06 0.03 . 1 . . . . . . . . 4272 1 356 . 1 1 45 45 ILE HB H 1 1.85 0.03 . 1 . . . . . . . . 4272 1 357 . 1 1 45 45 ILE HG12 H 1 1.41 0.03 . 4 . . . . . . . . 4272 1 358 . 1 1 45 45 ILE HG21 H 1 0.87 0.03 . 4 . . . . . . . . 4272 1 359 . 1 1 45 45 ILE HG22 H 1 0.87 0.03 . 4 . . . . . . . . 4272 1 360 . 1 1 45 45 ILE HG23 H 1 0.87 0.03 . 4 . . . . . . . . 4272 1 361 . 1 1 45 45 ILE C C 13 176.30 0.23 . 1 . . . . . . . . 4272 1 362 . 1 1 45 45 ILE CA C 13 61.50 0.23 . 1 . . . . . . . . 4272 1 363 . 1 1 45 45 ILE CB C 13 38.35 0.23 . 1 . . . . . . . . 4272 1 364 . 1 1 45 45 ILE CG1 C 13 27.20 0.23 . 2 . . . . . . . . 4272 1 365 . 1 1 45 45 ILE CG2 C 13 17.61 0.23 . 2 . . . . . . . . 4272 1 366 . 1 1 45 45 ILE CD1 C 13 13.37 0.23 . 1 . . . . . . . . 4272 1 367 . 1 1 45 45 ILE N N 15 120.82 0.16 . 1 . . . . . . . . 4272 1 368 . 1 1 46 46 MET H H 1 8.27 0.03 . 1 . . . . . . . . 4272 1 369 . 1 1 46 46 MET HA H 1 4.40 0.03 . 1 . . . . . . . . 4272 1 370 . 1 1 46 46 MET HB2 H 1 2.03 0.03 . 2 . . . . . . . . 4272 1 371 . 1 1 46 46 MET HG2 H 1 2.60 0.03 . 2 . . . . . . . . 4272 1 372 . 1 1 46 46 MET HG3 H 1 2.46 0.03 . 2 . . . . . . . . 4272 1 373 . 1 1 46 46 MET C C 13 176.30 0.23 . 1 . . . . . . . . 4272 1 374 . 1 1 46 46 MET CA C 13 55.70 0.23 . 1 . . . . . . . . 4272 1 375 . 1 1 46 46 MET CB C 13 32.38 0.23 . 1 . . . . . . . . 4272 1 376 . 1 1 46 46 MET N N 15 121.674 0.16 . 1 . . . . . . . . 4272 1 377 . 1 1 47 47 ARG H H 1 8.03 0.03 . 1 . . . . . . . . 4272 1 378 . 1 1 47 47 ARG HA H 1 4.27 0.03 . 1 . . . . . . . . 4272 1 379 . 1 1 47 47 ARG HB2 H 1 1.81 0.03 . 4 . . . . . . . . 4272 1 380 . 1 1 47 47 ARG HB3 H 1 1.72 0.03 . 4 . . . . . . . . 4272 1 381 . 1 1 47 47 ARG C C 13 176.02 0.23 . 1 . . . . . . . . 4272 1 382 . 1 1 47 47 ARG CA C 13 55.81 0.23 . 1 . . . . . . . . 4272 1 383 . 1 1 47 47 ARG CB C 13 30.36 0.23 . 4 . . . . . . . . 4272 1 384 . 1 1 47 47 ARG CG C 13 27.18 0.23 . 4 . . . . . . . . 4272 1 385 . 1 1 47 47 ARG CD C 13 43.20 0.23 . 1 . . . . . . . . 4272 1 386 . 1 1 47 47 ARG N N 15 121.571 0.16 . 1 . . . . . . . . 4272 1 387 . 1 1 48 48 VAL H H 1 7.97 0.03 . 1 . . . . . . . . 4272 1 388 . 1 1 48 48 VAL HA H 1 4.03 0.03 . 1 . . . . . . . . 4272 1 389 . 1 1 48 48 VAL HB H 1 2.01 0.03 . 1 . . . . . . . . 4272 1 390 . 1 1 48 48 VAL HG11 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 391 . 1 1 48 48 VAL HG12 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 392 . 1 1 48 48 VAL HG13 H 1 0.87 0.03 . 2 . . . . . . . . 4272 1 393 . 1 1 48 48 VAL C C 13 175.66 0.23 . 1 . . . . . . . . 4272 1 394 . 1 1 48 48 VAL CA C 13 62.00 0.23 . 1 . . . . . . . . 4272 1 395 . 1 1 48 48 VAL CB C 13 32.69 0.23 . 1 . . . . . . . . 4272 1 396 . 1 1 48 48 VAL CG1 C 13 20.90 0.23 . 1 . . . . . . . . 4272 1 397 . 1 1 48 48 VAL N N 15 120.264 0.16 . 1 . . . . . . . . 4272 1 398 . 1 1 49 49 ASN H H 1 8.45 0.03 . 1 . . . . . . . . 4272 1 399 . 1 1 49 49 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . 4272 1 400 . 1 1 49 49 ASN HB2 H 1 2.80 0.03 . 2 . . . . . . . . 4272 1 401 . 1 1 49 49 ASN HB3 H 1 2.70 0.03 . 2 . . . . . . . . 4272 1 402 . 1 1 49 49 ASN C C 13 175.20 0.23 . 1 . . . . . . . . 4272 1 403 . 1 1 49 49 ASN CA C 13 52.97 0.23 . 1 . . . . . . . . 4272 1 404 . 1 1 49 49 ASN CB C 13 38.72 0.23 . 1 . . . . . . . . 4272 1 405 . 1 1 49 49 ASN N N 15 122.151 0.16 . 1 . . . . . . . . 4272 1 406 . 1 1 50 50 VAL H H 1 8.05 0.03 . 1 . . . . . . . . 4272 1 407 . 1 1 50 50 VAL HA H 1 4.05 0.03 . 1 . . . . . . . . 4272 1 408 . 1 1 50 50 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4272 1 409 . 1 1 50 50 VAL HG11 H 1 0.86 0.03 . 2 . . . . . . . . 4272 1 410 . 1 1 50 50 VAL HG12 H 1 0.86 0.03 . 2 . . . . . . . . 4272 1 411 . 1 1 50 50 VAL HG13 H 1 0.86 0.03 . 2 . . . . . . . . 4272 1 412 . 1 1 50 50 VAL C C 13 175.71 0.23 . 1 . . . . . . . . 4272 1 413 . 1 1 50 50 VAL CA C 13 62.10 0.23 . 1 . . . . . . . . 4272 1 414 . 1 1 50 50 VAL CB C 13 32.49 0.23 . 1 . . . . . . . . 4272 1 415 . 1 1 50 50 VAL CG1 C 13 21.10 0.23 . 2 . . . . . . . . 4272 1 416 . 1 1 50 50 VAL CG2 C 13 20.70 0.23 . 2 . . . . . . . . 4272 1 417 . 1 1 50 50 VAL N N 15 119.98 0.16 . 1 . . . . . . . . 4272 1 418 . 1 1 51 51 ASP H H 1 8.28 0.03 . 1 . . . . . . . . 4272 1 419 . 1 1 51 51 ASP HA H 1 4.53 0.03 . 1 . . . . . . . . 4272 1 420 . 1 1 51 51 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 4272 1 421 . 1 1 51 51 ASP HB3 H 1 2.56 0.03 . 2 . . . . . . . . 4272 1 422 . 1 1 51 51 ASP C C 13 176.17 0.23 . 1 . . . . . . . . 4272 1 423 . 1 1 51 51 ASP CA C 13 54.42 0.23 . 1 . . . . . . . . 4272 1 424 . 1 1 51 51 ASP CB C 13 40.88 0.23 . 1 . . . . . . . . 4272 1 425 . 1 1 51 51 ASP N N 15 122.862 0.16 . 1 . . . . . . . . 4272 1 426 . 1 1 52 52 LYS H H 1 8.05 0.03 . 1 . . . . . . . . 4272 1 427 . 1 1 52 52 LYS HA H 1 4.23 0.03 . 1 . . . . . . . . 4272 1 428 . 1 1 52 52 LYS HB2 H 1 1.75 0.03 . 4 . . . . . . . . 4272 1 429 . 1 1 52 52 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4272 1 430 . 1 1 52 52 LYS HD2 H 1 1.70 0.03 . 4 . . . . . . . . 4272 1 431 . 1 1 52 52 LYS C C 13 176.52 0.23 . 1 . . . . . . . . 4272 1 432 . 1 1 52 52 LYS CA C 13 56.20 0.23 . 1 . . . . . . . . 4272 1 433 . 1 1 52 52 LYS CB C 13 32.76 0.23 . 4 . . . . . . . . 4272 1 434 . 1 1 52 52 LYS CG C 13 24.74 0.23 . 4 . . . . . . . . 4272 1 435 . 1 1 52 52 LYS CD C 13 29.03 0.23 . 4 . . . . . . . . 4272 1 436 . 1 1 52 52 LYS N N 15 121.122 0.16 . 1 . . . . . . . . 4272 1 437 . 1 1 53 53 VAL H H 1 8.03 0.03 . 1 . . . . . . . . 4272 1 438 . 1 1 53 53 VAL HA H 1 3.95 0.03 . 1 . . . . . . . . 4272 1 439 . 1 1 53 53 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 4272 1 440 . 1 1 53 53 VAL HG11 H 1 0.88 0.03 . 2 . . . . . . . . 4272 1 441 . 1 1 53 53 VAL HG12 H 1 0.88 0.03 . 2 . . . . . . . . 4272 1 442 . 1 1 53 53 VAL HG13 H 1 0.88 0.03 . 2 . . . . . . . . 4272 1 443 . 1 1 53 53 VAL C C 13 176.19 0.23 . 1 . . . . . . . . 4272 1 444 . 1 1 53 53 VAL CA C 13 62.70 0.23 . 1 . . . . . . . . 4272 1 445 . 1 1 53 53 VAL CB C 13 32.47 0.23 . 1 . . . . . . . . 4272 1 446 . 1 1 53 53 VAL CG1 C 13 21.15 0.23 . 2 . . . . . . . . 4272 1 447 . 1 1 53 53 VAL CG2 C 13 19.43 0.23 . 2 . . . . . . . . 4272 1 448 . 1 1 53 53 VAL N N 15 121.571 0.16 . 1 . . . . . . . . 4272 1 449 . 1 1 54 54 LEU H H 1 8.21 0.03 . 1 . . . . . . . . 4272 1 450 . 1 1 54 54 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 4272 1 451 . 1 1 54 54 LEU HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4272 1 452 . 1 1 54 54 LEU HB3 H 1 1.52 0.03 . 2 . . . . . . . . 4272 1 453 . 1 1 54 54 LEU C C 13 177.40 0.23 . 1 . . . . . . . . 4272 1 454 . 1 1 54 54 LEU CA C 13 55.09 0.23 . 1 . . . . . . . . 4272 1 455 . 1 1 54 54 LEU CB C 13 41.99 0.23 . 1 . . . . . . . . 4272 1 456 . 1 1 54 54 LEU CG C 13 27.00 0.23 . 4 . . . . . . . . 4272 1 457 . 1 1 54 54 LEU CD1 C 13 24.90 0.23 . 2 . . . . . . . . 4272 1 458 . 1 1 54 54 LEU CD2 C 13 23.50 0.23 . 2 . . . . . . . . 4272 1 459 . 1 1 54 54 LEU N N 15 125.033 0.16 . 1 . . . . . . . . 4272 1 460 . 1 1 55 55 GLU H H 1 8.25 0.03 . 1 . . . . . . . . 4272 1 461 . 1 1 55 55 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 4272 1 462 . 1 1 55 55 GLU HB2 H 1 2.02 0.03 . 2 . . . . . . . . 4272 1 463 . 1 1 55 55 GLU HB3 H 1 1.90 0.03 . 2 . . . . . . . . 4272 1 464 . 1 1 55 55 GLU HG2 H 1 2.22 0.03 . 2 . . . . . . . . 4272 1 465 . 1 1 55 55 GLU C C 13 176.50 0.23 . 1 . . . . . . . . 4272 1 466 . 1 1 55 55 GLU CA C 13 56.30 0.23 . 1 . . . . . . . . 4272 1 467 . 1 1 55 55 GLU CB C 13 30.20 0.23 . 1 . . . . . . . . 4272 1 468 . 1 1 55 55 GLU CG C 13 36.20 0.23 . 4 . . . . . . . . 4272 1 469 . 1 1 55 55 GLU N N 15 121.449 0.16 . 1 . . . . . . . . 4272 1 470 . 1 1 56 56 ARG H H 1 8.18 0.03 . 1 . . . . . . . . 4272 1 471 . 1 1 56 56 ARG HA H 1 4.19 0.03 . 1 . . . . . . . . 4272 1 472 . 1 1 56 56 ARG C C 13 176.12 0.23 . 1 . . . . . . . . 4272 1 473 . 1 1 56 56 ARG CA C 13 56.50 0.23 . 1 . . . . . . . . 4272 1 474 . 1 1 56 56 ARG CB C 13 30.83 0.23 . 1 . . . . . . . . 4272 1 475 . 1 1 56 56 ARG CG C 13 26.90 0.23 . 1 . . . . . . . . 4272 1 476 . 1 1 56 56 ARG CD C 13 43.30 0.23 . 1 . . . . . . . . 4272 1 477 . 1 1 56 56 ARG N N 15 120.97 0.16 . 1 . . . . . . . . 4272 1 478 . 1 1 57 57 ASP H H 1 8.26 0.03 . 1 . . . . . . . . 4272 1 479 . 1 1 57 57 ASP HA H 1 4.51 0.03 . 1 . . . . . . . . 4272 1 480 . 1 1 57 57 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 4272 1 481 . 1 1 57 57 ASP HB3 H 1 2.59 0.03 . 2 . . . . . . . . 4272 1 482 . 1 1 57 57 ASP C C 13 176.40 0.23 . 1 . . . . . . . . 4272 1 483 . 1 1 57 57 ASP CA C 13 54.45 0.23 . 1 . . . . . . . . 4272 1 484 . 1 1 57 57 ASP CB C 13 40.90 0.23 . 1 . . . . . . . . 4272 1 485 . 1 1 57 57 ASP N N 15 120.559 0.16 . 1 . . . . . . . . 4272 1 486 . 1 1 58 58 GLN H H 1 8.21 0.03 . 1 . . . . . . . . 4272 1 487 . 1 1 58 58 GLN HA H 1 4.20 0.03 . 1 . . . . . . . . 4272 1 488 . 1 1 58 58 GLN HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4272 1 489 . 1 1 58 58 GLN HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4272 1 490 . 1 1 58 58 GLN HG2 H 1 2.30 0.03 . 2 . . . . . . . . 4272 1 491 . 1 1 58 58 GLN C C 13 176.09 0.23 . 1 . . . . . . . . 4272 1 492 . 1 1 58 58 GLN CA C 13 56.00 0.23 . 1 . . . . . . . . 4272 1 493 . 1 1 58 58 GLN CB C 13 29.30 0.23 . 1 . . . . . . . . 4272 1 494 . 1 1 58 58 GLN CG C 13 33.83 0.23 . 4 . . . . . . . . 4272 1 495 . 1 1 58 58 GLN N N 15 120.8 0.16 . 1 . . . . . . . . 4272 1 496 . 1 1 59 59 LYS H H 1 8.27 0.03 . 1 . . . . . . . . 4272 1 497 . 1 1 59 59 LYS HA H 1 4.20 0.03 . 1 . . . . . . . . 4272 1 498 . 1 1 59 59 LYS HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4272 1 499 . 1 1 59 59 LYS HB3 H 1 1.39 0.03 . 2 . . . . . . . . 4272 1 500 . 1 1 59 59 LYS C C 13 176.84 0.23 . 1 . . . . . . . . 4272 1 501 . 1 1 59 59 LYS CA C 13 56.10 0.23 . 1 . . . . . . . . 4272 1 502 . 1 1 59 59 LYS CB C 13 32.40 0.23 . 1 . . . . . . . . 4272 1 503 . 1 1 59 59 LYS CG C 13 24.75 0.23 . 4 . . . . . . . . 4272 1 504 . 1 1 59 59 LYS CD C 13 28.97 0.23 . 4 . . . . . . . . 4272 1 505 . 1 1 59 59 LYS N N 15 121.674 0.16 . 1 . . . . . . . . 4272 1 506 . 1 1 60 60 LEU H H 1 8.16 0.03 . 1 . . . . . . . . 4272 1 507 . 1 1 60 60 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 4272 1 508 . 1 1 60 60 LEU HB2 H 1 1.63 0.03 . 2 . . . . . . . . 4272 1 509 . 1 1 60 60 LEU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4272 1 510 . 1 1 60 60 LEU C C 13 177.61 0.23 . 1 . . . . . . . . 4272 1 511 . 1 1 60 60 LEU CA C 13 55.41 0.23 . 1 . . . . . . . . 4272 1 512 . 1 1 60 60 LEU CB C 13 41.93 0.23 . 1 . . . . . . . . 4272 1 513 . 1 1 60 60 LEU CG C 13 27.04 0.23 . 4 . . . . . . . . 4272 1 514 . 1 1 60 60 LEU CD1 C 13 24.90 0.23 . 2 . . . . . . . . 4272 1 515 . 1 1 60 60 LEU CD2 C 13 23.31 0.23 . 2 . . . . . . . . 4272 1 516 . 1 1 60 60 LEU N N 15 122.442 0.16 . 1 . . . . . . . . 4272 1 517 . 1 1 61 61 SER H H 1 8.20 0.03 . 1 . . . . . . . . 4272 1 518 . 1 1 61 61 SER HA H 1 4.37 0.03 . 1 . . . . . . . . 4272 1 519 . 1 1 61 61 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4272 1 520 . 1 1 61 61 SER HB3 H 1 3.80 0.03 . 2 . . . . . . . . 4272 1 521 . 1 1 61 61 SER C C 13 174.66 0.23 . 1 . . . . . . . . 4272 1 522 . 1 1 61 61 SER CA C 13 58.38 0.23 . 1 . . . . . . . . 4272 1 523 . 1 1 61 61 SER CB C 13 63.46 0.23 . 1 . . . . . . . . 4272 1 524 . 1 1 61 61 SER N N 15 115.765 0.16 . 1 . . . . . . . . 4272 1 525 . 1 1 62 62 GLU H H 1 8.32 0.03 . 1 . . . . . . . . 4272 1 526 . 1 1 62 62 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 4272 1 527 . 1 1 62 62 GLU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4272 1 528 . 1 1 62 62 GLU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4272 1 529 . 1 1 62 62 GLU HG2 H 1 2.22 0.03 . 2 . . . . . . . . 4272 1 530 . 1 1 62 62 GLU C C 13 176.44 0.23 . 1 . . . . . . . . 4272 1 531 . 1 1 62 62 GLU CA C 13 56.59 0.23 . 1 . . . . . . . . 4272 1 532 . 1 1 62 62 GLU CB C 13 29.85 0.23 . 1 . . . . . . . . 4272 1 533 . 1 1 62 62 GLU CG C 13 36.18 0.23 . 4 . . . . . . . . 4272 1 534 . 1 1 62 62 GLU N N 15 122.217 0.16 . 1 . . . . . . . . 4272 1 535 . 1 1 63 63 LEU H H 1 8.00 0.03 . 1 . . . . . . . . 4272 1 536 . 1 1 63 63 LEU HA H 1 4.23 0.03 . 1 . . . . . . . . 4272 1 537 . 1 1 63 63 LEU HB2 H 1 1.59 0.03 . 2 . . . . . . . . 4272 1 538 . 1 1 63 63 LEU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4272 1 539 . 1 1 63 63 LEU C C 13 177.05 0.23 . 1 . . . . . . . . 4272 1 540 . 1 1 63 63 LEU CA C 13 55.15 0.23 . 1 . . . . . . . . 4272 1 541 . 1 1 63 63 LEU CB C 13 42.00 0.23 . 1 . . . . . . . . 4272 1 542 . 1 1 63 63 LEU CG C 13 26.93 0.23 . 4 . . . . . . . . 4272 1 543 . 1 1 63 63 LEU CD1 C 13 25.03 0.23 . 2 . . . . . . . . 4272 1 544 . 1 1 63 63 LEU CD2 C 13 23.31 0.23 . 2 . . . . . . . . 4272 1 545 . 1 1 63 63 LEU N N 15 121.297 0.16 . 1 . . . . . . . . 4272 1 546 . 1 1 64 64 ASP H H 1 8.09 0.03 . 1 . . . . . . . . 4272 1 547 . 1 1 64 64 ASP HA H 1 4.54 0.03 . 1 . . . . . . . . 4272 1 548 . 1 1 64 64 ASP HB2 H 1 2.69 0.03 . 2 . . . . . . . . 4272 1 549 . 1 1 64 64 ASP HB3 H 1 2.58 0.03 . 2 . . . . . . . . 4272 1 550 . 1 1 64 64 ASP C C 13 175.90 0.23 . 1 . . . . . . . . 4272 1 551 . 1 1 64 64 ASP CA C 13 54.35 0.23 . 1 . . . . . . . . 4272 1 552 . 1 1 64 64 ASP CB C 13 41.14 0.23 . 1 . . . . . . . . 4272 1 553 . 1 1 64 64 ASP N N 15 120.823 0.16 . 1 . . . . . . . . 4272 1 554 . 1 1 65 65 ASP H H 1 8.19 0.03 . 1 . . . . . . . . 4272 1 555 . 1 1 65 65 ASP HA H 1 4.54 0.03 . 1 . . . . . . . . 4272 1 556 . 1 1 65 65 ASP HB2 H 1 2.64 0.03 . 2 . . . . . . . . 4272 1 557 . 1 1 65 65 ASP C C 13 176.51 0.23 . 1 . . . . . . . . 4272 1 558 . 1 1 65 65 ASP CA C 13 54.30 0.23 . 1 . . . . . . . . 4272 1 559 . 1 1 65 65 ASP CB C 13 40.92 0.23 . 1 . . . . . . . . 4272 1 560 . 1 1 65 65 ASP N N 15 121.184 0.16 . 1 . . . . . . . . 4272 1 561 . 1 1 66 66 ARG H H 1 8.13 0.03 . 1 . . . . . . . . 4272 1 562 . 1 1 66 66 ARG HA H 1 4.23 0.03 . 1 . . . . . . . . 4272 1 563 . 1 1 66 66 ARG HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4272 1 564 . 1 1 66 66 ARG HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4272 1 565 . 1 1 66 66 ARG HG2 H 1 1.59 0.03 . 2 . . . . . . . . 4272 1 566 . 1 1 66 66 ARG C C 13 176.56 0.23 . 1 . . . . . . . . 4272 1 567 . 1 1 66 66 ARG CA C 13 56.17 0.23 . 1 . . . . . . . . 4272 1 568 . 1 1 66 66 ARG CB C 13 30.26 0.23 . 1 . . . . . . . . 4272 1 569 . 1 1 66 66 ARG CG C 13 26.95 0.23 . 4 . . . . . . . . 4272 1 570 . 1 1 66 66 ARG CD C 13 43.21 0.23 . 1 . . . . . . . . 4272 1 571 . 1 1 66 66 ARG N N 15 120.452 0.16 . 1 . . . . . . . . 4272 1 572 . 1 1 67 67 ALA H H 1 8.17 0.03 . 1 . . . . . . . . 4272 1 573 . 1 1 67 67 ALA HA H 1 4.16 0.03 . 1 . . . . . . . . 4272 1 574 . 1 1 67 67 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 4272 1 575 . 1 1 67 67 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 4272 1 576 . 1 1 67 67 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 4272 1 577 . 1 1 67 67 ALA C C 13 177.93 0.23 . 1 . . . . . . . . 4272 1 578 . 1 1 67 67 ALA CA C 13 53.00 0.23 . 1 . . . . . . . . 4272 1 579 . 1 1 67 67 ALA CB C 13 18.85 0.23 . 1 . . . . . . . . 4272 1 580 . 1 1 67 67 ALA N N 15 123.923 0.16 . 1 . . . . . . . . 4272 1 581 . 1 1 68 68 ASP H H 1 8.19 0.03 . 1 . . . . . . . . 4272 1 582 . 1 1 68 68 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 4272 1 583 . 1 1 68 68 ASP HB2 H 1 2.61 0.03 . 2 . . . . . . . . 4272 1 584 . 1 1 68 68 ASP C C 13 176.44 0.23 . 1 . . . . . . . . 4272 1 585 . 1 1 68 68 ASP CA C 13 54.29 0.23 . 1 . . . . . . . . 4272 1 586 . 1 1 68 68 ASP CB C 13 40.78 0.23 . 1 . . . . . . . . 4272 1 587 . 1 1 68 68 ASP N N 15 118.548 0.16 . 1 . . . . . . . . 4272 1 588 . 1 1 69 69 ALA H H 1 8.01 0.03 . 1 . . . . . . . . 4272 1 589 . 1 1 69 69 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 4272 1 590 . 1 1 69 69 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 591 . 1 1 69 69 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 592 . 1 1 69 69 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 593 . 1 1 69 69 ALA C C 13 178.16 0.23 . 1 . . . . . . . . 4272 1 594 . 1 1 69 69 ALA CA C 13 52.70 0.23 . 1 . . . . . . . . 4272 1 595 . 1 1 69 69 ALA CB C 13 19.17 0.23 . 1 . . . . . . . . 4272 1 596 . 1 1 69 69 ALA N N 15 123.406 0.16 . 1 . . . . . . . . 4272 1 597 . 1 1 70 70 LEU H H 1 8.04 0.03 . 1 . . . . . . . . 4272 1 598 . 1 1 70 70 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 599 . 1 1 70 70 LEU HB2 H 1 1.65 0.03 . 2 . . . . . . . . 4272 1 600 . 1 1 70 70 LEU HB3 H 1 1.53 0.03 . 2 . . . . . . . . 4272 1 601 . 1 1 70 70 LEU C C 13 177.72 0.23 . 1 . . . . . . . . 4272 1 602 . 1 1 70 70 LEU CA C 13 55.30 0.23 . 1 . . . . . . . . 4272 1 603 . 1 1 70 70 LEU CB C 13 41.80 0.23 . 1 . . . . . . . . 4272 1 604 . 1 1 70 70 LEU CG C 13 27.00 0.23 . 4 . . . . . . . . 4272 1 605 . 1 1 70 70 LEU CD1 C 13 25.00 0.23 . 2 . . . . . . . . 4272 1 606 . 1 1 70 70 LEU CD2 C 13 23.40 0.23 . 2 . . . . . . . . 4272 1 607 . 1 1 70 70 LEU N N 15 119.667 0.16 . 1 . . . . . . . . 4272 1 608 . 1 1 71 71 GLN H H 1 8.05 0.03 . 1 . . . . . . . . 4272 1 609 . 1 1 71 71 GLN HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 610 . 1 1 71 71 GLN HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4272 1 611 . 1 1 71 71 GLN HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4272 1 612 . 1 1 71 71 GLN HG2 H 1 2.31 0.03 . 2 . . . . . . . . 4272 1 613 . 1 1 71 71 GLN C C 13 175.87 0.23 . 1 . . . . . . . . 4272 1 614 . 1 1 71 71 GLN CA C 13 55.60 0.23 . 1 . . . . . . . . 4272 1 615 . 1 1 71 71 GLN CB C 13 29.00 0.23 . 1 . . . . . . . . 4272 1 616 . 1 1 71 71 GLN CG C 13 33.67 0.23 . 4 . . . . . . . . 4272 1 617 . 1 1 71 71 GLN N N 15 119.98 0.16 . 1 . . . . . . . . 4272 1 618 . 1 1 72 72 ALA H H 1 8.19 0.03 . 1 . . . . . . . . 4272 1 619 . 1 1 72 72 ALA HA H 1 4.21 0.03 . 1 . . . . . . . . 4272 1 620 . 1 1 72 72 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 4272 1 621 . 1 1 72 72 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 4272 1 622 . 1 1 72 72 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 4272 1 623 . 1 1 72 72 ALA C C 13 178.25 0.23 . 1 . . . . . . . . 4272 1 624 . 1 1 72 72 ALA CA C 13 52.71 0.23 . 1 . . . . . . . . 4272 1 625 . 1 1 72 72 ALA CB C 13 18.80 0.23 . 1 . . . . . . . . 4272 1 626 . 1 1 72 72 ALA N N 15 124.46 0.16 . 1 . . . . . . . . 4272 1 627 . 1 1 73 73 GLY H H 1 8.29 0.03 . 1 . . . . . . . . 4272 1 628 . 1 1 73 73 GLY HA2 H 1 3.91 0.03 . 2 . . . . . . . . 4272 1 629 . 1 1 73 73 GLY C C 13 174.06 0.23 . 1 . . . . . . . . 4272 1 630 . 1 1 73 73 GLY CA C 13 45.30 0.23 . 1 . . . . . . . . 4272 1 631 . 1 1 73 73 GLY N N 15 108.02 0.16 . 1 . . . . . . . . 4272 1 632 . 1 1 74 74 ALA H H 1 8.01 0.03 . 1 . . . . . . . . 4272 1 633 . 1 1 74 74 ALA HA H 1 4.30 0.03 . 1 . . . . . . . . 4272 1 634 . 1 1 74 74 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 635 . 1 1 74 74 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 636 . 1 1 74 74 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4272 1 637 . 1 1 74 74 ALA C C 13 177.98 0.23 . 1 . . . . . . . . 4272 1 638 . 1 1 74 74 ALA CA C 13 52.70 0.23 . 1 . . . . . . . . 4272 1 639 . 1 1 74 74 ALA CB C 13 19.10 0.23 . 1 . . . . . . . . 4272 1 640 . 1 1 74 74 ALA N N 15 123.406 0.16 . 1 . . . . . . . . 4272 1 641 . 1 1 75 75 SER H H 1 8.28 0.03 . 1 . . . . . . . . 4272 1 642 . 1 1 75 75 SER HA H 1 4.36 0.03 . 1 . . . . . . . . 4272 1 643 . 1 1 75 75 SER HB2 H 1 3.85 0.03 . 2 . . . . . . . . 4272 1 644 . 1 1 75 75 SER HB3 H 1 3.80 0.03 . 2 . . . . . . . . 4272 1 645 . 1 1 75 75 SER C C 13 174.82 0.23 . 1 . . . . . . . . 4272 1 646 . 1 1 75 75 SER CA C 13 58.27 0.23 . 1 . . . . . . . . 4272 1 647 . 1 1 75 75 SER CB C 13 63.35 0.23 . 1 . . . . . . . . 4272 1 648 . 1 1 75 75 SER N N 15 114.691 0.16 . 1 . . . . . . . . 4272 1 649 . 1 1 76 76 GLN H H 1 8.31 0.03 . 1 . . . . . . . . 4272 1 650 . 1 1 76 76 GLN HA H 1 4.23 0.03 . 1 . . . . . . . . 4272 1 651 . 1 1 76 76 GLN HB2 H 1 2.02 0.03 . 2 . . . . . . . . 4272 1 652 . 1 1 76 76 GLN HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4272 1 653 . 1 1 76 76 GLN HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4272 1 654 . 1 1 76 76 GLN C C 13 175.77 0.23 . 1 . . . . . . . . 4272 1 655 . 1 1 76 76 GLN CA C 13 56.18 0.23 . 1 . . . . . . . . 4272 1 656 . 1 1 76 76 GLN CB C 13 28.95 0.23 . 1 . . . . . . . . 4272 1 657 . 1 1 76 76 GLN CG C 13 33.51 0.23 . 4 . . . . . . . . 4272 1 658 . 1 1 76 76 GLN N N 15 121.59 0.16 . 1 . . . . . . . . 4272 1 659 . 1 1 77 77 PHE H H 1 8.04 0.03 . 1 . . . . . . . . 4272 1 660 . 1 1 77 77 PHE HA H 1 4.55 0.03 . 1 . . . . . . . . 4272 1 661 . 1 1 77 77 PHE HB2 H 1 3.14 0.03 . 2 . . . . . . . . 4272 1 662 . 1 1 77 77 PHE HB3 H 1 2.94 0.03 . 2 . . . . . . . . 4272 1 663 . 1 1 77 77 PHE C C 13 175.75 0.23 . 1 . . . . . . . . 4272 1 664 . 1 1 77 77 PHE CA C 13 57.65 0.23 . 1 . . . . . . . . 4272 1 665 . 1 1 77 77 PHE CB C 13 39.27 0.23 . 1 . . . . . . . . 4272 1 666 . 1 1 77 77 PHE N N 15 119.667 0.16 . 1 . . . . . . . . 4272 1 667 . 1 1 78 78 GLU H H 1 8.14 0.03 . 1 . . . . . . . . 4272 1 668 . 1 1 78 78 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 4272 1 669 . 1 1 78 78 GLU HB2 H 1 2.03 0.03 . 2 . . . . . . . . 4272 1 670 . 1 1 78 78 GLU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4272 1 671 . 1 1 78 78 GLU HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4272 1 672 . 1 1 78 78 GLU C C 13 176.67 0.23 . 1 . . . . . . . . 4272 1 673 . 1 1 78 78 GLU CA C 13 56.60 0.23 . 1 . . . . . . . . 4272 1 674 . 1 1 78 78 GLU CB C 13 30.41 0.23 . 1 . . . . . . . . 4272 1 675 . 1 1 78 78 GLU CG C 13 36.25 0.23 . 4 . . . . . . . . 4272 1 676 . 1 1 78 78 GLU N N 15 121.575 0.16 . 1 . . . . . . . . 4272 1 677 . 1 1 79 79 THR H H 1 8.09 0.03 . 1 . . . . . . . . 4272 1 678 . 1 1 79 79 THR HA H 1 4.28 0.03 . 1 . . . . . . . . 4272 1 679 . 1 1 79 79 THR HB H 1 4.37 0.03 . 1 . . . . . . . . 4272 1 680 . 1 1 79 79 THR HG21 H 1 1.20 0.03 . 2 . . . . . . . . 4272 1 681 . 1 1 79 79 THR HG22 H 1 1.20 0.03 . 2 . . . . . . . . 4272 1 682 . 1 1 79 79 THR HG23 H 1 1.20 0.03 . 2 . . . . . . . . 4272 1 683 . 1 1 79 79 THR C C 13 175.09 0.23 . 1 . . . . . . . . 4272 1 684 . 1 1 79 79 THR CA C 13 61.88 0.23 . 1 . . . . . . . . 4272 1 685 . 1 1 79 79 THR CB C 13 69.48 0.23 . 1 . . . . . . . . 4272 1 686 . 1 1 79 79 THR CG2 C 13 21.74 0.23 . 1 . . . . . . . . 4272 1 687 . 1 1 79 79 THR N N 15 114.311 0.16 . 1 . . . . . . . . 4272 1 688 . 1 1 80 80 SER H H 1 8.40 0.03 . 1 . . . . . . . . 4272 1 689 . 1 1 80 80 SER HA H 1 4.27 0.03 . 1 . . . . . . . . 4272 1 690 . 1 1 80 80 SER HB2 H 1 3.91 0.03 . 2 . . . . . . . . 4272 1 691 . 1 1 80 80 SER C C 13 175.28 0.23 . 1 . . . . . . . . 4272 1 692 . 1 1 80 80 SER CA C 13 59.43 0.23 . 1 . . . . . . . . 4272 1 693 . 1 1 80 80 SER CB C 13 62.99 0.23 . 1 . . . . . . . . 4272 1 694 . 1 1 80 80 SER N N 15 117.514 0.16 . 1 . . . . . . . . 4272 1 695 . 1 1 81 81 ALA H H 1 8.25 0.03 . 1 . . . . . . . . 4272 1 696 . 1 1 81 81 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 4272 1 697 . 1 1 81 81 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 4272 1 698 . 1 1 81 81 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4272 1 699 . 1 1 81 81 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4272 1 700 . 1 1 81 81 ALA C C 13 178.71 0.23 . 1 . . . . . . . . 4272 1 701 . 1 1 81 81 ALA CA C 13 53.52 0.23 . 1 . . . . . . . . 4272 1 702 . 1 1 81 81 ALA CB C 13 18.45 0.23 . 1 . . . . . . . . 4272 1 703 . 1 1 81 81 ALA N N 15 124.82 0.16 . 1 . . . . . . . . 4272 1 704 . 1 1 82 82 ALA H H 1 7.96 0.03 . 1 . . . . . . . . 4272 1 705 . 1 1 82 82 ALA HA H 1 4.08 0.03 . 1 . . . . . . . . 4272 1 706 . 1 1 82 82 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 4272 1 707 . 1 1 82 82 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 4272 1 708 . 1 1 82 82 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 4272 1 709 . 1 1 82 82 ALA C C 13 179.04 0.23 . 1 . . . . . . . . 4272 1 710 . 1 1 82 82 ALA CA C 13 53.63 0.23 . 1 . . . . . . . . 4272 1 711 . 1 1 82 82 ALA CB C 13 18.60 0.23 . 1 . . . . . . . . 4272 1 712 . 1 1 82 82 ALA N N 15 121.283 0.16 . 1 . . . . . . . . 4272 1 713 . 1 1 83 83 LYS H H 1 7.90 0.03 . 1 . . . . . . . . 4272 1 714 . 1 1 83 83 LYS HA H 1 4.05 0.03 . 1 . . . . . . . . 4272 1 715 . 1 1 83 83 LYS HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4272 1 716 . 1 1 83 83 LYS C C 13 177.59 0.23 . 1 . . . . . . . . 4272 1 717 . 1 1 83 83 LYS CA C 13 57.50 0.23 . 1 . . . . . . . . 4272 1 718 . 1 1 83 83 LYS CB C 13 32.44 0.23 . 1 . . . . . . . . 4272 1 719 . 1 1 83 83 LYS CG C 13 25.19 0.23 . 4 . . . . . . . . 4272 1 720 . 1 1 83 83 LYS CD C 13 29.21 0.23 . 4 . . . . . . . . 4272 1 721 . 1 1 83 83 LYS N N 15 118.468 0.16 . 1 . . . . . . . . 4272 1 722 . 1 1 84 84 LEU H H 1 7.82 0.03 . 1 . . . . . . . . 4272 1 723 . 1 1 84 84 LEU HA H 1 4.17 0.03 . 1 . . . . . . . . 4272 1 724 . 1 1 84 84 LEU HB2 H 1 1.66 0.03 . 2 . . . . . . . . 4272 1 725 . 1 1 84 84 LEU HB3 H 1 1.54 0.03 . 2 . . . . . . . . 4272 1 726 . 1 1 84 84 LEU C C 13 177.75 0.23 . 1 . . . . . . . . 4272 1 727 . 1 1 84 84 LEU CA C 13 55.75 0.23 . 1 . . . . . . . . 4272 1 728 . 1 1 84 84 LEU CB C 13 41.99 0.23 . 1 . . . . . . . . 4272 1 729 . 1 1 84 84 LEU CG C 13 26.97 0.23 . 1 . . . . . . . . 4272 1 730 . 1 1 84 84 LEU CD1 C 13 24.90 0.23 . 2 . . . . . . . . 4272 1 731 . 1 1 84 84 LEU CD2 C 13 23.40 0.23 . 2 . . . . . . . . 4272 1 732 . 1 1 84 84 LEU N N 15 120.512 0.16 . 1 . . . . . . . . 4272 1 733 . 1 1 85 85 LYS H H 1 7.89 0.03 . 1 . . . . . . . . 4272 1 734 . 1 1 85 85 LYS HA H 1 4.12 0.03 . 1 . . . . . . . . 4272 1 735 . 1 1 85 85 LYS HB2 H 1 1.73 0.03 . 4 . . . . . . . . 4272 1 736 . 1 1 85 85 LYS C C 13 176.94 0.23 . 1 . . . . . . . . 4272 1 737 . 1 1 85 85 LYS CA C 13 57.00 0.23 . 1 . . . . . . . . 4272 1 738 . 1 1 85 85 LYS CB C 13 32.47 0.23 . 1 . . . . . . . . 4272 1 739 . 1 1 85 85 LYS CG C 13 24.90 0.23 . 4 . . . . . . . . 4272 1 740 . 1 1 85 85 LYS CD C 13 29.10 0.23 . 4 . . . . . . . . 4272 1 741 . 1 1 85 85 LYS N N 15 119.976 0.16 . 1 . . . . . . . . 4272 1 742 . 1 1 86 86 ARG H H 1 7.87 0.03 . 1 . . . . . . . . 4272 1 743 . 1 1 86 86 ARG HA H 1 4.07 0.03 . 1 . . . . . . . . 4272 1 744 . 1 1 86 86 ARG HB2 H 1 1.70 0.03 . 4 . . . . . . . . 4272 1 745 . 1 1 86 86 ARG C C 13 176.38 0.23 . 1 . . . . . . . . 4272 1 746 . 1 1 86 86 ARG CA C 13 56.60 0.23 . 1 . . . . . . . . 4272 1 747 . 1 1 86 86 ARG CB C 13 30.42 0.23 . 1 . . . . . . . . 4272 1 748 . 1 1 86 86 ARG CG C 13 27.13 0.23 . 1 . . . . . . . . 4272 1 749 . 1 1 86 86 ARG CD C 13 43.22 0.23 . 1 . . . . . . . . 4272 1 750 . 1 1 86 86 ARG N N 15 119.976 0.16 . 1 . . . . . . . . 4272 1 751 . 1 1 87 87 LYS H H 1 7.95 0.03 . 1 . . . . . . . . 4272 1 752 . 1 1 87 87 LYS HA H 1 4.05 0.03 . 1 . . . . . . . . 4272 1 753 . 1 1 87 87 LYS HB2 H 1 1.51 0.03 . 4 . . . . . . . . 4272 1 754 . 1 1 87 87 LYS C C 13 176.64 0.23 . 1 . . . . . . . . 4272 1 755 . 1 1 87 87 LYS CA C 13 56.78 0.23 . 1 . . . . . . . . 4272 1 756 . 1 1 87 87 LYS CB C 13 32.67 0.23 . 1 . . . . . . . . 4272 1 757 . 1 1 87 87 LYS CG C 13 24.77 0.23 . 4 . . . . . . . . 4272 1 758 . 1 1 87 87 LYS CD C 13 29.12 0.23 . 4 . . . . . . . . 4272 1 759 . 1 1 87 87 LYS N N 15 120.758 0.16 . 1 . . . . . . . . 4272 1 760 . 1 1 88 88 TYR H H 1 7.94 0.03 . 1 . . . . . . . . 4272 1 761 . 1 1 88 88 TYR HA H 1 4.15 0.03 . 1 . . . . . . . . 4272 1 762 . 1 1 88 88 TYR HB2 H 1 2.65 0.03 . 2 . . . . . . . . 4272 1 763 . 1 1 88 88 TYR C C 13 175.98 0.23 . 1 . . . . . . . . 4272 1 764 . 1 1 88 88 TYR CA C 13 57.05 0.23 . 1 . . . . . . . . 4272 1 765 . 1 1 88 88 TYR CB C 13 37.67 0.23 . 1 . . . . . . . . 4272 1 766 . 1 1 88 88 TYR N N 15 118.569 0.16 . 1 . . . . . . . . 4272 1 767 . 1 1 89 89 TRP H H 1 7.65 0.03 . 1 . . . . . . . . 4272 1 768 . 1 1 89 89 TRP HA H 1 4.41 0.03 . 1 . . . . . . . . 4272 1 769 . 1 1 89 89 TRP HB2 H 1 3.23 0.03 . 2 . . . . . . . . 4272 1 770 . 1 1 89 89 TRP C C 13 176.09 0.23 . 1 . . . . . . . . 4272 1 771 . 1 1 89 89 TRP CA C 13 57.55 0.23 . 1 . . . . . . . . 4272 1 772 . 1 1 89 89 TRP CB C 13 29.13 0.23 . 1 . . . . . . . . 4272 1 773 . 1 1 89 89 TRP N N 15 120.947 0.16 . 1 . . . . . . . . 4272 1 774 . 1 1 90 90 TRP H H 1 7.23 0.03 . 1 . . . . . . . . 4272 1 775 . 1 1 90 90 TRP HA H 1 4.31 0.03 . 1 . . . . . . . . 4272 1 776 . 1 1 90 90 TRP HB2 H 1 3.06 0.03 . 2 . . . . . . . . 4272 1 777 . 1 1 90 90 TRP HB3 H 1 2.64 0.03 . 2 . . . . . . . . 4272 1 778 . 1 1 90 90 TRP C C 13 176.04 0.23 . 1 . . . . . . . . 4272 1 779 . 1 1 90 90 TRP CA C 13 57.39 0.23 . 1 . . . . . . . . 4272 1 780 . 1 1 90 90 TRP CB C 13 28.52 0.23 . 1 . . . . . . . . 4272 1 781 . 1 1 90 90 TRP N N 15 120.323 0.16 . 1 . . . . . . . . 4272 1 782 . 1 1 91 91 LYS H H 1 7.49 0.03 . 1 . . . . . . . . 4272 1 783 . 1 1 91 91 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 4272 1 784 . 1 1 91 91 LYS HB2 H 1 1.41 0.03 . 4 . . . . . . . . 4272 1 785 . 1 1 91 91 LYS C C 13 175.94 0.23 . 1 . . . . . . . . 4272 1 786 . 1 1 91 91 LYS CA C 13 56.77 0.23 . 1 . . . . . . . . 4272 1 787 . 1 1 91 91 LYS CB C 13 32.60 0.23 . 1 . . . . . . . . 4272 1 788 . 1 1 91 91 LYS CG C 13 24.80 0.23 . 1 . . . . . . . . 4272 1 789 . 1 1 91 91 LYS CD C 13 29.23 0.23 . 1 . . . . . . . . 4272 1 790 . 1 1 91 91 LYS N N 15 121.173 0.16 . 1 . . . . . . . . 4272 1 791 . 1 1 92 92 ASN H H 1 8.02 0.03 . 1 . . . . . . . . 4272 1 792 . 1 1 92 92 ASN HA H 1 4.57 0.03 . 1 . . . . . . . . 4272 1 793 . 1 1 92 92 ASN HB2 H 1 2.80 0.03 . 2 . . . . . . . . 4272 1 794 . 1 1 92 92 ASN HB3 H 1 2.61 0.03 . 2 . . . . . . . . 4272 1 795 . 1 1 92 92 ASN C C 13 174.90 0.23 . 1 . . . . . . . . 4272 1 796 . 1 1 92 92 ASN CA C 13 52.99 0.23 . 1 . . . . . . . . 4272 1 797 . 1 1 92 92 ASN CB C 13 38.55 0.23 . 1 . . . . . . . . 4272 1 798 . 1 1 92 92 ASN N N 15 118.024 0.16 . 1 . . . . . . . . 4272 1 799 . 1 1 93 93 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 4272 1 800 . 1 1 93 93 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 801 . 1 1 93 93 LEU HB2 H 1 1.57 0.03 . 2 . . . . . . . . 4272 1 802 . 1 1 93 93 LEU HB3 H 1 1.54 0.03 . 2 . . . . . . . . 4272 1 803 . 1 1 93 93 LEU C C 13 177.01 0.23 . 1 . . . . . . . . 4272 1 804 . 1 1 93 93 LEU CA C 13 55.15 0.23 . 1 . . . . . . . . 4272 1 805 . 1 1 93 93 LEU CB C 13 42.26 0.23 . 1 . . . . . . . . 4272 1 806 . 1 1 93 93 LEU CG C 13 26.80 0.23 . 4 . . . . . . . . 4272 1 807 . 1 1 93 93 LEU CD1 C 13 25.00 0.23 . 2 . . . . . . . . 4272 1 808 . 1 1 93 93 LEU CD2 C 13 23.30 0.23 . 2 . . . . . . . . 4272 1 809 . 1 1 93 93 LEU N N 15 121.84 0.16 . 1 . . . . . . . . 4272 1 810 . 1 1 94 94 LYS H H 1 8.17 0.03 . 1 . . . . . . . . 4272 1 811 . 1 1 94 94 LYS HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 812 . 1 1 94 94 LYS HB2 H 1 1.57 0.03 . 2 . . . . . . . . 4272 1 813 . 1 1 94 94 LYS C C 13 176.11 0.23 . 1 . . . . . . . . 4272 1 814 . 1 1 94 94 LYS CA C 13 55.60 0.23 . 1 . . . . . . . . 4272 1 815 . 1 1 94 94 LYS CB C 13 32.72 0.23 . 1 . . . . . . . . 4272 1 816 . 1 1 94 94 LYS CG C 13 24.67 0.23 . 4 . . . . . . . . 4272 1 817 . 1 1 94 94 LYS N N 15 121.25 0.16 . 1 . . . . . . . . 4272 1 818 . 1 1 95 95 MET H H 1 8.18 0.03 . 1 . . . . . . . . 4272 1 819 . 1 1 95 95 MET HA H 1 4.41 0.03 . 1 . . . . . . . . 4272 1 820 . 1 1 95 95 MET HB2 H 1 2.05 0.03 . 2 . . . . . . . . 4272 1 821 . 1 1 95 95 MET HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4272 1 822 . 1 1 95 95 MET HG2 H 1 2.51 0.03 . 2 . . . . . . . . 4272 1 823 . 1 1 95 95 MET C C 13 175.00 0.23 . 1 . . . . . . . . 4272 1 824 . 1 1 95 95 MET CA C 13 54.81 0.23 . 1 . . . . . . . . 4272 1 825 . 1 1 95 95 MET CB C 13 32.82 0.23 . 1 . . . . . . . . 4272 1 826 . 1 1 95 95 MET N N 15 121.621 0.16 . 1 . . . . . . . . 4272 1 827 . 1 1 96 96 MET H H 1 7.82 0.03 . 1 . . . . . . . . 4272 1 828 . 1 1 96 96 MET HA H 1 4.22 0.03 . 1 . . . . . . . . 4272 1 829 . 1 1 96 96 MET HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4272 1 830 . 1 1 96 96 MET HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4272 1 831 . 1 1 96 96 MET HG2 H 1 2.44 0.03 . 2 . . . . . . . . 4272 1 832 . 1 1 96 96 MET CA C 13 56.76 0.23 . 1 . . . . . . . . 4272 1 833 . 1 1 96 96 MET CB C 13 33.75 0.23 . 1 . . . . . . . . 4272 1 834 . 1 1 96 96 MET N N 15 126.208 0.16 . 1 . . . . . . . . 4272 1 stop_ save_