data_16508 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16508 _Entry.Title ; NMR chemical shift assignments of lipid-bound synaptobrevin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-22 _Entry.Accession_date 2009-09-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jeffrey Ellena . F. . 16508 2 Binyong Liang . . . 16508 3 Maciej Wiktor . . . 16508 4 Alexander Stein . . . 16508 5 David Cafiso . S. . 16508 6 Reinhard Jahn . . . 16508 7 Lukas Tamm . K. . 16508 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16508 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC micelle' . 16508 SNARE . 16508 synaptobrevin . 16508 VAMP2 . 16508 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16508 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 16508 '15N chemical shifts' 106 16508 '1H chemical shifts' 713 16508 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 3 . . 2010-06-03 2009-09-22 update BMRB 'edit assembly name' 16508 2 . . 2010-01-20 2009-09-22 update BMRB 'complete entry citation' 16508 1 . . 2009-11-20 2009-09-22 original author 'original release' 16508 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16508 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19918058 _Citation.Full_citation . _Citation.Title 'Dynamic structure of lipid-bound synaptobrevin suggests a nucleation-propagation mechanism for trans-SNARE complex formation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 48 _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 20306 _Citation.Page_last 20311 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Ellena . F. . 16508 1 2 Binyong Liang . . . 16508 1 3 Maciej Wiktor . . . 16508 1 4 Alexander Stein . . . 16508 1 5 David Cafiso . S. . 16508 1 6 Reinhard Jahn . . . 16508 1 7 Lukas Tamm . K. . 16508 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16508 _Assembly.ID 1 _Assembly.Name synaptobrevin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 synaptobrevin 1 $synaptobrevin A . yes native no no . . . 16508 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_synaptobrevin _Entity.Sf_category entity _Entity.Sf_framecode synaptobrevin _Entity.Entry_ID 16508 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name synaptobrevin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSATAATVPPAAPAGEGGPP APPPNLTSNRRLQQTQAQVD EVVDIMRVNVDKVLERDQKL SELDDRADALQAGASQFETS AAKLKRKYWWKNLKMMIILG VICAIILIIIIVYFST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12703.840 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16514 . syb96 . . . . . 82.76 96 100.00 100.00 4.89e-62 . . . . 16508 1 2 no BMRB 4272 . synaptobrevinII . . . . . 82.76 96 98.96 98.96 1.73e-61 . . . . 16508 1 3 no PDB 1KIL . "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" . . . . . 56.03 66 100.00 100.00 1.35e-37 . . . . 16508 1 4 no PDB 1N7S . "High Resolution Structure Of A Truncated Neuronal Snare Complex" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 5 no PDB 1SFC . "Neuronal Synaptic Fusion Complex" . . . . . 82.76 96 100.00 100.00 4.89e-62 . . . . 16508 1 6 no PDB 2KOG . "Lipid-Bound Synaptobrevin Solution Nmr Structure" . . . . . 100.00 119 100.00 100.00 1.70e-77 . . . . 16508 1 7 no PDB 2N1T . "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" . . . . . 59.48 69 100.00 100.00 8.64e-41 . . . . 16508 1 8 no PDB 3HD7 . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" . . . . . 75.00 91 100.00 100.00 9.79e-55 . . . . 16508 1 9 no PDB 3IPD . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" . . . . . 75.00 91 100.00 100.00 9.79e-55 . . . . 16508 1 10 no PDB 3J96 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state I)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 11 no PDB 3J97 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Ii)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 12 no PDB 3J98 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiia)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 13 no PDB 3J99 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiib)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 14 no PDB 5CCG . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (long Unit Cell Form)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 15 no PDB 5CCH . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 16 no PDB 5CCI . "Structure Of The Mg2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 53.45 63 100.00 100.00 1.39e-34 . . . . 16508 1 17 no DBJ BAC41125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 116 100.00 100.00 2.07e-77 . . . . 16508 1 18 no DBJ BAE90084 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 116 99.14 99.14 8.86e-77 . . . . 16508 1 19 no DBJ BAF82244 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 116 99.14 99.14 8.86e-77 . . . . 16508 1 20 no DBJ BAG73857 . "vesicle-associated membrane protein 2 [synthetic construct]" . . . . . 99.14 118 99.13 99.13 7.67e-76 . . . . 16508 1 21 no EMBL CAA12385 . "vesicle associated membrane protein 2 [Homo sapiens]" . . . . . 100.00 116 98.28 99.14 2.64e-76 . . . . 16508 1 22 no EMBL CAA53792 . "synaptobrevin [Bos taurus]" . . . . . 100.00 116 98.28 99.14 2.64e-76 . . . . 16508 1 23 no EMBL CAB43509 . "vesicle associated membrane protein 2B [Rattus norvegicus]" . . . . . 99.14 135 97.39 98.26 1.33e-72 . . . . 16508 1 24 no GB AAA42321 . "vesicle associated membrane protein VAMP-2 [Rattus norvegicus]" . . . . . 100.00 116 100.00 100.00 2.07e-77 . . . . 16508 1 25 no GB AAA60604 . "synaptobrevin 2 (SYB2) [Homo sapiens]" . . . . . 100.00 116 98.28 99.14 2.64e-76 . . . . 16508 1 26 no GB AAB03463 . "VAMP-2 [Mus musculus]" . . . . . 100.00 116 100.00 100.00 2.07e-77 . . . . 16508 1 27 no GB AAB62931 . "vesicle associated membrane protein 2 [Mus musculus]" . . . . . 100.00 116 99.14 100.00 5.42e-77 . . . . 16508 1 28 no GB AAF15551 . "synaptobrevin 2 [Homo sapiens]" . . . . . 100.00 116 98.28 99.14 2.64e-76 . . . . 16508 1 29 no REF NP_001027992 . "vesicle-associated membrane protein 2 [Macaca mulatta]" . . . . . 100.00 116 99.14 99.14 8.86e-77 . . . . 16508 1 30 no REF NP_001034578 . "vesicle-associated membrane protein 3 [Gallus gallus]" . . . . . 58.62 104 97.06 97.06 9.44e-38 . . . . 16508 1 31 no REF NP_001088233 . "vesicle-associated membrane protein 1 (synaptobrevin 1) [Xenopus laevis]" . . . . . 57.76 101 98.51 98.51 7.53e-38 . . . . 16508 1 32 no REF NP_001272142 . "uncharacterized protein LOC101864935 [Macaca fascicularis]" . . . . . 100.00 116 99.14 99.14 8.86e-77 . . . . 16508 1 33 no REF NP_033523 . "vesicle-associated membrane protein 2 [Mus musculus]" . . . . . 100.00 116 100.00 100.00 2.07e-77 . . . . 16508 1 34 no SP P63026 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 98.28 99.14 2.64e-76 . . . . 16508 1 35 no SP P63027 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 99.14 99.14 8.86e-77 . . . . 16508 1 36 no SP P63044 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 2.07e-77 . . . . 16508 1 37 no SP P63045 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 2.07e-77 . . . . 16508 1 38 no SP Q9N0Y0 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 99.14 99.14 8.86e-77 . . . . 16508 1 39 no TPG DAA18807 . "TPA: vesicle-associated membrane protein 2 [Bos taurus]" . . . . . 100.00 116 98.28 99.14 2.64e-76 . . . . 16508 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 . 16508 1 2 . SER . 16508 1 3 . ALA . 16508 1 4 . THR . 16508 1 5 . ALA . 16508 1 6 . ALA . 16508 1 7 . THR . 16508 1 8 . VAL . 16508 1 9 . PRO . 16508 1 10 . PRO . 16508 1 11 . ALA . 16508 1 12 . ALA . 16508 1 13 . PRO . 16508 1 14 . ALA . 16508 1 15 . GLY . 16508 1 16 . GLU . 16508 1 17 . GLY . 16508 1 18 . GLY . 16508 1 19 . PRO . 16508 1 20 . PRO . 16508 1 21 . ALA . 16508 1 22 . PRO . 16508 1 23 . PRO . 16508 1 24 . PRO . 16508 1 25 . ASN . 16508 1 26 . LEU . 16508 1 27 . THR . 16508 1 28 . SER . 16508 1 29 . ASN . 16508 1 30 . ARG . 16508 1 31 . ARG . 16508 1 32 . LEU . 16508 1 33 . GLN . 16508 1 34 . GLN . 16508 1 35 . THR . 16508 1 36 . GLN . 16508 1 37 . ALA . 16508 1 38 . GLN . 16508 1 39 . VAL . 16508 1 40 . ASP . 16508 1 41 . GLU . 16508 1 42 . VAL . 16508 1 43 . VAL . 16508 1 44 . ASP . 16508 1 45 . ILE . 16508 1 46 . MET . 16508 1 47 . ARG . 16508 1 48 . VAL . 16508 1 49 . ASN . 16508 1 50 . VAL . 16508 1 51 . ASP . 16508 1 52 . LYS . 16508 1 53 . VAL . 16508 1 54 . LEU . 16508 1 55 . GLU . 16508 1 56 . ARG . 16508 1 57 . ASP . 16508 1 58 . GLN . 16508 1 59 . LYS . 16508 1 60 . LEU . 16508 1 61 . SER . 16508 1 62 . GLU . 16508 1 63 . LEU . 16508 1 64 . ASP . 16508 1 65 . ASP . 16508 1 66 . ARG . 16508 1 67 . ALA . 16508 1 68 . ASP . 16508 1 69 . ALA . 16508 1 70 . LEU . 16508 1 71 . GLN . 16508 1 72 . ALA . 16508 1 73 . GLY . 16508 1 74 . ALA . 16508 1 75 . SER . 16508 1 76 . GLN . 16508 1 77 . PHE . 16508 1 78 . GLU . 16508 1 79 . THR . 16508 1 80 . SER . 16508 1 81 . ALA . 16508 1 82 . ALA . 16508 1 83 . LYS . 16508 1 84 . LEU . 16508 1 85 . LYS . 16508 1 86 . ARG . 16508 1 87 . LYS . 16508 1 88 . TYR . 16508 1 89 . TRP . 16508 1 90 . TRP . 16508 1 91 . LYS . 16508 1 92 . ASN . 16508 1 93 . LEU . 16508 1 94 . LYS . 16508 1 95 . MET . 16508 1 96 . MET . 16508 1 97 . ILE . 16508 1 98 . ILE . 16508 1 99 . LEU . 16508 1 100 . GLY . 16508 1 101 . VAL . 16508 1 102 . ILE . 16508 1 103 . CYS . 16508 1 104 . ALA . 16508 1 105 . ILE . 16508 1 106 . ILE . 16508 1 107 . LEU . 16508 1 108 . ILE . 16508 1 109 . ILE . 16508 1 110 . ILE . 16508 1 111 . ILE . 16508 1 112 . VAL . 16508 1 113 . TYR . 16508 1 114 . PHE . 16508 1 115 . SER . 16508 1 116 . THR . 16508 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 16508 1 . SER 2 2 16508 1 . ALA 3 3 16508 1 . THR 4 4 16508 1 . ALA 5 5 16508 1 . ALA 6 6 16508 1 . THR 7 7 16508 1 . VAL 8 8 16508 1 . PRO 9 9 16508 1 . PRO 10 10 16508 1 . ALA 11 11 16508 1 . ALA 12 12 16508 1 . PRO 13 13 16508 1 . ALA 14 14 16508 1 . GLY 15 15 16508 1 . GLU 16 16 16508 1 . GLY 17 17 16508 1 . GLY 18 18 16508 1 . PRO 19 19 16508 1 . PRO 20 20 16508 1 . ALA 21 21 16508 1 . PRO 22 22 16508 1 . PRO 23 23 16508 1 . PRO 24 24 16508 1 . ASN 25 25 16508 1 . LEU 26 26 16508 1 . THR 27 27 16508 1 . SER 28 28 16508 1 . ASN 29 29 16508 1 . ARG 30 30 16508 1 . ARG 31 31 16508 1 . LEU 32 32 16508 1 . GLN 33 33 16508 1 . GLN 34 34 16508 1 . THR 35 35 16508 1 . GLN 36 36 16508 1 . ALA 37 37 16508 1 . GLN 38 38 16508 1 . VAL 39 39 16508 1 . ASP 40 40 16508 1 . GLU 41 41 16508 1 . VAL 42 42 16508 1 . VAL 43 43 16508 1 . ASP 44 44 16508 1 . ILE 45 45 16508 1 . MET 46 46 16508 1 . ARG 47 47 16508 1 . VAL 48 48 16508 1 . ASN 49 49 16508 1 . VAL 50 50 16508 1 . ASP 51 51 16508 1 . LYS 52 52 16508 1 . VAL 53 53 16508 1 . LEU 54 54 16508 1 . GLU 55 55 16508 1 . ARG 56 56 16508 1 . ASP 57 57 16508 1 . GLN 58 58 16508 1 . LYS 59 59 16508 1 . LEU 60 60 16508 1 . SER 61 61 16508 1 . GLU 62 62 16508 1 . LEU 63 63 16508 1 . ASP 64 64 16508 1 . ASP 65 65 16508 1 . ARG 66 66 16508 1 . ALA 67 67 16508 1 . ASP 68 68 16508 1 . ALA 69 69 16508 1 . LEU 70 70 16508 1 . GLN 71 71 16508 1 . ALA 72 72 16508 1 . GLY 73 73 16508 1 . ALA 74 74 16508 1 . SER 75 75 16508 1 . GLN 76 76 16508 1 . PHE 77 77 16508 1 . GLU 78 78 16508 1 . THR 79 79 16508 1 . SER 80 80 16508 1 . ALA 81 81 16508 1 . ALA 82 82 16508 1 . LYS 83 83 16508 1 . LEU 84 84 16508 1 . LYS 85 85 16508 1 . ARG 86 86 16508 1 . LYS 87 87 16508 1 . TYR 88 88 16508 1 . TRP 89 89 16508 1 . TRP 90 90 16508 1 . LYS 91 91 16508 1 . ASN 92 92 16508 1 . LEU 93 93 16508 1 . LYS 94 94 16508 1 . MET 95 95 16508 1 . MET 96 96 16508 1 . ILE 97 97 16508 1 . ILE 98 98 16508 1 . LEU 99 99 16508 1 . GLY 100 100 16508 1 . VAL 101 101 16508 1 . ILE 102 102 16508 1 . CYS 103 103 16508 1 . ALA 104 104 16508 1 . ILE 105 105 16508 1 . ILE 106 106 16508 1 . LEU 107 107 16508 1 . ILE 108 108 16508 1 . ILE 109 109 16508 1 . ILE 110 110 16508 1 . ILE 111 111 16508 1 . VAL 112 112 16508 1 . TYR 113 113 16508 1 . PHE 114 114 16508 1 . SER 115 115 16508 1 . THR 116 116 16508 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 16508 _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 $synaptobrevin . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16508 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 16508 _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 $synaptobrevin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 16508 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16508 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 synaptobrevin '[U-99% 13C; U-99% 15N]' . . 1 $synaptobrevin . . 1 . . mM . . . . 16508 1 2 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 16508 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16508 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16508 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16508 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16508 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16508 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16508 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16508 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16508 1 pH 6 . pH 16508 1 pressure 1 . atm 16508 1 temperature 318 . K 16508 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16508 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16508 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16508 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16508 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16508 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16508 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16508 _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 spectrometer_1 Varian INOVA . 600 . . . 16508 1 2 spectrometer_2 Bruker Avance . 800 . . . 16508 1 3 spectrometer_3 Bruker Avance . 600 . . . 16508 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 16508 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16508 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16508 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16508 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16508 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16508 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16508 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16508 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16508 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16508 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 16508 1 2 '3D HNCA' . . . 16508 1 3 '3D HNCACB' . . . 16508 1 4 '3D HNCO' . . . 16508 1 5 '3D HN(CA)CO' . . . 16508 1 6 '3D CBCA(CO)NH' . . . 16508 1 7 '3D HNHA' . . . 16508 1 8 '3D 1H-15N NOESY' . . . 16508 1 9 '3D H(CCO)NH' . . . 16508 1 10 '3D HCCH-TOCSY' . . . 16508 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 HB2 H 1 2.079 0.000 . 2 . . . . 1 M QB . 16508 1 2 . 1 1 1 1 MET HB3 H 1 2.079 0.000 . 2 . . . . 1 M QB . 16508 1 3 . 1 1 1 1 MET HE1 H 1 1.990 0.000 . 1 . . . . 1 M QE . 16508 1 4 . 1 1 1 1 MET HE2 H 1 1.990 0.000 . 1 . . . . 1 M QE . 16508 1 5 . 1 1 1 1 MET HE3 H 1 1.990 0.000 . 1 . . . . 1 M QE . 16508 1 6 . 1 1 1 1 MET HG2 H 1 2.763 0.000 . 2 . . . . 1 M HG2 . 16508 1 7 . 1 1 1 1 MET HG3 H 1 2.662 0.000 . 2 . . . . 1 M HG3 . 16508 1 8 . 1 1 1 1 MET C C 13 175.980 0.020 . 1 . . . . 1 M C . 16508 1 9 . 1 1 1 1 MET CA C 13 55.628 0.070 . 1 . . . . 1 M CA . 16508 1 10 . 1 1 1 1 MET CB C 13 32.885 0.060 . 1 . . . . 1 M CB . 16508 1 11 . 1 1 2 2 SER H H 1 8.246 0.004 . 1 . . . . 2 S H . 16508 1 12 . 1 1 2 2 SER HA H 1 4.489 0.000 . 1 . . . . 2 S HA . 16508 1 13 . 1 1 2 2 SER HB2 H 1 3.879 0.000 . 2 . . . . 2 S QB . 16508 1 14 . 1 1 2 2 SER HB3 H 1 3.879 0.000 . 2 . . . . 2 S QB . 16508 1 15 . 1 1 2 2 SER C C 13 174.287 0.001 . 1 . . . . 2 S C . 16508 1 16 . 1 1 2 2 SER CA C 13 58.299 0.034 . 1 . . . . 2 S CA . 16508 1 17 . 1 1 2 2 SER CB C 13 63.981 0.057 . 1 . . . . 2 S CB . 16508 1 18 . 1 1 2 2 SER N N 15 116.943 0.032 . 1 . . . . 2 S N . 16508 1 19 . 1 1 3 3 ALA H H 1 8.324 0.005 . 1 . . . . 3 A H . 16508 1 20 . 1 1 3 3 ALA HA H 1 4.272 0.005 . 1 . . . . 3 A HA . 16508 1 21 . 1 1 3 3 ALA HB1 H 1 1.434 0.000 . 1 . . . . 3 A QB . 16508 1 22 . 1 1 3 3 ALA HB2 H 1 1.434 0.000 . 1 . . . . 3 A QB . 16508 1 23 . 1 1 3 3 ALA HB3 H 1 1.434 0.000 . 1 . . . . 3 A QB . 16508 1 24 . 1 1 3 3 ALA C C 13 177.828 0.008 . 1 . . . . 3 A C . 16508 1 25 . 1 1 3 3 ALA CA C 13 52.860 0.046 . 1 . . . . 3 A CA . 16508 1 26 . 1 1 3 3 ALA CB C 13 19.410 0.040 . 1 . . . . 3 A CB . 16508 1 27 . 1 1 3 3 ALA N N 15 126.020 0.069 . 1 . . . . 3 A N . 16508 1 28 . 1 1 4 4 THR H H 1 7.978 0.004 . 1 . . . . 4 T H . 16508 1 29 . 1 1 4 4 THR HA H 1 4.333 0.000 . 1 . . . . 4 T HA . 16508 1 30 . 1 1 4 4 THR HB H 1 4.452 0.014 . 1 . . . . 4 T HB . 16508 1 31 . 1 1 4 4 THR C C 13 174.300 0.033 . 1 . . . . 4 T C . 16508 1 32 . 1 1 4 4 THR CA C 13 61.793 0.024 . 1 . . . . 4 T CA . 16508 1 33 . 1 1 4 4 THR CB C 13 69.904 0.053 . 1 . . . . 4 T CB . 16508 1 34 . 1 1 4 4 THR N N 15 112.495 0.037 . 1 . . . . 4 T N . 16508 1 35 . 1 1 5 5 ALA H H 1 8.103 0.003 . 1 . . . . 5 A H . 16508 1 36 . 1 1 5 5 ALA HA H 1 4.329 0.009 . 1 . . . . 5 A HA . 16508 1 37 . 1 1 5 5 ALA HB1 H 1 1.408 0.001 . 1 . . . . 5 A QB . 16508 1 38 . 1 1 5 5 ALA HB2 H 1 1.408 0.001 . 1 . . . . 5 A QB . 16508 1 39 . 1 1 5 5 ALA HB3 H 1 1.408 0.001 . 1 . . . . 5 A QB . 16508 1 40 . 1 1 5 5 ALA C C 13 177.149 0.007 . 1 . . . . 5 A C . 16508 1 41 . 1 1 5 5 ALA CA C 13 52.531 0.072 . 1 . . . . 5 A CA . 16508 1 42 . 1 1 5 5 ALA CB C 13 19.412 0.073 . 1 . . . . 5 A CB . 16508 1 43 . 1 1 5 5 ALA N N 15 126.096 0.028 . 1 . . . . 5 A N . 16508 1 44 . 1 1 6 6 ALA H H 1 8.118 0.004 . 1 . . . . 6 A H . 16508 1 45 . 1 1 6 6 ALA HA H 1 4.380 0.005 . 1 . . . . 6 A HA . 16508 1 46 . 1 1 6 6 ALA HB1 H 1 1.404 0.000 . 1 . . . . 6 A QB . 16508 1 47 . 1 1 6 6 ALA HB2 H 1 1.404 0.000 . 1 . . . . 6 A QB . 16508 1 48 . 1 1 6 6 ALA HB3 H 1 1.404 0.000 . 1 . . . . 6 A QB . 16508 1 49 . 1 1 6 6 ALA C C 13 177.752 0.010 . 1 . . . . 6 A C . 16508 1 50 . 1 1 6 6 ALA CA C 13 52.525 0.045 . 1 . . . . 6 A CA . 16508 1 51 . 1 1 6 6 ALA CB C 13 19.401 0.062 . 1 . . . . 6 A CB . 16508 1 52 . 1 1 6 6 ALA N N 15 122.896 0.061 . 1 . . . . 6 A N . 16508 1 53 . 1 1 7 7 THR H H 1 7.984 0.003 . 1 . . . . 7 T H . 16508 1 54 . 1 1 7 7 THR HA H 1 4.350 0.015 . 1 . . . . 7 T HA . 16508 1 55 . 1 1 7 7 THR HB H 1 4.021 0.000 . 1 . . . . 7 T HB . 16508 1 56 . 1 1 7 7 THR C C 13 174.205 0.002 . 1 . . . . 7 T C . 16508 1 57 . 1 1 7 7 THR CA C 13 61.801 0.039 . 1 . . . . 7 T CA . 16508 1 58 . 1 1 7 7 THR CB C 13 69.967 0.045 . 1 . . . . 7 T CB . 16508 1 59 . 1 1 7 7 THR N N 15 113.406 0.032 . 1 . . . . 7 T N . 16508 1 60 . 1 1 8 8 VAL H H 1 7.982 0.004 . 1 . . . . 8 V H . 16508 1 61 . 1 1 8 8 VAL HA H 1 4.464 0.008 . 1 . . . . 8 V HA . 16508 1 62 . 1 1 8 8 VAL HB H 1 2.078 0.000 . 1 . . . . 8 V HB . 16508 1 63 . 1 1 8 8 VAL HG11 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1 64 . 1 1 8 8 VAL HG12 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1 65 . 1 1 8 8 VAL HG13 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1 66 . 1 1 8 8 VAL HG21 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1 67 . 1 1 8 8 VAL HG22 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1 68 . 1 1 8 8 VAL HG23 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1 69 . 1 1 8 8 VAL C C 13 173.910 0.000 . 1 . . . . 8 V C . 16508 1 70 . 1 1 8 8 VAL CA C 13 59.735 0.040 . 1 . . . . 8 V CA . 16508 1 71 . 1 1 8 8 VAL CB C 13 32.762 0.015 . 1 . . . . 8 V CB . 16508 1 72 . 1 1 8 8 VAL N N 15 123.576 0.043 . 1 . . . . 8 V N . 16508 1 73 . 1 1 10 10 PRO HA H 1 4.425 0.008 . 1 . . . . 10 P HA . 16508 1 74 . 1 1 10 10 PRO HB2 H 1 2.289 0.000 . 2 . . . . 10 P HB2 . 16508 1 75 . 1 1 10 10 PRO HB3 H 1 2.045 0.000 . 2 . . . . 10 P HB3 . 16508 1 76 . 1 1 10 10 PRO HG2 H 1 1.907 0.013 . 2 . . . . 10 P QG . 16508 1 77 . 1 1 10 10 PRO HG3 H 1 1.907 0.013 . 2 . . . . 10 P QG . 16508 1 78 . 1 1 10 10 PRO C C 13 176.522 0.007 . 1 . . . . 10 P C . 16508 1 79 . 1 1 10 10 PRO CA C 13 62.877 0.026 . 1 . . . . 10 P CA . 16508 1 80 . 1 1 10 10 PRO CB C 13 32.062 0.058 . 1 . . . . 10 P CB . 16508 1 81 . 1 1 10 10 PRO CD C 13 50.597 0.000 . 1 . . . . 10 P CD . 16508 1 82 . 1 1 10 10 PRO CG C 13 27.496 0.000 . 1 . . . . 10 P CG . 16508 1 83 . 1 1 11 11 ALA H H 1 8.128 0.003 . 1 . . . . 11 A H . 16508 1 84 . 1 1 11 11 ALA HA H 1 4.291 0.004 . 1 . . . . 11 A HA . 16508 1 85 . 1 1 11 11 ALA C C 13 177.018 0.018 . 1 . . . . 11 A C . 16508 1 86 . 1 1 11 11 ALA CA C 13 52.140 0.038 . 1 . . . . 11 A CA . 16508 1 87 . 1 1 11 11 ALA CB C 13 19.445 0.046 . 1 . . . . 11 A CB . 16508 1 88 . 1 1 11 11 ALA N N 15 123.897 0.065 . 1 . . . . 11 A N . 16508 1 89 . 1 1 12 12 ALA H H 1 8.101 0.003 . 1 . . . . 12 A H . 16508 1 90 . 1 1 12 12 ALA HA H 1 4.594 0.002 . 1 . . . . 12 A HA . 16508 1 91 . 1 1 12 12 ALA HB1 H 1 1.356 0.003 . 1 . . . . 12 A QB . 16508 1 92 . 1 1 12 12 ALA HB2 H 1 1.356 0.003 . 1 . . . . 12 A QB . 16508 1 93 . 1 1 12 12 ALA HB3 H 1 1.356 0.003 . 1 . . . . 12 A QB . 16508 1 94 . 1 1 12 12 ALA C C 13 175.467 0.000 . 1 . . . . 12 A C . 16508 1 95 . 1 1 12 12 ALA CA C 13 50.334 0.015 . 1 . . . . 12 A CA . 16508 1 96 . 1 1 12 12 ALA CB C 13 18.395 0.029 . 1 . . . . 12 A CB . 16508 1 97 . 1 1 12 12 ALA N N 15 124.330 0.040 . 1 . . . . 12 A N . 16508 1 98 . 1 1 13 13 PRO HA H 1 4.401 0.001 . 1 . . . . 13 P HA . 16508 1 99 . 1 1 13 13 PRO HB2 H 1 2.293 0.000 . 2 . . . . 13 P HB2 . 16508 1 100 . 1 1 13 13 PRO HB3 H 1 2.033 0.000 . 2 . . . . 13 P HB3 . 16508 1 101 . 1 1 13 13 PRO HD2 H 1 3.817 0.000 . 2 . . . . 13 P QD . 16508 1 102 . 1 1 13 13 PRO HD3 H 1 3.817 0.000 . 2 . . . . 13 P QD . 16508 1 103 . 1 1 13 13 PRO HG2 H 1 1.920 0.000 . 2 . . . . 13 P QG . 16508 1 104 . 1 1 13 13 PRO HG3 H 1 1.920 0.000 . 2 . . . . 13 P QG . 16508 1 105 . 1 1 13 13 PRO C C 13 176.736 0.011 . 1 . . . . 13 P C . 16508 1 106 . 1 1 13 13 PRO CA C 13 63.115 0.057 . 1 . . . . 13 P CA . 16508 1 107 . 1 1 13 13 PRO CB C 13 32.023 0.046 . 1 . . . . 13 P CB . 16508 1 108 . 1 1 13 13 PRO CD C 13 50.618 0.000 . 1 . . . . 13 P CD . 16508 1 109 . 1 1 13 13 PRO CG C 13 27.421 0.000 . 1 . . . . 13 P CG . 16508 1 110 . 1 1 14 14 ALA H H 1 8.289 0.004 . 1 . . . . 14 A H . 16508 1 111 . 1 1 14 14 ALA HA H 1 4.324 0.019 . 1 . . . . 14 A HA . 16508 1 112 . 1 1 14 14 ALA HB1 H 1 1.399 0.012 . 1 . . . . 14 A QB . 16508 1 113 . 1 1 14 14 ALA HB2 H 1 1.399 0.012 . 1 . . . . 14 A QB . 16508 1 114 . 1 1 14 14 ALA HB3 H 1 1.399 0.012 . 1 . . . . 14 A QB . 16508 1 115 . 1 1 14 14 ALA C C 13 178.262 0.004 . 1 . . . . 14 A C . 16508 1 116 . 1 1 14 14 ALA CA C 13 52.609 0.045 . 1 . . . . 14 A CA . 16508 1 117 . 1 1 14 14 ALA CB C 13 19.401 0.036 . 1 . . . . 14 A CB . 16508 1 118 . 1 1 14 14 ALA N N 15 124.170 0.045 . 1 . . . . 14 A N . 16508 1 119 . 1 1 15 15 GLY H H 1 8.225 0.004 . 1 . . . . 15 G H . 16508 1 120 . 1 1 15 15 GLY HA2 H 1 3.978 0.008 . 2 . . . . 15 G QA . 16508 1 121 . 1 1 15 15 GLY HA3 H 1 3.978 0.008 . 2 . . . . 15 G QA . 16508 1 122 . 1 1 15 15 GLY C C 13 174.231 0.005 . 1 . . . . 15 G C . 16508 1 123 . 1 1 15 15 GLY CA C 13 45.343 0.017 . 1 . . . . 15 G CA . 16508 1 124 . 1 1 15 15 GLY N N 15 107.979 0.031 . 1 . . . . 15 G N . 16508 1 125 . 1 1 16 16 GLU H H 1 8.223 0.004 . 1 . . . . 16 E H . 16508 1 126 . 1 1 16 16 GLU HA H 1 4.345 0.006 . 1 . . . . 16 E HA . 16508 1 127 . 1 1 16 16 GLU C C 13 177.011 0.008 . 1 . . . . 16 E C . 16508 1 128 . 1 1 16 16 GLU CA C 13 56.701 0.035 . 1 . . . . 16 E CA . 16508 1 129 . 1 1 16 16 GLU CB C 13 30.395 0.024 . 1 . . . . 16 E CB . 16508 1 130 . 1 1 16 16 GLU N N 15 120.555 0.031 . 1 . . . . 16 E N . 16508 1 131 . 1 1 17 17 GLY H H 1 8.394 0.003 . 1 . . . . 17 G H . 16508 1 132 . 1 1 17 17 GLY HA2 H 1 3.986 0.004 . 2 . . . . 17 G QA . 16508 1 133 . 1 1 17 17 GLY HA3 H 1 3.986 0.004 . 2 . . . . 17 G QA . 16508 1 134 . 1 1 17 17 GLY C C 13 174.293 0.007 . 1 . . . . 17 G C . 16508 1 135 . 1 1 17 17 GLY CA C 13 45.337 0.017 . 1 . . . . 17 G CA . 16508 1 136 . 1 1 17 17 GLY N N 15 109.767 0.026 . 1 . . . . 17 G N . 16508 1 137 . 1 1 18 18 GLY H H 1 7.987 0.003 . 1 . . . . 18 G H . 16508 1 138 . 1 1 18 18 GLY HA2 H 1 4.173 0.016 . 2 . . . . 18 G HA2 . 16508 1 139 . 1 1 18 18 GLY HA3 H 1 4.042 0.016 . 2 . . . . 18 G HA3 . 16508 1 140 . 1 1 18 18 GLY C C 13 171.207 0.000 . 1 . . . . 18 G C . 16508 1 141 . 1 1 18 18 GLY CA C 13 44.441 0.025 . 1 . . . . 18 G CA . 16508 1 142 . 1 1 18 18 GLY N N 15 108.711 0.031 . 1 . . . . 18 G N . 16508 1 143 . 1 1 19 19 PRO HD2 H 1 3.656 0.000 . 2 . . . . 19 P QD . 16508 1 144 . 1 1 19 19 PRO HD3 H 1 3.656 0.000 . 2 . . . . 19 P QD . 16508 1 145 . 1 1 20 20 PRO HA H 1 4.427 0.002 . 1 . . . . 20 P HA . 16508 1 146 . 1 1 20 20 PRO HB2 H 1 2.265 0.000 . 2 . . . . 20 P HB2 . 16508 1 147 . 1 1 20 20 PRO HB3 H 1 2.024 0.000 . 2 . . . . 20 P HB3 . 16508 1 148 . 1 1 20 20 PRO HG2 H 1 1.914 0.000 . 2 . . . . 20 P QG . 16508 1 149 . 1 1 20 20 PRO HG3 H 1 1.914 0.000 . 2 . . . . 20 P QG . 16508 1 150 . 1 1 20 20 PRO C C 13 176.291 0.020 . 1 . . . . 20 P C . 16508 1 151 . 1 1 20 20 PRO CA C 13 62.898 0.018 . 1 . . . . 20 P CA . 16508 1 152 . 1 1 20 20 PRO CB C 13 31.955 0.074 . 1 . . . . 20 P CB . 16508 1 153 . 1 1 20 20 PRO CG C 13 27.487 0.000 . 1 . . . . 20 P CG . 16508 1 154 . 1 1 21 21 ALA H H 1 8.163 0.003 . 1 . . . . 21 A H . 16508 1 155 . 1 1 21 21 ALA HA H 1 4.587 0.001 . 1 . . . . 21 A HA . 16508 1 156 . 1 1 21 21 ALA HB1 H 1 1.343 0.000 . 1 . . . . 21 A QB . 16508 1 157 . 1 1 21 21 ALA HB2 H 1 1.343 0.000 . 1 . . . . 21 A QB . 16508 1 158 . 1 1 21 21 ALA HB3 H 1 1.343 0.000 . 1 . . . . 21 A QB . 16508 1 159 . 1 1 21 21 ALA C C 13 175.015 0.000 . 1 . . . . 21 A C . 16508 1 160 . 1 1 21 21 ALA CA C 13 50.218 0.012 . 1 . . . . 21 A CA . 16508 1 161 . 1 1 21 21 ALA CB C 13 18.357 0.025 . 1 . . . . 21 A CB . 16508 1 162 . 1 1 21 21 ALA N N 15 125.104 0.060 . 1 . . . . 21 A N . 16508 1 163 . 1 1 24 24 PRO HB2 H 1 2.268 0.000 . 2 . . . . 24 P QB . 16508 1 164 . 1 1 24 24 PRO HB3 H 1 2.268 0.000 . 2 . . . . 24 P QB . 16508 1 165 . 1 1 24 24 PRO C C 13 176.644 0.008 . 1 . . . . 24 P C . 16508 1 166 . 1 1 24 24 PRO CA C 13 63.229 0.010 . 1 . . . . 24 P CA . 16508 1 167 . 1 1 24 24 PRO CB C 13 31.923 0.037 . 1 . . . . 24 P CB . 16508 1 168 . 1 1 25 25 ASN H H 1 8.316 0.003 . 1 . . . . 25 N H . 16508 1 169 . 1 1 25 25 ASN HA H 1 4.678 0.005 . 1 . . . . 25 N HA . 16508 1 170 . 1 1 25 25 ASN HB2 H 1 2.846 0.014 . 2 . . . . 25 N QB . 16508 1 171 . 1 1 25 25 ASN HB3 H 1 2.846 0.014 . 2 . . . . 25 N QB . 16508 1 172 . 1 1 25 25 ASN C C 13 175.323 0.019 . 1 . . . . 25 N C . 16508 1 173 . 1 1 25 25 ASN CA C 13 53.298 0.038 . 1 . . . . 25 N CA . 16508 1 174 . 1 1 25 25 ASN CB C 13 38.781 0.070 . 1 . . . . 25 N CB . 16508 1 175 . 1 1 25 25 ASN N N 15 117.577 0.042 . 1 . . . . 25 N N . 16508 1 176 . 1 1 26 26 LEU H H 1 8.182 0.003 . 1 . . . . 26 L H . 16508 1 177 . 1 1 26 26 LEU HA H 1 4.421 0.012 . 1 . . . . 26 L HA . 16508 1 178 . 1 1 26 26 LEU C C 13 177.605 0.017 . 1 . . . . 26 L C . 16508 1 179 . 1 1 26 26 LEU CA C 13 55.680 0.115 . 1 . . . . 26 L CA . 16508 1 180 . 1 1 26 26 LEU CB C 13 42.590 0.059 . 1 . . . . 26 L CB . 16508 1 181 . 1 1 26 26 LEU N N 15 122.443 0.035 . 1 . . . . 26 L N . 16508 1 182 . 1 1 27 27 THR H H 1 7.993 0.004 . 1 . . . . 27 T H . 16508 1 183 . 1 1 27 27 THR HA H 1 4.333 0.014 . 1 . . . . 27 T HA . 16508 1 184 . 1 1 27 27 THR HB H 1 4.176 0.000 . 1 . . . . 27 T HB . 16508 1 185 . 1 1 27 27 THR HG21 H 1 1.215 0.000 . 1 . . . . 27 T QG2 . 16508 1 186 . 1 1 27 27 THR HG22 H 1 1.215 0.000 . 1 . . . . 27 T QG2 . 16508 1 187 . 1 1 27 27 THR HG23 H 1 1.215 0.000 . 1 . . . . 27 T QG2 . 16508 1 188 . 1 1 27 27 THR C C 13 174.762 0.001 . 1 . . . . 27 T C . 16508 1 189 . 1 1 27 27 THR CA C 13 62.184 0.068 . 1 . . . . 27 T CA . 16508 1 190 . 1 1 27 27 THR CB C 13 69.793 0.070 . 1 . . . . 27 T CB . 16508 1 191 . 1 1 27 27 THR N N 15 112.888 0.096 . 1 . . . . 27 T N . 16508 1 192 . 1 1 28 28 SER H H 1 8.125 0.006 . 1 . . . . 28 S H . 16508 1 193 . 1 1 28 28 SER HA H 1 4.450 0.006 . 1 . . . . 28 S HA . 16508 1 194 . 1 1 28 28 SER HB2 H 1 3.888 0.001 . 2 . . . . 28 S QB . 16508 1 195 . 1 1 28 28 SER HB3 H 1 3.888 0.001 . 2 . . . . 28 S QB . 16508 1 196 . 1 1 28 28 SER C C 13 174.435 0.014 . 1 . . . . 28 S C . 16508 1 197 . 1 1 28 28 SER CA C 13 58.631 0.057 . 1 . . . . 28 S CA . 16508 1 198 . 1 1 28 28 SER CB C 13 63.949 0.088 . 1 . . . . 28 S CB . 16508 1 199 . 1 1 28 28 SER N N 15 117.153 0.085 . 1 . . . . 28 S N . 16508 1 200 . 1 1 29 29 ASN H H 1 8.316 0.005 . 1 . . . . 29 N H . 16508 1 201 . 1 1 29 29 ASN C C 13 175.372 0.046 . 1 . . . . 29 N C . 16508 1 202 . 1 1 29 29 ASN CA C 13 53.699 0.022 . 1 . . . . 29 N CA . 16508 1 203 . 1 1 29 29 ASN CB C 13 38.872 0.049 . 1 . . . . 29 N CB . 16508 1 204 . 1 1 29 29 ASN N N 15 120.610 0.041 . 1 . . . . 29 N N . 16508 1 205 . 1 1 30 30 ARG H H 1 8.200 0.005 . 1 . . . . 30 R H . 16508 1 206 . 1 1 30 30 ARG HA H 1 4.447 0.016 . 1 . . . . 30 R HA . 16508 1 207 . 1 1 30 30 ARG HB2 H 1 1.802 0.000 . 2 . . . . 30 R QB . 16508 1 208 . 1 1 30 30 ARG HB3 H 1 1.802 0.000 . 2 . . . . 30 R QB . 16508 1 209 . 1 1 30 30 ARG HG2 H 1 1.663 0.001 . 2 . . . . 30 R QG . 16508 1 210 . 1 1 30 30 ARG HG3 H 1 1.663 0.001 . 2 . . . . 30 R QG . 16508 1 211 . 1 1 30 30 ARG C C 13 176.529 0.002 . 1 . . . . 30 R C . 16508 1 212 . 1 1 30 30 ARG CA C 13 56.797 0.017 . 1 . . . . 30 R CA . 16508 1 213 . 1 1 30 30 ARG CB C 13 30.599 0.011 . 1 . . . . 30 R CB . 16508 1 214 . 1 1 30 30 ARG N N 15 121.313 0.080 . 1 . . . . 30 R N . 16508 1 215 . 1 1 31 31 ARG H H 1 8.248 0.003 . 1 . . . . 31 R H . 16508 1 216 . 1 1 31 31 ARG HA H 1 4.287 0.005 . 1 . . . . 31 R HA . 16508 1 217 . 1 1 31 31 ARG HB2 H 1 1.852 0.000 . 2 . . . . 31 R QB . 16508 1 218 . 1 1 31 31 ARG HB3 H 1 1.852 0.000 . 2 . . . . 31 R QB . 16508 1 219 . 1 1 31 31 ARG HG2 H 1 1.661 0.002 . 2 . . . . 31 R QG . 16508 1 220 . 1 1 31 31 ARG HG3 H 1 1.661 0.002 . 2 . . . . 31 R QG . 16508 1 221 . 1 1 31 31 ARG C C 13 176.923 0.016 . 1 . . . . 31 R C . 16508 1 222 . 1 1 31 31 ARG CA C 13 56.904 0.030 . 1 . . . . 31 R CA . 16508 1 223 . 1 1 31 31 ARG CB C 13 30.602 0.028 . 1 . . . . 31 R CB . 16508 1 224 . 1 1 31 31 ARG N N 15 120.954 0.042 . 1 . . . . 31 R N . 16508 1 225 . 1 1 32 32 LEU H H 1 8.196 0.004 . 1 . . . . 32 L H . 16508 1 226 . 1 1 32 32 LEU HA H 1 4.295 0.017 . 1 . . . . 32 L HA . 16508 1 227 . 1 1 32 32 LEU HB2 H 1 1.858 0.000 . 2 . . . . 32 L QB . 16508 1 228 . 1 1 32 32 LEU HB3 H 1 1.858 0.000 . 2 . . . . 32 L QB . 16508 1 229 . 1 1 32 32 LEU HD11 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1 230 . 1 1 32 32 LEU HD12 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1 231 . 1 1 32 32 LEU HD13 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1 232 . 1 1 32 32 LEU HD21 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1 233 . 1 1 32 32 LEU HD22 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1 234 . 1 1 32 32 LEU HD23 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1 235 . 1 1 32 32 LEU HG H 1 1.656 0.009 . 1 . . . . 32 L HG . 16508 1 236 . 1 1 32 32 LEU C C 13 177.501 0.043 . 1 . . . . 32 L C . 16508 1 237 . 1 1 32 32 LEU CA C 13 56.092 0.051 . 1 . . . . 32 L CA . 16508 1 238 . 1 1 32 32 LEU CB C 13 42.067 0.031 . 1 . . . . 32 L CB . 16508 1 239 . 1 1 32 32 LEU CD1 C 13 25.041 0.000 . 2 . . . . 32 L CD1 . 16508 1 240 . 1 1 32 32 LEU CD2 C 13 23.669 0.000 . 2 . . . . 32 L CD2 . 16508 1 241 . 1 1 32 32 LEU CG C 13 27.169 0.000 . 1 . . . . 32 L CG . 16508 1 242 . 1 1 32 32 LEU N N 15 121.777 0.100 . 1 . . . . 32 L N . 16508 1 243 . 1 1 33 33 GLN H H 1 8.187 0.003 . 1 . . . . 33 Q H . 16508 1 244 . 1 1 33 33 GLN HA H 1 4.284 0.004 . 1 . . . . 33 Q HA . 16508 1 245 . 1 1 33 33 GLN HB2 H 1 2.083 0.000 . 2 . . . . 33 Q QB . 16508 1 246 . 1 1 33 33 GLN HB3 H 1 2.083 0.000 . 2 . . . . 33 Q QB . 16508 1 247 . 1 1 33 33 GLN HG2 H 1 2.400 0.004 . 2 . . . . 33 Q QG . 16508 1 248 . 1 1 33 33 GLN HG3 H 1 2.400 0.004 . 2 . . . . 33 Q QG . 16508 1 249 . 1 1 33 33 GLN C C 13 176.584 0.022 . 1 . . . . 33 Q C . 16508 1 250 . 1 1 33 33 GLN CA C 13 56.787 0.067 . 1 . . . . 33 Q CA . 16508 1 251 . 1 1 33 33 GLN CB C 13 29.333 0.046 . 1 . . . . 33 Q CB . 16508 1 252 . 1 1 33 33 GLN CG C 13 33.888 0.000 . 1 . . . . 33 Q CG . 16508 1 253 . 1 1 33 33 GLN N N 15 119.912 0.137 . 1 . . . . 33 Q N . 16508 1 254 . 1 1 34 34 GLN H H 1 8.291 0.004 . 1 . . . . 34 Q H . 16508 1 255 . 1 1 34 34 GLN HA H 1 4.356 0.013 . 1 . . . . 34 Q HA . 16508 1 256 . 1 1 34 34 GLN HB2 H 1 2.090 0.001 . 2 . . . . 34 Q QB . 16508 1 257 . 1 1 34 34 GLN HB3 H 1 2.090 0.001 . 2 . . . . 34 Q QB . 16508 1 258 . 1 1 34 34 GLN HG2 H 1 2.401 0.000 . 2 . . . . 34 Q QG . 16508 1 259 . 1 1 34 34 GLN HG3 H 1 2.401 0.000 . 2 . . . . 34 Q QG . 16508 1 260 . 1 1 34 34 GLN C C 13 176.638 0.013 . 1 . . . . 34 Q C . 16508 1 261 . 1 1 34 34 GLN CA C 13 56.761 0.045 . 1 . . . . 34 Q CA . 16508 1 262 . 1 1 34 34 GLN CB C 13 29.356 0.036 . 1 . . . . 34 Q CB . 16508 1 263 . 1 1 34 34 GLN N N 15 120.285 0.048 . 1 . . . . 34 Q N . 16508 1 264 . 1 1 35 35 THR H H 1 8.058 0.003 . 1 . . . . 35 T H . 16508 1 265 . 1 1 35 35 THR HA H 1 4.318 0.000 . 1 . . . . 35 T HA . 16508 1 266 . 1 1 35 35 THR HB H 1 4.277 0.001 . 1 . . . . 35 T HB . 16508 1 267 . 1 1 35 35 THR HG21 H 1 1.223 0.002 . 1 . . . . 35 T QG2 . 16508 1 268 . 1 1 35 35 THR HG22 H 1 1.223 0.002 . 1 . . . . 35 T QG2 . 16508 1 269 . 1 1 35 35 THR HG23 H 1 1.223 0.002 . 1 . . . . 35 T QG2 . 16508 1 270 . 1 1 35 35 THR C C 13 174.992 0.014 . 1 . . . . 35 T C . 16508 1 271 . 1 1 35 35 THR CA C 13 63.323 0.012 . 1 . . . . 35 T CA . 16508 1 272 . 1 1 35 35 THR CB C 13 69.586 0.050 . 1 . . . . 35 T CB . 16508 1 273 . 1 1 35 35 THR N N 15 114.979 0.049 . 1 . . . . 35 T N . 16508 1 274 . 1 1 36 36 GLN H H 1 8.375 0.004 . 1 . . . . 36 Q H . 16508 1 275 . 1 1 36 36 GLN HA H 1 4.163 0.002 . 1 . . . . 36 Q HA . 16508 1 276 . 1 1 36 36 GLN HB2 H 1 2.119 0.010 . 2 . . . . 36 Q QB . 16508 1 277 . 1 1 36 36 GLN HB3 H 1 2.119 0.010 . 2 . . . . 36 Q QB . 16508 1 278 . 1 1 36 36 GLN HG2 H 1 2.389 0.004 . 2 . . . . 36 Q QG . 16508 1 279 . 1 1 36 36 GLN HG3 H 1 2.389 0.004 . 2 . . . . 36 Q QG . 16508 1 280 . 1 1 36 36 GLN C C 13 176.172 0.003 . 1 . . . . 36 Q C . 16508 1 281 . 1 1 36 36 GLN CA C 13 57.223 0.028 . 1 . . . . 36 Q CA . 16508 1 282 . 1 1 36 36 GLN CB C 13 29.260 0.106 . 1 . . . . 36 Q CB . 16508 1 283 . 1 1 36 36 GLN N N 15 121.819 0.028 . 1 . . . . 36 Q N . 16508 1 284 . 1 1 37 37 ALA H H 1 8.124 0.002 . 1 . . . . 37 A H . 16508 1 285 . 1 1 37 37 ALA HA H 1 4.298 0.005 . 1 . . . . 37 A HA . 16508 1 286 . 1 1 37 37 ALA HB1 H 1 1.434 0.005 . 1 . . . . 37 A QB . 16508 1 287 . 1 1 37 37 ALA HB2 H 1 1.434 0.005 . 1 . . . . 37 A QB . 16508 1 288 . 1 1 37 37 ALA HB3 H 1 1.434 0.005 . 1 . . . . 37 A QB . 16508 1 289 . 1 1 37 37 ALA C C 13 178.560 0.038 . 1 . . . . 37 A C . 16508 1 290 . 1 1 37 37 ALA CA C 13 53.506 0.030 . 1 . . . . 37 A CA . 16508 1 291 . 1 1 37 37 ALA CB C 13 18.979 0.076 . 1 . . . . 37 A CB . 16508 1 292 . 1 1 37 37 ALA N N 15 122.872 0.065 . 1 . . . . 37 A N . 16508 1 293 . 1 1 38 38 GLN H H 1 8.112 0.005 . 1 . . . . 38 Q H . 16508 1 294 . 1 1 38 38 GLN HA H 1 4.299 0.013 . 1 . . . . 38 Q HA . 16508 1 295 . 1 1 38 38 GLN HB2 H 1 2.154 0.002 . 2 . . . . 38 Q QB . 16508 1 296 . 1 1 38 38 GLN HB3 H 1 2.154 0.002 . 2 . . . . 38 Q QB . 16508 1 297 . 1 1 38 38 GLN HG2 H 1 2.420 0.000 . 2 . . . . 38 Q QG . 16508 1 298 . 1 1 38 38 GLN HG3 H 1 2.420 0.000 . 2 . . . . 38 Q QG . 16508 1 299 . 1 1 38 38 GLN C C 13 177.302 0.043 . 1 . . . . 38 Q C . 16508 1 300 . 1 1 38 38 GLN CA C 13 57.323 0.020 . 1 . . . . 38 Q CA . 16508 1 301 . 1 1 38 38 GLN CB C 13 29.405 0.002 . 1 . . . . 38 Q CB . 16508 1 302 . 1 1 38 38 GLN N N 15 118.619 0.045 . 1 . . . . 38 Q N . 16508 1 303 . 1 1 39 39 VAL H H 1 8.166 0.004 . 1 . . . . 39 V H . 16508 1 304 . 1 1 39 39 VAL HA H 1 3.806 0.001 . 1 . . . . 39 V HA . 16508 1 305 . 1 1 39 39 VAL HB H 1 2.180 0.000 . 1 . . . . 39 V HB . 16508 1 306 . 1 1 39 39 VAL HG11 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1 307 . 1 1 39 39 VAL HG12 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1 308 . 1 1 39 39 VAL HG13 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1 309 . 1 1 39 39 VAL HG21 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1 310 . 1 1 39 39 VAL HG22 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1 311 . 1 1 39 39 VAL HG23 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1 312 . 1 1 39 39 VAL C C 13 177.256 0.000 . 1 . . . . 39 V C . 16508 1 313 . 1 1 39 39 VAL CA C 13 65.169 0.008 . 1 . . . . 39 V CA . 16508 1 314 . 1 1 39 39 VAL CB C 13 32.292 0.022 . 1 . . . . 39 V CB . 16508 1 315 . 1 1 39 39 VAL N N 15 119.785 0.101 . 1 . . . . 39 V N . 16508 1 316 . 1 1 40 40 ASP HA H 1 4.245 0.000 . 1 . . . . 40 D HA . 16508 1 317 . 1 1 40 40 ASP C C 13 177.718 0.000 . 1 . . . . 40 D C . 16508 1 318 . 1 1 40 40 ASP CA C 13 56.597 0.025 . 1 . . . . 40 D CA . 16508 1 319 . 1 1 40 40 ASP CB C 13 40.982 0.000 . 1 . . . . 40 D CB . 16508 1 320 . 1 1 41 41 GLU H H 1 7.892 0.007 . 1 . . . . 41 E H . 16508 1 321 . 1 1 41 41 GLU HA H 1 4.421 0.013 . 1 . . . . 41 E HA . 16508 1 322 . 1 1 41 41 GLU HB2 H 1 2.144 0.000 . 2 . . . . 41 E QB . 16508 1 323 . 1 1 41 41 GLU HB3 H 1 2.144 0.000 . 2 . . . . 41 E QB . 16508 1 324 . 1 1 41 41 GLU HG2 H 1 2.387 0.000 . 2 . . . . 41 E QG . 16508 1 325 . 1 1 41 41 GLU HG3 H 1 2.387 0.000 . 2 . . . . 41 E QG . 16508 1 326 . 1 1 41 41 GLU C C 13 178.055 0.000 . 1 . . . . 41 E C . 16508 1 327 . 1 1 41 41 GLU CA C 13 58.384 0.075 . 1 . . . . 41 E CA . 16508 1 328 . 1 1 41 41 GLU CB C 13 29.918 0.007 . 1 . . . . 41 E CB . 16508 1 329 . 1 1 41 41 GLU N N 15 119.302 0.034 . 1 . . . . 41 E N . 16508 1 330 . 1 1 42 42 VAL H H 1 7.926 0.007 . 1 . . . . 42 V H . 16508 1 331 . 1 1 42 42 VAL HA H 1 3.815 0.008 . 1 . . . . 42 V HA . 16508 1 332 . 1 1 42 42 VAL HB H 1 2.256 0.000 . 1 . . . . 42 V HB . 16508 1 333 . 1 1 42 42 VAL HG11 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1 334 . 1 1 42 42 VAL HG12 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1 335 . 1 1 42 42 VAL HG13 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1 336 . 1 1 42 42 VAL HG21 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1 337 . 1 1 42 42 VAL HG22 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1 338 . 1 1 42 42 VAL HG23 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1 339 . 1 1 42 42 VAL C C 13 177.213 0.017 . 1 . . . . 42 V C . 16508 1 340 . 1 1 42 42 VAL CA C 13 65.513 0.063 . 1 . . . . 42 V CA . 16508 1 341 . 1 1 42 42 VAL CB C 13 31.776 0.000 . 1 . . . . 42 V CB . 16508 1 342 . 1 1 42 42 VAL N N 15 119.388 0.060 . 1 . . . . 42 V N . 16508 1 343 . 1 1 43 43 VAL H H 1 8.265 0.007 . 1 . . . . 43 V H . 16508 1 344 . 1 1 43 43 VAL HA H 1 3.716 0.010 . 1 . . . . 43 V HA . 16508 1 345 . 1 1 43 43 VAL HB H 1 2.202 0.008 . 1 . . . . 43 V HB . 16508 1 346 . 1 1 43 43 VAL HG11 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1 347 . 1 1 43 43 VAL HG12 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1 348 . 1 1 43 43 VAL HG13 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1 349 . 1 1 43 43 VAL HG21 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1 350 . 1 1 43 43 VAL HG22 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1 351 . 1 1 43 43 VAL HG23 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1 352 . 1 1 43 43 VAL C C 13 177.069 0.011 . 1 . . . . 43 V C . 16508 1 353 . 1 1 43 43 VAL CA C 13 65.942 0.087 . 1 . . . . 43 V CA . 16508 1 354 . 1 1 43 43 VAL CB C 13 29.831 0.000 . 1 . . . . 43 V CB . 16508 1 355 . 1 1 43 43 VAL N N 15 120.486 0.045 . 1 . . . . 43 V N . 16508 1 356 . 1 1 44 44 ASP H H 1 7.994 0.004 . 1 . . . . 44 D H . 16508 1 357 . 1 1 44 44 ASP HA H 1 4.549 0.010 . 1 . . . . 44 D HA . 16508 1 358 . 1 1 44 44 ASP HB2 H 1 2.736 0.009 . 2 . . . . 44 D QB . 16508 1 359 . 1 1 44 44 ASP HB3 H 1 2.736 0.009 . 2 . . . . 44 D QB . 16508 1 360 . 1 1 44 44 ASP C C 13 177.995 0.018 . 1 . . . . 44 D C . 16508 1 361 . 1 1 44 44 ASP CA C 13 56.900 0.037 . 1 . . . . 44 D CA . 16508 1 362 . 1 1 44 44 ASP CB C 13 41.272 0.028 . 1 . . . . 44 D CB . 16508 1 363 . 1 1 44 44 ASP N N 15 120.549 0.081 . 1 . . . . 44 D N . 16508 1 364 . 1 1 45 45 ILE H H 1 7.902 0.007 . 1 . . . . 45 I H . 16508 1 365 . 1 1 45 45 ILE HA H 1 3.903 0.011 . 1 . . . . 45 I HA . 16508 1 366 . 1 1 45 45 ILE HB H 1 2.025 0.000 . 1 . . . . 45 I HB . 16508 1 367 . 1 1 45 45 ILE HD11 H 1 0.963 0.009 . 1 . . . . 45 I QD1 . 16508 1 368 . 1 1 45 45 ILE HD12 H 1 0.963 0.009 . 1 . . . . 45 I QD1 . 16508 1 369 . 1 1 45 45 ILE HD13 H 1 0.963 0.009 . 1 . . . . 45 I QD1 . 16508 1 370 . 1 1 45 45 ILE HG12 H 1 1.257 0.025 . 1 . . . . 45 I QG1 . 16508 1 371 . 1 1 45 45 ILE HG13 H 1 1.257 0.025 . 1 . . . . 45 I QG1 . 16508 1 372 . 1 1 45 45 ILE C C 13 178.329 0.022 . 1 . . . . 45 I C . 16508 1 373 . 1 1 45 45 ILE CA C 13 64.053 0.058 . 1 . . . . 45 I CA . 16508 1 374 . 1 1 45 45 ILE CB C 13 38.538 0.087 . 1 . . . . 45 I CB . 16508 1 375 . 1 1 45 45 ILE N N 15 119.327 0.046 . 1 . . . . 45 I N . 16508 1 376 . 1 1 46 46 MET H H 1 8.249 0.004 . 1 . . . . 46 M H . 16508 1 377 . 1 1 46 46 MET HA H 1 4.236 0.006 . 1 . . . . 46 M HA . 16508 1 378 . 1 1 46 46 MET HB2 H 1 2.273 0.001 . 2 . . . . 46 M QB . 16508 1 379 . 1 1 46 46 MET HB3 H 1 2.273 0.001 . 2 . . . . 46 M QB . 16508 1 380 . 1 1 46 46 MET HE1 H 1 1.774 0.001 . 1 . . . . 46 M QE . 16508 1 381 . 1 1 46 46 MET HE2 H 1 1.774 0.001 . 1 . . . . 46 M QE . 16508 1 382 . 1 1 46 46 MET HE3 H 1 1.774 0.001 . 1 . . . . 46 M QE . 16508 1 383 . 1 1 46 46 MET HG2 H 1 2.474 0.006 . 2 . . . . 46 M QG . 16508 1 384 . 1 1 46 46 MET HG3 H 1 2.474 0.006 . 2 . . . . 46 M QG . 16508 1 385 . 1 1 46 46 MET C C 13 177.195 0.042 . 1 . . . . 46 M C . 16508 1 386 . 1 1 46 46 MET CA C 13 58.340 0.094 . 1 . . . . 46 M CA . 16508 1 387 . 1 1 46 46 MET CB C 13 32.572 0.039 . 1 . . . . 46 M CB . 16508 1 388 . 1 1 46 46 MET N N 15 119.936 0.048 . 1 . . . . 46 M N . 16508 1 389 . 1 1 47 47 ARG H H 1 8.463 0.010 . 1 . . . . 47 R H . 16508 1 390 . 1 1 47 47 ARG HA H 1 3.993 0.009 . 1 . . . . 47 R HA . 16508 1 391 . 1 1 47 47 ARG HB2 H 1 2.045 0.003 . 2 . . . . 47 R QB . 16508 1 392 . 1 1 47 47 ARG HB3 H 1 2.045 0.003 . 2 . . . . 47 R QB . 16508 1 393 . 1 1 47 47 ARG HD2 H 1 3.234 0.005 . 2 . . . . 47 R QD . 16508 1 394 . 1 1 47 47 ARG HD3 H 1 3.234 0.005 . 2 . . . . 47 R QD . 16508 1 395 . 1 1 47 47 ARG HG2 H 1 1.940 0.006 . 2 . . . . 47 R QG . 16508 1 396 . 1 1 47 47 ARG HG3 H 1 1.940 0.006 . 2 . . . . 47 R QG . 16508 1 397 . 1 1 47 47 ARG C C 13 177.709 0.009 . 1 . . . . 47 R C . 16508 1 398 . 1 1 47 47 ARG CA C 13 59.112 0.125 . 1 . . . . 47 R CA . 16508 1 399 . 1 1 47 47 ARG CB C 13 30.453 0.043 . 1 . . . . 47 R CB . 16508 1 400 . 1 1 47 47 ARG N N 15 119.457 0.058 . 1 . . . . 47 R N . 16508 1 401 . 1 1 48 48 VAL H H 1 7.970 0.003 . 1 . . . . 48 V H . 16508 1 402 . 1 1 48 48 VAL HA H 1 3.994 0.010 . 1 . . . . 48 V HA . 16508 1 403 . 1 1 48 48 VAL HB H 1 2.169 0.003 . 1 . . . . 48 V HB . 16508 1 404 . 1 1 48 48 VAL HG11 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1 405 . 1 1 48 48 VAL HG12 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1 406 . 1 1 48 48 VAL HG13 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1 407 . 1 1 48 48 VAL HG21 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1 408 . 1 1 48 48 VAL HG22 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1 409 . 1 1 48 48 VAL HG23 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1 410 . 1 1 48 48 VAL C C 13 177.201 0.000 . 1 . . . . 48 V C . 16508 1 411 . 1 1 48 48 VAL CA C 13 64.530 0.023 . 1 . . . . 48 V CA . 16508 1 412 . 1 1 48 48 VAL CB C 13 32.248 0.021 . 1 . . . . 48 V CB . 16508 1 413 . 1 1 48 48 VAL N N 15 116.788 0.048 . 1 . . . . 48 V N . 16508 1 414 . 1 1 49 49 ASN H H 1 7.861 0.009 . 1 . . . . 49 N H . 16508 1 415 . 1 1 49 49 ASN HA H 1 4.669 0.011 . 1 . . . . 49 N HA . 16508 1 416 . 1 1 49 49 ASN HB2 H 1 2.764 0.014 . 2 . . . . 49 N HB2 . 16508 1 417 . 1 1 49 49 ASN HB3 H 1 2.654 0.009 . 2 . . . . 49 N HB3 . 16508 1 418 . 1 1 49 49 ASN C C 13 176.503 0.000 . 1 . . . . 49 N C . 16508 1 419 . 1 1 49 49 ASN CA C 13 55.827 0.000 . 1 . . . . 49 N CA . 16508 1 420 . 1 1 49 49 ASN CB C 13 40.037 0.000 . 1 . . . . 49 N CB . 16508 1 421 . 1 1 49 49 ASN N N 15 118.752 0.063 . 1 . . . . 49 N N . 16508 1 422 . 1 1 50 50 VAL H H 1 8.311 0.006 . 1 . . . . 50 V H . 16508 1 423 . 1 1 50 50 VAL HA H 1 3.814 0.006 . 1 . . . . 50 V HA . 16508 1 424 . 1 1 50 50 VAL HB H 1 2.206 0.000 . 1 . . . . 50 V HB . 16508 1 425 . 1 1 50 50 VAL HG11 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1 426 . 1 1 50 50 VAL HG12 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1 427 . 1 1 50 50 VAL HG13 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1 428 . 1 1 50 50 VAL HG21 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1 429 . 1 1 50 50 VAL HG22 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1 430 . 1 1 50 50 VAL HG23 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1 431 . 1 1 50 50 VAL C C 13 177.618 0.000 . 1 . . . . 50 V C . 16508 1 432 . 1 1 50 50 VAL CA C 13 65.614 0.047 . 1 . . . . 50 V CA . 16508 1 433 . 1 1 50 50 VAL CB C 13 31.394 0.006 . 1 . . . . 50 V CB . 16508 1 434 . 1 1 50 50 VAL N N 15 120.270 0.066 . 1 . . . . 50 V N . 16508 1 435 . 1 1 51 51 ASP H H 1 8.182 0.006 . 1 . . . . 51 D H . 16508 1 436 . 1 1 51 51 ASP HA H 1 4.420 0.015 . 1 . . . . 51 D HA . 16508 1 437 . 1 1 51 51 ASP HB2 H 1 2.785 0.000 . 2 . . . . 51 D HB2 . 16508 1 438 . 1 1 51 51 ASP HB3 H 1 2.694 0.005 . 2 . . . . 51 D HB3 . 16508 1 439 . 1 1 51 51 ASP C C 13 177.654 0.027 . 1 . . . . 51 D C . 16508 1 440 . 1 1 51 51 ASP CA C 13 56.679 0.020 . 1 . . . . 51 D CA . 16508 1 441 . 1 1 51 51 ASP CB C 13 40.365 0.063 . 1 . . . . 51 D CB . 16508 1 442 . 1 1 51 51 ASP N N 15 119.886 0.036 . 1 . . . . 51 D N . 16508 1 443 . 1 1 52 52 LYS H H 1 7.719 0.005 . 1 . . . . 52 K H . 16508 1 444 . 1 1 52 52 LYS HA H 1 4.200 0.001 . 1 . . . . 52 K HA . 16508 1 445 . 1 1 52 52 LYS HB2 H 1 1.989 0.000 . 2 . . . . 52 K HB2 . 16508 1 446 . 1 1 52 52 LYS HB3 H 1 1.916 0.000 . 2 . . . . 52 K HB3 . 16508 1 447 . 1 1 52 52 LYS HD2 H 1 1.632 0.011 . 2 . . . . 52 K QD . 16508 1 448 . 1 1 52 52 LYS HD3 H 1 1.632 0.011 . 2 . . . . 52 K QD . 16508 1 449 . 1 1 52 52 LYS HE2 H 1 2.952 0.000 . 2 . . . . 52 K QE . 16508 1 450 . 1 1 52 52 LYS HE3 H 1 2.952 0.000 . 2 . . . . 52 K QE . 16508 1 451 . 1 1 52 52 LYS HG2 H 1 1.496 0.000 . 2 . . . . 52 K QG . 16508 1 452 . 1 1 52 52 LYS HG3 H 1 1.496 0.000 . 2 . . . . 52 K QG . 16508 1 453 . 1 1 52 52 LYS C C 13 178.231 0.040 . 1 . . . . 52 K C . 16508 1 454 . 1 1 52 52 LYS CA C 13 58.181 0.075 . 1 . . . . 52 K CA . 16508 1 455 . 1 1 52 52 LYS CB C 13 32.755 0.018 . 1 . . . . 52 K CB . 16508 1 456 . 1 1 52 52 LYS N N 15 117.852 0.057 . 1 . . . . 52 K N . 16508 1 457 . 1 1 53 53 VAL H H 1 7.717 0.005 . 1 . . . . 53 V H . 16508 1 458 . 1 1 53 53 VAL HA H 1 3.985 0.002 . 1 . . . . 53 V HA . 16508 1 459 . 1 1 53 53 VAL HB H 1 2.249 0.021 . 1 . . . . 53 V HB . 16508 1 460 . 1 1 53 53 VAL HG11 H 1 1.058 0.001 . 1 . . . . 53 V QG1 . 16508 1 461 . 1 1 53 53 VAL HG12 H 1 1.058 0.001 . 1 . . . . 53 V QG1 . 16508 1 462 . 1 1 53 53 VAL HG13 H 1 1.058 0.001 . 1 . . . . 53 V QG1 . 16508 1 463 . 1 1 53 53 VAL HG21 H 1 0.988 0.006 . 1 . . . . 53 V QG2 . 16508 1 464 . 1 1 53 53 VAL HG22 H 1 0.988 0.006 . 1 . . . . 53 V QG2 . 16508 1 465 . 1 1 53 53 VAL HG23 H 1 0.988 0.006 . 1 . . . . 53 V QG2 . 16508 1 466 . 1 1 53 53 VAL C C 13 176.387 0.017 . 1 . . . . 53 V C . 16508 1 467 . 1 1 53 53 VAL CA C 13 64.260 0.038 . 1 . . . . 53 V CA . 16508 1 468 . 1 1 53 53 VAL CB C 13 32.469 0.050 . 1 . . . . 53 V CB . 16508 1 469 . 1 1 53 53 VAL N N 15 117.471 0.077 . 1 . . . . 53 V N . 16508 1 470 . 1 1 54 54 LEU H H 1 7.885 0.006 . 1 . . . . 54 L H . 16508 1 471 . 1 1 54 54 LEU HA H 1 4.261 0.007 . 1 . . . . 54 L HA . 16508 1 472 . 1 1 54 54 LEU HB2 H 1 1.778 0.013 . 2 . . . . 54 L QB . 16508 1 473 . 1 1 54 54 LEU HB3 H 1 1.778 0.013 . 2 . . . . 54 L QB . 16508 1 474 . 1 1 54 54 LEU HD11 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1 475 . 1 1 54 54 LEU HD12 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1 476 . 1 1 54 54 LEU HD13 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1 477 . 1 1 54 54 LEU HD21 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1 478 . 1 1 54 54 LEU HD22 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1 479 . 1 1 54 54 LEU HD23 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1 480 . 1 1 54 54 LEU C C 13 177.214 0.006 . 1 . . . . 54 L C . 16508 1 481 . 1 1 54 54 LEU CA C 13 55.604 0.039 . 1 . . . . 54 L CA . 16508 1 482 . 1 1 54 54 LEU CB C 13 42.194 0.059 . 1 . . . . 54 L CB . 16508 1 483 . 1 1 54 54 LEU N N 15 119.443 0.120 . 1 . . . . 54 L N . 16508 1 484 . 1 1 55 55 GLU H H 1 7.918 0.008 . 1 . . . . 55 E H . 16508 1 485 . 1 1 55 55 GLU HA H 1 4.235 0.001 . 1 . . . . 55 E HA . 16508 1 486 . 1 1 55 55 GLU HB2 H 1 2.052 0.019 . 2 . . . . 55 E QB . 16508 1 487 . 1 1 55 55 GLU HB3 H 1 2.052 0.019 . 2 . . . . 55 E QB . 16508 1 488 . 1 1 55 55 GLU C C 13 176.538 0.009 . 1 . . . . 55 E C . 16508 1 489 . 1 1 55 55 GLU CA C 13 56.880 0.102 . 1 . . . . 55 E CA . 16508 1 490 . 1 1 55 55 GLU CB C 13 29.573 0.098 . 1 . . . . 55 E CB . 16508 1 491 . 1 1 55 55 GLU CG C 13 35.898 0.000 . 1 . . . . 55 E CG . 16508 1 492 . 1 1 55 55 GLU N N 15 119.085 0.064 . 1 . . . . 55 E N . 16508 1 493 . 1 1 56 56 ARG H H 1 8.053 0.004 . 1 . . . . 56 R H . 16508 1 494 . 1 1 56 56 ARG HA H 1 4.286 0.028 . 1 . . . . 56 R HA . 16508 1 495 . 1 1 56 56 ARG HB2 H 1 1.894 0.003 . 2 . . . . 56 R HB2 . 16508 1 496 . 1 1 56 56 ARG HB3 H 1 1.818 0.004 . 2 . . . . 56 R HB3 . 16508 1 497 . 1 1 56 56 ARG HD2 H 1 3.226 0.003 . 2 . . . . 56 R QD . 16508 1 498 . 1 1 56 56 ARG HD3 H 1 3.226 0.003 . 2 . . . . 56 R QD . 16508 1 499 . 1 1 56 56 ARG HG2 H 1 1.679 0.006 . 2 . . . . 56 R QG . 16508 1 500 . 1 1 56 56 ARG HG3 H 1 1.679 0.006 . 2 . . . . 56 R QG . 16508 1 501 . 1 1 56 56 ARG C C 13 176.234 0.016 . 1 . . . . 56 R C . 16508 1 502 . 1 1 56 56 ARG CA C 13 56.659 0.062 . 1 . . . . 56 R CA . 16508 1 503 . 1 1 56 56 ARG CB C 13 30.983 0.067 . 1 . . . . 56 R CB . 16508 1 504 . 1 1 56 56 ARG CG C 13 27.245 0.000 . 1 . . . . 56 R CG . 16508 1 505 . 1 1 56 56 ARG N N 15 120.520 0.077 . 1 . . . . 56 R N . 16508 1 506 . 1 1 57 57 ASP H H 1 8.330 0.007 . 1 . . . . 57 D H . 16508 1 507 . 1 1 57 57 ASP HA H 1 3.974 0.007 . 1 . . . . 57 D HA . 16508 1 508 . 1 1 57 57 ASP HB2 H 1 2.704 0.010 . 2 . . . . 57 D HB2 . 16508 1 509 . 1 1 57 57 ASP HB3 H 1 2.649 0.006 . 2 . . . . 57 D HB3 . 16508 1 510 . 1 1 57 57 ASP C C 13 176.325 0.003 . 1 . . . . 57 D C . 16508 1 511 . 1 1 57 57 ASP CA C 13 54.689 0.033 . 1 . . . . 57 D CA . 16508 1 512 . 1 1 57 57 ASP CB C 13 41.203 0.035 . 1 . . . . 57 D CB . 16508 1 513 . 1 1 57 57 ASP N N 15 120.434 0.038 . 1 . . . . 57 D N . 16508 1 514 . 1 1 58 58 GLN H H 1 8.184 0.003 . 1 . . . . 58 Q H . 16508 1 515 . 1 1 58 58 GLN HA H 1 4.299 0.005 . 1 . . . . 58 Q HA . 16508 1 516 . 1 1 58 58 GLN HB2 H 1 2.137 0.005 . 2 . . . . 58 Q HB2 . 16508 1 517 . 1 1 58 58 GLN HB3 H 1 2.014 0.014 . 2 . . . . 58 Q HB3 . 16508 1 518 . 1 1 58 58 GLN HG2 H 1 2.374 0.010 . 2 . . . . 58 Q QG . 16508 1 519 . 1 1 58 58 GLN HG3 H 1 2.374 0.010 . 2 . . . . 58 Q QG . 16508 1 520 . 1 1 58 58 GLN C C 13 176.105 0.010 . 1 . . . . 58 Q C . 16508 1 521 . 1 1 58 58 GLN CA C 13 56.391 0.120 . 1 . . . . 58 Q CA . 16508 1 522 . 1 1 58 58 GLN CB C 13 29.578 0.179 . 1 . . . . 58 Q CB . 16508 1 523 . 1 1 58 58 GLN CG C 13 34.145 0.000 . 1 . . . . 58 Q CG . 16508 1 524 . 1 1 58 58 GLN N N 15 120.708 0.053 . 1 . . . . 58 Q N . 16508 1 525 . 1 1 59 59 LYS H H 1 8.271 0.005 . 1 . . . . 59 K H . 16508 1 526 . 1 1 59 59 LYS HA H 1 4.304 0.009 . 1 . . . . 59 K HA . 16508 1 527 . 1 1 59 59 LYS HB2 H 1 1.825 0.012 . 2 . . . . 59 K QB . 16508 1 528 . 1 1 59 59 LYS HB3 H 1 1.825 0.012 . 2 . . . . 59 K QB . 16508 1 529 . 1 1 59 59 LYS HD2 H 1 1.688 0.004 . 2 . . . . 59 K QD . 16508 1 530 . 1 1 59 59 LYS HD3 H 1 1.688 0.004 . 2 . . . . 59 K QD . 16508 1 531 . 1 1 59 59 LYS HE2 H 1 3.005 0.007 . 2 . . . . 59 K QE . 16508 1 532 . 1 1 59 59 LYS HE3 H 1 3.005 0.007 . 2 . . . . 59 K QE . 16508 1 533 . 1 1 59 59 LYS HG2 H 1 1.442 0.004 . 2 . . . . 59 K QG . 16508 1 534 . 1 1 59 59 LYS HG3 H 1 1.442 0.004 . 2 . . . . 59 K QG . 16508 1 535 . 1 1 59 59 LYS C C 13 176.831 0.016 . 1 . . . . 59 K C . 16508 1 536 . 1 1 59 59 LYS CA C 13 56.569 0.098 . 1 . . . . 59 K CA . 16508 1 537 . 1 1 59 59 LYS CB C 13 32.773 0.065 . 1 . . . . 59 K CB . 16508 1 538 . 1 1 59 59 LYS CD C 13 29.193 0.000 . 1 . . . . 59 K CD . 16508 1 539 . 1 1 59 59 LYS CE C 13 42.242 0.000 . 1 . . . . 59 K CE . 16508 1 540 . 1 1 59 59 LYS CG C 13 24.940 0.000 . 1 . . . . 59 K CG . 16508 1 541 . 1 1 59 59 LYS N N 15 121.618 0.055 . 1 . . . . 59 K N . 16508 1 542 . 1 1 60 60 LEU H H 1 8.185 0.005 . 1 . . . . 60 L H . 16508 1 543 . 1 1 60 60 LEU HA H 1 4.345 0.007 . 1 . . . . 60 L HA . 16508 1 544 . 1 1 60 60 LEU HB2 H 1 1.664 0.010 . 2 . . . . 60 L QB . 16508 1 545 . 1 1 60 60 LEU HB3 H 1 1.664 0.010 . 2 . . . . 60 L QB . 16508 1 546 . 1 1 60 60 LEU HD11 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1 547 . 1 1 60 60 LEU HD12 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1 548 . 1 1 60 60 LEU HD13 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1 549 . 1 1 60 60 LEU HD21 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1 550 . 1 1 60 60 LEU HD22 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1 551 . 1 1 60 60 LEU HD23 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1 552 . 1 1 60 60 LEU C C 13 177.613 0.024 . 1 . . . . 60 L C . 16508 1 553 . 1 1 60 60 LEU CA C 13 55.683 0.076 . 1 . . . . 60 L CA . 16508 1 554 . 1 1 60 60 LEU CB C 13 42.236 0.122 . 1 . . . . 60 L CB . 16508 1 555 . 1 1 60 60 LEU CD1 C 13 24.832 0.000 . 2 . . . . 60 L CD1 . 16508 1 556 . 1 1 60 60 LEU CD2 C 13 23.477 0.000 . 2 . . . . 60 L CD2 . 16508 1 557 . 1 1 60 60 LEU CG C 13 26.838 0.000 . 1 . . . . 60 L CG . 16508 1 558 . 1 1 60 60 LEU N N 15 122.423 0.060 . 1 . . . . 60 L N . 16508 1 559 . 1 1 61 61 SER H H 1 8.150 0.004 . 1 . . . . 61 S H . 16508 1 560 . 1 1 61 61 SER HA H 1 4.439 0.009 . 1 . . . . 61 S HA . 16508 1 561 . 1 1 61 61 SER HB2 H 1 3.886 0.007 . 2 . . . . 61 S QB . 16508 1 562 . 1 1 61 61 SER HB3 H 1 3.886 0.007 . 2 . . . . 61 S QB . 16508 1 563 . 1 1 61 61 SER C C 13 174.718 0.010 . 1 . . . . 61 S C . 16508 1 564 . 1 1 61 61 SER CA C 13 58.777 0.054 . 1 . . . . 61 S CA . 16508 1 565 . 1 1 61 61 SER CB C 13 63.981 0.136 . 1 . . . . 61 S CB . 16508 1 566 . 1 1 61 61 SER N N 15 115.473 0.032 . 1 . . . . 61 S N . 16508 1 567 . 1 1 62 62 GLU H H 1 8.295 0.004 . 1 . . . . 62 E H . 16508 1 568 . 1 1 62 62 GLU HA H 1 4.319 0.004 . 1 . . . . 62 E HA . 16508 1 569 . 1 1 62 62 GLU HB2 H 1 2.112 0.007 . 2 . . . . 62 E HB2 . 16508 1 570 . 1 1 62 62 GLU HB3 H 1 1.973 0.005 . 2 . . . . 62 E HB3 . 16508 1 571 . 1 1 62 62 GLU HG2 H 1 2.286 0.007 . 2 . . . . 62 E QG . 16508 1 572 . 1 1 62 62 GLU HG3 H 1 2.286 0.007 . 2 . . . . 62 E QG . 16508 1 573 . 1 1 62 62 GLU C C 13 176.452 0.007 . 1 . . . . 62 E C . 16508 1 574 . 1 1 62 62 GLU CA C 13 56.914 0.089 . 1 . . . . 62 E CA . 16508 1 575 . 1 1 62 62 GLU CB C 13 30.048 0.182 . 1 . . . . 62 E CB . 16508 1 576 . 1 1 62 62 GLU CG C 13 36.205 0.082 . 1 . . . . 62 E CG . 16508 1 577 . 1 1 62 62 GLU N N 15 122.071 0.053 . 1 . . . . 62 E N . 16508 1 578 . 1 1 63 63 LEU H H 1 7.988 0.004 . 1 . . . . 63 L H . 16508 1 579 . 1 1 63 63 LEU HA H 1 4.330 0.008 . 1 . . . . 63 L HA . 16508 1 580 . 1 1 63 63 LEU HB2 H 1 1.655 0.010 . 2 . . . . 63 L QB . 16508 1 581 . 1 1 63 63 LEU HB3 H 1 1.655 0.010 . 2 . . . . 63 L QB . 16508 1 582 . 1 1 63 63 LEU HD11 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1 583 . 1 1 63 63 LEU HD12 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1 584 . 1 1 63 63 LEU HD13 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1 585 . 1 1 63 63 LEU HD21 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1 586 . 1 1 63 63 LEU HD22 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1 587 . 1 1 63 63 LEU HD23 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1 588 . 1 1 63 63 LEU C C 13 177.042 0.017 . 1 . . . . 63 L C . 16508 1 589 . 1 1 63 63 LEU CA C 13 55.468 0.056 . 1 . . . . 63 L CA . 16508 1 590 . 1 1 63 63 LEU CB C 13 42.486 0.060 . 1 . . . . 63 L CB . 16508 1 591 . 1 1 63 63 LEU CD1 C 13 24.968 0.000 . 2 . . . . 63 L CD1 . 16508 1 592 . 1 1 63 63 LEU CD2 C 13 23.607 0.000 . 2 . . . . 63 L CD2 . 16508 1 593 . 1 1 63 63 LEU CG C 13 26.943 0.000 . 1 . . . . 63 L CG . 16508 1 594 . 1 1 63 63 LEU N N 15 121.328 0.039 . 1 . . . . 63 L N . 16508 1 595 . 1 1 64 64 ASP H H 1 8.069 0.004 . 1 . . . . 64 D H . 16508 1 596 . 1 1 64 64 ASP HA H 1 4.594 0.003 . 1 . . . . 64 D HA . 16508 1 597 . 1 1 64 64 ASP HB2 H 1 2.735 0.001 . 2 . . . . 64 D HB2 . 16508 1 598 . 1 1 64 64 ASP HB3 H 1 2.639 0.002 . 2 . . . . 64 D HB3 . 16508 1 599 . 1 1 64 64 ASP C C 13 176.060 0.018 . 1 . . . . 64 D C . 16508 1 600 . 1 1 64 64 ASP CA C 13 54.573 0.058 . 1 . . . . 64 D CA . 16508 1 601 . 1 1 64 64 ASP CB C 13 41.429 0.141 . 1 . . . . 64 D CB . 16508 1 602 . 1 1 64 64 ASP N N 15 120.630 0.038 . 1 . . . . 64 D N . 16508 1 603 . 1 1 65 65 ASP H H 1 8.191 0.003 . 1 . . . . 65 D H . 16508 1 604 . 1 1 65 65 ASP HA H 1 4.568 0.014 . 1 . . . . 65 D HA . 16508 1 605 . 1 1 65 65 ASP HB2 H 1 2.691 0.005 . 2 . . . . 65 D QB . 16508 1 606 . 1 1 65 65 ASP HB3 H 1 2.691 0.005 . 2 . . . . 65 D QB . 16508 1 607 . 1 1 65 65 ASP C C 13 176.588 0.016 . 1 . . . . 65 D C . 16508 1 608 . 1 1 65 65 ASP CA C 13 54.620 0.054 . 1 . . . . 65 D CA . 16508 1 609 . 1 1 65 65 ASP CB C 13 41.068 0.097 . 1 . . . . 65 D CB . 16508 1 610 . 1 1 65 65 ASP N N 15 120.962 0.065 . 1 . . . . 65 D N . 16508 1 611 . 1 1 66 66 ARG H H 1 8.135 0.004 . 1 . . . . 66 R H . 16508 1 612 . 1 1 66 66 ARG HA H 1 4.290 0.012 . 1 . . . . 66 R HA . 16508 1 613 . 1 1 66 66 ARG HB2 H 1 1.919 0.002 . 2 . . . . 66 R HB2 . 16508 1 614 . 1 1 66 66 ARG HB3 H 1 1.820 0.000 . 2 . . . . 66 R HB3 . 16508 1 615 . 1 1 66 66 ARG HD2 H 1 3.203 0.009 . 2 . . . . 66 R QD . 16508 1 616 . 1 1 66 66 ARG HD3 H 1 3.203 0.009 . 2 . . . . 66 R QD . 16508 1 617 . 1 1 66 66 ARG HG2 H 1 1.672 0.002 . 2 . . . . 66 R QG . 16508 1 618 . 1 1 66 66 ARG HG3 H 1 1.672 0.002 . 2 . . . . 66 R QG . 16508 1 619 . 1 1 66 66 ARG C C 13 176.613 0.027 . 1 . . . . 66 R C . 16508 1 620 . 1 1 66 66 ARG CA C 13 56.526 0.126 . 1 . . . . 66 R CA . 16508 1 621 . 1 1 66 66 ARG CB C 13 30.659 0.116 . 1 . . . . 66 R CB . 16508 1 622 . 1 1 66 66 ARG CD C 13 43.603 0.000 . 1 . . . . 66 R CD . 16508 1 623 . 1 1 66 66 ARG CG C 13 27.285 0.000 . 1 . . . . 66 R CG . 16508 1 624 . 1 1 66 66 ARG N N 15 120.428 0.063 . 1 . . . . 66 R N . 16508 1 625 . 1 1 67 67 ALA H H 1 8.162 0.005 . 1 . . . . 67 A H . 16508 1 626 . 1 1 67 67 ALA HA H 1 4.255 0.013 . 1 . . . . 67 A HA . 16508 1 627 . 1 1 67 67 ALA HB1 H 1 1.422 0.007 . 1 . . . . 67 A QB . 16508 1 628 . 1 1 67 67 ALA HB2 H 1 1.422 0.007 . 1 . . . . 67 A QB . 16508 1 629 . 1 1 67 67 ALA HB3 H 1 1.422 0.007 . 1 . . . . 67 A QB . 16508 1 630 . 1 1 67 67 ALA C C 13 177.952 0.006 . 1 . . . . 67 A C . 16508 1 631 . 1 1 67 67 ALA CA C 13 53.317 0.043 . 1 . . . . 67 A CA . 16508 1 632 . 1 1 67 67 ALA CB C 13 19.079 0.046 . 1 . . . . 67 A CB . 16508 1 633 . 1 1 67 67 ALA N N 15 123.867 0.068 . 1 . . . . 67 A N . 16508 1 634 . 1 1 68 68 ASP H H 1 8.162 0.005 . 1 . . . . 68 D H . 16508 1 635 . 1 1 68 68 ASP HA H 1 4.548 0.011 . 1 . . . . 68 D HA . 16508 1 636 . 1 1 68 68 ASP HB2 H 1 2.678 0.003 . 2 . . . . 68 D QB . 16508 1 637 . 1 1 68 68 ASP HB3 H 1 2.678 0.003 . 2 . . . . 68 D QB . 16508 1 638 . 1 1 68 68 ASP C C 13 176.604 0.011 . 1 . . . . 68 D C . 16508 1 639 . 1 1 68 68 ASP CA C 13 54.804 0.042 . 1 . . . . 68 D CA . 16508 1 640 . 1 1 68 68 ASP CB C 13 41.178 0.048 . 1 . . . . 68 D CB . 16508 1 641 . 1 1 68 68 ASP N N 15 118.528 0.039 . 1 . . . . 68 D N . 16508 1 642 . 1 1 69 69 ALA H H 1 8.004 0.004 . 1 . . . . 69 A H . 16508 1 643 . 1 1 69 69 ALA HA H 1 4.260 0.008 . 1 . . . . 69 A HA . 16508 1 644 . 1 1 69 69 ALA HB1 H 1 1.423 0.007 . 1 . . . . 69 A QB . 16508 1 645 . 1 1 69 69 ALA HB2 H 1 1.423 0.007 . 1 . . . . 69 A QB . 16508 1 646 . 1 1 69 69 ALA HB3 H 1 1.423 0.007 . 1 . . . . 69 A QB . 16508 1 647 . 1 1 69 69 ALA C C 13 178.264 0.016 . 1 . . . . 69 A C . 16508 1 648 . 1 1 69 69 ALA CA C 13 53.347 0.039 . 1 . . . . 69 A CA . 16508 1 649 . 1 1 69 69 ALA CB C 13 19.143 0.057 . 1 . . . . 69 A CB . 16508 1 650 . 1 1 69 69 ALA N N 15 123.339 0.023 . 1 . . . . 69 A N . 16508 1 651 . 1 1 70 70 LEU H H 1 8.022 0.004 . 1 . . . . 70 L H . 16508 1 652 . 1 1 70 70 LEU HA H 1 4.274 0.011 . 1 . . . . 70 L HA . 16508 1 653 . 1 1 70 70 LEU HB2 H 1 1.711 0.003 . 2 . . . . 70 L QB . 16508 1 654 . 1 1 70 70 LEU HB3 H 1 1.711 0.003 . 2 . . . . 70 L QB . 16508 1 655 . 1 1 70 70 LEU HD11 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1 656 . 1 1 70 70 LEU HD12 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1 657 . 1 1 70 70 LEU HD13 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1 658 . 1 1 70 70 LEU HD21 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1 659 . 1 1 70 70 LEU HD22 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1 660 . 1 1 70 70 LEU HD23 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1 661 . 1 1 70 70 LEU HG H 1 1.620 0.004 . 1 . . . . 70 L HG . 16508 1 662 . 1 1 70 70 LEU C C 13 177.739 0.002 . 1 . . . . 70 L C . 16508 1 663 . 1 1 70 70 LEU CA C 13 55.874 0.061 . 1 . . . . 70 L CA . 16508 1 664 . 1 1 70 70 LEU CB C 13 42.050 0.109 . 1 . . . . 70 L CB . 16508 1 665 . 1 1 70 70 LEU CD1 C 13 24.871 0.000 . 2 . . . . 70 L CD1 . 16508 1 666 . 1 1 70 70 LEU CD2 C 13 23.579 0.000 . 2 . . . . 70 L CD2 . 16508 1 667 . 1 1 70 70 LEU CG C 13 26.919 0.000 . 1 . . . . 70 L CG . 16508 1 668 . 1 1 70 70 LEU N N 15 119.453 0.032 . 1 . . . . 70 L N . 16508 1 669 . 1 1 71 71 GLN H H 1 8.045 0.006 . 1 . . . . 71 Q H . 16508 1 670 . 1 1 71 71 GLN HA H 1 4.266 0.004 . 1 . . . . 71 Q HA . 16508 1 671 . 1 1 71 71 GLN HB2 H 1 2.146 0.003 . 2 . . . . 71 Q HB2 . 16508 1 672 . 1 1 71 71 GLN HB3 H 1 2.024 0.003 . 2 . . . . 71 Q HB3 . 16508 1 673 . 1 1 71 71 GLN HG2 H 1 2.382 0.003 . 2 . . . . 71 Q QG . 16508 1 674 . 1 1 71 71 GLN HG3 H 1 2.382 0.003 . 2 . . . . 71 Q QG . 16508 1 675 . 1 1 71 71 GLN C C 13 176.139 0.014 . 1 . . . . 71 Q C . 16508 1 676 . 1 1 71 71 GLN CA C 13 56.330 0.160 . 1 . . . . 71 Q CA . 16508 1 677 . 1 1 71 71 GLN CB C 13 29.307 0.131 . 1 . . . . 71 Q CB . 16508 1 678 . 1 1 71 71 GLN CG C 13 34.115 0.000 . 1 . . . . 71 Q CG . 16508 1 679 . 1 1 71 71 GLN N N 15 119.632 0.044 . 1 . . . . 71 Q N . 16508 1 680 . 1 1 72 72 ALA H H 1 8.143 0.004 . 1 . . . . 72 A H . 16508 1 681 . 1 1 72 72 ALA HA H 1 4.287 0.004 . 1 . . . . 72 A HA . 16508 1 682 . 1 1 72 72 ALA HB1 H 1 1.421 0.004 . 1 . . . . 72 A QB . 16508 1 683 . 1 1 72 72 ALA HB2 H 1 1.421 0.004 . 1 . . . . 72 A QB . 16508 1 684 . 1 1 72 72 ALA HB3 H 1 1.421 0.004 . 1 . . . . 72 A QB . 16508 1 685 . 1 1 72 72 ALA C C 13 178.454 0.011 . 1 . . . . 72 A C . 16508 1 686 . 1 1 72 72 ALA CA C 13 53.117 0.040 . 1 . . . . 72 A CA . 16508 1 687 . 1 1 72 72 ALA CB C 13 19.166 0.098 . 1 . . . . 72 A CB . 16508 1 688 . 1 1 72 72 ALA N N 15 124.135 0.036 . 1 . . . . 72 A N . 16508 1 689 . 1 1 73 73 GLY H H 1 8.263 0.005 . 1 . . . . 73 G H . 16508 1 690 . 1 1 73 73 GLY HA2 H 1 3.958 0.016 . 2 . . . . 73 G QA . 16508 1 691 . 1 1 73 73 GLY HA3 H 1 3.958 0.016 . 2 . . . . 73 G QA . 16508 1 692 . 1 1 73 73 GLY C C 13 174.191 0.011 . 1 . . . . 73 G C . 16508 1 693 . 1 1 73 73 GLY CA C 13 45.600 0.078 . 1 . . . . 73 G CA . 16508 1 694 . 1 1 73 73 GLY N N 15 107.702 0.039 . 1 . . . . 73 G N . 16508 1 695 . 1 1 74 74 ALA H H 1 8.052 0.007 . 1 . . . . 74 A H . 16508 1 696 . 1 1 74 74 ALA HA H 1 4.337 0.012 . 1 . . . . 74 A HA . 16508 1 697 . 1 1 74 74 ALA HB1 H 1 1.431 0.002 . 1 . . . . 74 A QB . 16508 1 698 . 1 1 74 74 ALA HB2 H 1 1.431 0.002 . 1 . . . . 74 A QB . 16508 1 699 . 1 1 74 74 ALA HB3 H 1 1.431 0.002 . 1 . . . . 74 A QB . 16508 1 700 . 1 1 74 74 ALA C C 13 178.110 0.023 . 1 . . . . 74 A C . 16508 1 701 . 1 1 74 74 ALA CA C 13 52.913 0.093 . 1 . . . . 74 A CA . 16508 1 702 . 1 1 74 74 ALA CB C 13 19.476 0.088 . 1 . . . . 74 A CB . 16508 1 703 . 1 1 74 74 ALA N N 15 123.323 0.030 . 1 . . . . 74 A N . 16508 1 704 . 1 1 75 75 SER H H 1 8.255 0.004 . 1 . . . . 75 S H . 16508 1 705 . 1 1 75 75 SER HA H 1 4.445 0.005 . 1 . . . . 75 S HA . 16508 1 706 . 1 1 75 75 SER HB2 H 1 3.989 0.002 . 2 . . . . 75 S HB2 . 16508 1 707 . 1 1 75 75 SER HB3 H 1 3.909 0.005 . 2 . . . . 75 S HB3 . 16508 1 708 . 1 1 75 75 SER C C 13 175.222 0.025 . 1 . . . . 75 S C . 16508 1 709 . 1 1 75 75 SER CA C 13 58.780 0.045 . 1 . . . . 75 S CA . 16508 1 710 . 1 1 75 75 SER CB C 13 63.987 0.168 . 1 . . . . 75 S CB . 16508 1 711 . 1 1 75 75 SER N N 15 114.446 0.026 . 1 . . . . 75 S N . 16508 1 712 . 1 1 76 76 GLN H H 1 8.382 0.009 . 1 . . . . 76 Q H . 16508 1 713 . 1 1 76 76 GLN HA H 1 4.232 0.000 . 1 . . . . 76 Q HA . 16508 1 714 . 1 1 76 76 GLN HB2 H 1 1.966 0.000 . 2 . . . . 76 Q QB . 16508 1 715 . 1 1 76 76 GLN HB3 H 1 1.966 0.000 . 2 . . . . 76 Q QB . 16508 1 716 . 1 1 76 76 GLN HG2 H 1 2.227 0.018 . 2 . . . . 76 Q QG . 16508 1 717 . 1 1 76 76 GLN HG3 H 1 2.227 0.018 . 2 . . . . 76 Q QG . 16508 1 718 . 1 1 76 76 GLN C C 13 176.490 0.058 . 1 . . . . 76 Q C . 16508 1 719 . 1 1 76 76 GLN CA C 13 57.049 0.133 . 1 . . . . 76 Q CA . 16508 1 720 . 1 1 76 76 GLN CB C 13 29.179 0.031 . 1 . . . . 76 Q CB . 16508 1 721 . 1 1 76 76 GLN CG C 13 33.588 0.000 . 1 . . . . 76 Q CG . 16508 1 722 . 1 1 76 76 GLN N N 15 121.827 0.039 . 1 . . . . 76 Q N . 16508 1 723 . 1 1 77 77 PHE H H 1 8.178 0.006 . 1 . . . . 77 F H . 16508 1 724 . 1 1 77 77 PHE HA H 1 4.543 0.013 . 1 . . . . 77 F HA . 16508 1 725 . 1 1 77 77 PHE HB2 H 1 3.206 0.009 . 2 . . . . 77 F HB2 . 16508 1 726 . 1 1 77 77 PHE HB3 H 1 3.068 0.008 . 2 . . . . 77 F HB3 . 16508 1 727 . 1 1 77 77 PHE HD1 H 1 7.261 0.000 . 3 . . . . 77 F QD . 16508 1 728 . 1 1 77 77 PHE HD2 H 1 7.261 0.000 . 3 . . . . 77 F QD . 16508 1 729 . 1 1 77 77 PHE C C 13 175.901 0.029 . 1 . . . . 77 F C . 16508 1 730 . 1 1 77 77 PHE CA C 13 58.826 0.033 . 1 . . . . 77 F CA . 16508 1 731 . 1 1 77 77 PHE CB C 13 39.552 0.067 . 1 . . . . 77 F CB . 16508 1 732 . 1 1 77 77 PHE N N 15 119.792 0.069 . 1 . . . . 77 F N . 16508 1 733 . 1 1 78 78 GLU H H 1 8.143 0.005 . 1 . . . . 78 E H . 16508 1 734 . 1 1 78 78 GLU HA H 1 4.250 0.000 . 1 . . . . 78 E HA . 16508 1 735 . 1 1 78 78 GLU HB2 H 1 2.054 0.008 . 2 . . . . 78 E QB . 16508 1 736 . 1 1 78 78 GLU HB3 H 1 2.054 0.008 . 2 . . . . 78 E QB . 16508 1 737 . 1 1 78 78 GLU HG2 H 1 2.290 0.000 . 2 . . . . 78 E QG . 16508 1 738 . 1 1 78 78 GLU HG3 H 1 2.290 0.000 . 2 . . . . 78 E QG . 16508 1 739 . 1 1 78 78 GLU C C 13 177.177 0.007 . 1 . . . . 78 E C . 16508 1 740 . 1 1 78 78 GLU CA C 13 57.638 0.073 . 1 . . . . 78 E CA . 16508 1 741 . 1 1 78 78 GLU CB C 13 30.459 0.019 . 1 . . . . 78 E CB . 16508 1 742 . 1 1 78 78 GLU N N 15 120.842 0.040 . 1 . . . . 78 E N . 16508 1 743 . 1 1 79 79 THR H H 1 8.073 0.004 . 1 . . . . 79 T H . 16508 1 744 . 1 1 79 79 THR HA H 1 4.247 0.009 . 1 . . . . 79 T HA . 16508 1 745 . 1 1 79 79 THR HB H 1 4.408 0.007 . 1 . . . . 79 T HB . 16508 1 746 . 1 1 79 79 THR HG21 H 1 1.288 0.009 . 1 . . . . 79 T QG2 . 16508 1 747 . 1 1 79 79 THR HG22 H 1 1.288 0.009 . 1 . . . . 79 T QG2 . 16508 1 748 . 1 1 79 79 THR HG23 H 1 1.288 0.009 . 1 . . . . 79 T QG2 . 16508 1 749 . 1 1 79 79 THR C C 13 175.658 0.021 . 1 . . . . 79 T C . 16508 1 750 . 1 1 79 79 THR CA C 13 63.099 0.052 . 1 . . . . 79 T CA . 16508 1 751 . 1 1 79 79 THR CB C 13 69.546 0.084 . 1 . . . . 79 T CB . 16508 1 752 . 1 1 79 79 THR N N 15 114.057 0.038 . 1 . . . . 79 T N . 16508 1 753 . 1 1 80 80 SER H H 1 8.325 0.006 . 1 . . . . 80 S H . 16508 1 754 . 1 1 80 80 SER HA H 1 4.290 0.017 . 1 . . . . 80 S HA . 16508 1 755 . 1 1 80 80 SER HB2 H 1 3.862 0.001 . 2 . . . . 80 S QB . 16508 1 756 . 1 1 80 80 SER HB3 H 1 3.862 0.001 . 2 . . . . 80 S QB . 16508 1 757 . 1 1 80 80 SER C C 13 175.557 0.018 . 1 . . . . 80 S C . 16508 1 758 . 1 1 80 80 SER CA C 13 60.862 0.059 . 1 . . . . 80 S CA . 16508 1 759 . 1 1 80 80 SER CB C 13 63.522 0.027 . 1 . . . . 80 S CB . 16508 1 760 . 1 1 80 80 SER N N 15 117.704 0.082 . 1 . . . . 80 S N . 16508 1 761 . 1 1 81 81 ALA H H 1 8.422 0.005 . 1 . . . . 81 A H . 16508 1 762 . 1 1 81 81 ALA HA H 1 4.058 0.008 . 1 . . . . 81 A HA . 16508 1 763 . 1 1 81 81 ALA HB1 H 1 1.381 0.010 . 1 . . . . 81 A QB . 16508 1 764 . 1 1 81 81 ALA HB2 H 1 1.381 0.010 . 1 . . . . 81 A QB . 16508 1 765 . 1 1 81 81 ALA HB3 H 1 1.381 0.010 . 1 . . . . 81 A QB . 16508 1 766 . 1 1 81 81 ALA C C 13 178.631 0.005 . 1 . . . . 81 A C . 16508 1 767 . 1 1 81 81 ALA CA C 13 54.661 0.027 . 1 . . . . 81 A CA . 16508 1 768 . 1 1 81 81 ALA CB C 13 18.491 0.024 . 1 . . . . 81 A CB . 16508 1 769 . 1 1 81 81 ALA N N 15 124.268 0.045 . 1 . . . . 81 A N . 16508 1 770 . 1 1 82 82 ALA H H 1 7.914 0.004 . 1 . . . . 82 A H . 16508 1 771 . 1 1 82 82 ALA HA H 1 4.079 0.014 . 1 . . . . 82 A HA . 16508 1 772 . 1 1 82 82 ALA HB1 H 1 1.488 0.006 . 1 . . . . 82 A QB . 16508 1 773 . 1 1 82 82 ALA HB2 H 1 1.488 0.006 . 1 . . . . 82 A QB . 16508 1 774 . 1 1 82 82 ALA HB3 H 1 1.488 0.006 . 1 . . . . 82 A QB . 16508 1 775 . 1 1 82 82 ALA C C 13 179.640 0.025 . 1 . . . . 82 A C . 16508 1 776 . 1 1 82 82 ALA CA C 13 54.554 0.085 . 1 . . . . 82 A CA . 16508 1 777 . 1 1 82 82 ALA CB C 13 18.689 0.035 . 1 . . . . 82 A CB . 16508 1 778 . 1 1 82 82 ALA N N 15 120.020 0.041 . 1 . . . . 82 A N . 16508 1 779 . 1 1 83 83 LYS H H 1 7.814 0.004 . 1 . . . . 83 K H . 16508 1 780 . 1 1 83 83 LYS HA H 1 4.075 0.004 . 1 . . . . 83 K HA . 16508 1 781 . 1 1 83 83 LYS HB2 H 1 1.884 0.000 . 2 . . . . 83 K QB . 16508 1 782 . 1 1 83 83 LYS HB3 H 1 1.884 0.000 . 2 . . . . 83 K QB . 16508 1 783 . 1 1 83 83 LYS HD2 H 1 1.708 0.000 . 2 . . . . 83 K QD . 16508 1 784 . 1 1 83 83 LYS HD3 H 1 1.708 0.000 . 2 . . . . 83 K QD . 16508 1 785 . 1 1 83 83 LYS HE2 H 1 2.973 0.000 . 2 . . . . 83 K QE . 16508 1 786 . 1 1 83 83 LYS HE3 H 1 2.973 0.000 . 2 . . . . 83 K QE . 16508 1 787 . 1 1 83 83 LYS HG2 H 1 1.562 0.000 . 2 . . . . 83 K QG . 16508 1 788 . 1 1 83 83 LYS HG3 H 1 1.562 0.000 . 2 . . . . 83 K QG . 16508 1 789 . 1 1 83 83 LYS C C 13 178.224 0.009 . 1 . . . . 83 K C . 16508 1 790 . 1 1 83 83 LYS CA C 13 58.470 0.081 . 1 . . . . 83 K CA . 16508 1 791 . 1 1 83 83 LYS CB C 13 32.634 0.031 . 1 . . . . 83 K CB . 16508 1 792 . 1 1 83 83 LYS N N 15 117.798 0.035 . 1 . . . . 83 K N . 16508 1 793 . 1 1 84 84 LEU H H 1 7.878 0.003 . 1 . . . . 84 L H . 16508 1 794 . 1 1 84 84 LEU HA H 1 4.179 0.008 . 1 . . . . 84 L HA . 16508 1 795 . 1 1 84 84 LEU HB2 H 1 1.598 0.000 . 2 . . . . 84 L QB . 16508 1 796 . 1 1 84 84 LEU HB3 H 1 1.598 0.000 . 2 . . . . 84 L QB . 16508 1 797 . 1 1 84 84 LEU HD11 H 1 0.949 0.000 . 1 . . . . 84 L QD1 . 16508 1 798 . 1 1 84 84 LEU HD12 H 1 0.949 0.000 . 1 . . . . 84 L QD1 . 16508 1 799 . 1 1 84 84 LEU HD13 H 1 0.949 0.000 . 1 . . . . 84 L QD1 . 16508 1 800 . 1 1 84 84 LEU HD21 H 1 0.919 0.000 . 1 . . . . 84 L QD2 . 16508 1 801 . 1 1 84 84 LEU HD22 H 1 0.919 0.000 . 1 . . . . 84 L QD2 . 16508 1 802 . 1 1 84 84 LEU HD23 H 1 0.919 0.000 . 1 . . . . 84 L QD2 . 16508 1 803 . 1 1 84 84 LEU C C 13 178.043 0.016 . 1 . . . . 84 L C . 16508 1 804 . 1 1 84 84 LEU CA C 13 56.756 0.049 . 1 . . . . 84 L CA . 16508 1 805 . 1 1 84 84 LEU CB C 13 42.254 0.028 . 1 . . . . 84 L CB . 16508 1 806 . 1 1 84 84 LEU N N 15 119.702 0.060 . 1 . . . . 84 L N . 16508 1 807 . 1 1 85 85 LYS H H 1 7.962 0.005 . 1 . . . . 85 K H . 16508 1 808 . 1 1 85 85 LYS HA H 1 4.075 0.000 . 1 . . . . 85 K HA . 16508 1 809 . 1 1 85 85 LYS C C 13 177.318 0.006 . 1 . . . . 85 K C . 16508 1 810 . 1 1 85 85 LYS CA C 13 58.182 0.072 . 1 . . . . 85 K CA . 16508 1 811 . 1 1 85 85 LYS CB C 13 32.671 0.033 . 1 . . . . 85 K CB . 16508 1 812 . 1 1 85 85 LYS N N 15 118.996 0.048 . 1 . . . . 85 K N . 16508 1 813 . 1 1 86 86 ARG H H 1 7.802 0.005 . 1 . . . . 86 R H . 16508 1 814 . 1 1 86 86 ARG HA H 1 4.112 0.009 . 1 . . . . 86 R HA . 16508 1 815 . 1 1 86 86 ARG HB2 H 1 1.822 0.011 . 2 . . . . 86 R HB2 . 16508 1 816 . 1 1 86 86 ARG HB3 H 1 1.667 0.000 . 2 . . . . 86 R HB3 . 16508 1 817 . 1 1 86 86 ARG HD2 H 1 3.175 0.000 . 2 . . . . 86 R QD . 16508 1 818 . 1 1 86 86 ARG HD3 H 1 3.175 0.000 . 2 . . . . 86 R QD . 16508 1 819 . 1 1 86 86 ARG HG2 H 1 1.610 0.005 . 2 . . . . 86 R QG . 16508 1 820 . 1 1 86 86 ARG HG3 H 1 1.610 0.005 . 2 . . . . 86 R QG . 16508 1 821 . 1 1 86 86 ARG C C 13 176.968 0.030 . 1 . . . . 86 R C . 16508 1 822 . 1 1 86 86 ARG CA C 13 57.462 0.159 . 1 . . . . 86 R CA . 16508 1 823 . 1 1 86 86 ARG CB C 13 30.633 0.099 . 1 . . . . 86 R CB . 16508 1 824 . 1 1 86 86 ARG N N 15 118.431 0.059 . 1 . . . . 86 R N . 16508 1 825 . 1 1 87 87 LYS H H 1 7.836 0.007 . 1 . . . . 87 K H . 16508 1 826 . 1 1 87 87 LYS HA H 1 4.582 0.009 . 1 . . . . 87 K HA . 16508 1 827 . 1 1 87 87 LYS HD2 H 1 1.584 0.008 . 2 . . . . 87 K QD . 16508 1 828 . 1 1 87 87 LYS HD3 H 1 1.584 0.008 . 2 . . . . 87 K QD . 16508 1 829 . 1 1 87 87 LYS HE2 H 1 2.906 0.000 . 2 . . . . 87 K QE . 16508 1 830 . 1 1 87 87 LYS HE3 H 1 2.906 0.000 . 2 . . . . 87 K QE . 16508 1 831 . 1 1 87 87 LYS HG2 H 1 1.356 0.006 . 2 . . . . 87 K QG . 16508 1 832 . 1 1 87 87 LYS HG3 H 1 1.356 0.006 . 2 . . . . 87 K QG . 16508 1 833 . 1 1 87 87 LYS C C 13 177.210 0.028 . 1 . . . . 87 K C . 16508 1 834 . 1 1 87 87 LYS CA C 13 57.500 0.036 . 1 . . . . 87 K CA . 16508 1 835 . 1 1 87 87 LYS CB C 13 32.940 0.030 . 1 . . . . 87 K CB . 16508 1 836 . 1 1 87 87 LYS CE C 13 42.141 0.000 . 1 . . . . 87 K CE . 16508 1 837 . 1 1 87 87 LYS N N 15 118.939 0.082 . 1 . . . . 87 K N . 16508 1 838 . 1 1 88 88 TYR H H 1 7.955 0.007 . 1 . . . . 88 Y H . 16508 1 839 . 1 1 88 88 TYR HA H 1 4.437 0.007 . 1 . . . . 88 Y HA . 16508 1 840 . 1 1 88 88 TYR HB2 H 1 2.726 0.010 . 2 . . . . 88 Y QB . 16508 1 841 . 1 1 88 88 TYR HB3 H 1 2.726 0.010 . 2 . . . . 88 Y QB . 16508 1 842 . 1 1 88 88 TYR C C 13 176.811 0.022 . 1 . . . . 88 Y C . 16508 1 843 . 1 1 88 88 TYR CA C 13 58.177 0.049 . 1 . . . . 88 Y CA . 16508 1 844 . 1 1 88 88 TYR N N 15 116.827 0.080 . 1 . . . . 88 Y N . 16508 1 845 . 1 1 89 89 TRP H H 1 7.907 0.004 . 1 . . . . 89 W H . 16508 1 846 . 1 1 89 89 TRP HA H 1 4.081 0.000 . 1 . . . . 89 W HA . 16508 1 847 . 1 1 89 89 TRP HB2 H 1 3.343 0.000 . 2 . . . . 89 W QB . 16508 1 848 . 1 1 89 89 TRP HB3 H 1 3.343 0.000 . 2 . . . . 89 W QB . 16508 1 849 . 1 1 89 89 TRP CA C 13 58.621 0.000 . 1 . . . . 89 W CA . 16508 1 850 . 1 1 89 89 TRP N N 15 120.554 0.094 . 1 . . . . 89 W N . 16508 1 851 . 1 1 90 90 TRP H H 1 7.068 0.001 . 1 . . . . 90 W H . 16508 1 852 . 1 1 90 90 TRP C C 13 175.552 0.000 . 1 . . . . 90 W C . 16508 1 853 . 1 1 90 90 TRP CA C 13 57.746 0.013 . 1 . . . . 90 W CA . 16508 1 854 . 1 1 90 90 TRP CB C 13 28.950 0.000 . 1 . . . . 90 W CB . 16508 1 855 . 1 1 90 90 TRP N N 15 120.030 0.015 . 1 . . . . 90 W N . 16508 1 856 . 1 1 91 91 LYS H H 1 7.390 0.005 . 1 . . . . 91 K H . 16508 1 857 . 1 1 91 91 LYS HA H 1 4.135 0.010 . 1 . . . . 91 K HA . 16508 1 858 . 1 1 91 91 LYS HB2 H 1 1.791 0.005 . 2 . . . . 91 K QB . 16508 1 859 . 1 1 91 91 LYS HB3 H 1 1.791 0.005 . 2 . . . . 91 K QB . 16508 1 860 . 1 1 91 91 LYS HD2 H 1 1.457 0.001 . 2 . . . . 91 K QD . 16508 1 861 . 1 1 91 91 LYS HD3 H 1 1.457 0.001 . 2 . . . . 91 K QD . 16508 1 862 . 1 1 91 91 LYS HE2 H 1 2.923 0.002 . 2 . . . . 91 K QE . 16508 1 863 . 1 1 91 91 LYS HE3 H 1 2.923 0.002 . 2 . . . . 91 K QE . 16508 1 864 . 1 1 91 91 LYS HG2 H 1 1.181 0.003 . 2 . . . . 91 K QG . 16508 1 865 . 1 1 91 91 LYS HG3 H 1 1.181 0.003 . 2 . . . . 91 K QG . 16508 1 866 . 1 1 91 91 LYS C C 13 175.973 0.003 . 1 . . . . 91 K C . 16508 1 867 . 1 1 91 91 LYS CA C 13 57.144 0.081 . 1 . . . . 91 K CA . 16508 1 868 . 1 1 91 91 LYS CB C 13 32.600 0.024 . 1 . . . . 91 K CB . 16508 1 869 . 1 1 91 91 LYS N N 15 117.647 0.049 . 1 . . . . 91 K N . 16508 1 870 . 1 1 92 92 ASN H H 1 7.668 0.006 . 1 . . . . 92 N H . 16508 1 871 . 1 1 92 92 ASN HA H 1 4.791 0.003 . 1 . . . . 92 N HA . 16508 1 872 . 1 1 92 92 ASN HB2 H 1 2.788 0.000 . 2 . . . . 92 N HB2 . 16508 1 873 . 1 1 92 92 ASN HB3 H 1 2.588 0.001 . 2 . . . . 92 N HB3 . 16508 1 874 . 1 1 92 92 ASN C C 13 174.915 0.050 . 1 . . . . 92 N C . 16508 1 875 . 1 1 92 92 ASN CA C 13 53.016 0.082 . 1 . . . . 92 N CA . 16508 1 876 . 1 1 92 92 ASN CB C 13 39.908 0.013 . 1 . . . . 92 N CB . 16508 1 877 . 1 1 92 92 ASN N N 15 117.620 0.039 . 1 . . . . 92 N N . 16508 1 878 . 1 1 93 93 LEU H H 1 8.451 0.004 . 1 . . . . 93 L H . 16508 1 879 . 1 1 93 93 LEU HA H 1 4.037 0.007 . 1 . . . . 93 L HA . 16508 1 880 . 1 1 93 93 LEU HB2 H 1 1.705 0.000 . 2 . . . . 93 L QB . 16508 1 881 . 1 1 93 93 LEU HB3 H 1 1.705 0.000 . 2 . . . . 93 L QB . 16508 1 882 . 1 1 93 93 LEU HD11 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1 883 . 1 1 93 93 LEU HD12 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1 884 . 1 1 93 93 LEU HD13 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1 885 . 1 1 93 93 LEU HD21 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1 886 . 1 1 93 93 LEU HD22 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1 887 . 1 1 93 93 LEU HD23 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1 888 . 1 1 93 93 LEU C C 13 177.589 0.000 . 1 . . . . 93 L C . 16508 1 889 . 1 1 93 93 LEU CA C 13 58.336 0.027 . 1 . . . . 93 L CA . 16508 1 890 . 1 1 93 93 LEU CB C 13 42.002 0.000 . 1 . . . . 93 L CB . 16508 1 891 . 1 1 93 93 LEU N N 15 124.309 0.036 . 1 . . . . 93 L N . 16508 1 892 . 1 1 94 94 LYS H H 1 8.207 0.003 . 1 . . . . 94 K H . 16508 1 893 . 1 1 94 94 LYS HA H 1 3.817 0.027 . 1 . . . . 94 K HA . 16508 1 894 . 1 1 94 94 LYS HB2 H 1 1.902 0.008 . 2 . . . . 94 K HB2 . 16508 1 895 . 1 1 94 94 LYS HB3 H 1 1.710 0.000 . 2 . . . . 94 K HB3 . 16508 1 896 . 1 1 94 94 LYS HD2 H 1 1.507 0.008 . 2 . . . . 94 K QD . 16508 1 897 . 1 1 94 94 LYS HD3 H 1 1.507 0.008 . 2 . . . . 94 K QD . 16508 1 898 . 1 1 94 94 LYS HE2 H 1 2.917 0.001 . 2 . . . . 94 K QE . 16508 1 899 . 1 1 94 94 LYS HE3 H 1 2.917 0.001 . 2 . . . . 94 K QE . 16508 1 900 . 1 1 94 94 LYS HG2 H 1 1.313 0.005 . 2 . . . . 94 K QG . 16508 1 901 . 1 1 94 94 LYS HG3 H 1 1.313 0.005 . 2 . . . . 94 K QG . 16508 1 902 . 1 1 94 94 LYS C C 13 177.736 0.020 . 1 . . . . 94 K C . 16508 1 903 . 1 1 94 94 LYS CA C 13 60.745 0.039 . 1 . . . . 94 K CA . 16508 1 904 . 1 1 94 94 LYS CB C 13 32.282 0.023 . 1 . . . . 94 K CB . 16508 1 905 . 1 1 94 94 LYS CE C 13 42.119 0.000 . 1 . . . . 94 K CE . 16508 1 906 . 1 1 94 94 LYS N N 15 117.651 0.065 . 1 . . . . 94 K N . 16508 1 907 . 1 1 95 95 MET H H 1 7.958 0.004 . 1 . . . . 95 M H . 16508 1 908 . 1 1 95 95 MET HA H 1 4.210 0.011 . 1 . . . . 95 M HA . 16508 1 909 . 1 1 95 95 MET HB2 H 1 2.112 0.002 . 2 . . . . 95 M QB . 16508 1 910 . 1 1 95 95 MET HB3 H 1 2.112 0.002 . 2 . . . . 95 M QB . 16508 1 911 . 1 1 95 95 MET HE1 H 1 1.818 0.006 . 1 . . . . 95 M QE . 16508 1 912 . 1 1 95 95 MET HE2 H 1 1.818 0.006 . 1 . . . . 95 M QE . 16508 1 913 . 1 1 95 95 MET HE3 H 1 1.818 0.006 . 1 . . . . 95 M QE . 16508 1 914 . 1 1 95 95 MET HG2 H 1 2.581 0.000 . 2 . . . . 95 M QG . 16508 1 915 . 1 1 95 95 MET HG3 H 1 2.581 0.000 . 2 . . . . 95 M QG . 16508 1 916 . 1 1 95 95 MET C C 13 177.800 0.017 . 1 . . . . 95 M C . 16508 1 917 . 1 1 95 95 MET CA C 13 58.097 0.100 . 1 . . . . 95 M CA . 16508 1 918 . 1 1 95 95 MET CB C 13 32.502 0.045 . 1 . . . . 95 M CB . 16508 1 919 . 1 1 95 95 MET N N 15 115.523 0.051 . 1 . . . . 95 M N . 16508 1 920 . 1 1 96 96 MET H H 1 8.001 0.007 . 1 . . . . 96 M H . 16508 1 921 . 1 1 96 96 MET HA H 1 4.222 0.017 . 1 . . . . 96 M HA . 16508 1 922 . 1 1 96 96 MET HG2 H 1 2.588 0.006 . 2 . . . . 96 M QG . 16508 1 923 . 1 1 96 96 MET HG3 H 1 2.588 0.006 . 2 . . . . 96 M QG . 16508 1 924 . 1 1 96 96 MET C C 13 178.007 0.012 . 1 . . . . 96 M C . 16508 1 925 . 1 1 96 96 MET CA C 13 58.341 0.051 . 1 . . . . 96 M CA . 16508 1 926 . 1 1 96 96 MET CB C 13 32.328 0.074 . 1 . . . . 96 M CB . 16508 1 927 . 1 1 96 96 MET N N 15 116.603 0.077 . 1 . . . . 96 M N . 16508 1 928 . 1 1 97 97 ILE H H 1 8.218 0.005 . 1 . . . . 97 I H . 16508 1 929 . 1 1 97 97 ILE HA H 1 3.698 0.010 . 1 . . . . 97 I HA . 16508 1 930 . 1 1 97 97 ILE HB H 1 2.050 0.013 . 1 . . . . 97 I HB . 16508 1 931 . 1 1 97 97 ILE HD11 H 1 0.876 0.013 . 1 . . . . 97 I QD1 . 16508 1 932 . 1 1 97 97 ILE HD12 H 1 0.876 0.013 . 1 . . . . 97 I QD1 . 16508 1 933 . 1 1 97 97 ILE HD13 H 1 0.876 0.013 . 1 . . . . 97 I QD1 . 16508 1 934 . 1 1 97 97 ILE HG12 H 1 1.296 0.004 . 1 . . . . 97 I QG1 . 16508 1 935 . 1 1 97 97 ILE HG13 H 1 1.296 0.004 . 1 . . . . 97 I QG1 . 16508 1 936 . 1 1 97 97 ILE HG21 H 1 1.064 0.005 . 1 . . . . 97 I QG2 . 16508 1 937 . 1 1 97 97 ILE HG22 H 1 1.064 0.005 . 1 . . . . 97 I QG2 . 16508 1 938 . 1 1 97 97 ILE HG23 H 1 1.064 0.005 . 1 . . . . 97 I QG2 . 16508 1 939 . 1 1 97 97 ILE C C 13 177.168 0.046 . 1 . . . . 97 I C . 16508 1 940 . 1 1 97 97 ILE CA C 13 65.400 0.156 . 1 . . . . 97 I CA . 16508 1 941 . 1 1 97 97 ILE CB C 13 37.563 0.048 . 1 . . . . 97 I CB . 16508 1 942 . 1 1 97 97 ILE N N 15 118.065 0.070 . 1 . . . . 97 I N . 16508 1 943 . 1 1 98 98 ILE H H 1 7.877 0.005 . 1 . . . . 98 I H . 16508 1 944 . 1 1 98 98 ILE HA H 1 3.574 0.012 . 1 . . . . 98 I HA . 16508 1 945 . 1 1 98 98 ILE HB H 1 2.026 0.015 . 1 . . . . 98 I HB . 16508 1 946 . 1 1 98 98 ILE HD11 H 1 0.894 0.004 . 1 . . . . 98 I QD1 . 16508 1 947 . 1 1 98 98 ILE HD12 H 1 0.894 0.004 . 1 . . . . 98 I QD1 . 16508 1 948 . 1 1 98 98 ILE HD13 H 1 0.894 0.004 . 1 . . . . 98 I QD1 . 16508 1 949 . 1 1 98 98 ILE HG12 H 1 1.304 0.000 . 1 . . . . 98 I QG1 . 16508 1 950 . 1 1 98 98 ILE HG13 H 1 1.304 0.000 . 1 . . . . 98 I QG1 . 16508 1 951 . 1 1 98 98 ILE HG21 H 1 1.046 0.002 . 1 . . . . 98 I QG2 . 16508 1 952 . 1 1 98 98 ILE HG22 H 1 1.046 0.002 . 1 . . . . 98 I QG2 . 16508 1 953 . 1 1 98 98 ILE HG23 H 1 1.046 0.002 . 1 . . . . 98 I QG2 . 16508 1 954 . 1 1 98 98 ILE C C 13 177.288 0.006 . 1 . . . . 98 I C . 16508 1 955 . 1 1 98 98 ILE CA C 13 66.021 0.068 . 1 . . . . 98 I CA . 16508 1 956 . 1 1 98 98 ILE CB C 13 37.645 0.055 . 1 . . . . 98 I CB . 16508 1 957 . 1 1 98 98 ILE N N 15 118.726 0.058 . 1 . . . . 98 I N . 16508 1 958 . 1 1 99 99 LEU H H 1 8.335 0.004 . 1 . . . . 99 L H . 16508 1 959 . 1 1 99 99 LEU HA H 1 4.034 0.010 . 1 . . . . 99 L HA . 16508 1 960 . 1 1 99 99 LEU HB2 H 1 1.865 0.008 . 2 . . . . 99 L QB . 16508 1 961 . 1 1 99 99 LEU HB3 H 1 1.865 0.008 . 2 . . . . 99 L QB . 16508 1 962 . 1 1 99 99 LEU HD11 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1 963 . 1 1 99 99 LEU HD12 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1 964 . 1 1 99 99 LEU HD13 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1 965 . 1 1 99 99 LEU HD21 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1 966 . 1 1 99 99 LEU HD22 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1 967 . 1 1 99 99 LEU HD23 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1 968 . 1 1 99 99 LEU HG H 1 1.667 0.010 . 1 . . . . 99 L HG . 16508 1 969 . 1 1 99 99 LEU C C 13 178.887 0.009 . 1 . . . . 99 L C . 16508 1 970 . 1 1 99 99 LEU CA C 13 58.304 0.062 . 1 . . . . 99 L CA . 16508 1 971 . 1 1 99 99 LEU CB C 13 41.747 0.138 . 1 . . . . 99 L CB . 16508 1 972 . 1 1 99 99 LEU N N 15 117.951 0.061 . 1 . . . . 99 L N . 16508 1 973 . 1 1 100 100 GLY H H 1 8.597 0.004 . 1 . . . . 100 G H . 16508 1 974 . 1 1 100 100 GLY HA2 H 1 3.620 0.004 . 2 . . . . 100 G QA . 16508 1 975 . 1 1 100 100 GLY HA3 H 1 3.620 0.004 . 2 . . . . 100 G QA . 16508 1 976 . 1 1 100 100 GLY C C 13 174.313 0.071 . 1 . . . . 100 G C . 16508 1 977 . 1 1 100 100 GLY CA C 13 47.880 0.047 . 1 . . . . 100 G CA . 16508 1 978 . 1 1 100 100 GLY N N 15 107.337 0.028 . 1 . . . . 100 G N . 16508 1 979 . 1 1 101 101 VAL H H 1 8.474 0.004 . 1 . . . . 101 V H . 16508 1 980 . 1 1 101 101 VAL HA H 1 3.558 0.014 . 1 . . . . 101 V HA . 16508 1 981 . 1 1 101 101 VAL HB H 1 2.273 0.006 . 1 . . . . 101 V HB . 16508 1 982 . 1 1 101 101 VAL HG11 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1 983 . 1 1 101 101 VAL HG12 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1 984 . 1 1 101 101 VAL HG13 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1 985 . 1 1 101 101 VAL HG21 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1 986 . 1 1 101 101 VAL HG22 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1 987 . 1 1 101 101 VAL HG23 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1 988 . 1 1 101 101 VAL C C 13 177.371 0.027 . 1 . . . . 101 V C . 16508 1 989 . 1 1 101 101 VAL CA C 13 67.304 0.051 . 1 . . . . 101 V CA . 16508 1 990 . 1 1 101 101 VAL CB C 13 31.133 0.119 . 1 . . . . 101 V CB . 16508 1 991 . 1 1 101 101 VAL N N 15 120.931 0.057 . 1 . . . . 101 V N . 16508 1 992 . 1 1 102 102 ILE H H 1 8.197 0.006 . 1 . . . . 102 I H . 16508 1 993 . 1 1 102 102 ILE HA H 1 3.592 0.008 . 1 . . . . 102 I HA . 16508 1 994 . 1 1 102 102 ILE HB H 1 2.088 0.005 . 1 . . . . 102 I HB . 16508 1 995 . 1 1 102 102 ILE HD11 H 1 0.882 0.004 . 1 . . . . 102 I QD1 . 16508 1 996 . 1 1 102 102 ILE HD12 H 1 0.882 0.004 . 1 . . . . 102 I QD1 . 16508 1 997 . 1 1 102 102 ILE HD13 H 1 0.882 0.004 . 1 . . . . 102 I QD1 . 16508 1 998 . 1 1 102 102 ILE HG12 H 1 1.295 0.003 . 1 . . . . 102 I QG1 . 16508 1 999 . 1 1 102 102 ILE HG13 H 1 1.295 0.003 . 1 . . . . 102 I QG1 . 16508 1 1000 . 1 1 102 102 ILE HG21 H 1 1.050 0.000 . 1 . . . . 102 I QG2 . 16508 1 1001 . 1 1 102 102 ILE HG22 H 1 1.050 0.000 . 1 . . . . 102 I QG2 . 16508 1 1002 . 1 1 102 102 ILE HG23 H 1 1.050 0.000 . 1 . . . . 102 I QG2 . 16508 1 1003 . 1 1 102 102 ILE C C 13 177.560 0.025 . 1 . . . . 102 I C . 16508 1 1004 . 1 1 102 102 ILE CA C 13 65.925 0.067 . 1 . . . . 102 I CA . 16508 1 1005 . 1 1 102 102 ILE CB C 13 37.468 0.097 . 1 . . . . 102 I CB . 16508 1 1006 . 1 1 102 102 ILE N N 15 118.758 0.060 . 1 . . . . 102 I N . 16508 1 1007 . 1 1 103 103 CYS H H 1 8.453 0.003 . 1 . . . . 103 C H . 16508 1 1008 . 1 1 103 103 CYS HA H 1 3.941 0.008 . 1 . . . . 103 C HA . 16508 1 1009 . 1 1 103 103 CYS HB2 H 1 3.131 0.007 . 2 . . . . 103 C HB2 . 16508 1 1010 . 1 1 103 103 CYS HB3 H 1 2.586 0.011 . 2 . . . . 103 C HB3 . 16508 1 1011 . 1 1 103 103 CYS HG H 1 2.404 0.007 . 1 . . . . 103 C HG . 16508 1 1012 . 1 1 103 103 CYS C C 13 175.906 0.021 . 1 . . . . 103 C C . 16508 1 1013 . 1 1 103 103 CYS CA C 13 65.025 0.063 . 1 . . . . 103 C CA . 16508 1 1014 . 1 1 103 103 CYS CB C 13 26.786 0.087 . 1 . . . . 103 C CB . 16508 1 1015 . 1 1 103 103 CYS N N 15 116.586 0.026 . 1 . . . . 103 C N . 16508 1 1016 . 1 1 104 104 ALA H H 1 8.318 0.005 . 1 . . . . 104 A H . 16508 1 1017 . 1 1 104 104 ALA HA H 1 3.915 0.007 . 1 . . . . 104 A HA . 16508 1 1018 . 1 1 104 104 ALA HB1 H 1 1.441 0.008 . 1 . . . . 104 A QB . 16508 1 1019 . 1 1 104 104 ALA HB2 H 1 1.441 0.008 . 1 . . . . 104 A QB . 16508 1 1020 . 1 1 104 104 ALA HB3 H 1 1.441 0.008 . 1 . . . . 104 A QB . 16508 1 1021 . 1 1 104 104 ALA C C 13 178.440 0.011 . 1 . . . . 104 A C . 16508 1 1022 . 1 1 104 104 ALA CA C 13 55.749 0.058 . 1 . . . . 104 A CA . 16508 1 1023 . 1 1 104 104 ALA CB C 13 17.664 0.120 . 1 . . . . 104 A CB . 16508 1 1024 . 1 1 104 104 ALA N N 15 120.446 0.097 . 1 . . . . 104 A N . 16508 1 1025 . 1 1 105 105 ILE H H 1 8.180 0.005 . 1 . . . . 105 I H . 16508 1 1026 . 1 1 105 105 ILE HA H 1 3.572 0.003 . 1 . . . . 105 I HA . 16508 1 1027 . 1 1 105 105 ILE HB H 1 2.059 0.002 . 1 . . . . 105 I HB . 16508 1 1028 . 1 1 105 105 ILE HD11 H 1 0.782 0.006 . 1 . . . . 105 I QD1 . 16508 1 1029 . 1 1 105 105 ILE HD12 H 1 0.782 0.006 . 1 . . . . 105 I QD1 . 16508 1 1030 . 1 1 105 105 ILE HD13 H 1 0.782 0.006 . 1 . . . . 105 I QD1 . 16508 1 1031 . 1 1 105 105 ILE HG12 H 1 1.670 0.004 . 1 . . . . 105 I QG1 . 16508 1 1032 . 1 1 105 105 ILE HG13 H 1 1.670 0.004 . 1 . . . . 105 I QG1 . 16508 1 1033 . 1 1 105 105 ILE HG21 H 1 0.873 0.011 . 1 . . . . 105 I QG2 . 16508 1 1034 . 1 1 105 105 ILE HG22 H 1 0.873 0.011 . 1 . . . . 105 I QG2 . 16508 1 1035 . 1 1 105 105 ILE HG23 H 1 0.873 0.011 . 1 . . . . 105 I QG2 . 16508 1 1036 . 1 1 105 105 ILE C C 13 177.355 0.018 . 1 . . . . 105 I C . 16508 1 1037 . 1 1 105 105 ILE CA C 13 65.658 0.120 . 1 . . . . 105 I CA . 16508 1 1038 . 1 1 105 105 ILE CB C 13 37.627 0.041 . 1 . . . . 105 I CB . 16508 1 1039 . 1 1 105 105 ILE N N 15 116.469 0.052 . 1 . . . . 105 I N . 16508 1 1040 . 1 1 106 106 ILE H H 1 8.147 0.005 . 1 . . . . 106 I H . 16508 1 1041 . 1 1 106 106 ILE HA H 1 3.556 0.002 . 1 . . . . 106 I HA . 16508 1 1042 . 1 1 106 106 ILE HB H 1 2.042 0.000 . 1 . . . . 106 I HB . 16508 1 1043 . 1 1 106 106 ILE HD11 H 1 0.858 0.000 . 1 . . . . 106 I QD1 . 16508 1 1044 . 1 1 106 106 ILE HD12 H 1 0.858 0.000 . 1 . . . . 106 I QD1 . 16508 1 1045 . 1 1 106 106 ILE HD13 H 1 0.858 0.000 . 1 . . . . 106 I QD1 . 16508 1 1046 . 1 1 106 106 ILE HG12 H 1 1.283 0.008 . 1 . . . . 106 I QG1 . 16508 1 1047 . 1 1 106 106 ILE HG13 H 1 1.283 0.008 . 1 . . . . 106 I QG1 . 16508 1 1048 . 1 1 106 106 ILE HG21 H 1 1.007 0.002 . 1 . . . . 106 I QG2 . 16508 1 1049 . 1 1 106 106 ILE HG22 H 1 1.007 0.002 . 1 . . . . 106 I QG2 . 16508 1 1050 . 1 1 106 106 ILE HG23 H 1 1.007 0.002 . 1 . . . . 106 I QG2 . 16508 1 1051 . 1 1 106 106 ILE C C 13 177.214 0.057 . 1 . . . . 106 I C . 16508 1 1052 . 1 1 106 106 ILE CA C 13 65.936 0.048 . 1 . . . . 106 I CA . 16508 1 1053 . 1 1 106 106 ILE CB C 13 37.235 0.074 . 1 . . . . 106 I CB . 16508 1 1054 . 1 1 106 106 ILE N N 15 118.728 0.066 . 1 . . . . 106 I N . 16508 1 1055 . 1 1 107 107 LEU H H 1 8.292 0.004 . 1 . . . . 107 L H . 16508 1 1056 . 1 1 107 107 LEU HA H 1 3.990 0.009 . 1 . . . . 107 L HA . 16508 1 1057 . 1 1 107 107 LEU HB2 H 1 1.889 0.014 . 2 . . . . 107 L QB . 16508 1 1058 . 1 1 107 107 LEU HB3 H 1 1.889 0.014 . 2 . . . . 107 L QB . 16508 1 1059 . 1 1 107 107 LEU HD11 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1 1060 . 1 1 107 107 LEU HD12 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1 1061 . 1 1 107 107 LEU HD13 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1 1062 . 1 1 107 107 LEU HD21 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1 1063 . 1 1 107 107 LEU HD22 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1 1064 . 1 1 107 107 LEU HD23 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1 1065 . 1 1 107 107 LEU HG H 1 1.615 0.003 . 1 . . . . 107 L HG . 16508 1 1066 . 1 1 107 107 LEU C C 13 178.400 0.014 . 1 . . . . 107 L C . 16508 1 1067 . 1 1 107 107 LEU CA C 13 58.684 0.087 . 1 . . . . 107 L CA . 16508 1 1068 . 1 1 107 107 LEU CB C 13 41.687 0.049 . 1 . . . . 107 L CB . 16508 1 1069 . 1 1 107 107 LEU N N 15 118.368 0.051 . 1 . . . . 107 L N . 16508 1 1070 . 1 1 108 108 ILE H H 1 8.310 0.004 . 1 . . . . 108 I H . 16508 1 1071 . 1 1 108 108 ILE HA H 1 3.592 0.011 . 1 . . . . 108 I HA . 16508 1 1072 . 1 1 108 108 ILE HB H 1 2.094 0.006 . 1 . . . . 108 I HB . 16508 1 1073 . 1 1 108 108 ILE HD11 H 1 0.866 0.000 . 1 . . . . 108 I QD1 . 16508 1 1074 . 1 1 108 108 ILE HD12 H 1 0.866 0.000 . 1 . . . . 108 I QD1 . 16508 1 1075 . 1 1 108 108 ILE HD13 H 1 0.866 0.000 . 1 . . . . 108 I QD1 . 16508 1 1076 . 1 1 108 108 ILE HG12 H 1 1.445 0.003 . 1 . . . . 108 I QG1 . 16508 1 1077 . 1 1 108 108 ILE HG13 H 1 1.445 0.003 . 1 . . . . 108 I QG1 . 16508 1 1078 . 1 1 108 108 ILE HG21 H 1 1.013 0.000 . 1 . . . . 108 I QG2 . 16508 1 1079 . 1 1 108 108 ILE HG22 H 1 1.013 0.000 . 1 . . . . 108 I QG2 . 16508 1 1080 . 1 1 108 108 ILE HG23 H 1 1.013 0.000 . 1 . . . . 108 I QG2 . 16508 1 1081 . 1 1 108 108 ILE C C 13 177.311 0.016 . 1 . . . . 108 I C . 16508 1 1082 . 1 1 108 108 ILE CA C 13 66.004 0.053 . 1 . . . . 108 I CA . 16508 1 1083 . 1 1 108 108 ILE CB C 13 37.758 0.016 . 1 . . . . 108 I CB . 16508 1 1084 . 1 1 108 108 ILE N N 15 118.031 0.041 . 1 . . . . 108 I N . 16508 1 1085 . 1 1 109 109 ILE H H 1 8.305 0.004 . 1 . . . . 109 I H . 16508 1 1086 . 1 1 109 109 ILE HA H 1 3.581 0.010 . 1 . . . . 109 I HA . 16508 1 1087 . 1 1 109 109 ILE HB H 1 2.134 0.000 . 1 . . . . 109 I HB . 16508 1 1088 . 1 1 109 109 ILE HD11 H 1 0.876 0.000 . 1 . . . . 109 I QD1 . 16508 1 1089 . 1 1 109 109 ILE HD12 H 1 0.876 0.000 . 1 . . . . 109 I QD1 . 16508 1 1090 . 1 1 109 109 ILE HD13 H 1 0.876 0.000 . 1 . . . . 109 I QD1 . 16508 1 1091 . 1 1 109 109 ILE HG12 H 1 1.294 0.003 . 1 . . . . 109 I QG1 . 16508 1 1092 . 1 1 109 109 ILE HG13 H 1 1.294 0.003 . 1 . . . . 109 I QG1 . 16508 1 1093 . 1 1 109 109 ILE HG21 H 1 1.038 0.002 . 1 . . . . 109 I QG2 . 16508 1 1094 . 1 1 109 109 ILE HG22 H 1 1.038 0.002 . 1 . . . . 109 I QG2 . 16508 1 1095 . 1 1 109 109 ILE HG23 H 1 1.038 0.002 . 1 . . . . 109 I QG2 . 16508 1 1096 . 1 1 109 109 ILE C C 13 177.643 0.008 . 1 . . . . 109 I C . 16508 1 1097 . 1 1 109 109 ILE CA C 13 66.293 0.011 . 1 . . . . 109 I CA . 16508 1 1098 . 1 1 109 109 ILE CB C 13 37.510 0.058 . 1 . . . . 109 I CB . 16508 1 1099 . 1 1 109 109 ILE CG2 C 13 17.959 0.000 . 1 . . . . 109 I CG2 . 16508 1 1100 . 1 1 109 109 ILE N N 15 119.316 0.052 . 1 . . . . 109 I N . 16508 1 1101 . 1 1 110 110 ILE H H 1 8.361 0.004 . 1 . . . . 110 I H . 16508 1 1102 . 1 1 110 110 ILE HA H 1 3.744 0.014 . 1 . . . . 110 I HA . 16508 1 1103 . 1 1 110 110 ILE HB H 1 2.203 0.009 . 1 . . . . 110 I HB . 16508 1 1104 . 1 1 110 110 ILE HD11 H 1 0.855 0.005 . 1 . . . . 110 I QD1 . 16508 1 1105 . 1 1 110 110 ILE HD12 H 1 0.855 0.005 . 1 . . . . 110 I QD1 . 16508 1 1106 . 1 1 110 110 ILE HD13 H 1 0.855 0.005 . 1 . . . . 110 I QD1 . 16508 1 1107 . 1 1 110 110 ILE HG21 H 1 1.044 0.006 . 1 . . . . 110 I QG2 . 16508 1 1108 . 1 1 110 110 ILE HG22 H 1 1.044 0.006 . 1 . . . . 110 I QG2 . 16508 1 1109 . 1 1 110 110 ILE HG23 H 1 1.044 0.006 . 1 . . . . 110 I QG2 . 16508 1 1110 . 1 1 110 110 ILE C C 13 177.760 0.020 . 1 . . . . 110 I C . 16508 1 1111 . 1 1 110 110 ILE CA C 13 66.203 0.068 . 1 . . . . 110 I CA . 16508 1 1112 . 1 1 110 110 ILE CB C 13 37.819 0.052 . 1 . . . . 110 I CB . 16508 1 1113 . 1 1 110 110 ILE N N 15 119.170 0.033 . 1 . . . . 110 I N . 16508 1 1114 . 1 1 111 111 ILE H H 1 8.540 0.005 . 1 . . . . 111 I H . 16508 1 1115 . 1 1 111 111 ILE HA H 1 3.735 0.006 . 1 . . . . 111 I HA . 16508 1 1116 . 1 1 111 111 ILE HB H 1 1.973 0.015 . 1 . . . . 111 I HB . 16508 1 1117 . 1 1 111 111 ILE HD11 H 1 0.855 0.007 . 1 . . . . 111 I QD1 . 16508 1 1118 . 1 1 111 111 ILE HD12 H 1 0.855 0.007 . 1 . . . . 111 I QD1 . 16508 1 1119 . 1 1 111 111 ILE HD13 H 1 0.855 0.007 . 1 . . . . 111 I QD1 . 16508 1 1120 . 1 1 111 111 ILE HG12 H 1 1.290 0.007 . 1 . . . . 111 I QG1 . 16508 1 1121 . 1 1 111 111 ILE HG13 H 1 1.290 0.007 . 1 . . . . 111 I QG1 . 16508 1 1122 . 1 1 111 111 ILE HG21 H 1 1.077 0.002 . 1 . . . . 111 I QG2 . 16508 1 1123 . 1 1 111 111 ILE HG22 H 1 1.077 0.002 . 1 . . . . 111 I QG2 . 16508 1 1124 . 1 1 111 111 ILE HG23 H 1 1.077 0.002 . 1 . . . . 111 I QG2 . 16508 1 1125 . 1 1 111 111 ILE C C 13 179.030 0.011 . 1 . . . . 111 I C . 16508 1 1126 . 1 1 111 111 ILE CA C 13 66.031 0.040 . 1 . . . . 111 I CA . 16508 1 1127 . 1 1 111 111 ILE CB C 13 37.876 0.073 . 1 . . . . 111 I CB . 16508 1 1128 . 1 1 111 111 ILE N N 15 119.351 0.034 . 1 . . . . 111 I N . 16508 1 1129 . 1 1 112 112 VAL H H 1 8.818 0.004 . 1 . . . . 112 V H . 16508 1 1130 . 1 1 112 112 VAL HA H 1 3.565 0.004 . 1 . . . . 112 V HA . 16508 1 1131 . 1 1 112 112 VAL HB H 1 2.244 0.011 . 1 . . . . 112 V HB . 16508 1 1132 . 1 1 112 112 VAL HG11 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1 1133 . 1 1 112 112 VAL HG12 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1 1134 . 1 1 112 112 VAL HG13 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1 1135 . 1 1 112 112 VAL HG21 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1 1136 . 1 1 112 112 VAL HG22 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1 1137 . 1 1 112 112 VAL HG23 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1 1138 . 1 1 112 112 VAL C C 13 178.414 0.015 . 1 . . . . 112 V C . 16508 1 1139 . 1 1 112 112 VAL CA C 13 67.272 0.043 . 1 . . . . 112 V CA . 16508 1 1140 . 1 1 112 112 VAL CB C 13 31.736 0.200 . 1 . . . . 112 V CB . 16508 1 1141 . 1 1 112 112 VAL N N 15 120.212 0.034 . 1 . . . . 112 V N . 16508 1 1142 . 1 1 113 113 TYR H H 1 8.863 0.004 . 1 . . . . 113 Y H . 16508 1 1143 . 1 1 113 113 TYR HA H 1 4.004 0.007 . 1 . . . . 113 Y HA . 16508 1 1144 . 1 1 113 113 TYR HB2 H 1 2.968 0.008 . 2 . . . . 113 Y QB . 16508 1 1145 . 1 1 113 113 TYR HB3 H 1 2.968 0.008 . 2 . . . . 113 Y QB . 16508 1 1146 . 1 1 113 113 TYR HD1 H 1 6.486 0.004 . 3 . . . . 113 Y QD . 16508 1 1147 . 1 1 113 113 TYR HD2 H 1 6.486 0.004 . 3 . . . . 113 Y QD . 16508 1 1148 . 1 1 113 113 TYR C C 13 177.202 0.040 . 1 . . . . 113 Y C . 16508 1 1149 . 1 1 113 113 TYR CA C 13 62.356 0.016 . 1 . . . . 113 Y CA . 16508 1 1150 . 1 1 113 113 TYR CB C 13 38.867 0.046 . 1 . . . . 113 Y CB . 16508 1 1151 . 1 1 113 113 TYR N N 15 120.271 0.048 . 1 . . . . 113 Y N . 16508 1 1152 . 1 1 114 114 PHE H H 1 8.216 0.003 . 1 . . . . 114 F H . 16508 1 1153 . 1 1 114 114 PHE HA H 1 4.498 0.011 . 1 . . . . 114 F HA . 16508 1 1154 . 1 1 114 114 PHE HB2 H 1 3.423 0.005 . 2 . . . . 114 F HB2 . 16508 1 1155 . 1 1 114 114 PHE HB3 H 1 3.080 0.005 . 2 . . . . 114 F HB3 . 16508 1 1156 . 1 1 114 114 PHE HD1 H 1 7.596 0.013 . 3 . . . . 114 F QD . 16508 1 1157 . 1 1 114 114 PHE HD2 H 1 7.596 0.013 . 3 . . . . 114 F QD . 16508 1 1158 . 1 1 114 114 PHE C C 13 176.207 0.023 . 1 . . . . 114 F C . 16508 1 1159 . 1 1 114 114 PHE CA C 13 60.256 0.040 . 1 . . . . 114 F CA . 16508 1 1160 . 1 1 114 114 PHE CB C 13 39.523 0.060 . 1 . . . . 114 F CB . 16508 1 1161 . 1 1 114 114 PHE N N 15 113.342 0.022 . 1 . . . . 114 F N . 16508 1 1162 . 1 1 115 115 SER H H 1 7.831 0.002 . 1 . . . . 115 S H . 16508 1 1163 . 1 1 115 115 SER HA H 1 4.607 0.010 . 1 . . . . 115 S HA . 16508 1 1164 . 1 1 115 115 SER HB2 H 1 4.021 0.006 . 2 . . . . 115 S QB . 16508 1 1165 . 1 1 115 115 SER HB3 H 1 4.021 0.006 . 2 . . . . 115 S QB . 16508 1 1166 . 1 1 115 115 SER C C 13 173.342 0.005 . 1 . . . . 115 S C . 16508 1 1167 . 1 1 115 115 SER CA C 13 59.847 0.035 . 1 . . . . 115 S CA . 16508 1 1168 . 1 1 115 115 SER CB C 13 64.526 0.067 . 1 . . . . 115 S CB . 16508 1 1169 . 1 1 115 115 SER N N 15 114.167 0.032 . 1 . . . . 115 S N . 16508 1 1170 . 1 1 116 116 THR H H 1 7.259 0.003 . 1 . . . . 116 T H . 16508 1 1171 . 1 1 116 116 THR HA H 1 4.172 0.006 . 1 . . . . 116 T HA . 16508 1 1172 . 1 1 116 116 THR HB H 1 4.244 0.004 . 1 . . . . 116 T HB . 16508 1 1173 . 1 1 116 116 THR HG21 H 1 1.214 0.005 . 1 . . . . 116 T QG2 . 16508 1 1174 . 1 1 116 116 THR HG22 H 1 1.214 0.005 . 1 . . . . 116 T QG2 . 16508 1 1175 . 1 1 116 116 THR HG23 H 1 1.214 0.005 . 1 . . . . 116 T QG2 . 16508 1 1176 . 1 1 116 116 THR C C 13 178.540 0.000 . 1 . . . . 116 T C . 16508 1 1177 . 1 1 116 116 THR CA C 13 63.280 0.066 . 1 . . . . 116 T CA . 16508 1 1178 . 1 1 116 116 THR CB C 13 71.047 0.121 . 1 . . . . 116 T CB . 16508 1 1179 . 1 1 116 116 THR N N 15 118.137 0.025 . 1 . . . . 116 T N . 16508 1 stop_ save_