data_6229 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6229 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift assignments for the Nucleotide-binding domain of Thermus Thermophilus DnaK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-10 _Entry.Accession_date 2004-06-11 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Matthew Revington . J. . 6229 2 Erik Zuiderweg . R.P. . 6229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 330 6229 '13C chemical shifts' 1009 6229 '15N chemical shifts' 330 6229 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-14 2004-06-10 original author . 6229 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6229 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15452445 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: TROSY-driven NMR backbone assignments of the 381-residue nucleotide-binding domain of the Thermus Thermophilus DnaK molecular chaperone. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 113 _Citation.Page_last 114 _Citation.Year 2004 _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 Matthew Revington . J. . 6229 1 2 Erik Zuiderweg . R.P. . 6229 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DnaK 6229 1 TROSY 6229 1 chaperone 6229 1 Hsp70 6229 1 atpase 6229 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6229 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15452445 _Citation.Full_citation ; Letter to the Editor: TROSY-driven NMR backbone assignments of the 381-residue nucleotide-binding domain of the Thermus Thermophilus DnaK molecular chaperone. Revington, M., and Zuiderweg, E.R.P. J. Biol. NMR in press ; _Citation.Title 'TROSY-driven NMR backbone assignments of the 381-residue nucleotide-binding domain of the Thermus Thermophilus DnaK molecular chaperone.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 30 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 113 _Citation.Page_last 114 _Citation.Year 2004 _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 Matthew Revington M. . . 6229 2 2 'Erik R. P.' Zuiderweg E. R. . 6229 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6229 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15175340 _Citation.Full_citation ; NMR study of nucleotide-induced changes in the nucleotide binding domain of Thermus Thermophilus Hsp70 chaperone DnaK: Implications for the allosteric mechanism. Revington M, Holder TM, Zuiderweg ER. J Biol Chem. 2004 Jun 2 [Epub ahead of print] ; _Citation.Title 'NMR study of nucleotide-induced changes in the nucleotide binding domain of Thermus thermophilus Hsp70 chaperone DnaK: implications for the allosteric mechanism.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 279 _Citation.Journal_issue 32 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 33958 _Citation.Page_last 33967 _Citation.Year 2004 _Citation.Details ; We present an NMR investigation of the nucleotide-dependent conformational properties of a 44-kDa nucleotide binding domain (NBD) of an Hsp70 protein. Conformational changes driven by ATP binding and hydrolysis in the N-terminal NBD are believed to allosterically regulate substrate affinity in the C-terminal substrate binding domain. Several crystal structures of Hsc70 NBDs in different nucleotide states have, however, not shown significant structural differences. We have previously reported the NMR assignments of the backbone resonances of the NBD of the bacterial Hsp70 homologue Thermus thermophilus DnaK in the ADP-bound state. In this study we show, by assigning the NBD with the ATP/transition state analogue, ADP.AlFx, bound, that it closely mimics the ATP-bound state. Chemical shift difference mapping of the two nucleotide states identified differences in a cluster of residues at the interface between subdomains 1A and 1B. Further analysis of the spectra revealed that the ATP state exhibited a single conformation, whereas the ADP state was in slow conformational exchange between a form similar to the ATP state and another state unique to the ADP-bound form. A model is proposed of the allosteric mechanism based on the nucleotide state altering the balance of a dynamic equilibrium between the open and closed states. The observed chemical shift perturbations were concentrated in an area close to a previously described J-domain binding channel, confirming the importance of that region in the allosteric mechanism. ; 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 Matthew Revington M. . . 6229 3 2 'Tina M.' Holder T. M. . 6229 3 3 'Erik R. P.' Zuiderweg E. R. . 6229 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_DnaK_NBD _Assembly.Sf_category assembly _Assembly.Sf_framecode DnaK_NBD _Assembly.Entry_ID 6229 _Assembly.ID 1 _Assembly.Name 'Thermus Thermophilus Dnak Nucleotide binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6229 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DnaK nucleotide binding domain, Dnak NBD' 1 $DnaK . . . native . . . . . 6229 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes NCBI Q56235 . . . . . ; This construct contains residues 1-381 of the deposited sequence with a 20 residue N-terminal leader sequence: MGSSHHHHHHSSGLVPRGSH ; 6229 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Thermus Thermophilus Dnak Nucleotide binding domain' system 6229 1 'DnaK NBD' abbreviation 6229 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein chaperone' 6229 1 ATPase 6229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaK _Entity.Sf_category entity _Entity.Sf_framecode DnaK _Entity.Entry_ID 6229 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaK NBD' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MAKAVGIDLGTTNSVIAVLE GGKPVVLENAEGERVTPSVV AFRDGETLVGRMAKRQAVLN PEGTIFEIKRFIGRRFEEVQ EEAKRVPYKVVPGPDGGVRV EVKGKLYTPEEISAMILRKL VEDASKKLGEKITKAVITVP AYFNNAQREATANAGRIAGL EVLRIINEPTAAALAYGLDK KGNETVLVFDLGGGTFDVTI LEIGEGVFEVKATSGDTHLG GSDMDHAIVNWLAEEFKKEH GVDLKADRQALQRLIEAAEK AKIELSSTLETTISLPFIAL DPASKTPLHLEKKLTRAKFE ELIQPLLKRLRGPVEQALKD AGLTPAQIDEVILVGGATRV PAVQQVVRELLGKEPNRSVN PDEVVAMGAAIQAGVLMGEV R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 401 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; ASP44 converted to Isoasp when sample pH was decreased from pH 7.4 to pH 6.0 ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA12280 . "DnaK homologue [Thermus thermophilus HB8]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 2 no DBJ BAA81741 . "DnaK [Thermus thermophilus HB8]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 3 no DBJ BAA96089 . "DnaK [Thermus thermophilus HB8]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 4 no DBJ BAD71314 . "chaperone protein DnaK (heat shock protein 70) [Thermus thermophilus HB8]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 5 no EMBL CAA69159 . "DnaK-homologue [Thermus thermophilus HB8]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 6 no GB AAB04676 . "dnaK [Thermus thermophilus HB8]" . . . . . 95.26 616 98.95 99.21 0.00e+00 . . . . 6229 1 7 no GB AAS81469 . "chaperone protein dnaK [Thermus thermophilus HB27]" . . . . . 95.01 615 99.74 100.00 0.00e+00 . . . . 6229 1 8 no GB AEG33909 . "Chaperone protein dnaK [Thermus thermophilus SG0.5JP17-16]" . . . . . 95.01 615 98.43 99.74 0.00e+00 . . . . 6229 1 9 no GB AFH38459 . "chaperone protein DnaK [Thermus thermophilus JL-18]" . . . . . 95.01 615 98.43 99.74 0.00e+00 . . . . 6229 1 10 no REF WP_011173541 . "chaperone protein DnaK [Thermus thermophilus]" . . . . . 95.01 615 99.74 100.00 0.00e+00 . . . . 6229 1 11 no REF WP_011228715 . "chaperone protein DnaK [Thermus thermophilus]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 12 no REF WP_014510666 . "chaperone protein DnaK [Thermus thermophilus]" . . . . . 95.01 615 98.43 99.74 0.00e+00 . . . . 6229 1 13 no REF WP_014629205 . "chaperone protein DnaK [Thermus thermophilus]" . . . . . 95.01 615 98.43 99.74 0.00e+00 . . . . 6229 1 14 no REF WP_024119965 . "chaperone protein DnaK [Thermus thermophilus]" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 15 no SP Q56235 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 95.01 615 100.00 100.00 0.00e+00 . . . . 6229 1 16 no SP Q72IK5 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 95.01 615 99.74 100.00 0.00e+00 . . . . 6229 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DnaK NBD' common 6229 1 DnaK abbreviation 6229 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 -20 MET . 6229 1 2 -19 GLY . 6229 1 3 -18 SER . 6229 1 4 -17 SER . 6229 1 5 -16 HIS . 6229 1 6 -15 HIS . 6229 1 7 -14 HIS . 6229 1 8 -13 HIS . 6229 1 9 -12 HIS . 6229 1 10 -11 HIS . 6229 1 11 -10 SER . 6229 1 12 -9 SER . 6229 1 13 -8 GLY . 6229 1 14 -7 LEU . 6229 1 15 -6 VAL . 6229 1 16 -5 PRO . 6229 1 17 -4 ARG . 6229 1 18 -3 GLY . 6229 1 19 -2 SER . 6229 1 20 -1 HIS . 6229 1 21 1 MET . 6229 1 22 2 ALA . 6229 1 23 3 LYS . 6229 1 24 4 ALA . 6229 1 25 5 VAL . 6229 1 26 6 GLY . 6229 1 27 7 ILE . 6229 1 28 8 ASP . 6229 1 29 9 LEU . 6229 1 30 10 GLY . 6229 1 31 11 THR . 6229 1 32 12 THR . 6229 1 33 13 ASN . 6229 1 34 14 SER . 6229 1 35 15 VAL . 6229 1 36 16 ILE . 6229 1 37 17 ALA . 6229 1 38 18 VAL . 6229 1 39 19 LEU . 6229 1 40 20 GLU . 6229 1 41 21 GLY . 6229 1 42 22 GLY . 6229 1 43 23 LYS . 6229 1 44 24 PRO . 6229 1 45 25 VAL . 6229 1 46 26 VAL . 6229 1 47 27 LEU . 6229 1 48 28 GLU . 6229 1 49 29 ASN . 6229 1 50 30 ALA . 6229 1 51 31 GLU . 6229 1 52 32 GLY . 6229 1 53 33 GLU . 6229 1 54 34 ARG . 6229 1 55 35 VAL . 6229 1 56 36 THR . 6229 1 57 37 PRO . 6229 1 58 38 SER . 6229 1 59 39 VAL . 6229 1 60 40 VAL . 6229 1 61 41 ALA . 6229 1 62 42 PHE . 6229 1 63 43 ARG . 6229 1 64 44 ASP . 6229 1 65 45 GLY . 6229 1 66 46 GLU . 6229 1 67 47 THR . 6229 1 68 48 LEU . 6229 1 69 49 VAL . 6229 1 70 50 GLY . 6229 1 71 51 ARG . 6229 1 72 52 MET . 6229 1 73 53 ALA . 6229 1 74 54 LYS . 6229 1 75 55 ARG . 6229 1 76 56 GLN . 6229 1 77 57 ALA . 6229 1 78 58 VAL . 6229 1 79 59 LEU . 6229 1 80 60 ASN . 6229 1 81 61 PRO . 6229 1 82 62 GLU . 6229 1 83 63 GLY . 6229 1 84 64 THR . 6229 1 85 65 ILE . 6229 1 86 66 PHE . 6229 1 87 67 GLU . 6229 1 88 68 ILE . 6229 1 89 69 LYS . 6229 1 90 70 ARG . 6229 1 91 71 PHE . 6229 1 92 72 ILE . 6229 1 93 73 GLY . 6229 1 94 74 ARG . 6229 1 95 75 ARG . 6229 1 96 76 PHE . 6229 1 97 77 GLU . 6229 1 98 78 GLU . 6229 1 99 79 VAL . 6229 1 100 80 GLN . 6229 1 101 81 GLU . 6229 1 102 82 GLU . 6229 1 103 83 ALA . 6229 1 104 84 LYS . 6229 1 105 85 ARG . 6229 1 106 86 VAL . 6229 1 107 87 PRO . 6229 1 108 88 TYR . 6229 1 109 89 LYS . 6229 1 110 90 VAL . 6229 1 111 91 VAL . 6229 1 112 92 PRO . 6229 1 113 93 GLY . 6229 1 114 94 PRO . 6229 1 115 95 ASP . 6229 1 116 96 GLY . 6229 1 117 97 GLY . 6229 1 118 98 VAL . 6229 1 119 99 ARG . 6229 1 120 100 VAL . 6229 1 121 101 GLU . 6229 1 122 102 VAL . 6229 1 123 103 LYS . 6229 1 124 104 GLY . 6229 1 125 105 LYS . 6229 1 126 106 LEU . 6229 1 127 107 TYR . 6229 1 128 108 THR . 6229 1 129 109 PRO . 6229 1 130 110 GLU . 6229 1 131 111 GLU . 6229 1 132 112 ILE . 6229 1 133 113 SER . 6229 1 134 114 ALA . 6229 1 135 115 MET . 6229 1 136 116 ILE . 6229 1 137 117 LEU . 6229 1 138 118 ARG . 6229 1 139 119 LYS . 6229 1 140 120 LEU . 6229 1 141 121 VAL . 6229 1 142 122 GLU . 6229 1 143 123 ASP . 6229 1 144 124 ALA . 6229 1 145 125 SER . 6229 1 146 126 LYS . 6229 1 147 127 LYS . 6229 1 148 128 LEU . 6229 1 149 129 GLY . 6229 1 150 130 GLU . 6229 1 151 131 LYS . 6229 1 152 132 ILE . 6229 1 153 133 THR . 6229 1 154 134 LYS . 6229 1 155 135 ALA . 6229 1 156 136 VAL . 6229 1 157 137 ILE . 6229 1 158 138 THR . 6229 1 159 139 VAL . 6229 1 160 140 PRO . 6229 1 161 141 ALA . 6229 1 162 142 TYR . 6229 1 163 143 PHE . 6229 1 164 144 ASN . 6229 1 165 145 ASN . 6229 1 166 146 ALA . 6229 1 167 147 GLN . 6229 1 168 148 ARG . 6229 1 169 149 GLU . 6229 1 170 150 ALA . 6229 1 171 151 THR . 6229 1 172 152 ALA . 6229 1 173 153 ASN . 6229 1 174 154 ALA . 6229 1 175 155 GLY . 6229 1 176 156 ARG . 6229 1 177 157 ILE . 6229 1 178 158 ALA . 6229 1 179 159 GLY . 6229 1 180 160 LEU . 6229 1 181 161 GLU . 6229 1 182 162 VAL . 6229 1 183 163 LEU . 6229 1 184 164 ARG . 6229 1 185 165 ILE . 6229 1 186 166 ILE . 6229 1 187 167 ASN . 6229 1 188 168 GLU . 6229 1 189 169 PRO . 6229 1 190 170 THR . 6229 1 191 171 ALA . 6229 1 192 172 ALA . 6229 1 193 173 ALA . 6229 1 194 174 LEU . 6229 1 195 175 ALA . 6229 1 196 176 TYR . 6229 1 197 177 GLY . 6229 1 198 178 LEU . 6229 1 199 179 ASP . 6229 1 200 180 LYS . 6229 1 201 181 LYS . 6229 1 202 182 GLY . 6229 1 203 183 ASN . 6229 1 204 184 GLU . 6229 1 205 185 THR . 6229 1 206 186 VAL . 6229 1 207 187 LEU . 6229 1 208 188 VAL . 6229 1 209 189 PHE . 6229 1 210 190 ASP . 6229 1 211 191 LEU . 6229 1 212 192 GLY . 6229 1 213 193 GLY . 6229 1 214 194 GLY . 6229 1 215 195 THR . 6229 1 216 196 PHE . 6229 1 217 197 ASP . 6229 1 218 198 VAL . 6229 1 219 199 THR . 6229 1 220 200 ILE . 6229 1 221 201 LEU . 6229 1 222 202 GLU . 6229 1 223 203 ILE . 6229 1 224 204 GLY . 6229 1 225 205 GLU . 6229 1 226 206 GLY . 6229 1 227 207 VAL . 6229 1 228 208 PHE . 6229 1 229 209 GLU . 6229 1 230 210 VAL . 6229 1 231 211 LYS . 6229 1 232 212 ALA . 6229 1 233 213 THR . 6229 1 234 214 SER . 6229 1 235 215 GLY . 6229 1 236 216 ASP . 6229 1 237 217 THR . 6229 1 238 218 HIS . 6229 1 239 219 LEU . 6229 1 240 220 GLY . 6229 1 241 221 GLY . 6229 1 242 222 SER . 6229 1 243 223 ASP . 6229 1 244 224 MET . 6229 1 245 225 ASP . 6229 1 246 226 HIS . 6229 1 247 227 ALA . 6229 1 248 228 ILE . 6229 1 249 229 VAL . 6229 1 250 230 ASN . 6229 1 251 231 TRP . 6229 1 252 232 LEU . 6229 1 253 233 ALA . 6229 1 254 234 GLU . 6229 1 255 235 GLU . 6229 1 256 236 PHE . 6229 1 257 237 LYS . 6229 1 258 238 LYS . 6229 1 259 239 GLU . 6229 1 260 240 HIS . 6229 1 261 241 GLY . 6229 1 262 242 VAL . 6229 1 263 243 ASP . 6229 1 264 244 LEU . 6229 1 265 245 LYS . 6229 1 266 246 ALA . 6229 1 267 247 ASP . 6229 1 268 248 ARG . 6229 1 269 249 GLN . 6229 1 270 250 ALA . 6229 1 271 251 LEU . 6229 1 272 252 GLN . 6229 1 273 253 ARG . 6229 1 274 254 LEU . 6229 1 275 255 ILE . 6229 1 276 256 GLU . 6229 1 277 257 ALA . 6229 1 278 258 ALA . 6229 1 279 259 GLU . 6229 1 280 260 LYS . 6229 1 281 261 ALA . 6229 1 282 262 LYS . 6229 1 283 263 ILE . 6229 1 284 264 GLU . 6229 1 285 265 LEU . 6229 1 286 266 SER . 6229 1 287 267 SER . 6229 1 288 268 THR . 6229 1 289 269 LEU . 6229 1 290 270 GLU . 6229 1 291 271 THR . 6229 1 292 272 THR . 6229 1 293 273 ILE . 6229 1 294 274 SER . 6229 1 295 275 LEU . 6229 1 296 276 PRO . 6229 1 297 277 PHE . 6229 1 298 278 ILE . 6229 1 299 279 ALA . 6229 1 300 280 LEU . 6229 1 301 281 ASP . 6229 1 302 282 PRO . 6229 1 303 283 ALA . 6229 1 304 284 SER . 6229 1 305 285 LYS . 6229 1 306 286 THR . 6229 1 307 287 PRO . 6229 1 308 288 LEU . 6229 1 309 289 HIS . 6229 1 310 290 LEU . 6229 1 311 291 GLU . 6229 1 312 292 LYS . 6229 1 313 293 LYS . 6229 1 314 294 LEU . 6229 1 315 295 THR . 6229 1 316 296 ARG . 6229 1 317 297 ALA . 6229 1 318 298 LYS . 6229 1 319 299 PHE . 6229 1 320 300 GLU . 6229 1 321 301 GLU . 6229 1 322 302 LEU . 6229 1 323 303 ILE . 6229 1 324 304 GLN . 6229 1 325 305 PRO . 6229 1 326 306 LEU . 6229 1 327 307 LEU . 6229 1 328 308 LYS . 6229 1 329 309 ARG . 6229 1 330 310 LEU . 6229 1 331 311 ARG . 6229 1 332 312 GLY . 6229 1 333 313 PRO . 6229 1 334 314 VAL . 6229 1 335 315 GLU . 6229 1 336 316 GLN . 6229 1 337 317 ALA . 6229 1 338 318 LEU . 6229 1 339 319 LYS . 6229 1 340 320 ASP . 6229 1 341 321 ALA . 6229 1 342 322 GLY . 6229 1 343 323 LEU . 6229 1 344 324 THR . 6229 1 345 325 PRO . 6229 1 346 326 ALA . 6229 1 347 327 GLN . 6229 1 348 328 ILE . 6229 1 349 329 ASP . 6229 1 350 330 GLU . 6229 1 351 331 VAL . 6229 1 352 332 ILE . 6229 1 353 333 LEU . 6229 1 354 334 VAL . 6229 1 355 335 GLY . 6229 1 356 336 GLY . 6229 1 357 337 ALA . 6229 1 358 338 THR . 6229 1 359 339 ARG . 6229 1 360 340 VAL . 6229 1 361 341 PRO . 6229 1 362 342 ALA . 6229 1 363 343 VAL . 6229 1 364 344 GLN . 6229 1 365 345 GLN . 6229 1 366 346 VAL . 6229 1 367 347 VAL . 6229 1 368 348 ARG . 6229 1 369 349 GLU . 6229 1 370 350 LEU . 6229 1 371 351 LEU . 6229 1 372 352 GLY . 6229 1 373 353 LYS . 6229 1 374 354 GLU . 6229 1 375 355 PRO . 6229 1 376 356 ASN . 6229 1 377 357 ARG . 6229 1 378 358 SER . 6229 1 379 359 VAL . 6229 1 380 360 ASN . 6229 1 381 361 PRO . 6229 1 382 362 ASP . 6229 1 383 363 GLU . 6229 1 384 364 VAL . 6229 1 385 365 VAL . 6229 1 386 366 ALA . 6229 1 387 367 MET . 6229 1 388 368 GLY . 6229 1 389 369 ALA . 6229 1 390 370 ALA . 6229 1 391 371 ILE . 6229 1 392 372 GLN . 6229 1 393 373 ALA . 6229 1 394 374 GLY . 6229 1 395 375 VAL . 6229 1 396 376 LEU . 6229 1 397 377 MET . 6229 1 398 378 GLY . 6229 1 399 379 GLU . 6229 1 400 380 VAL . 6229 1 401 381 ARG . 6229 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 6229 1 . GLY 2 2 6229 1 . SER 3 3 6229 1 . SER 4 4 6229 1 . HIS 5 5 6229 1 . HIS 6 6 6229 1 . HIS 7 7 6229 1 . HIS 8 8 6229 1 . HIS 9 9 6229 1 . HIS 10 10 6229 1 . SER 11 11 6229 1 . SER 12 12 6229 1 . GLY 13 13 6229 1 . LEU 14 14 6229 1 . VAL 15 15 6229 1 . PRO 16 16 6229 1 . ARG 17 17 6229 1 . GLY 18 18 6229 1 . SER 19 19 6229 1 . HIS 20 20 6229 1 . MET 21 21 6229 1 . ALA 22 22 6229 1 . LYS 23 23 6229 1 . ALA 24 24 6229 1 . VAL 25 25 6229 1 . GLY 26 26 6229 1 . ILE 27 27 6229 1 . ASP 28 28 6229 1 . LEU 29 29 6229 1 . GLY 30 30 6229 1 . THR 31 31 6229 1 . THR 32 32 6229 1 . ASN 33 33 6229 1 . SER 34 34 6229 1 . VAL 35 35 6229 1 . ILE 36 36 6229 1 . ALA 37 37 6229 1 . VAL 38 38 6229 1 . LEU 39 39 6229 1 . GLU 40 40 6229 1 . GLY 41 41 6229 1 . GLY 42 42 6229 1 . LYS 43 43 6229 1 . PRO 44 44 6229 1 . VAL 45 45 6229 1 . VAL 46 46 6229 1 . LEU 47 47 6229 1 . GLU 48 48 6229 1 . ASN 49 49 6229 1 . ALA 50 50 6229 1 . GLU 51 51 6229 1 . GLY 52 52 6229 1 . GLU 53 53 6229 1 . ARG 54 54 6229 1 . VAL 55 55 6229 1 . THR 56 56 6229 1 . PRO 57 57 6229 1 . SER 58 58 6229 1 . VAL 59 59 6229 1 . VAL 60 60 6229 1 . ALA 61 61 6229 1 . PHE 62 62 6229 1 . ARG 63 63 6229 1 . ASP 64 64 6229 1 . GLY 65 65 6229 1 . GLU 66 66 6229 1 . THR 67 67 6229 1 . LEU 68 68 6229 1 . VAL 69 69 6229 1 . GLY 70 70 6229 1 . ARG 71 71 6229 1 . MET 72 72 6229 1 . ALA 73 73 6229 1 . LYS 74 74 6229 1 . ARG 75 75 6229 1 . GLN 76 76 6229 1 . ALA 77 77 6229 1 . VAL 78 78 6229 1 . LEU 79 79 6229 1 . ASN 80 80 6229 1 . PRO 81 81 6229 1 . GLU 82 82 6229 1 . GLY 83 83 6229 1 . THR 84 84 6229 1 . ILE 85 85 6229 1 . PHE 86 86 6229 1 . GLU 87 87 6229 1 . ILE 88 88 6229 1 . LYS 89 89 6229 1 . ARG 90 90 6229 1 . PHE 91 91 6229 1 . ILE 92 92 6229 1 . GLY 93 93 6229 1 . ARG 94 94 6229 1 . ARG 95 95 6229 1 . PHE 96 96 6229 1 . GLU 97 97 6229 1 . GLU 98 98 6229 1 . VAL 99 99 6229 1 . GLN 100 100 6229 1 . GLU 101 101 6229 1 . GLU 102 102 6229 1 . ALA 103 103 6229 1 . LYS 104 104 6229 1 . ARG 105 105 6229 1 . VAL 106 106 6229 1 . PRO 107 107 6229 1 . TYR 108 108 6229 1 . LYS 109 109 6229 1 . VAL 110 110 6229 1 . VAL 111 111 6229 1 . PRO 112 112 6229 1 . GLY 113 113 6229 1 . PRO 114 114 6229 1 . ASP 115 115 6229 1 . GLY 116 116 6229 1 . GLY 117 117 6229 1 . VAL 118 118 6229 1 . ARG 119 119 6229 1 . VAL 120 120 6229 1 . GLU 121 121 6229 1 . VAL 122 122 6229 1 . LYS 123 123 6229 1 . GLY 124 124 6229 1 . LYS 125 125 6229 1 . LEU 126 126 6229 1 . TYR 127 127 6229 1 . THR 128 128 6229 1 . PRO 129 129 6229 1 . GLU 130 130 6229 1 . GLU 131 131 6229 1 . ILE 132 132 6229 1 . SER 133 133 6229 1 . ALA 134 134 6229 1 . MET 135 135 6229 1 . ILE 136 136 6229 1 . LEU 137 137 6229 1 . ARG 138 138 6229 1 . LYS 139 139 6229 1 . LEU 140 140 6229 1 . VAL 141 141 6229 1 . GLU 142 142 6229 1 . ASP 143 143 6229 1 . ALA 144 144 6229 1 . SER 145 145 6229 1 . LYS 146 146 6229 1 . LYS 147 147 6229 1 . LEU 148 148 6229 1 . GLY 149 149 6229 1 . GLU 150 150 6229 1 . LYS 151 151 6229 1 . ILE 152 152 6229 1 . THR 153 153 6229 1 . LYS 154 154 6229 1 . ALA 155 155 6229 1 . VAL 156 156 6229 1 . ILE 157 157 6229 1 . THR 158 158 6229 1 . VAL 159 159 6229 1 . PRO 160 160 6229 1 . ALA 161 161 6229 1 . TYR 162 162 6229 1 . PHE 163 163 6229 1 . ASN 164 164 6229 1 . ASN 165 165 6229 1 . ALA 166 166 6229 1 . GLN 167 167 6229 1 . ARG 168 168 6229 1 . GLU 169 169 6229 1 . ALA 170 170 6229 1 . THR 171 171 6229 1 . ALA 172 172 6229 1 . ASN 173 173 6229 1 . ALA 174 174 6229 1 . GLY 175 175 6229 1 . ARG 176 176 6229 1 . ILE 177 177 6229 1 . ALA 178 178 6229 1 . GLY 179 179 6229 1 . LEU 180 180 6229 1 . GLU 181 181 6229 1 . VAL 182 182 6229 1 . LEU 183 183 6229 1 . ARG 184 184 6229 1 . ILE 185 185 6229 1 . ILE 186 186 6229 1 . ASN 187 187 6229 1 . GLU 188 188 6229 1 . PRO 189 189 6229 1 . THR 190 190 6229 1 . ALA 191 191 6229 1 . ALA 192 192 6229 1 . ALA 193 193 6229 1 . LEU 194 194 6229 1 . ALA 195 195 6229 1 . TYR 196 196 6229 1 . GLY 197 197 6229 1 . LEU 198 198 6229 1 . ASP 199 199 6229 1 . LYS 200 200 6229 1 . LYS 201 201 6229 1 . GLY 202 202 6229 1 . ASN 203 203 6229 1 . GLU 204 204 6229 1 . THR 205 205 6229 1 . VAL 206 206 6229 1 . LEU 207 207 6229 1 . VAL 208 208 6229 1 . PHE 209 209 6229 1 . ASP 210 210 6229 1 . LEU 211 211 6229 1 . GLY 212 212 6229 1 . GLY 213 213 6229 1 . GLY 214 214 6229 1 . THR 215 215 6229 1 . PHE 216 216 6229 1 . ASP 217 217 6229 1 . VAL 218 218 6229 1 . THR 219 219 6229 1 . ILE 220 220 6229 1 . LEU 221 221 6229 1 . GLU 222 222 6229 1 . ILE 223 223 6229 1 . GLY 224 224 6229 1 . GLU 225 225 6229 1 . GLY 226 226 6229 1 . VAL 227 227 6229 1 . PHE 228 228 6229 1 . GLU 229 229 6229 1 . VAL 230 230 6229 1 . LYS 231 231 6229 1 . ALA 232 232 6229 1 . THR 233 233 6229 1 . SER 234 234 6229 1 . GLY 235 235 6229 1 . ASP 236 236 6229 1 . THR 237 237 6229 1 . HIS 238 238 6229 1 . LEU 239 239 6229 1 . GLY 240 240 6229 1 . GLY 241 241 6229 1 . SER 242 242 6229 1 . ASP 243 243 6229 1 . MET 244 244 6229 1 . ASP 245 245 6229 1 . HIS 246 246 6229 1 . ALA 247 247 6229 1 . ILE 248 248 6229 1 . VAL 249 249 6229 1 . ASN 250 250 6229 1 . TRP 251 251 6229 1 . LEU 252 252 6229 1 . ALA 253 253 6229 1 . GLU 254 254 6229 1 . GLU 255 255 6229 1 . PHE 256 256 6229 1 . LYS 257 257 6229 1 . LYS 258 258 6229 1 . GLU 259 259 6229 1 . HIS 260 260 6229 1 . GLY 261 261 6229 1 . VAL 262 262 6229 1 . ASP 263 263 6229 1 . LEU 264 264 6229 1 . LYS 265 265 6229 1 . ALA 266 266 6229 1 . ASP 267 267 6229 1 . ARG 268 268 6229 1 . GLN 269 269 6229 1 . ALA 270 270 6229 1 . LEU 271 271 6229 1 . GLN 272 272 6229 1 . ARG 273 273 6229 1 . LEU 274 274 6229 1 . ILE 275 275 6229 1 . GLU 276 276 6229 1 . ALA 277 277 6229 1 . ALA 278 278 6229 1 . GLU 279 279 6229 1 . LYS 280 280 6229 1 . ALA 281 281 6229 1 . LYS 282 282 6229 1 . ILE 283 283 6229 1 . GLU 284 284 6229 1 . LEU 285 285 6229 1 . SER 286 286 6229 1 . SER 287 287 6229 1 . THR 288 288 6229 1 . LEU 289 289 6229 1 . GLU 290 290 6229 1 . THR 291 291 6229 1 . THR 292 292 6229 1 . ILE 293 293 6229 1 . SER 294 294 6229 1 . LEU 295 295 6229 1 . PRO 296 296 6229 1 . PHE 297 297 6229 1 . ILE 298 298 6229 1 . ALA 299 299 6229 1 . LEU 300 300 6229 1 . ASP 301 301 6229 1 . PRO 302 302 6229 1 . ALA 303 303 6229 1 . SER 304 304 6229 1 . LYS 305 305 6229 1 . THR 306 306 6229 1 . PRO 307 307 6229 1 . LEU 308 308 6229 1 . HIS 309 309 6229 1 . LEU 310 310 6229 1 . GLU 311 311 6229 1 . LYS 312 312 6229 1 . LYS 313 313 6229 1 . LEU 314 314 6229 1 . THR 315 315 6229 1 . ARG 316 316 6229 1 . ALA 317 317 6229 1 . LYS 318 318 6229 1 . PHE 319 319 6229 1 . GLU 320 320 6229 1 . GLU 321 321 6229 1 . LEU 322 322 6229 1 . ILE 323 323 6229 1 . GLN 324 324 6229 1 . PRO 325 325 6229 1 . LEU 326 326 6229 1 . LEU 327 327 6229 1 . LYS 328 328 6229 1 . ARG 329 329 6229 1 . LEU 330 330 6229 1 . ARG 331 331 6229 1 . GLY 332 332 6229 1 . PRO 333 333 6229 1 . VAL 334 334 6229 1 . GLU 335 335 6229 1 . GLN 336 336 6229 1 . ALA 337 337 6229 1 . LEU 338 338 6229 1 . LYS 339 339 6229 1 . ASP 340 340 6229 1 . ALA 341 341 6229 1 . GLY 342 342 6229 1 . LEU 343 343 6229 1 . THR 344 344 6229 1 . PRO 345 345 6229 1 . ALA 346 346 6229 1 . GLN 347 347 6229 1 . ILE 348 348 6229 1 . ASP 349 349 6229 1 . GLU 350 350 6229 1 . VAL 351 351 6229 1 . ILE 352 352 6229 1 . LEU 353 353 6229 1 . VAL 354 354 6229 1 . GLY 355 355 6229 1 . GLY 356 356 6229 1 . ALA 357 357 6229 1 . THR 358 358 6229 1 . ARG 359 359 6229 1 . VAL 360 360 6229 1 . PRO 361 361 6229 1 . ALA 362 362 6229 1 . VAL 363 363 6229 1 . GLN 364 364 6229 1 . GLN 365 365 6229 1 . VAL 366 366 6229 1 . VAL 367 367 6229 1 . ARG 368 368 6229 1 . GLU 369 369 6229 1 . LEU 370 370 6229 1 . LEU 371 371 6229 1 . GLY 372 372 6229 1 . LYS 373 373 6229 1 . GLU 374 374 6229 1 . PRO 375 375 6229 1 . ASN 376 376 6229 1 . ARG 377 377 6229 1 . SER 378 378 6229 1 . VAL 379 379 6229 1 . ASN 380 380 6229 1 . PRO 381 381 6229 1 . ASP 382 382 6229 1 . GLU 383 383 6229 1 . VAL 384 384 6229 1 . VAL 385 385 6229 1 . ALA 386 386 6229 1 . MET 387 387 6229 1 . GLY 388 388 6229 1 . ALA 389 389 6229 1 . ALA 390 390 6229 1 . ILE 391 391 6229 1 . GLN 392 392 6229 1 . ALA 393 393 6229 1 . GLY 394 394 6229 1 . VAL 395 395 6229 1 . LEU 396 396 6229 1 . MET 397 397 6229 1 . GLY 398 398 6229 1 . GLU 399 399 6229 1 . VAL 400 400 6229 1 . ARG 401 401 6229 1 stop_ save_ save_ADP _Entity.Sf_category entity _Entity.Sf_framecode ADP _Entity.Entry_ID 6229 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ADENOSINE-5'-DIPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE common 6229 2 ADP abbreviation 6229 2 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 . ADP . 6229 2 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 . ADP 1 1 6229 2 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 6229 _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 $DnaK . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Eubacteria . Thermus thermophilus HB8 . . . . . . . 'ATCC 27634' . . . . . . . 'DNAK THETH' . . . . 6229 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 6229 _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 $DnaK . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli 'BL21 De3' . . . . . . . . . . . . . . . . . . . . . . 6229 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 6229 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 6229 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 6229 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 6229 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 6229 ADP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 6229 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 6229 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6229 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'adenosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 6229 ADP '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6229 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 6229 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 6229 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 6229 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 6229 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 6229 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 6229 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 6229 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 6229 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 6229 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 6229 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 6229 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 6229 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 6229 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 6229 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 6229 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 6229 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 6229 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 6229 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 6229 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 6229 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 6229 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 6229 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 6229 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 6229 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 6229 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 6229 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 6229 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 6229 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 6229 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 6229 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 6229 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 6229 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 6229 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 6229 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 6229 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 6229 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 6229 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 6229 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 6229 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 6229 ADP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 6229 ADP PB PB PB PB . P . . N 0 . . . 1 no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 6229 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 6229 ADP 2 . SING PB O2B no N 2 . 6229 ADP 3 . SING PB O3B no N 3 . 6229 ADP 4 . SING PB O3A no N 4 . 6229 ADP 5 . SING O2B HOB2 no N 5 . 6229 ADP 6 . SING O3B HOB3 no N 6 . 6229 ADP 7 . DOUB PA O1A no N 7 . 6229 ADP 8 . SING PA O2A no N 8 . 6229 ADP 9 . SING PA O3A no N 9 . 6229 ADP 10 . SING PA O5' no N 10 . 6229 ADP 11 . SING O2A HOA2 no N 11 . 6229 ADP 12 . SING O5' C5' no N 12 . 6229 ADP 13 . SING C5' C4' no N 13 . 6229 ADP 14 . SING C5' H5'1 no N 14 . 6229 ADP 15 . SING C5' H5'2 no N 15 . 6229 ADP 16 . SING C4' O4' no N 16 . 6229 ADP 17 . SING C4' C3' no N 17 . 6229 ADP 18 . SING C4' H4' no N 18 . 6229 ADP 19 . SING O4' C1' no N 19 . 6229 ADP 20 . SING C3' O3' no N 20 . 6229 ADP 21 . SING C3' C2' no N 21 . 6229 ADP 22 . SING C3' H3' no N 22 . 6229 ADP 23 . SING O3' HO3' no N 23 . 6229 ADP 24 . SING C2' O2' no N 24 . 6229 ADP 25 . SING C2' C1' no N 25 . 6229 ADP 26 . SING C2' H2' no N 26 . 6229 ADP 27 . SING O2' HO2' no N 27 . 6229 ADP 28 . SING C1' N9 no N 28 . 6229 ADP 29 . SING C1' H1' no N 29 . 6229 ADP 30 . SING N9 C8 yes N 30 . 6229 ADP 31 . SING N9 C4 yes N 31 . 6229 ADP 32 . DOUB C8 N7 yes N 32 . 6229 ADP 33 . SING C8 H8 no N 33 . 6229 ADP 34 . SING N7 C5 yes N 34 . 6229 ADP 35 . SING C5 C6 yes N 35 . 6229 ADP 36 . DOUB C5 C4 yes N 36 . 6229 ADP 37 . SING C6 N6 no N 37 . 6229 ADP 38 . DOUB C6 N1 yes N 38 . 6229 ADP 39 . SING N6 HN61 no N 39 . 6229 ADP 40 . SING N6 HN62 no N 40 . 6229 ADP 41 . SING N1 C2 yes N 41 . 6229 ADP 42 . DOUB C2 N3 yes N 42 . 6229 ADP 43 . SING C2 H2 no N 43 . 6229 ADP 44 . SING N3 C4 yes N 44 . 6229 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 6229 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DnaK NBD' '[U-97% 2H; U-95% 13C; U-95% 15N]' . . 1 $DnaK . . . 0.4 0.6 mM . . . . 6229 1 2 HEPES . . . . . . . . 50 50 mM . . . . 6229 1 3 'Potassium Chloride' . . . . . . . . 10 10 mM . . . . 6229 1 4 'magnesium chloride' . . . . . . . . 5 5 mM . . . . 6229 1 5 ADP . . . . . . . . 5 5 mM . . . . 6229 1 6 'Sodium phosphate' . . . . . . . . 5 5 mM . . . . 6229 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond-1 _Sample_condition_list.Entry_ID 6229 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Samples were equilibrated at 55C for 20 minutes before data collection.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.2 na 6229 1 temperature 328 0.5 K 6229 1 'ionic strength' 0.1 0.02 M 6229 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6229 _Software.ID 1 _Software.Name NMRPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6229 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6229 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 6229 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6229 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 800 . . . 6229 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 6229 _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 '1H-15N TROSY' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 2 TROSY-HNCA . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 3 TROSY-HNCO . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 4 TROSY-HN(CA)CO . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 5 TROSY-HN(CO)CA . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 6 TROSY-HNCACB . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 7 TROSY-HN(CO)CACB . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 8 '1H-15N NOESY' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Cond-1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6229 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TROSY-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name TROSY-HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6229 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6229 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.000000000 . . . . . . . . . 6229 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6229 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6229 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6229 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TROSY' 1 $Sample_1 . 6229 1 2 TROSY-HNCA 1 $Sample_1 . 6229 1 3 TROSY-HNCO 1 $Sample_1 . 6229 1 4 TROSY-HN(CA)CO 1 $Sample_1 . 6229 1 5 TROSY-HN(CO)CA 1 $Sample_1 . 6229 1 6 TROSY-HNCACB 1 $Sample_1 . 6229 1 7 TROSY-HN(CO)CACB 1 $Sample_1 . 6229 1 8 '1H-15N NOESY' 1 $Sample_1 . 6229 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 21 21 MET H H 1 8.206 0.01 . 1 . . . . . . . . 6229 1 2 . 1 1 21 21 MET CA C 13 54.584 0.2 . 1 . . . . . . . . 6229 1 3 . 1 1 21 21 MET C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 4 . 1 1 21 21 MET N N 15 119.96 0.2 . 1 . . . . . . . . 6229 1 5 . 1 1 22 22 ALA H H 1 7.977 0.01 . 1 . . . . . . . . 6229 1 6 . 1 1 22 22 ALA CA C 13 51.484 0.2 . 1 . . . . . . . . 6229 1 7 . 1 1 22 22 ALA C C 13 179.38 0.2 . 1 . . . . . . . . 6229 1 8 . 1 1 22 22 ALA CB C 13 19.284 0.2 . 1 . . . . . . . . 6229 1 9 . 1 1 22 22 ALA N N 15 126.332 0.2 . 1 . . . . . . . . 6229 1 10 . 1 1 23 23 LYS H H 1 8.117 0.01 . 1 . . . . . . . . 6229 1 11 . 1 1 23 23 LYS CA C 13 54.984 0.2 . 1 . . . . . . . . 6229 1 12 . 1 1 23 23 LYS C C 13 173.58 0.2 . 1 . . . . . . . . 6229 1 13 . 1 1 23 23 LYS CB C 13 32.184 0.2 . 1 . . . . . . . . 6229 1 14 . 1 1 23 23 LYS N N 15 120.055 0.2 . 1 . . . . . . . . 6229 1 15 . 1 1 24 24 ALA H H 1 8.305 0.01 . 1 . . . . . . . . 6229 1 16 . 1 1 24 24 ALA CA C 13 50.284 0.2 . 1 . . . . . . . . 6229 1 17 . 1 1 24 24 ALA C C 13 175.18 0.2 . 1 . . . . . . . . 6229 1 18 . 1 1 24 24 ALA CB C 13 19.584 0.2 . 1 . . . . . . . . 6229 1 19 . 1 1 24 24 ALA N N 15 125.065 0.2 . 1 . . . . . . . . 6229 1 20 . 1 1 25 25 VAL H H 1 7.887 0.01 . 1 . . . . . . . . 6229 1 21 . 1 1 25 25 VAL CA C 13 59.384 0.2 . 1 . . . . . . . . 6229 1 22 . 1 1 25 25 VAL C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 23 . 1 1 25 25 VAL CB C 13 33.784 0.2 . 1 . . . . . . . . 6229 1 24 . 1 1 25 25 VAL N N 15 116.426 0.2 . 1 . . . . . . . . 6229 1 25 . 1 1 26 26 GLY H H 1 9 0.01 . 1 . . . . . . . . 6229 1 26 . 1 1 26 26 GLY CA C 13 43.784 0.2 . 1 . . . . . . . . 6229 1 27 . 1 1 26 26 GLY C C 13 170.98 0.2 . 1 . . . . . . . . 6229 1 28 . 1 1 26 26 GLY N N 15 109.793 0.2 . 1 . . . . . . . . 6229 1 29 . 1 1 27 27 ILE H H 1 8.48 0.01 . 1 . . . . . . . . 6229 1 30 . 1 1 27 27 ILE CA C 13 59.984 0.2 . 1 . . . . . . . . 6229 1 31 . 1 1 27 27 ILE C C 13 174.78 0.2 . 1 . . . . . . . . 6229 1 32 . 1 1 27 27 ILE CB C 13 41.684 0.2 . 1 . . . . . . . . 6229 1 33 . 1 1 27 27 ILE N N 15 123.656 0.2 . 1 . . . . . . . . 6229 1 34 . 1 1 28 28 ASP H H 1 8.295 0.01 . 1 . . . . . . . . 6229 1 35 . 1 1 28 28 ASP CA C 13 50.284 0.2 . 1 . . . . . . . . 6229 1 36 . 1 1 28 28 ASP C C 13 177.48 0.2 . 1 . . . . . . . . 6229 1 37 . 1 1 28 28 ASP CB C 13 41.984 0.2 . 1 . . . . . . . . 6229 1 38 . 1 1 28 28 ASP N N 15 125.725 0.2 . 1 . . . . . . . . 6229 1 39 . 1 1 29 29 LEU H H 1 6.93 0.01 . 1 . . . . . . . . 6229 1 40 . 1 1 29 29 LEU CA C 13 52.684 0.2 . 1 . . . . . . . . 6229 1 41 . 1 1 29 29 LEU CB C 13 40.984 0.2 . 1 . . . . . . . . 6229 1 42 . 1 1 29 29 LEU N N 15 130.145 0.2 . 1 . . . . . . . . 6229 1 43 . 1 1 34 34 SER CA C 13 57.984 0.2 . 1 . . . . . . . . 6229 1 44 . 1 1 34 34 SER C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 45 . 1 1 35 35 VAL H H 1 8.549 0.01 . 1 . . . . . . . . 6229 1 46 . 1 1 35 35 VAL CA C 13 60.984 0.2 . 1 . . . . . . . . 6229 1 47 . 1 1 35 35 VAL C C 13 171.88 0.2 . 1 . . . . . . . . 6229 1 48 . 1 1 35 35 VAL CB C 13 36.384 0.2 . 1 . . . . . . . . 6229 1 49 . 1 1 35 35 VAL N N 15 124.454 0.2 . 1 . . . . . . . . 6229 1 50 . 1 1 36 36 ILE H H 1 9.108 0.01 . 1 . . . . . . . . 6229 1 51 . 1 1 36 36 ILE CA C 13 57.884 0.2 . 1 . . . . . . . . 6229 1 52 . 1 1 36 36 ILE C C 13 170.88 0.2 . 1 . . . . . . . . 6229 1 53 . 1 1 36 36 ILE CB C 13 41.384 0.2 . 1 . . . . . . . . 6229 1 54 . 1 1 36 36 ILE N N 15 127.262 0.2 . 1 . . . . . . . . 6229 1 55 . 1 1 37 37 ALA H H 1 8.956 0.01 . 1 . . . . . . . . 6229 1 56 . 1 1 37 37 ALA CA C 13 49.484 0.2 . 1 . . . . . . . . 6229 1 57 . 1 1 37 37 ALA C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 58 . 1 1 37 37 ALA CB C 13 22.184 0.2 . 1 . . . . . . . . 6229 1 59 . 1 1 37 37 ALA N N 15 128.654 0.2 . 1 . . . . . . . . 6229 1 60 . 1 1 38 38 VAL H H 1 8.888 0.01 . 1 . . . . . . . . 6229 1 61 . 1 1 38 38 VAL CA C 13 58.484 0.2 . 1 . . . . . . . . 6229 1 62 . 1 1 38 38 VAL C C 13 172.78 0.2 . 1 . . . . . . . . 6229 1 63 . 1 1 38 38 VAL CB C 13 35.384 0.2 . 1 . . . . . . . . 6229 1 64 . 1 1 38 38 VAL N N 15 118.168 0.2 . 1 . . . . . . . . 6229 1 65 . 1 1 39 39 LEU H H 1 8.151 0.01 . 1 . . . . . . . . 6229 1 66 . 1 1 39 39 LEU CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 67 . 1 1 39 39 LEU C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 68 . 1 1 39 39 LEU CB C 13 40.984 0.2 . 1 . . . . . . . . 6229 1 69 . 1 1 39 39 LEU N N 15 125.149 0.2 . 1 . . . . . . . . 6229 1 70 . 1 1 40 40 GLU H H 1 8.87 0.01 . 1 . . . . . . . . 6229 1 71 . 1 1 40 40 GLU CA C 13 55.284 0.2 . 1 . . . . . . . . 6229 1 72 . 1 1 40 40 GLU C C 13 176.18 0.2 . 1 . . . . . . . . 6229 1 73 . 1 1 40 40 GLU CB C 13 30.884 0.2 . 1 . . . . . . . . 6229 1 74 . 1 1 40 40 GLU N N 15 127.653 0.2 . 1 . . . . . . . . 6229 1 75 . 1 1 44 44 PRO CA C 13 62.084 0.2 . 1 . . . . . . . . 6229 1 76 . 1 1 44 44 PRO C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 77 . 1 1 44 44 PRO CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 78 . 1 1 45 45 VAL H H 1 9.205 0.01 . 1 . . . . . . . . 6229 1 79 . 1 1 45 45 VAL CA C 13 60.484 0.2 . 1 . . . . . . . . 6229 1 80 . 1 1 45 45 VAL C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 81 . 1 1 45 45 VAL CB C 13 34.184 0.2 . 1 . . . . . . . . 6229 1 82 . 1 1 45 45 VAL N N 15 124.235 0.2 . 1 . . . . . . . . 6229 1 83 . 1 1 46 46 VAL H H 1 8.199 0.01 . 1 . . . . . . . . 6229 1 84 . 1 1 46 46 VAL CA C 13 62.384 0.2 . 1 . . . . . . . . 6229 1 85 . 1 1 46 46 VAL C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 86 . 1 1 46 46 VAL CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 87 . 1 1 46 46 VAL N N 15 127.581 0.2 . 1 . . . . . . . . 6229 1 88 . 1 1 47 47 LEU H H 1 8.072 0.01 . 1 . . . . . . . . 6229 1 89 . 1 1 47 47 LEU CA C 13 53.184 0.2 . 1 . . . . . . . . 6229 1 90 . 1 1 47 47 LEU C C 13 174.98 0.2 . 1 . . . . . . . . 6229 1 91 . 1 1 47 47 LEU CB C 13 41.784 0.2 . 1 . . . . . . . . 6229 1 92 . 1 1 47 47 LEU N N 15 128.229 0.2 . 1 . . . . . . . . 6229 1 93 . 1 1 48 48 GLU H H 1 8.202 0.01 . 1 . . . . . . . . 6229 1 94 . 1 1 48 48 GLU CA C 13 55.184 0.2 . 1 . . . . . . . . 6229 1 95 . 1 1 48 48 GLU C C 13 175.58 0.2 . 1 . . . . . . . . 6229 1 96 . 1 1 48 48 GLU CB C 13 29.884 0.2 . 1 . . . . . . . . 6229 1 97 . 1 1 48 48 GLU N N 15 121.455 0.2 . 1 . . . . . . . . 6229 1 98 . 1 1 49 49 ASN H H 1 8.048 0.01 . 1 . . . . . . . . 6229 1 99 . 1 1 49 49 ASN CA C 13 50.984 0.2 . 1 . . . . . . . . 6229 1 100 . 1 1 49 49 ASN C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 101 . 1 1 49 49 ASN CB C 13 37.984 0.2 . 1 . . . . . . . . 6229 1 102 . 1 1 49 49 ASN N N 15 118.563 0.2 . 1 . . . . . . . . 6229 1 103 . 1 1 50 50 ALA H H 1 8.85 0.01 . 1 . . . . . . . . 6229 1 104 . 1 1 50 50 ALA CA C 13 53.884 0.2 . 1 . . . . . . . . 6229 1 105 . 1 1 50 50 ALA C C 13 178.08 0.2 . 1 . . . . . . . . 6229 1 106 . 1 1 50 50 ALA CB C 13 18.584 0.2 . 1 . . . . . . . . 6229 1 107 . 1 1 50 50 ALA N N 15 122.681 0.2 . 1 . . . . . . . . 6229 1 108 . 1 1 51 51 GLU H H 1 7.875 0.01 . 1 . . . . . . . . 6229 1 109 . 1 1 51 51 GLU CA C 13 57.584 0.2 . 1 . . . . . . . . 6229 1 110 . 1 1 51 51 GLU C C 13 175.68 0.2 . 1 . . . . . . . . 6229 1 111 . 1 1 51 51 GLU CB C 13 27.684 0.2 . 1 . . . . . . . . 6229 1 112 . 1 1 51 51 GLU N N 15 118.175 0.2 . 1 . . . . . . . . 6229 1 113 . 1 1 52 52 GLY H H 1 8.184 0.01 . 1 . . . . . . . . 6229 1 114 . 1 1 52 52 GLY CA C 13 45.084 0.2 . 1 . . . . . . . . 6229 1 115 . 1 1 52 52 GLY C C 13 173.38 0.2 . 1 . . . . . . . . 6229 1 116 . 1 1 52 52 GLY N N 15 109.26 0.2 . 1 . . . . . . . . 6229 1 117 . 1 1 53 53 GLU H H 1 7.873 0.01 . 1 . . . . . . . . 6229 1 118 . 1 1 53 53 GLU CA C 13 55.284 0.2 . 1 . . . . . . . . 6229 1 119 . 1 1 53 53 GLU C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 120 . 1 1 53 53 GLU CB C 13 31.484 0.2 . 1 . . . . . . . . 6229 1 121 . 1 1 53 53 GLU N N 15 121.336 0.2 . 1 . . . . . . . . 6229 1 122 . 1 1 54 54 ARG H H 1 8.337 0.01 . 1 . . . . . . . . 6229 1 123 . 1 1 54 54 ARG CA C 13 61.184 0.2 . 1 . . . . . . . . 6229 1 124 . 1 1 54 54 ARG C C 13 175.58 0.2 . 1 . . . . . . . . 6229 1 125 . 1 1 54 54 ARG CB C 13 31.484 0.2 . 1 . . . . . . . . 6229 1 126 . 1 1 54 54 ARG N N 15 120.414 0.2 . 1 . . . . . . . . 6229 1 127 . 1 1 57 57 PRO CA C 13 63.084 0.2 . 1 . . . . . . . . 6229 1 128 . 1 1 57 57 PRO C C 13 176.98 0.2 . 1 . . . . . . . . 6229 1 129 . 1 1 58 58 SER H H 1 9.426 0.01 . 1 . . . . . . . . 6229 1 130 . 1 1 58 58 SER CA C 13 61.384 0.2 . 1 . . . . . . . . 6229 1 131 . 1 1 58 58 SER C C 13 175.18 0.2 . 1 . . . . . . . . 6229 1 132 . 1 1 58 58 SER N N 15 125.419 0.2 . 1 . . . . . . . . 6229 1 133 . 1 1 59 59 VAL H H 1 8.574 0.01 . 1 . . . . . . . . 6229 1 134 . 1 1 59 59 VAL CA C 13 60.384 0.2 . 1 . . . . . . . . 6229 1 135 . 1 1 59 59 VAL C C 13 172.28 0.2 . 1 . . . . . . . . 6229 1 136 . 1 1 59 59 VAL CB C 13 35.184 0.2 . 1 . . . . . . . . 6229 1 137 . 1 1 59 59 VAL N N 15 127.195 0.2 . 1 . . . . . . . . 6229 1 138 . 1 1 60 60 VAL H H 1 7.962 0.01 . 1 . . . . . . . . 6229 1 139 . 1 1 60 60 VAL CA C 13 59.584 0.2 . 1 . . . . . . . . 6229 1 140 . 1 1 60 60 VAL C C 13 172.48 0.2 . 1 . . . . . . . . 6229 1 141 . 1 1 60 60 VAL CB C 13 35.284 0.2 . 1 . . . . . . . . 6229 1 142 . 1 1 60 60 VAL N N 15 126.937 0.2 . 1 . . . . . . . . 6229 1 143 . 1 1 61 61 ALA H H 1 9.265 0.01 . 1 . . . . . . . . 6229 1 144 . 1 1 61 61 ALA CA C 13 49.084 0.2 . 1 . . . . . . . . 6229 1 145 . 1 1 61 61 ALA C C 13 173.58 0.2 . 1 . . . . . . . . 6229 1 146 . 1 1 61 61 ALA CB C 13 24.184 0.2 . 1 . . . . . . . . 6229 1 147 . 1 1 61 61 ALA N N 15 127.737 0.2 . 1 . . . . . . . . 6229 1 148 . 1 1 62 62 PHE H H 1 8.577 0.01 . 1 . . . . . . . . 6229 1 149 . 1 1 62 62 PHE CA C 13 56.384 0.2 . 1 . . . . . . . . 6229 1 150 . 1 1 62 62 PHE C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 151 . 1 1 62 62 PHE CB C 13 39.384 0.2 . 1 . . . . . . . . 6229 1 152 . 1 1 62 62 PHE N N 15 121.703 0.2 . 1 . . . . . . . . 6229 1 153 . 1 1 63 63 ARG H H 1 8.462 0.01 . 1 . . . . . . . . 6229 1 154 . 1 1 63 63 ARG CA C 13 54.484 0.2 . 1 . . . . . . . . 6229 1 155 . 1 1 63 63 ARG C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 156 . 1 1 63 63 ARG CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 157 . 1 1 63 63 ARG N N 15 125.401 0.2 . 1 . . . . . . . . 6229 1 158 . 1 1 64 64 ASP H H 1 8.811 0.01 . 1 . . . . . . . . 6229 1 159 . 1 1 64 64 ASP CA C 13 50.984 0.2 . 1 . . . . . . . . 6229 1 160 . 1 1 64 64 ASP CB C 13 36.684 0.2 . 1 . . . . . . . . 6229 1 161 . 1 1 64 64 ASP N N 15 124.216 0.2 . 1 . . . . . . . . 6229 1 162 . 1 1 65 65 GLY H H 1 7.558 0.01 . 1 . . . . . . . . 6229 1 163 . 1 1 65 65 GLY CA C 13 45.584 0.2 . 1 . . . . . . . . 6229 1 164 . 1 1 65 65 GLY C C 13 174.18 0.2 . 1 . . . . . . . . 6229 1 165 . 1 1 65 65 GLY N N 15 116.034 0.2 . 1 . . . . . . . . 6229 1 166 . 1 1 66 66 GLU H H 1 8.401 0.01 . 1 . . . . . . . . 6229 1 167 . 1 1 66 66 GLU CA C 13 55.484 0.2 . 1 . . . . . . . . 6229 1 168 . 1 1 66 66 GLU C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 169 . 1 1 66 66 GLU CB C 13 35.684 0.2 . 1 . . . . . . . . 6229 1 170 . 1 1 66 66 GLU N N 15 123.222 0.2 . 1 . . . . . . . . 6229 1 171 . 1 1 67 67 THR H H 1 8.308 0.01 . 1 . . . . . . . . 6229 1 172 . 1 1 67 67 THR CA C 13 61.084 0.2 . 1 . . . . . . . . 6229 1 173 . 1 1 67 67 THR C C 13 173.08 0.2 . 1 . . . . . . . . 6229 1 174 . 1 1 67 67 THR CB C 13 69.684 0.2 . 1 . . . . . . . . 6229 1 175 . 1 1 67 67 THR N N 15 120.485 0.2 . 1 . . . . . . . . 6229 1 176 . 1 1 68 68 LEU H H 1 9.121 0.01 . 1 . . . . . . . . 6229 1 177 . 1 1 68 68 LEU CA C 13 52.584 0.2 . 1 . . . . . . . . 6229 1 178 . 1 1 68 68 LEU C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 179 . 1 1 68 68 LEU CB C 13 43.284 0.2 . 1 . . . . . . . . 6229 1 180 . 1 1 68 68 LEU N N 15 128.175 0.2 . 1 . . . . . . . . 6229 1 181 . 1 1 69 69 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 6229 1 182 . 1 1 69 69 VAL CA C 13 60.584 0.2 . 1 . . . . . . . . 6229 1 183 . 1 1 69 69 VAL C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 184 . 1 1 69 69 VAL CB C 13 33.984 0.2 . 1 . . . . . . . . 6229 1 185 . 1 1 69 69 VAL N N 15 122.07 0.2 . 1 . . . . . . . . 6229 1 186 . 1 1 70 70 GLY H H 1 8.748 0.01 . 1 . . . . . . . . 6229 1 187 . 1 1 70 70 GLY CA C 13 44.484 0.2 . 1 . . . . . . . . 6229 1 188 . 1 1 70 70 GLY C C 13 175.28 0.2 . 1 . . . . . . . . 6229 1 189 . 1 1 70 70 GLY N N 15 114.584 0.2 . 1 . . . . . . . . 6229 1 190 . 1 1 71 71 ARG H H 1 10.577 0.01 . 1 . . . . . . . . 6229 1 191 . 1 1 71 71 ARG CA C 13 59.884 0.2 . 1 . . . . . . . . 6229 1 192 . 1 1 71 71 ARG C C 13 177.08 0.2 . 1 . . . . . . . . 6229 1 193 . 1 1 71 71 ARG CB C 13 28.884 0.2 . 1 . . . . . . . . 6229 1 194 . 1 1 71 71 ARG N N 15 132.72 0.2 . 1 . . . . . . . . 6229 1 195 . 1 1 72 72 MET H H 1 9.365 0.01 . 1 . . . . . . . . 6229 1 196 . 1 1 72 72 MET CA C 13 57.184 0.2 . 1 . . . . . . . . 6229 1 197 . 1 1 72 72 MET C C 13 177.68 0.2 . 1 . . . . . . . . 6229 1 198 . 1 1 72 72 MET CB C 13 31.284 0.2 . 1 . . . . . . . . 6229 1 199 . 1 1 72 72 MET N N 15 115.781 0.2 . 1 . . . . . . . . 6229 1 200 . 1 1 73 73 ALA H H 1 6.67 0.01 . 1 . . . . . . . . 6229 1 201 . 1 1 73 73 ALA CA C 13 52.784 0.2 . 1 . . . . . . . . 6229 1 202 . 1 1 73 73 ALA C C 13 179.28 0.2 . 1 . . . . . . . . 6229 1 203 . 1 1 73 73 ALA CB C 13 18.284 0.2 . 1 . . . . . . . . 6229 1 204 . 1 1 73 73 ALA N N 15 118.635 0.2 . 1 . . . . . . . . 6229 1 205 . 1 1 74 74 LYS H H 1 8.193 0.01 . 1 . . . . . . . . 6229 1 206 . 1 1 74 74 LYS CA C 13 59.684 0.2 . 1 . . . . . . . . 6229 1 207 . 1 1 74 74 LYS C C 13 177.48 0.2 . 1 . . . . . . . . 6229 1 208 . 1 1 74 74 LYS CB C 13 32.084 0.2 . 1 . . . . . . . . 6229 1 209 . 1 1 74 74 LYS N N 15 123.265 0.2 . 1 . . . . . . . . 6229 1 210 . 1 1 75 75 ARG H H 1 7.871 0.01 . 1 . . . . . . . . 6229 1 211 . 1 1 75 75 ARG CA C 13 57.884 0.2 . 1 . . . . . . . . 6229 1 212 . 1 1 75 75 ARG C C 13 174.28 0.2 . 1 . . . . . . . . 6229 1 213 . 1 1 75 75 ARG CB C 13 29.584 0.2 . 1 . . . . . . . . 6229 1 214 . 1 1 75 75 ARG N N 15 115.429 0.2 . 1 . . . . . . . . 6229 1 215 . 1 1 76 76 GLN H H 1 7.086 0.01 . 1 . . . . . . . . 6229 1 216 . 1 1 76 76 GLN CA C 13 52.984 0.2 . 1 . . . . . . . . 6229 1 217 . 1 1 76 76 GLN C C 13 174.98 0.2 . 1 . . . . . . . . 6229 1 218 . 1 1 76 76 GLN CB C 13 28.784 0.2 . 1 . . . . . . . . 6229 1 219 . 1 1 76 76 GLN N N 15 111.806 0.2 . 1 . . . . . . . . 6229 1 220 . 1 1 77 77 ALA H H 1 7.226 0.01 . 1 . . . . . . . . 6229 1 221 . 1 1 77 77 ALA CA C 13 54.984 0.2 . 1 . . . . . . . . 6229 1 222 . 1 1 77 77 ALA C C 13 179.38 0.2 . 1 . . . . . . . . 6229 1 223 . 1 1 77 77 ALA CB C 13 18.884 0.2 . 1 . . . . . . . . 6229 1 224 . 1 1 77 77 ALA N N 15 124.616 0.2 . 1 . . . . . . . . 6229 1 225 . 1 1 78 78 VAL H H 1 8.811 0.01 . 1 . . . . . . . . 6229 1 226 . 1 1 78 78 VAL CA C 13 63.584 0.2 . 1 . . . . . . . . 6229 1 227 . 1 1 78 78 VAL C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 228 . 1 1 78 78 VAL CB C 13 31.084 0.2 . 1 . . . . . . . . 6229 1 229 . 1 1 78 78 VAL N N 15 117.142 0.2 . 1 . . . . . . . . 6229 1 230 . 1 1 79 79 LEU H H 1 6.852 0.01 . 1 . . . . . . . . 6229 1 231 . 1 1 79 79 LEU CA C 13 55.484 0.2 . 1 . . . . . . . . 6229 1 232 . 1 1 79 79 LEU C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 233 . 1 1 79 79 LEU CB C 13 40.784 0.2 . 1 . . . . . . . . 6229 1 234 . 1 1 79 79 LEU N N 15 117.386 0.2 . 1 . . . . . . . . 6229 1 235 . 1 1 80 80 ASN H H 1 7.24 0.01 . 1 . . . . . . . . 6229 1 236 . 1 1 80 80 ASN CA C 13 49.484 0.2 . 1 . . . . . . . . 6229 1 237 . 1 1 80 80 ASN C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 238 . 1 1 80 80 ASN CB C 13 37.884 0.2 . 1 . . . . . . . . 6229 1 239 . 1 1 80 80 ASN N N 15 115.571 0.2 . 1 . . . . . . . . 6229 1 240 . 1 1 81 81 PRO CA C 13 64.184 0.2 . 1 . . . . . . . . 6229 1 241 . 1 1 81 81 PRO C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 242 . 1 1 81 81 PRO CB C 13 30.884 0.2 . 1 . . . . . . . . 6229 1 243 . 1 1 82 82 GLU H H 1 8.714 0.01 . 1 . . . . . . . . 6229 1 244 . 1 1 82 82 GLU CA C 13 57.984 0.2 . 1 . . . . . . . . 6229 1 245 . 1 1 82 82 GLU C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 246 . 1 1 82 82 GLU CB C 13 28.584 0.2 . 1 . . . . . . . . 6229 1 247 . 1 1 82 82 GLU N N 15 115.825 0.2 . 1 . . . . . . . . 6229 1 248 . 1 1 83 83 GLY H H 1 6.966 0.01 . 1 . . . . . . . . 6229 1 249 . 1 1 83 83 GLY CA C 13 44.184 0.2 . 1 . . . . . . . . 6229 1 250 . 1 1 83 83 GLY C C 13 176.88 0.2 . 1 . . . . . . . . 6229 1 251 . 1 1 83 83 GLY N N 15 102.799 0.2 . 1 . . . . . . . . 6229 1 252 . 1 1 89 89 LYS CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 253 . 1 1 89 89 LYS C C 13 176.18 0.2 . 1 . . . . . . . . 6229 1 254 . 1 1 89 89 LYS CB C 13 34.384 0.2 . 1 . . . . . . . . 6229 1 255 . 1 1 90 90 ARG H H 1 7.669 0.01 . 1 . . . . . . . . 6229 1 256 . 1 1 90 90 ARG CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 257 . 1 1 90 90 ARG C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 258 . 1 1 90 90 ARG CB C 13 28.784 0.2 . 1 . . . . . . . . 6229 1 259 . 1 1 90 90 ARG N N 15 115.039 0.2 . 1 . . . . . . . . 6229 1 260 . 1 1 91 91 PHE H H 1 8.061 0.01 . 1 . . . . . . . . 6229 1 261 . 1 1 91 91 PHE CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 262 . 1 1 91 91 PHE C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 263 . 1 1 91 91 PHE CB C 13 40.684 0.2 . 1 . . . . . . . . 6229 1 264 . 1 1 91 91 PHE N N 15 113.147 0.2 . 1 . . . . . . . . 6229 1 265 . 1 1 92 92 ILE H H 1 6.865 0.01 . 1 . . . . . . . . 6229 1 266 . 1 1 92 92 ILE CA C 13 61.884 0.2 . 1 . . . . . . . . 6229 1 267 . 1 1 92 92 ILE C C 13 174.78 0.2 . 1 . . . . . . . . 6229 1 268 . 1 1 92 92 ILE CB C 13 38.484 0.2 . 1 . . . . . . . . 6229 1 269 . 1 1 92 92 ILE N N 15 119.716 0.2 . 1 . . . . . . . . 6229 1 270 . 1 1 93 93 GLY H H 1 9.901 0.01 . 1 . . . . . . . . 6229 1 271 . 1 1 93 93 GLY CA C 13 46.184 0.2 . 1 . . . . . . . . 6229 1 272 . 1 1 93 93 GLY C C 13 172.58 0.2 . 1 . . . . . . . . 6229 1 273 . 1 1 93 93 GLY N N 15 115.793 0.2 . 1 . . . . . . . . 6229 1 274 . 1 1 94 94 ARG H H 1 7.295 0.01 . 1 . . . . . . . . 6229 1 275 . 1 1 94 94 ARG CA C 13 53.884 0.2 . 1 . . . . . . . . 6229 1 276 . 1 1 94 94 ARG C C 13 176.08 0.2 . 1 . . . . . . . . 6229 1 277 . 1 1 94 94 ARG CB C 13 31.284 0.2 . 1 . . . . . . . . 6229 1 278 . 1 1 94 94 ARG N N 15 117.537 0.2 . 1 . . . . . . . . 6229 1 279 . 1 1 95 95 ARG H H 1 8.867 0.01 . 1 . . . . . . . . 6229 1 280 . 1 1 95 95 ARG CA C 13 54.984 0.2 . 1 . . . . . . . . 6229 1 281 . 1 1 95 95 ARG C C 13 177.88 0.2 . 1 . . . . . . . . 6229 1 282 . 1 1 95 95 ARG CB C 13 29.784 0.2 . 1 . . . . . . . . 6229 1 283 . 1 1 95 95 ARG N N 15 121.273 0.2 . 1 . . . . . . . . 6229 1 284 . 1 1 96 96 PHE H H 1 8.867 0.01 . 1 . . . . . . . . 6229 1 285 . 1 1 96 96 PHE CA C 13 62.184 0.2 . 1 . . . . . . . . 6229 1 286 . 1 1 96 96 PHE C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 287 . 1 1 96 96 PHE CB C 13 37.784 0.2 . 1 . . . . . . . . 6229 1 288 . 1 1 96 96 PHE N N 15 125.141 0.2 . 1 . . . . . . . . 6229 1 289 . 1 1 97 97 GLU H H 1 9.062 0.01 . 1 . . . . . . . . 6229 1 290 . 1 1 97 97 GLU CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 291 . 1 1 97 97 GLU C C 13 177.18 0.2 . 1 . . . . . . . . 6229 1 292 . 1 1 97 97 GLU CB C 13 28.284 0.2 . 1 . . . . . . . . 6229 1 293 . 1 1 97 97 GLU N N 15 115.538 0.2 . 1 . . . . . . . . 6229 1 294 . 1 1 98 98 GLU H H 1 7.428 0.01 . 1 . . . . . . . . 6229 1 295 . 1 1 98 98 GLU CA C 13 56.884 0.2 . 1 . . . . . . . . 6229 1 296 . 1 1 98 98 GLU C C 13 177.48 0.2 . 1 . . . . . . . . 6229 1 297 . 1 1 98 98 GLU CB C 13 30.484 0.2 . 1 . . . . . . . . 6229 1 298 . 1 1 98 98 GLU N N 15 116.525 0.2 . 1 . . . . . . . . 6229 1 299 . 1 1 99 99 VAL H H 1 7.323 0.01 . 1 . . . . . . . . 6229 1 300 . 1 1 99 99 VAL CA C 13 59.884 0.2 . 1 . . . . . . . . 6229 1 301 . 1 1 99 99 VAL C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 302 . 1 1 99 99 VAL CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 303 . 1 1 99 99 VAL N N 15 110.501 0.2 . 1 . . . . . . . . 6229 1 304 . 1 1 100 100 GLN H H 1 7.231 0.01 . 1 . . . . . . . . 6229 1 305 . 1 1 100 100 GLN CA C 13 59.484 0.2 . 1 . . . . . . . . 6229 1 306 . 1 1 100 100 GLN C C 13 177.38 0.2 . 1 . . . . . . . . 6229 1 307 . 1 1 100 100 GLN CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 308 . 1 1 100 100 GLN N N 15 122.924 0.2 . 1 . . . . . . . . 6229 1 309 . 1 1 101 101 GLU H H 1 7.902 0.01 . 1 . . . . . . . . 6229 1 310 . 1 1 101 101 GLU CA C 13 59.484 0.2 . 1 . . . . . . . . 6229 1 311 . 1 1 101 101 GLU C C 13 178.78 0.2 . 1 . . . . . . . . 6229 1 312 . 1 1 101 101 GLU CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 313 . 1 1 101 101 GLU N N 15 118.513 0.2 . 1 . . . . . . . . 6229 1 314 . 1 1 102 102 GLU H H 1 7.39 0.01 . 1 . . . . . . . . 6229 1 315 . 1 1 102 102 GLU CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 316 . 1 1 102 102 GLU C C 13 178.98 0.2 . 1 . . . . . . . . 6229 1 317 . 1 1 102 102 GLU CB C 13 28.384 0.2 . 1 . . . . . . . . 6229 1 318 . 1 1 102 102 GLU N N 15 121.662 0.2 . 1 . . . . . . . . 6229 1 319 . 1 1 103 103 ALA H H 1 8.456 0.01 . 1 . . . . . . . . 6229 1 320 . 1 1 103 103 ALA CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 321 . 1 1 103 103 ALA C C 13 177.58 0.2 . 1 . . . . . . . . 6229 1 322 . 1 1 103 103 ALA CB C 13 16.984 0.2 . 1 . . . . . . . . 6229 1 323 . 1 1 103 103 ALA N N 15 121.018 0.2 . 1 . . . . . . . . 6229 1 324 . 1 1 104 104 LYS H H 1 7.118 0.01 . 1 . . . . . . . . 6229 1 325 . 1 1 104 104 LYS CA C 13 56.784 0.2 . 1 . . . . . . . . 6229 1 326 . 1 1 104 104 LYS C C 13 176.08 0.2 . 1 . . . . . . . . 6229 1 327 . 1 1 104 104 LYS CB C 13 31.684 0.2 . 1 . . . . . . . . 6229 1 328 . 1 1 104 104 LYS N N 15 114.669 0.2 . 1 . . . . . . . . 6229 1 329 . 1 1 105 105 ARG H H 1 7.394 0.01 . 1 . . . . . . . . 6229 1 330 . 1 1 105 105 ARG CA C 13 56.284 0.2 . 1 . . . . . . . . 6229 1 331 . 1 1 105 105 ARG C C 13 176.08 0.2 . 1 . . . . . . . . 6229 1 332 . 1 1 105 105 ARG CB C 13 30.784 0.2 . 1 . . . . . . . . 6229 1 333 . 1 1 105 105 ARG N N 15 117.554 0.2 . 1 . . . . . . . . 6229 1 334 . 1 1 106 106 VAL H H 1 6.986 0.01 . 1 . . . . . . . . 6229 1 335 . 1 1 106 106 VAL CA C 13 57.684 0.2 . 1 . . . . . . . . 6229 1 336 . 1 1 106 106 VAL C C 13 175.28 0.2 . 1 . . . . . . . . 6229 1 337 . 1 1 106 106 VAL CB C 13 31.984 0.2 . 1 . . . . . . . . 6229 1 338 . 1 1 106 106 VAL N N 15 111.889 0.2 . 1 . . . . . . . . 6229 1 339 . 1 1 108 108 TYR CA C 13 53.884 0.2 . 1 . . . . . . . . 6229 1 340 . 1 1 108 108 TYR C C 13 178.18 0.2 . 1 . . . . . . . . 6229 1 341 . 1 1 108 108 TYR CB C 13 37.184 0.2 . 1 . . . . . . . . 6229 1 342 . 1 1 109 109 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 6229 1 343 . 1 1 109 109 LYS CA C 13 57.084 0.2 . 1 . . . . . . . . 6229 1 344 . 1 1 109 109 LYS C C 13 177.08 0.2 . 1 . . . . . . . . 6229 1 345 . 1 1 109 109 LYS CB C 13 31.984 0.2 . 1 . . . . . . . . 6229 1 346 . 1 1 109 109 LYS N N 15 118.156 0.2 . 1 . . . . . . . . 6229 1 347 . 1 1 110 110 VAL H H 1 7.349 0.01 . 1 . . . . . . . . 6229 1 348 . 1 1 110 110 VAL CA C 13 60.884 0.2 . 1 . . . . . . . . 6229 1 349 . 1 1 110 110 VAL C C 13 177.18 0.2 . 1 . . . . . . . . 6229 1 350 . 1 1 110 110 VAL CB C 13 31.984 0.2 . 1 . . . . . . . . 6229 1 351 . 1 1 110 110 VAL N N 15 121.251 0.2 . 1 . . . . . . . . 6229 1 352 . 1 1 111 111 VAL H H 1 7.287 0.01 . 1 . . . . . . . . 6229 1 353 . 1 1 111 111 VAL CA C 13 57.284 0.2 . 1 . . . . . . . . 6229 1 354 . 1 1 111 111 VAL C C 13 176.98 0.2 . 1 . . . . . . . . 6229 1 355 . 1 1 111 111 VAL CB C 13 33.284 0.2 . 1 . . . . . . . . 6229 1 356 . 1 1 111 111 VAL N N 15 119.175 0.2 . 1 . . . . . . . . 6229 1 357 . 1 1 112 112 PRO CA C 13 61.384 0.2 . 1 . . . . . . . . 6229 1 358 . 1 1 112 112 PRO C C 13 177.78 0.2 . 1 . . . . . . . . 6229 1 359 . 1 1 112 112 PRO CB C 13 29.984 0.2 . 1 . . . . . . . . 6229 1 360 . 1 1 113 113 GLY H H 1 8.347 0.01 . 1 . . . . . . . . 6229 1 361 . 1 1 113 113 GLY CA C 13 42.784 0.2 . 1 . . . . . . . . 6229 1 362 . 1 1 113 113 GLY C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 363 . 1 1 113 113 GLY N N 15 108.345 0.2 . 1 . . . . . . . . 6229 1 364 . 1 1 115 115 ASP CA C 13 52.384 0.2 . 1 . . . . . . . . 6229 1 365 . 1 1 115 115 ASP C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 366 . 1 1 115 115 ASP CB C 13 40.184 0.2 . 1 . . . . . . . . 6229 1 367 . 1 1 116 116 GLY H H 1 7.946 0.01 . 1 . . . . . . . . 6229 1 368 . 1 1 116 116 GLY CA C 13 45.084 0.2 . 1 . . . . . . . . 6229 1 369 . 1 1 116 116 GLY C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 370 . 1 1 116 116 GLY N N 15 109.572 0.2 . 1 . . . . . . . . 6229 1 371 . 1 1 117 117 GLY H H 1 8.218 0.01 . 1 . . . . . . . . 6229 1 372 . 1 1 117 117 GLY CA C 13 44.284 0.2 . 1 . . . . . . . . 6229 1 373 . 1 1 117 117 GLY C C 13 172.08 0.2 . 1 . . . . . . . . 6229 1 374 . 1 1 117 117 GLY N N 15 110.125 0.2 . 1 . . . . . . . . 6229 1 375 . 1 1 118 118 VAL H H 1 8.338 0.01 . 1 . . . . . . . . 6229 1 376 . 1 1 118 118 VAL CA C 13 62.484 0.2 . 1 . . . . . . . . 6229 1 377 . 1 1 118 118 VAL C C 13 175.38 0.2 . 1 . . . . . . . . 6229 1 378 . 1 1 118 118 VAL CB C 13 32.884 0.2 . 1 . . . . . . . . 6229 1 379 . 1 1 118 118 VAL N N 15 120.822 0.2 . 1 . . . . . . . . 6229 1 380 . 1 1 119 119 ARG H H 1 9.03 0.01 . 1 . . . . . . . . 6229 1 381 . 1 1 119 119 ARG CA C 13 52.584 0.2 . 1 . . . . . . . . 6229 1 382 . 1 1 119 119 ARG C C 13 173.58 0.2 . 1 . . . . . . . . 6229 1 383 . 1 1 119 119 ARG CB C 13 32.784 0.2 . 1 . . . . . . . . 6229 1 384 . 1 1 119 119 ARG N N 15 125.12 0.2 . 1 . . . . . . . . 6229 1 385 . 1 1 120 120 VAL H H 1 9.063 0.01 . 1 . . . . . . . . 6229 1 386 . 1 1 120 120 VAL CA C 13 59.784 0.2 . 1 . . . . . . . . 6229 1 387 . 1 1 120 120 VAL C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 388 . 1 1 120 120 VAL CB C 13 32.784 0.2 . 1 . . . . . . . . 6229 1 389 . 1 1 120 120 VAL N N 15 119.899 0.2 . 1 . . . . . . . . 6229 1 390 . 1 1 121 121 GLU H H 1 8.534 0.01 . 1 . . . . . . . . 6229 1 391 . 1 1 121 121 GLU CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 392 . 1 1 121 121 GLU C C 13 174.78 0.2 . 1 . . . . . . . . 6229 1 393 . 1 1 121 121 GLU CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 394 . 1 1 121 121 GLU N N 15 129.379 0.2 . 1 . . . . . . . . 6229 1 395 . 1 1 122 122 VAL H H 1 8.933 0.01 . 1 . . . . . . . . 6229 1 396 . 1 1 122 122 VAL CA C 13 61.184 0.2 . 1 . . . . . . . . 6229 1 397 . 1 1 122 122 VAL C C 13 174.98 0.2 . 1 . . . . . . . . 6229 1 398 . 1 1 122 122 VAL CB C 13 33.084 0.2 . 1 . . . . . . . . 6229 1 399 . 1 1 122 122 VAL N N 15 127.421 0.2 . 1 . . . . . . . . 6229 1 400 . 1 1 123 123 LYS H H 1 9.316 0.01 . 1 . . . . . . . . 6229 1 401 . 1 1 123 123 LYS CA C 13 56.384 0.2 . 1 . . . . . . . . 6229 1 402 . 1 1 123 123 LYS C C 13 175.78 0.2 . 1 . . . . . . . . 6229 1 403 . 1 1 123 123 LYS CB C 13 29.284 0.2 . 1 . . . . . . . . 6229 1 404 . 1 1 123 123 LYS N N 15 130.127 0.2 . 1 . . . . . . . . 6229 1 405 . 1 1 124 124 GLY H H 1 8.477 0.01 . 1 . . . . . . . . 6229 1 406 . 1 1 124 124 GLY CA C 13 45.084 0.2 . 1 . . . . . . . . 6229 1 407 . 1 1 124 124 GLY C C 13 172.78 0.2 . 1 . . . . . . . . 6229 1 408 . 1 1 124 124 GLY N N 15 105.758 0.2 . 1 . . . . . . . . 6229 1 409 . 1 1 125 125 LYS H H 1 7.696 0.01 . 1 . . . . . . . . 6229 1 410 . 1 1 125 125 LYS CA C 13 54.584 0.2 . 1 . . . . . . . . 6229 1 411 . 1 1 125 125 LYS C C 13 173.48 0.2 . 1 . . . . . . . . 6229 1 412 . 1 1 125 125 LYS CB C 13 33.084 0.2 . 1 . . . . . . . . 6229 1 413 . 1 1 125 125 LYS N N 15 123.569 0.2 . 1 . . . . . . . . 6229 1 414 . 1 1 126 126 LEU H H 1 7.755 0.01 . 1 . . . . . . . . 6229 1 415 . 1 1 126 126 LEU CA C 13 52.984 0.2 . 1 . . . . . . . . 6229 1 416 . 1 1 126 126 LEU C C 13 176.28 0.2 . 1 . . . . . . . . 6229 1 417 . 1 1 126 126 LEU CB C 13 42.984 0.2 . 1 . . . . . . . . 6229 1 418 . 1 1 126 126 LEU N N 15 122.726 0.2 . 1 . . . . . . . . 6229 1 419 . 1 1 127 127 TYR H H 1 9.087 0.01 . 1 . . . . . . . . 6229 1 420 . 1 1 127 127 TYR CA C 13 56.284 0.2 . 1 . . . . . . . . 6229 1 421 . 1 1 127 127 TYR C C 13 175.98 0.2 . 1 . . . . . . . . 6229 1 422 . 1 1 127 127 TYR CB C 13 41.684 0.2 . 1 . . . . . . . . 6229 1 423 . 1 1 127 127 TYR N N 15 121.643 0.2 . 1 . . . . . . . . 6229 1 424 . 1 1 128 128 THR H H 1 9.369 0.01 . 1 . . . . . . . . 6229 1 425 . 1 1 128 128 THR CA C 13 59.384 0.2 . 1 . . . . . . . . 6229 1 426 . 1 1 128 128 THR C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 427 . 1 1 128 128 THR CB C 13 68.384 0.2 . 1 . . . . . . . . 6229 1 428 . 1 1 128 128 THR N N 15 114.677 0.2 . 1 . . . . . . . . 6229 1 429 . 1 1 129 129 PRO CA C 13 65.284 0.2 . 1 . . . . . . . . 6229 1 430 . 1 1 129 129 PRO C C 13 178.98 0.2 . 1 . . . . . . . . 6229 1 431 . 1 1 129 129 PRO CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 432 . 1 1 130 130 GLU H H 1 11.127 0.01 . 1 . . . . . . . . 6229 1 433 . 1 1 130 130 GLU CA C 13 61.184 0.2 . 1 . . . . . . . . 6229 1 434 . 1 1 130 130 GLU C C 13 178.38 0.2 . 1 . . . . . . . . 6229 1 435 . 1 1 130 130 GLU CB C 13 28.084 0.2 . 1 . . . . . . . . 6229 1 436 . 1 1 130 130 GLU N N 15 122.561 0.2 . 1 . . . . . . . . 6229 1 437 . 1 1 131 131 GLU H H 1 8.113 0.01 . 1 . . . . . . . . 6229 1 438 . 1 1 131 131 GLU CA C 13 59.184 0.2 . 1 . . . . . . . . 6229 1 439 . 1 1 131 131 GLU C C 13 178.78 0.2 . 1 . . . . . . . . 6229 1 440 . 1 1 131 131 GLU CB C 13 29.284 0.2 . 1 . . . . . . . . 6229 1 441 . 1 1 131 131 GLU N N 15 122.304 0.2 . 1 . . . . . . . . 6229 1 442 . 1 1 132 132 ILE H H 1 7.806 0.01 . 1 . . . . . . . . 6229 1 443 . 1 1 132 132 ILE CA C 13 62.384 0.2 . 1 . . . . . . . . 6229 1 444 . 1 1 132 132 ILE C C 13 177.98 0.2 . 1 . . . . . . . . 6229 1 445 . 1 1 132 132 ILE CB C 13 35.584 0.2 . 1 . . . . . . . . 6229 1 446 . 1 1 132 132 ILE N N 15 120.121 0.2 . 1 . . . . . . . . 6229 1 447 . 1 1 133 133 SER H H 1 8.427 0.01 . 1 . . . . . . . . 6229 1 448 . 1 1 133 133 SER CA C 13 62.484 0.2 . 1 . . . . . . . . 6229 1 449 . 1 1 133 133 SER C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 450 . 1 1 133 133 SER CB C 13 62.784 0.2 . 1 . . . . . . . . 6229 1 451 . 1 1 133 133 SER N N 15 116.239 0.2 . 1 . . . . . . . . 6229 1 452 . 1 1 134 134 ALA H H 1 8.529 0.01 . 1 . . . . . . . . 6229 1 453 . 1 1 134 134 ALA CA C 13 54.384 0.2 . 1 . . . . . . . . 6229 1 454 . 1 1 134 134 ALA C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 455 . 1 1 134 134 ALA CB C 13 18.884 0.2 . 1 . . . . . . . . 6229 1 456 . 1 1 134 134 ALA N N 15 124.288 0.2 . 1 . . . . . . . . 6229 1 457 . 1 1 135 135 MET H H 1 7.598 0.01 . 1 . . . . . . . . 6229 1 458 . 1 1 135 135 MET CA C 13 59.484 0.2 . 1 . . . . . . . . 6229 1 459 . 1 1 135 135 MET C C 13 178.28 0.2 . 1 . . . . . . . . 6229 1 460 . 1 1 135 135 MET CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 461 . 1 1 135 135 MET N N 15 118.87 0.2 . 1 . . . . . . . . 6229 1 462 . 1 1 136 136 ILE H H 1 6.989 0.01 . 1 . . . . . . . . 6229 1 463 . 1 1 136 136 ILE CA C 13 64.884 0.2 . 1 . . . . . . . . 6229 1 464 . 1 1 136 136 ILE C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 465 . 1 1 136 136 ILE CB C 13 37.684 0.2 . 1 . . . . . . . . 6229 1 466 . 1 1 136 136 ILE N N 15 120.737 0.2 . 1 . . . . . . . . 6229 1 467 . 1 1 137 137 LEU H H 1 7.845 0.01 . 1 . . . . . . . . 6229 1 468 . 1 1 137 137 LEU CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 469 . 1 1 137 137 LEU C C 13 177.38 0.2 . 1 . . . . . . . . 6229 1 470 . 1 1 137 137 LEU CB C 13 41.684 0.2 . 1 . . . . . . . . 6229 1 471 . 1 1 137 137 LEU N N 15 117.928 0.2 . 1 . . . . . . . . 6229 1 472 . 1 1 138 138 ARG H H 1 8.768 0.01 . 1 . . . . . . . . 6229 1 473 . 1 1 138 138 ARG CA C 13 59.384 0.2 . 1 . . . . . . . . 6229 1 474 . 1 1 138 138 ARG C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 475 . 1 1 138 138 ARG CB C 13 29.284 0.2 . 1 . . . . . . . . 6229 1 476 . 1 1 138 138 ARG N N 15 118.178 0.2 . 1 . . . . . . . . 6229 1 477 . 1 1 139 139 LYS H H 1 7.079 0.01 . 1 . . . . . . . . 6229 1 478 . 1 1 139 139 LYS CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 479 . 1 1 139 139 LYS C C 13 176.98 0.2 . 1 . . . . . . . . 6229 1 480 . 1 1 139 139 LYS CB C 13 30.984 0.2 . 1 . . . . . . . . 6229 1 481 . 1 1 139 139 LYS N N 15 120.827 0.2 . 1 . . . . . . . . 6229 1 482 . 1 1 140 140 LEU H H 1 7.637 0.01 . 1 . . . . . . . . 6229 1 483 . 1 1 140 140 LEU CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 484 . 1 1 140 140 LEU C C 13 178.88 0.2 . 1 . . . . . . . . 6229 1 485 . 1 1 140 140 LEU CB C 13 41.384 0.2 . 1 . . . . . . . . 6229 1 486 . 1 1 140 140 LEU N N 15 118.031 0.2 . 1 . . . . . . . . 6229 1 487 . 1 1 141 141 VAL H H 1 8.3 0.01 . 1 . . . . . . . . 6229 1 488 . 1 1 141 141 VAL CA C 13 60.984 0.2 . 1 . . . . . . . . 6229 1 489 . 1 1 141 141 VAL C C 13 178.78 0.2 . 1 . . . . . . . . 6229 1 490 . 1 1 141 141 VAL CB C 13 30.784 0.2 . 1 . . . . . . . . 6229 1 491 . 1 1 141 141 VAL N N 15 116.564 0.2 . 1 . . . . . . . . 6229 1 492 . 1 1 142 142 GLU H H 1 8.996 0.01 . 1 . . . . . . . . 6229 1 493 . 1 1 142 142 GLU CA C 13 58.884 0.2 . 1 . . . . . . . . 6229 1 494 . 1 1 142 142 GLU C C 13 179.28 0.2 . 1 . . . . . . . . 6229 1 495 . 1 1 142 142 GLU CB C 13 28.184 0.2 . 1 . . . . . . . . 6229 1 496 . 1 1 142 142 GLU N N 15 126.65 0.2 . 1 . . . . . . . . 6229 1 497 . 1 1 143 143 ASP H H 1 8.734 0.01 . 1 . . . . . . . . 6229 1 498 . 1 1 143 143 ASP CA C 13 57.384 0.2 . 1 . . . . . . . . 6229 1 499 . 1 1 143 143 ASP C C 13 179.68 0.2 . 1 . . . . . . . . 6229 1 500 . 1 1 143 143 ASP CB C 13 39.084 0.2 . 1 . . . . . . . . 6229 1 501 . 1 1 143 143 ASP N N 15 122.853 0.2 . 1 . . . . . . . . 6229 1 502 . 1 1 144 144 ALA H H 1 8.409 0.01 . 1 . . . . . . . . 6229 1 503 . 1 1 144 144 ALA CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 504 . 1 1 144 144 ALA C C 13 178.88 0.2 . 1 . . . . . . . . 6229 1 505 . 1 1 144 144 ALA CB C 13 18.384 0.2 . 1 . . . . . . . . 6229 1 506 . 1 1 144 144 ALA N N 15 124.301 0.2 . 1 . . . . . . . . 6229 1 507 . 1 1 145 145 SER H H 1 8.437 0.01 . 1 . . . . . . . . 6229 1 508 . 1 1 145 145 SER CA C 13 62.184 0.2 . 1 . . . . . . . . 6229 1 509 . 1 1 145 145 SER C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 510 . 1 1 145 145 SER CB C 13 62.884 0.2 . 1 . . . . . . . . 6229 1 511 . 1 1 145 145 SER N N 15 116.457 0.2 . 1 . . . . . . . . 6229 1 512 . 1 1 146 146 LYS H H 1 7.661 0.01 . 1 . . . . . . . . 6229 1 513 . 1 1 146 146 LYS CA C 13 58.484 0.2 . 1 . . . . . . . . 6229 1 514 . 1 1 146 146 LYS C C 13 178.18 0.2 . 1 . . . . . . . . 6229 1 515 . 1 1 146 146 LYS CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 516 . 1 1 146 146 LYS N N 15 123.143 0.2 . 1 . . . . . . . . 6229 1 517 . 1 1 147 147 LYS H H 1 7.366 0.01 . 1 . . . . . . . . 6229 1 518 . 1 1 147 147 LYS CA C 13 57.384 0.2 . 1 . . . . . . . . 6229 1 519 . 1 1 147 147 LYS C C 13 177.88 0.2 . 1 . . . . . . . . 6229 1 520 . 1 1 147 147 LYS CB C 13 31.284 0.2 . 1 . . . . . . . . 6229 1 521 . 1 1 147 147 LYS N N 15 119.476 0.2 . 1 . . . . . . . . 6229 1 522 . 1 1 148 148 LEU H H 1 8.178 0.01 . 1 . . . . . . . . 6229 1 523 . 1 1 148 148 LEU CA C 13 55.184 0.2 . 1 . . . . . . . . 6229 1 524 . 1 1 148 148 LEU C C 13 177.58 0.2 . 1 . . . . . . . . 6229 1 525 . 1 1 148 148 LEU CB C 13 42.084 0.2 . 1 . . . . . . . . 6229 1 526 . 1 1 148 148 LEU N N 15 117.564 0.2 . 1 . . . . . . . . 6229 1 527 . 1 1 149 149 GLY H H 1 7.976 0.01 . 1 . . . . . . . . 6229 1 528 . 1 1 149 149 GLY CA C 13 45.484 0.2 . 1 . . . . . . . . 6229 1 529 . 1 1 149 149 GLY C C 13 172.58 0.2 . 1 . . . . . . . . 6229 1 530 . 1 1 149 149 GLY N N 15 107.916 0.2 . 1 . . . . . . . . 6229 1 531 . 1 1 150 150 GLU H H 1 7.341 0.01 . 1 . . . . . . . . 6229 1 532 . 1 1 150 150 GLU CA C 13 53.884 0.2 . 1 . . . . . . . . 6229 1 533 . 1 1 150 150 GLU C C 13 173.08 0.2 . 1 . . . . . . . . 6229 1 534 . 1 1 150 150 GLU CB C 13 32.384 0.2 . 1 . . . . . . . . 6229 1 535 . 1 1 150 150 GLU N N 15 117.882 0.2 . 1 . . . . . . . . 6229 1 536 . 1 1 151 151 LYS H H 1 8.193 0.01 . 1 . . . . . . . . 6229 1 537 . 1 1 151 151 LYS CA C 13 56.184 0.2 . 1 . . . . . . . . 6229 1 538 . 1 1 151 151 LYS C C 13 175.58 0.2 . 1 . . . . . . . . 6229 1 539 . 1 1 151 151 LYS CB C 13 31.484 0.2 . 1 . . . . . . . . 6229 1 540 . 1 1 151 151 LYS N N 15 121.908 0.2 . 1 . . . . . . . . 6229 1 541 . 1 1 152 152 ILE H H 1 7.956 0.01 . 1 . . . . . . . . 6229 1 542 . 1 1 152 152 ILE CA C 13 60.484 0.2 . 1 . . . . . . . . 6229 1 543 . 1 1 152 152 ILE C C 13 174.98 0.2 . 1 . . . . . . . . 6229 1 544 . 1 1 152 152 ILE CB C 13 37.484 0.2 . 1 . . . . . . . . 6229 1 545 . 1 1 152 152 ILE N N 15 128.895 0.2 . 1 . . . . . . . . 6229 1 546 . 1 1 153 153 THR H H 1 8.459 0.01 . 1 . . . . . . . . 6229 1 547 . 1 1 153 153 THR CA C 13 61.884 0.2 . 1 . . . . . . . . 6229 1 548 . 1 1 153 153 THR C C 13 173.48 0.2 . 1 . . . . . . . . 6229 1 549 . 1 1 153 153 THR CB C 13 70.084 0.2 . 1 . . . . . . . . 6229 1 550 . 1 1 153 153 THR N N 15 115.199 0.2 . 1 . . . . . . . . 6229 1 551 . 1 1 154 154 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 6229 1 552 . 1 1 154 154 LYS CA C 13 55.084 0.2 . 1 . . . . . . . . 6229 1 553 . 1 1 154 154 LYS C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 554 . 1 1 154 154 LYS CB C 13 35.684 0.2 . 1 . . . . . . . . 6229 1 555 . 1 1 154 154 LYS N N 15 122.979 0.2 . 1 . . . . . . . . 6229 1 556 . 1 1 155 155 ALA H H 1 8.345 0.01 . 1 . . . . . . . . 6229 1 557 . 1 1 155 155 ALA CA C 13 50.884 0.2 . 1 . . . . . . . . 6229 1 558 . 1 1 155 155 ALA C C 13 175.98 0.2 . 1 . . . . . . . . 6229 1 559 . 1 1 155 155 ALA CB C 13 23.684 0.2 . 1 . . . . . . . . 6229 1 560 . 1 1 155 155 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 6229 1 561 . 1 1 156 156 VAL H H 1 8.439 0.01 . 1 . . . . . . . . 6229 1 562 . 1 1 156 156 VAL CA C 13 61.584 0.2 . 1 . . . . . . . . 6229 1 563 . 1 1 156 156 VAL C C 13 173.78 0.2 . 1 . . . . . . . . 6229 1 564 . 1 1 156 156 VAL CB C 13 32.784 0.2 . 1 . . . . . . . . 6229 1 565 . 1 1 156 156 VAL N N 15 122.426 0.2 . 1 . . . . . . . . 6229 1 566 . 1 1 157 157 ILE H H 1 7.333 0.01 . 1 . . . . . . . . 6229 1 567 . 1 1 157 157 ILE CA C 13 58.984 0.2 . 1 . . . . . . . . 6229 1 568 . 1 1 157 157 ILE C C 13 173.78 0.2 . 1 . . . . . . . . 6229 1 569 . 1 1 157 157 ILE CB C 13 40.484 0.2 . 1 . . . . . . . . 6229 1 570 . 1 1 157 157 ILE N N 15 126.354 0.2 . 1 . . . . . . . . 6229 1 571 . 1 1 158 158 THR H H 1 7.921 0.01 . 1 . . . . . . . . 6229 1 572 . 1 1 158 158 THR CA C 13 59.584 0.2 . 1 . . . . . . . . 6229 1 573 . 1 1 158 158 THR C C 13 173.58 0.2 . 1 . . . . . . . . 6229 1 574 . 1 1 158 158 THR CB C 13 69.184 0.2 . 1 . . . . . . . . 6229 1 575 . 1 1 158 158 THR N N 15 116.829 0.2 . 1 . . . . . . . . 6229 1 576 . 1 1 159 159 VAL H H 1 7.944 0.01 . 1 . . . . . . . . 6229 1 577 . 1 1 159 159 VAL CA C 13 57.484 0.2 . 1 . . . . . . . . 6229 1 578 . 1 1 159 159 VAL C C 13 172.98 0.2 . 1 . . . . . . . . 6229 1 579 . 1 1 159 159 VAL CB C 13 32.784 0.2 . 1 . . . . . . . . 6229 1 580 . 1 1 159 159 VAL N N 15 109.359 0.2 . 1 . . . . . . . . 6229 1 581 . 1 1 160 160 PRO CA C 13 62.384 0.2 . 1 . . . . . . . . 6229 1 582 . 1 1 161 161 ALA H H 1 10.295 0.01 . 1 . . . . . . . . 6229 1 583 . 1 1 161 161 ALA CA C 13 54.184 0.2 . 1 . . . . . . . . 6229 1 584 . 1 1 161 161 ALA C C 13 178.78 0.2 . 1 . . . . . . . . 6229 1 585 . 1 1 161 161 ALA CB C 13 17.984 0.2 . 1 . . . . . . . . 6229 1 586 . 1 1 161 161 ALA N N 15 124.767 0.2 . 1 . . . . . . . . 6229 1 587 . 1 1 162 162 TYR H H 1 10.071 0.01 . 1 . . . . . . . . 6229 1 588 . 1 1 162 162 TYR CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 589 . 1 1 162 162 TYR C C 13 175.18 0.2 . 1 . . . . . . . . 6229 1 590 . 1 1 162 162 TYR N N 15 118.757 0.2 . 1 . . . . . . . . 6229 1 591 . 1 1 163 163 PHE H H 1 8.023 0.01 . 1 . . . . . . . . 6229 1 592 . 1 1 163 163 PHE CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 593 . 1 1 163 163 PHE C C 13 172.48 0.2 . 1 . . . . . . . . 6229 1 594 . 1 1 163 163 PHE CB C 13 37.684 0.2 . 1 . . . . . . . . 6229 1 595 . 1 1 163 163 PHE N N 15 120.02 0.2 . 1 . . . . . . . . 6229 1 596 . 1 1 164 164 ASN H H 1 6.963 0.01 . 1 . . . . . . . . 6229 1 597 . 1 1 164 164 ASN CA C 13 57.884 0.2 . 1 . . . . . . . . 6229 1 598 . 1 1 164 164 ASN C C 13 175.38 0.2 . 1 . . . . . . . . 6229 1 599 . 1 1 164 164 ASN CB C 13 36.284 0.2 . 1 . . . . . . . . 6229 1 600 . 1 1 164 164 ASN N N 15 109.423 0.2 . 1 . . . . . . . . 6229 1 601 . 1 1 165 165 ASN CA C 13 57.284 0.2 . 1 . . . . . . . . 6229 1 602 . 1 1 165 165 ASN C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 603 . 1 1 165 165 ASN CB C 13 37.184 0.2 . 1 . . . . . . . . 6229 1 604 . 1 1 166 166 ALA H H 1 8.029 0.01 . 1 . . . . . . . . 6229 1 605 . 1 1 166 166 ALA CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 606 . 1 1 166 166 ALA C C 13 180.98 0.2 . 1 . . . . . . . . 6229 1 607 . 1 1 166 166 ALA CB C 13 16.884 0.2 . 1 . . . . . . . . 6229 1 608 . 1 1 166 166 ALA N N 15 124.636 0.2 . 1 . . . . . . . . 6229 1 609 . 1 1 167 167 GLN H H 1 8.447 0.01 . 1 . . . . . . . . 6229 1 610 . 1 1 167 167 GLN CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 611 . 1 1 167 167 GLN C C 13 178.9 0.2 . 1 . . . . . . . . 6229 1 612 . 1 1 167 167 GLN CB C 13 28.584 0.2 . 1 . . . . . . . . 6229 1 613 . 1 1 167 167 GLN N N 15 120.009 0.2 . 1 . . . . . . . . 6229 1 614 . 1 1 168 168 ARG H H 1 8.424 0.01 . 1 . . . . . . . . 6229 1 615 . 1 1 168 168 ARG CA C 13 60.584 0.2 . 1 . . . . . . . . 6229 1 616 . 1 1 168 168 ARG C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 617 . 1 1 168 168 ARG CB C 13 28.784 0.2 . 1 . . . . . . . . 6229 1 618 . 1 1 168 168 ARG N N 15 123.269 0.2 . 1 . . . . . . . . 6229 1 619 . 1 1 169 169 GLU H H 1 8.669 0.01 . 1 . . . . . . . . 6229 1 620 . 1 1 169 169 GLU CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 621 . 1 1 169 169 GLU C C 13 178.38 0.2 . 1 . . . . . . . . 6229 1 622 . 1 1 169 169 GLU CB C 13 28.184 0.2 . 1 . . . . . . . . 6229 1 623 . 1 1 169 169 GLU N N 15 121.841 0.2 . 1 . . . . . . . . 6229 1 624 . 1 1 170 170 ALA H H 1 8.143 0.01 . 1 . . . . . . . . 6229 1 625 . 1 1 170 170 ALA CA C 13 54.684 0.2 . 1 . . . . . . . . 6229 1 626 . 1 1 170 170 ALA C C 13 178.38 0.2 . 1 . . . . . . . . 6229 1 627 . 1 1 170 170 ALA CB C 13 18.984 0.2 . 1 . . . . . . . . 6229 1 628 . 1 1 170 170 ALA N N 15 122.023 0.2 . 1 . . . . . . . . 6229 1 629 . 1 1 171 171 THR H H 1 7.518 0.01 . 1 . . . . . . . . 6229 1 630 . 1 1 171 171 THR CA C 13 64.684 0.2 . 1 . . . . . . . . 6229 1 631 . 1 1 171 171 THR C C 13 180.18 0.2 . 1 . . . . . . . . 6229 1 632 . 1 1 171 171 THR CB C 13 67.884 0.2 . 1 . . . . . . . . 6229 1 633 . 1 1 171 171 THR N N 15 116.747 0.2 . 1 . . . . . . . . 6229 1 634 . 1 1 172 172 ALA H H 1 8.182 0.01 . 1 . . . . . . . . 6229 1 635 . 1 1 172 172 ALA CA C 13 55.284 0.2 . 1 . . . . . . . . 6229 1 636 . 1 1 172 172 ALA C C 13 179.58 0.2 . 1 . . . . . . . . 6229 1 637 . 1 1 172 172 ALA CB C 13 16.184 0.2 . 1 . . . . . . . . 6229 1 638 . 1 1 172 172 ALA N N 15 125.056 0.2 . 1 . . . . . . . . 6229 1 639 . 1 1 173 173 ASN H H 1 8.749 0.01 . 1 . . . . . . . . 6229 1 640 . 1 1 173 173 ASN CA C 13 55.684 0.2 . 1 . . . . . . . . 6229 1 641 . 1 1 173 173 ASN C C 13 176.98 0.2 . 1 . . . . . . . . 6229 1 642 . 1 1 173 173 ASN CB C 13 36.884 0.2 . 1 . . . . . . . . 6229 1 643 . 1 1 173 173 ASN N N 15 119.192 0.2 . 1 . . . . . . . . 6229 1 644 . 1 1 174 174 ALA H H 1 8.166 0.01 . 1 . . . . . . . . 6229 1 645 . 1 1 174 174 ALA CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 646 . 1 1 174 174 ALA C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 647 . 1 1 174 174 ALA CB C 13 17.784 0.2 . 1 . . . . . . . . 6229 1 648 . 1 1 174 174 ALA N N 15 124.239 0.2 . 1 . . . . . . . . 6229 1 649 . 1 1 175 175 GLY H H 1 7.611 0.01 . 1 . . . . . . . . 6229 1 650 . 1 1 175 175 GLY CA C 13 47.084 0.2 . 1 . . . . . . . . 6229 1 651 . 1 1 175 175 GLY C C 13 173.58 0.2 . 1 . . . . . . . . 6229 1 652 . 1 1 175 175 GLY N N 15 104.055 0.2 . 1 . . . . . . . . 6229 1 653 . 1 1 176 176 ARG H H 1 8.141 0.01 . 1 . . . . . . . . 6229 1 654 . 1 1 176 176 ARG CA C 13 59.284 0.2 . 1 . . . . . . . . 6229 1 655 . 1 1 176 176 ARG C C 13 181.18 0.2 . 1 . . . . . . . . 6229 1 656 . 1 1 176 176 ARG CB C 13 28.984 0.2 . 1 . . . . . . . . 6229 1 657 . 1 1 176 176 ARG N N 15 124.311 0.2 . 1 . . . . . . . . 6229 1 658 . 1 1 177 177 ILE H H 1 8.809 0.01 . 1 . . . . . . . . 6229 1 659 . 1 1 177 177 ILE CA C 13 64.984 0.2 . 1 . . . . . . . . 6229 1 660 . 1 1 177 177 ILE C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 661 . 1 1 177 177 ILE CB C 13 37.284 0.2 . 1 . . . . . . . . 6229 1 662 . 1 1 177 177 ILE N N 15 124.736 0.2 . 1 . . . . . . . . 6229 1 663 . 1 1 178 178 ALA H H 1 7.546 0.01 . 1 . . . . . . . . 6229 1 664 . 1 1 178 178 ALA CA C 13 52.284 0.2 . 1 . . . . . . . . 6229 1 665 . 1 1 178 178 ALA C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 666 . 1 1 178 178 ALA CB C 13 18.484 0.2 . 1 . . . . . . . . 6229 1 667 . 1 1 178 178 ALA N N 15 121.781 0.2 . 1 . . . . . . . . 6229 1 668 . 1 1 179 179 GLY H H 1 7.762 0.01 . 1 . . . . . . . . 6229 1 669 . 1 1 179 179 GLY CA C 13 44.784 0.2 . 1 . . . . . . . . 6229 1 670 . 1 1 179 179 GLY C C 13 173.98 0.2 . 1 . . . . . . . . 6229 1 671 . 1 1 179 179 GLY N N 15 106.097 0.2 . 1 . . . . . . . . 6229 1 672 . 1 1 180 180 LEU H H 1 8.053 0.01 . 1 . . . . . . . . 6229 1 673 . 1 1 180 180 LEU CA C 13 52.884 0.2 . 1 . . . . . . . . 6229 1 674 . 1 1 180 180 LEU C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 675 . 1 1 180 180 LEU CB C 13 42.284 0.2 . 1 . . . . . . . . 6229 1 676 . 1 1 180 180 LEU N N 15 120.794 0.2 . 1 . . . . . . . . 6229 1 677 . 1 1 181 181 GLU H H 1 8.57 0.01 . 1 . . . . . . . . 6229 1 678 . 1 1 181 181 GLU CA C 13 55.284 0.2 . 1 . . . . . . . . 6229 1 679 . 1 1 181 181 GLU C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 680 . 1 1 181 181 GLU CB C 13 28.884 0.2 . 1 . . . . . . . . 6229 1 681 . 1 1 181 181 GLU N N 15 123.295 0.2 . 1 . . . . . . . . 6229 1 682 . 1 1 182 182 VAL H H 1 8.245 0.01 . 1 . . . . . . . . 6229 1 683 . 1 1 182 182 VAL CA C 13 61.384 0.2 . 1 . . . . . . . . 6229 1 684 . 1 1 182 182 VAL C C 13 175.68 0.2 . 1 . . . . . . . . 6229 1 685 . 1 1 182 182 VAL CB C 13 29.684 0.2 . 1 . . . . . . . . 6229 1 686 . 1 1 182 182 VAL N N 15 128.996 0.2 . 1 . . . . . . . . 6229 1 687 . 1 1 183 183 LEU H H 1 8.897 0.01 . 1 . . . . . . . . 6229 1 688 . 1 1 183 183 LEU CA C 13 56.384 0.2 . 1 . . . . . . . . 6229 1 689 . 1 1 183 183 LEU C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 690 . 1 1 183 183 LEU CB C 13 42.284 0.2 . 1 . . . . . . . . 6229 1 691 . 1 1 183 183 LEU N N 15 130.485 0.2 . 1 . . . . . . . . 6229 1 692 . 1 1 184 184 ARG H H 1 7.017 0.01 . 1 . . . . . . . . 6229 1 693 . 1 1 184 184 ARG CA C 13 54.584 0.2 . 1 . . . . . . . . 6229 1 694 . 1 1 184 184 ARG C C 13 172.48 0.2 . 1 . . . . . . . . 6229 1 695 . 1 1 184 184 ARG CB C 13 33.284 0.2 . 1 . . . . . . . . 6229 1 696 . 1 1 184 184 ARG N N 15 113.853 0.2 . 1 . . . . . . . . 6229 1 697 . 1 1 185 185 ILE H H 1 8.117 0.01 . 1 . . . . . . . . 6229 1 698 . 1 1 185 185 ILE C C 13 176.48 0.2 . 1 . . . . . . . . 6229 1 699 . 1 1 185 185 ILE CB C 13 36.284 0.2 . 1 . . . . . . . . 6229 1 700 . 1 1 185 185 ILE N N 15 125.663 0.2 . 1 . . . . . . . . 6229 1 701 . 1 1 186 186 ILE H H 1 7.693 0.01 . 1 . . . . . . . . 6229 1 702 . 1 1 186 186 ILE CA C 13 57.584 0.2 . 1 . . . . . . . . 6229 1 703 . 1 1 186 186 ILE C C 13 173.48 0.2 . 1 . . . . . . . . 6229 1 704 . 1 1 186 186 ILE CB C 13 40.384 0.2 . 1 . . . . . . . . 6229 1 705 . 1 1 186 186 ILE N N 15 120.06 0.2 . 1 . . . . . . . . 6229 1 706 . 1 1 187 187 ASN H H 1 8.369 0.01 . 1 . . . . . . . . 6229 1 707 . 1 1 187 187 ASN CA C 13 51.384 0.2 . 1 . . . . . . . . 6229 1 708 . 1 1 187 187 ASN C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 709 . 1 1 187 187 ASN CB C 13 38.084 0.2 . 1 . . . . . . . . 6229 1 710 . 1 1 187 187 ASN N N 15 118.531 0.2 . 1 . . . . . . . . 6229 1 711 . 1 1 188 188 GLU H H 1 8.965 0.01 . 1 . . . . . . . . 6229 1 712 . 1 1 188 188 GLU CA C 13 60.884 0.2 . 1 . . . . . . . . 6229 1 713 . 1 1 188 188 GLU C C 13 174.98 0.2 . 1 . . . . . . . . 6229 1 714 . 1 1 188 188 GLU CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 715 . 1 1 188 188 GLU N N 15 123.523 0.2 . 1 . . . . . . . . 6229 1 716 . 1 1 189 189 PRO C C 13 173.18 0.2 . 1 . . . . . . . . 6229 1 717 . 1 1 190 190 THR H H 1 6.611 0.01 . 1 . . . . . . . . 6229 1 718 . 1 1 190 190 THR CA C 13 60.984 0.2 . 1 . . . . . . . . 6229 1 719 . 1 1 190 190 THR C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 720 . 1 1 190 190 THR CB C 13 66.884 0.2 . 1 . . . . . . . . 6229 1 721 . 1 1 190 190 THR N N 15 115.355 0.2 . 1 . . . . . . . . 6229 1 722 . 1 1 191 191 ALA H H 1 7.867 0.01 . 1 . . . . . . . . 6229 1 723 . 1 1 191 191 ALA CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 724 . 1 1 191 191 ALA C C 13 178.68 0.2 . 1 . . . . . . . . 6229 1 725 . 1 1 191 191 ALA CB C 13 17.884 0.2 . 1 . . . . . . . . 6229 1 726 . 1 1 191 191 ALA N N 15 124.586 0.2 . 1 . . . . . . . . 6229 1 727 . 1 1 192 192 ALA H H 1 8.148 0.01 . 1 . . . . . . . . 6229 1 728 . 1 1 192 192 ALA CA C 13 54.384 0.2 . 1 . . . . . . . . 6229 1 729 . 1 1 192 192 ALA C C 13 177.68 0.2 . 1 . . . . . . . . 6229 1 730 . 1 1 192 192 ALA CB C 13 17.184 0.2 . 1 . . . . . . . . 6229 1 731 . 1 1 192 192 ALA N N 15 119.298 0.2 . 1 . . . . . . . . 6229 1 732 . 1 1 193 193 ALA H H 1 7.688 0.01 . 1 . . . . . . . . 6229 1 733 . 1 1 193 193 ALA CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 734 . 1 1 193 193 ALA C C 13 178.78 0.2 . 1 . . . . . . . . 6229 1 735 . 1 1 193 193 ALA CB C 13 17.284 0.2 . 1 . . . . . . . . 6229 1 736 . 1 1 193 193 ALA N N 15 119.482 0.2 . 1 . . . . . . . . 6229 1 737 . 1 1 194 194 LEU H H 1 8.13 0.01 . 1 . . . . . . . . 6229 1 738 . 1 1 194 194 LEU CA C 13 57.584 0.2 . 1 . . . . . . . . 6229 1 739 . 1 1 194 194 LEU C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 740 . 1 1 194 194 LEU CB C 13 40.784 0.2 . 1 . . . . . . . . 6229 1 741 . 1 1 194 194 LEU N N 15 119.752 0.2 . 1 . . . . . . . . 6229 1 742 . 1 1 195 195 ALA H H 1 7.884 0.01 . 1 . . . . . . . . 6229 1 743 . 1 1 195 195 ALA CA C 13 54.684 0.2 . 1 . . . . . . . . 6229 1 744 . 1 1 195 195 ALA C C 13 178.38 0.2 . 1 . . . . . . . . 6229 1 745 . 1 1 195 195 ALA CB C 13 18.684 0.2 . 1 . . . . . . . . 6229 1 746 . 1 1 195 195 ALA N N 15 123.697 0.2 . 1 . . . . . . . . 6229 1 747 . 1 1 196 196 TYR H H 1 7.47 0.01 . 1 . . . . . . . . 6229 1 748 . 1 1 196 196 TYR CA C 13 59.984 0.2 . 1 . . . . . . . . 6229 1 749 . 1 1 196 196 TYR C C 13 175.28 0.2 . 1 . . . . . . . . 6229 1 750 . 1 1 196 196 TYR CB C 13 38.584 0.2 . 1 . . . . . . . . 6229 1 751 . 1 1 196 196 TYR N N 15 115.511 0.2 . 1 . . . . . . . . 6229 1 752 . 1 1 197 197 GLY H H 1 7.987 0.01 . 1 . . . . . . . . 6229 1 753 . 1 1 197 197 GLY CA C 13 45.784 0.2 . 1 . . . . . . . . 6229 1 754 . 1 1 197 197 GLY C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 755 . 1 1 197 197 GLY N N 15 109.927 0.2 . 1 . . . . . . . . 6229 1 756 . 1 1 198 198 LEU H H 1 8.036 0.01 . 1 . . . . . . . . 6229 1 757 . 1 1 198 198 LEU CA C 13 56.484 0.2 . 1 . . . . . . . . 6229 1 758 . 1 1 198 198 LEU C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 759 . 1 1 198 198 LEU CB C 13 39.584 0.2 . 1 . . . . . . . . 6229 1 760 . 1 1 198 198 LEU N N 15 118.005 0.2 . 1 . . . . . . . . 6229 1 761 . 1 1 199 199 ASP H H 1 9.757 0.01 . 1 . . . . . . . . 6229 1 762 . 1 1 199 199 ASP CA C 13 54.784 0.2 . 1 . . . . . . . . 6229 1 763 . 1 1 199 199 ASP C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 764 . 1 1 199 199 ASP CB C 13 38.184 0.2 . 1 . . . . . . . . 6229 1 765 . 1 1 199 199 ASP N N 15 115.449 0.2 . 1 . . . . . . . . 6229 1 766 . 1 1 200 200 LYS H H 1 7.165 0.01 . 1 . . . . . . . . 6229 1 767 . 1 1 200 200 LYS CA C 13 55.184 0.2 . 1 . . . . . . . . 6229 1 768 . 1 1 200 200 LYS C C 13 176.28 0.2 . 1 . . . . . . . . 6229 1 769 . 1 1 200 200 LYS CB C 13 31.284 0.2 . 1 . . . . . . . . 6229 1 770 . 1 1 200 200 LYS N N 15 118.454 0.2 . 1 . . . . . . . . 6229 1 771 . 1 1 201 201 LYS H H 1 7.2 0.01 . 1 . . . . . . . . 6229 1 772 . 1 1 201 201 LYS CA C 13 55.884 0.2 . 1 . . . . . . . . 6229 1 773 . 1 1 201 201 LYS C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 774 . 1 1 201 201 LYS CB C 13 31.884 0.2 . 1 . . . . . . . . 6229 1 775 . 1 1 201 201 LYS N N 15 120.314 0.2 . 1 . . . . . . . . 6229 1 776 . 1 1 202 202 GLY H H 1 7.709 0.01 . 1 . . . . . . . . 6229 1 777 . 1 1 202 202 GLY CA C 13 44.584 0.2 . 1 . . . . . . . . 6229 1 778 . 1 1 202 202 GLY C C 13 172.28 0.2 . 1 . . . . . . . . 6229 1 779 . 1 1 202 202 GLY N N 15 107.912 0.2 . 1 . . . . . . . . 6229 1 780 . 1 1 203 203 ASN H H 1 7.96 0.01 . 1 . . . . . . . . 6229 1 781 . 1 1 203 203 ASN CA C 13 53.084 0.2 . 1 . . . . . . . . 6229 1 782 . 1 1 203 203 ASN C C 13 174.58 0.2 . 1 . . . . . . . . 6229 1 783 . 1 1 203 203 ASN CB C 13 38.184 0.2 . 1 . . . . . . . . 6229 1 784 . 1 1 203 203 ASN N N 15 119.743 0.2 . 1 . . . . . . . . 6229 1 785 . 1 1 204 204 GLU H H 1 8.222 0.01 . 1 . . . . . . . . 6229 1 786 . 1 1 204 204 GLU CA C 13 55.084 0.2 . 1 . . . . . . . . 6229 1 787 . 1 1 204 204 GLU C C 13 173.68 0.2 . 1 . . . . . . . . 6229 1 788 . 1 1 204 204 GLU CB C 13 32.084 0.2 . 1 . . . . . . . . 6229 1 789 . 1 1 204 204 GLU N N 15 120.513 0.2 . 1 . . . . . . . . 6229 1 790 . 1 1 205 205 THR H H 1 9.672 0.01 . 1 . . . . . . . . 6229 1 791 . 1 1 205 205 THR CA C 13 61.884 0.2 . 1 . . . . . . . . 6229 1 792 . 1 1 205 205 THR C C 13 173.78 0.2 . 1 . . . . . . . . 6229 1 793 . 1 1 205 205 THR CB C 13 68.684 0.2 . 1 . . . . . . . . 6229 1 794 . 1 1 205 205 THR N N 15 120.196 0.2 . 1 . . . . . . . . 6229 1 795 . 1 1 206 206 VAL H H 1 9.211 0.01 . 1 . . . . . . . . 6229 1 796 . 1 1 206 206 VAL CA C 13 58.784 0.2 . 1 . . . . . . . . 6229 1 797 . 1 1 206 206 VAL C C 13 172.88 0.2 . 1 . . . . . . . . 6229 1 798 . 1 1 206 206 VAL CB C 13 34.984 0.2 . 1 . . . . . . . . 6229 1 799 . 1 1 206 206 VAL N N 15 125.674 0.2 . 1 . . . . . . . . 6229 1 800 . 1 1 207 207 LEU H H 1 8.397 0.01 . 1 . . . . . . . . 6229 1 801 . 1 1 207 207 LEU CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 802 . 1 1 207 207 LEU C C 13 173.38 0.2 . 1 . . . . . . . . 6229 1 803 . 1 1 207 207 LEU CB C 13 44.284 0.2 . 1 . . . . . . . . 6229 1 804 . 1 1 207 207 LEU N N 15 128.231 0.2 . 1 . . . . . . . . 6229 1 805 . 1 1 208 208 VAL H H 1 9.61 0.01 . 1 . . . . . . . . 6229 1 806 . 1 1 208 208 VAL CA C 13 61.684 0.2 . 1 . . . . . . . . 6229 1 807 . 1 1 208 208 VAL C C 13 172.68 0.2 . 1 . . . . . . . . 6229 1 808 . 1 1 208 208 VAL CB C 13 30.484 0.2 . 1 . . . . . . . . 6229 1 809 . 1 1 208 208 VAL N N 15 129.758 0.2 . 1 . . . . . . . . 6229 1 810 . 1 1 209 209 PHE H H 1 8.741 0.01 . 1 . . . . . . . . 6229 1 811 . 1 1 209 209 PHE CA C 13 57.084 0.2 . 1 . . . . . . . . 6229 1 812 . 1 1 209 209 PHE C C 13 171.58 0.2 . 1 . . . . . . . . 6229 1 813 . 1 1 209 209 PHE CB C 13 39.984 0.2 . 1 . . . . . . . . 6229 1 814 . 1 1 209 209 PHE N N 15 134.32 0.2 . 1 . . . . . . . . 6229 1 815 . 1 1 210 210 ASP H H 1 8.372 0.01 . 1 . . . . . . . . 6229 1 816 . 1 1 210 210 ASP CA C 13 51.284 0.2 . 1 . . . . . . . . 6229 1 817 . 1 1 210 210 ASP C C 13 175.18 0.2 . 1 . . . . . . . . 6229 1 818 . 1 1 210 210 ASP CB C 13 42.584 0.2 . 1 . . . . . . . . 6229 1 819 . 1 1 210 210 ASP N N 15 129.609 0.2 . 1 . . . . . . . . 6229 1 820 . 1 1 211 211 LEU H H 1 8.299 0.01 . 1 . . . . . . . . 6229 1 821 . 1 1 211 211 LEU CA C 13 53.584 0.2 . 1 . . . . . . . . 6229 1 822 . 1 1 211 211 LEU C C 13 177.38 0.2 . 1 . . . . . . . . 6229 1 823 . 1 1 211 211 LEU N N 15 127.894 0.2 . 1 . . . . . . . . 6229 1 824 . 1 1 212 212 GLY H H 1 8.283 0.01 . 1 . . . . . . . . 6229 1 825 . 1 1 212 212 GLY CA C 13 46.584 0.2 . 1 . . . . . . . . 6229 1 826 . 1 1 212 212 GLY C C 13 175.78 0.2 . 1 . . . . . . . . 6229 1 827 . 1 1 212 212 GLY N N 15 107.529 0.2 . 1 . . . . . . . . 6229 1 828 . 1 1 213 213 GLY CA C 13 44.984 0.2 . 1 . . . . . . . . 6229 1 829 . 1 1 213 213 GLY C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 830 . 1 1 214 214 GLY H H 1 8.684 0.01 . 1 . . . . . . . . 6229 1 831 . 1 1 214 214 GLY CA C 13 44.584 0.2 . 1 . . . . . . . . 6229 1 832 . 1 1 214 214 GLY C C 13 172.38 0.2 . 1 . . . . . . . . 6229 1 833 . 1 1 214 214 GLY N N 15 114.43 0.2 . 1 . . . . . . . . 6229 1 834 . 1 1 215 215 THR H H 1 6.903 0.01 . 1 . . . . . . . . 6229 1 835 . 1 1 215 215 THR CA C 13 62.484 0.2 . 1 . . . . . . . . 6229 1 836 . 1 1 215 215 THR C C 13 171.78 0.2 . 1 . . . . . . . . 6229 1 837 . 1 1 215 215 THR CB C 13 67.884 0.2 . 1 . . . . . . . . 6229 1 838 . 1 1 215 215 THR N N 15 116.443 0.2 . 1 . . . . . . . . 6229 1 839 . 1 1 216 216 PHE H H 1 9.586 0.01 . 1 . . . . . . . . 6229 1 840 . 1 1 216 216 PHE CA C 13 59.184 0.2 . 1 . . . . . . . . 6229 1 841 . 1 1 216 216 PHE C C 13 173.18 0.2 . 1 . . . . . . . . 6229 1 842 . 1 1 216 216 PHE CB C 13 34.884 0.2 . 1 . . . . . . . . 6229 1 843 . 1 1 216 216 PHE N N 15 128.728 0.2 . 1 . . . . . . . . 6229 1 844 . 1 1 217 217 ASP H H 1 6.498 0.01 . 1 . . . . . . . . 6229 1 845 . 1 1 217 217 ASP CA C 13 53.584 0.2 . 1 . . . . . . . . 6229 1 846 . 1 1 217 217 ASP C C 13 172.48 0.2 . 1 . . . . . . . . 6229 1 847 . 1 1 217 217 ASP CB C 13 41.284 0.2 . 1 . . . . . . . . 6229 1 848 . 1 1 217 217 ASP N N 15 124.089 0.2 . 1 . . . . . . . . 6229 1 849 . 1 1 218 218 VAL H H 1 8.374 0.01 . 1 . . . . . . . . 6229 1 850 . 1 1 218 218 VAL CA C 13 59.884 0.2 . 1 . . . . . . . . 6229 1 851 . 1 1 218 218 VAL C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 852 . 1 1 218 218 VAL CB C 13 31.984 0.2 . 1 . . . . . . . . 6229 1 853 . 1 1 218 218 VAL N N 15 124.373 0.2 . 1 . . . . . . . . 6229 1 854 . 1 1 219 219 THR H H 1 8.199 0.01 . 1 . . . . . . . . 6229 1 855 . 1 1 219 219 THR CA C 13 61.484 0.2 . 1 . . . . . . . . 6229 1 856 . 1 1 219 219 THR C C 13 172.98 0.2 . 1 . . . . . . . . 6229 1 857 . 1 1 219 219 THR CB C 13 70.584 0.2 . 1 . . . . . . . . 6229 1 858 . 1 1 219 219 THR N N 15 122.174 0.2 . 1 . . . . . . . . 6229 1 859 . 1 1 220 220 ILE H H 1 8.692 0.01 . 1 . . . . . . . . 6229 1 860 . 1 1 220 220 ILE CA C 13 59.484 0.2 . 1 . . . . . . . . 6229 1 861 . 1 1 220 220 ILE C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 862 . 1 1 220 220 ILE CB C 13 36.884 0.2 . 1 . . . . . . . . 6229 1 863 . 1 1 220 220 ILE N N 15 127.454 0.2 . 1 . . . . . . . . 6229 1 864 . 1 1 221 221 LEU H H 1 9.338 0.01 . 1 . . . . . . . . 6229 1 865 . 1 1 221 221 LEU CA C 13 52.584 0.2 . 1 . . . . . . . . 6229 1 866 . 1 1 221 221 LEU C C 13 174.38 0.2 . 1 . . . . . . . . 6229 1 867 . 1 1 221 221 LEU CB C 13 45.284 0.2 . 1 . . . . . . . . 6229 1 868 . 1 1 221 221 LEU N N 15 130.22 0.2 . 1 . . . . . . . . 6229 1 869 . 1 1 222 222 GLU H H 1 9.144 0.01 . 1 . . . . . . . . 6229 1 870 . 1 1 222 222 GLU CA C 13 55.284 0.2 . 1 . . . . . . . . 6229 1 871 . 1 1 222 222 GLU C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 872 . 1 1 222 222 GLU CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 873 . 1 1 222 222 GLU N N 15 125.237 0.2 . 1 . . . . . . . . 6229 1 874 . 1 1 223 223 ILE H H 1 8.902 0.01 . 1 . . . . . . . . 6229 1 875 . 1 1 223 223 ILE CA C 13 59.584 0.2 . 1 . . . . . . . . 6229 1 876 . 1 1 223 223 ILE C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 877 . 1 1 223 223 ILE CB C 13 37.784 0.2 . 1 . . . . . . . . 6229 1 878 . 1 1 223 223 ILE N N 15 128.154 0.2 . 1 . . . . . . . . 6229 1 879 . 1 1 224 224 GLY H H 1 8.141 0.01 . 1 . . . . . . . . 6229 1 880 . 1 1 224 224 GLY CA C 13 44.584 0.2 . 1 . . . . . . . . 6229 1 881 . 1 1 224 224 GLY C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 882 . 1 1 224 224 GLY N N 15 115.367 0.2 . 1 . . . . . . . . 6229 1 883 . 1 1 225 225 GLU H H 1 8.72 0.01 . 1 . . . . . . . . 6229 1 884 . 1 1 225 225 GLU CA C 13 56.484 0.2 . 1 . . . . . . . . 6229 1 885 . 1 1 225 225 GLU C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 886 . 1 1 225 225 GLU CB C 13 26.984 0.2 . 1 . . . . . . . . 6229 1 887 . 1 1 225 225 GLU N N 15 124.424 0.2 . 1 . . . . . . . . 6229 1 888 . 1 1 226 226 GLY H H 1 8.313 0.01 . 1 . . . . . . . . 6229 1 889 . 1 1 226 226 GLY CA C 13 45.084 0.2 . 1 . . . . . . . . 6229 1 890 . 1 1 226 226 GLY C C 13 172.68 0.2 . 1 . . . . . . . . 6229 1 891 . 1 1 226 226 GLY N N 15 109.632 0.2 . 1 . . . . . . . . 6229 1 892 . 1 1 227 227 VAL H H 1 7.339 0.01 . 1 . . . . . . . . 6229 1 893 . 1 1 227 227 VAL CA C 13 60.484 0.2 . 1 . . . . . . . . 6229 1 894 . 1 1 227 227 VAL C C 13 174.78 0.2 . 1 . . . . . . . . 6229 1 895 . 1 1 227 227 VAL CB C 13 33.484 0.2 . 1 . . . . . . . . 6229 1 896 . 1 1 227 227 VAL N N 15 119.428 0.2 . 1 . . . . . . . . 6229 1 897 . 1 1 228 228 PHE H H 1 8.291 0.01 . 1 . . . . . . . . 6229 1 898 . 1 1 228 228 PHE CA C 13 55.584 0.2 . 1 . . . . . . . . 6229 1 899 . 1 1 228 228 PHE C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 900 . 1 1 228 228 PHE CB C 13 39.584 0.2 . 1 . . . . . . . . 6229 1 901 . 1 1 228 228 PHE N N 15 124.628 0.2 . 1 . . . . . . . . 6229 1 902 . 1 1 229 229 GLU H H 1 8.788 0.01 . 1 . . . . . . . . 6229 1 903 . 1 1 229 229 GLU CA C 13 54.784 0.2 . 1 . . . . . . . . 6229 1 904 . 1 1 229 229 GLU C C 13 175.18 0.2 . 1 . . . . . . . . 6229 1 905 . 1 1 229 229 GLU CB C 13 31.684 0.2 . 1 . . . . . . . . 6229 1 906 . 1 1 229 229 GLU N N 15 125.086 0.2 . 1 . . . . . . . . 6229 1 907 . 1 1 230 230 VAL H H 1 8.752 0.01 . 1 . . . . . . . . 6229 1 908 . 1 1 230 230 VAL CA C 13 62.984 0.2 . 1 . . . . . . . . 6229 1 909 . 1 1 230 230 VAL C C 13 175.38 0.2 . 1 . . . . . . . . 6229 1 910 . 1 1 230 230 VAL CB C 13 30.684 0.2 . 1 . . . . . . . . 6229 1 911 . 1 1 230 230 VAL N N 15 127.955 0.2 . 1 . . . . . . . . 6229 1 912 . 1 1 231 231 LYS H H 1 9.042 0.01 . 1 . . . . . . . . 6229 1 913 . 1 1 231 231 LYS CA C 13 55.084 0.2 . 1 . . . . . . . . 6229 1 914 . 1 1 231 231 LYS C C 13 176.08 0.2 . 1 . . . . . . . . 6229 1 915 . 1 1 231 231 LYS CB C 13 31.784 0.2 . 1 . . . . . . . . 6229 1 916 . 1 1 231 231 LYS N N 15 129.147 0.2 . 1 . . . . . . . . 6229 1 917 . 1 1 232 232 ALA H H 1 7.412 0.01 . 1 . . . . . . . . 6229 1 918 . 1 1 232 232 ALA CA C 13 52.284 0.2 . 1 . . . . . . . . 6229 1 919 . 1 1 232 232 ALA C C 13 175.18 0.2 . 1 . . . . . . . . 6229 1 920 . 1 1 232 232 ALA CB C 13 23.084 0.2 . 1 . . . . . . . . 6229 1 921 . 1 1 232 232 ALA N N 15 117.462 0.2 . 1 . . . . . . . . 6229 1 922 . 1 1 233 233 THR H H 1 8.296 0.01 . 1 . . . . . . . . 6229 1 923 . 1 1 233 233 THR CA C 13 59.184 0.2 . 1 . . . . . . . . 6229 1 924 . 1 1 233 233 THR C C 13 172.68 0.2 . 1 . . . . . . . . 6229 1 925 . 1 1 233 233 THR CB C 13 71.284 0.2 . 1 . . . . . . . . 6229 1 926 . 1 1 233 233 THR N N 15 112.29 0.2 . 1 . . . . . . . . 6229 1 927 . 1 1 234 234 SER H H 1 8.926 0.01 . 1 . . . . . . . . 6229 1 928 . 1 1 234 234 SER CA C 13 56.884 0.2 . 1 . . . . . . . . 6229 1 929 . 1 1 234 234 SER C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 930 . 1 1 234 234 SER CB C 13 64.684 0.2 . 1 . . . . . . . . 6229 1 931 . 1 1 234 234 SER N N 15 117.469 0.2 . 1 . . . . . . . . 6229 1 932 . 1 1 235 235 GLY H H 1 8.244 0.01 . 1 . . . . . . . . 6229 1 933 . 1 1 235 235 GLY CA C 13 45.984 0.2 . 1 . . . . . . . . 6229 1 934 . 1 1 235 235 GLY C C 13 170.08 0.2 . 1 . . . . . . . . 6229 1 935 . 1 1 235 235 GLY N N 15 110.113 0.2 . 1 . . . . . . . . 6229 1 936 . 1 1 236 236 ASP H H 1 8.967 0.01 . 1 . . . . . . . . 6229 1 937 . 1 1 236 236 ASP CA C 13 53.384 0.2 . 1 . . . . . . . . 6229 1 938 . 1 1 236 236 ASP C C 13 175.78 0.2 . 1 . . . . . . . . 6229 1 939 . 1 1 236 236 ASP CB C 13 43.984 0.2 . 1 . . . . . . . . 6229 1 940 . 1 1 236 236 ASP N N 15 120.342 0.2 . 1 . . . . . . . . 6229 1 941 . 1 1 237 237 THR H H 1 8.172 0.01 . 1 . . . . . . . . 6229 1 942 . 1 1 237 237 THR CA C 13 62.384 0.2 . 1 . . . . . . . . 6229 1 943 . 1 1 237 237 THR C C 13 173.18 0.2 . 1 . . . . . . . . 6229 1 944 . 1 1 237 237 THR CB C 13 69.284 0.2 . 1 . . . . . . . . 6229 1 945 . 1 1 237 237 THR N N 15 121.605 0.2 . 1 . . . . . . . . 6229 1 946 . 1 1 238 238 HIS H H 1 8.965 0.01 . 1 . . . . . . . . 6229 1 947 . 1 1 238 238 HIS CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 948 . 1 1 238 238 HIS C C 13 171.68 0.2 . 1 . . . . . . . . 6229 1 949 . 1 1 238 238 HIS CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 950 . 1 1 238 238 HIS N N 15 123.327 0.2 . 1 . . . . . . . . 6229 1 951 . 1 1 239 239 LEU H H 1 6.697 0.01 . 1 . . . . . . . . 6229 1 952 . 1 1 239 239 LEU CA C 13 54.584 0.2 . 1 . . . . . . . . 6229 1 953 . 1 1 239 239 LEU C C 13 171.78 0.2 . 1 . . . . . . . . 6229 1 954 . 1 1 239 239 LEU CB C 13 42.784 0.2 . 1 . . . . . . . . 6229 1 955 . 1 1 239 239 LEU N N 15 126.105 0.2 . 1 . . . . . . . . 6229 1 956 . 1 1 240 240 GLY H H 1 8.436 0.01 . 1 . . . . . . . . 6229 1 957 . 1 1 240 240 GLY CA C 13 44.284 0.2 . 1 . . . . . . . . 6229 1 958 . 1 1 240 240 GLY C C 13 174.58 0.2 . 1 . . . . . . . . 6229 1 959 . 1 1 240 240 GLY N N 15 107.799 0.2 . 1 . . . . . . . . 6229 1 960 . 1 1 241 241 GLY H H 1 10.173 0.01 . 1 . . . . . . . . 6229 1 961 . 1 1 241 241 GLY CA C 13 47.884 0.2 . 1 . . . . . . . . 6229 1 962 . 1 1 241 241 GLY N N 15 107.893 0.2 . 1 . . . . . . . . 6229 1 963 . 1 1 242 242 SER C C 13 176.18 0.2 . 1 . . . . . . . . 6229 1 964 . 1 1 243 243 ASP H H 1 7.709 0.01 . 1 . . . . . . . . 6229 1 965 . 1 1 243 243 ASP CA C 13 57.584 0.2 . 1 . . . . . . . . 6229 1 966 . 1 1 243 243 ASP C C 13 179.08 0.2 . 1 . . . . . . . . 6229 1 967 . 1 1 243 243 ASP CB C 13 41.284 0.2 . 1 . . . . . . . . 6229 1 968 . 1 1 243 243 ASP N N 15 121.82 0.2 . 1 . . . . . . . . 6229 1 969 . 1 1 244 244 MET H H 1 7.399 0.01 . 1 . . . . . . . . 6229 1 970 . 1 1 244 244 MET CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 971 . 1 1 244 244 MET C C 13 176.18 0.2 . 1 . . . . . . . . 6229 1 972 . 1 1 244 244 MET CB C 13 31.084 0.2 . 1 . . . . . . . . 6229 1 973 . 1 1 244 244 MET N N 15 119.302 0.2 . 1 . . . . . . . . 6229 1 974 . 1 1 245 245 ASP H H 1 7.416 0.01 . 1 . . . . . . . . 6229 1 975 . 1 1 245 245 ASP CA C 13 57.384 0.2 . 1 . . . . . . . . 6229 1 976 . 1 1 245 245 ASP C C 13 178.68 0.2 . 1 . . . . . . . . 6229 1 977 . 1 1 245 245 ASP CB C 13 38.784 0.2 . 1 . . . . . . . . 6229 1 978 . 1 1 245 245 ASP N N 15 121.734 0.2 . 1 . . . . . . . . 6229 1 979 . 1 1 246 246 HIS H H 1 7.925 0.01 . 1 . . . . . . . . 6229 1 980 . 1 1 246 246 HIS CA C 13 59.384 0.2 . 1 . . . . . . . . 6229 1 981 . 1 1 246 246 HIS C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 982 . 1 1 246 246 HIS CB C 13 29.984 0.2 . 1 . . . . . . . . 6229 1 983 . 1 1 246 246 HIS N N 15 118.518 0.2 . 1 . . . . . . . . 6229 1 984 . 1 1 247 247 ALA H H 1 7.668 0.01 . 1 . . . . . . . . 6229 1 985 . 1 1 247 247 ALA CA C 13 54.784 0.2 . 1 . . . . . . . . 6229 1 986 . 1 1 247 247 ALA C C 13 180.28 0.2 . 1 . . . . . . . . 6229 1 987 . 1 1 247 247 ALA CB C 13 16.884 0.2 . 1 . . . . . . . . 6229 1 988 . 1 1 247 247 ALA N N 15 123.485 0.2 . 1 . . . . . . . . 6229 1 989 . 1 1 248 248 ILE H H 1 7.468 0.01 . 1 . . . . . . . . 6229 1 990 . 1 1 248 248 ILE CA C 13 65.384 0.2 . 1 . . . . . . . . 6229 1 991 . 1 1 248 248 ILE C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 992 . 1 1 248 248 ILE CB C 13 37.384 0.2 . 1 . . . . . . . . 6229 1 993 . 1 1 248 248 ILE N N 15 119.065 0.2 . 1 . . . . . . . . 6229 1 994 . 1 1 249 249 VAL H H 1 8.488 0.01 . 1 . . . . . . . . 6229 1 995 . 1 1 249 249 VAL CA C 13 67.584 0.2 . 1 . . . . . . . . 6229 1 996 . 1 1 249 249 VAL C C 13 176.48 0.2 . 1 . . . . . . . . 6229 1 997 . 1 1 249 249 VAL CB C 13 30.984 0.2 . 1 . . . . . . . . 6229 1 998 . 1 1 249 249 VAL N N 15 121.651 0.2 . 1 . . . . . . . . 6229 1 999 . 1 1 250 250 ASN H H 1 8.699 0.01 . 1 . . . . . . . . 6229 1 1000 . 1 1 250 250 ASN CA C 13 55.984 0.2 . 1 . . . . . . . . 6229 1 1001 . 1 1 250 250 ASN C C 13 177.08 0.2 . 1 . . . . . . . . 6229 1 1002 . 1 1 250 250 ASN CB C 13 37.184 0.2 . 1 . . . . . . . . 6229 1 1003 . 1 1 250 250 ASN N N 15 117.823 0.2 . 1 . . . . . . . . 6229 1 1004 . 1 1 251 251 TRP H H 1 7.664 0.01 . 1 . . . . . . . . 6229 1 1005 . 1 1 251 251 TRP CA C 13 60.984 0.2 . 1 . . . . . . . . 6229 1 1006 . 1 1 251 251 TRP C C 13 176.68 0.2 . 1 . . . . . . . . 6229 1 1007 . 1 1 251 251 TRP CB C 13 27.984 0.2 . 1 . . . . . . . . 6229 1 1008 . 1 1 251 251 TRP N N 15 124.075 0.2 . 1 . . . . . . . . 6229 1 1009 . 1 1 252 252 LEU H H 1 8.654 0.01 . 1 . . . . . . . . 6229 1 1010 . 1 1 252 252 LEU CA C 13 57.184 0.2 . 1 . . . . . . . . 6229 1 1011 . 1 1 252 252 LEU C C 13 179.08 0.2 . 1 . . . . . . . . 6229 1 1012 . 1 1 252 252 LEU CB C 13 41.984 0.2 . 1 . . . . . . . . 6229 1 1013 . 1 1 252 252 LEU N N 15 119.72 0.2 . 1 . . . . . . . . 6229 1 1014 . 1 1 253 253 ALA H H 1 8.85 0.01 . 1 . . . . . . . . 6229 1 1015 . 1 1 253 253 ALA CA C 13 54.284 0.2 . 1 . . . . . . . . 6229 1 1016 . 1 1 253 253 ALA C C 13 180.38 0.2 . 1 . . . . . . . . 6229 1 1017 . 1 1 253 253 ALA CB C 13 16.984 0.2 . 1 . . . . . . . . 6229 1 1018 . 1 1 253 253 ALA N N 15 119.769 0.2 . 1 . . . . . . . . 6229 1 1019 . 1 1 254 254 GLU H H 1 8.446 0.01 . 1 . . . . . . . . 6229 1 1020 . 1 1 254 254 GLU CA C 13 58.984 0.2 . 1 . . . . . . . . 6229 1 1021 . 1 1 254 254 GLU C C 13 178.98 0.2 . 1 . . . . . . . . 6229 1 1022 . 1 1 254 254 GLU CB C 13 28.184 0.2 . 1 . . . . . . . . 6229 1 1023 . 1 1 254 254 GLU N N 15 123.414 0.2 . 1 . . . . . . . . 6229 1 1024 . 1 1 255 255 GLU H H 1 8.196 0.01 . 1 . . . . . . . . 6229 1 1025 . 1 1 255 255 GLU CA C 13 59.184 0.2 . 1 . . . . . . . . 6229 1 1026 . 1 1 255 255 GLU C C 13 178.18 0.2 . 1 . . . . . . . . 6229 1 1027 . 1 1 255 255 GLU CB C 13 28.184 0.2 . 1 . . . . . . . . 6229 1 1028 . 1 1 255 255 GLU N N 15 120.479 0.2 . 1 . . . . . . . . 6229 1 1029 . 1 1 256 256 PHE H H 1 8.325 0.01 . 1 . . . . . . . . 6229 1 1030 . 1 1 256 256 PHE CA C 13 61.084 0.2 . 1 . . . . . . . . 6229 1 1031 . 1 1 256 256 PHE C C 13 177.48 0.2 . 1 . . . . . . . . 6229 1 1032 . 1 1 256 256 PHE CB C 13 38.684 0.2 . 1 . . . . . . . . 6229 1 1033 . 1 1 256 256 PHE N N 15 122.28 0.2 . 1 . . . . . . . . 6229 1 1034 . 1 1 257 257 LYS H H 1 8.068 0.01 . 1 . . . . . . . . 6229 1 1035 . 1 1 257 257 LYS CA C 13 59.284 0.2 . 1 . . . . . . . . 6229 1 1036 . 1 1 257 257 LYS C C 13 173.08 0.2 . 1 . . . . . . . . 6229 1 1037 . 1 1 257 257 LYS CB C 13 31.784 0.2 . 1 . . . . . . . . 6229 1 1038 . 1 1 257 257 LYS N N 15 121.159 0.2 . 1 . . . . . . . . 6229 1 1039 . 1 1 258 258 LYS H H 1 7.867 0.01 . 1 . . . . . . . . 6229 1 1040 . 1 1 258 258 LYS CA C 13 59.284 0.2 . 1 . . . . . . . . 6229 1 1041 . 1 1 258 258 LYS C C 13 177.38 0.2 . 1 . . . . . . . . 6229 1 1042 . 1 1 258 258 LYS CB C 13 31.584 0.2 . 1 . . . . . . . . 6229 1 1043 . 1 1 258 258 LYS N N 15 121.625 0.2 . 1 . . . . . . . . 6229 1 1044 . 1 1 259 259 GLU H H 1 7.444 0.01 . 1 . . . . . . . . 6229 1 1045 . 1 1 259 259 GLU CA C 13 57.984 0.2 . 1 . . . . . . . . 6229 1 1046 . 1 1 259 259 GLU C C 13 177.18 0.2 . 1 . . . . . . . . 6229 1 1047 . 1 1 259 259 GLU CB C 13 29.784 0.2 . 1 . . . . . . . . 6229 1 1048 . 1 1 259 259 GLU N N 15 116.54 0.2 . 1 . . . . . . . . 6229 1 1049 . 1 1 260 260 HIS H H 1 7.894 0.01 . 1 . . . . . . . . 6229 1 1050 . 1 1 260 260 HIS CA C 13 55.184 0.2 . 1 . . . . . . . . 6229 1 1051 . 1 1 260 260 HIS C C 13 175.78 0.2 . 1 . . . . . . . . 6229 1 1052 . 1 1 260 260 HIS CB C 13 31.584 0.2 . 1 . . . . . . . . 6229 1 1053 . 1 1 260 260 HIS N N 15 113.358 0.2 . 1 . . . . . . . . 6229 1 1054 . 1 1 261 261 GLY H H 1 8.406 0.01 . 1 . . . . . . . . 6229 1 1055 . 1 1 261 261 GLY CA C 13 45.984 0.2 . 1 . . . . . . . . 6229 1 1056 . 1 1 261 261 GLY C C 13 172.78 0.2 . 1 . . . . . . . . 6229 1 1057 . 1 1 261 261 GLY N N 15 109.605 0.2 . 1 . . . . . . . . 6229 1 1058 . 1 1 262 262 VAL H H 1 6.369 0.01 . 1 . . . . . . . . 6229 1 1059 . 1 1 262 262 VAL CA C 13 60.284 0.2 . 1 . . . . . . . . 6229 1 1060 . 1 1 262 262 VAL C C 13 174.28 0.2 . 1 . . . . . . . . 6229 1 1061 . 1 1 262 262 VAL CB C 13 34.384 0.2 . 1 . . . . . . . . 6229 1 1062 . 1 1 262 262 VAL N N 15 117.768 0.2 . 1 . . . . . . . . 6229 1 1063 . 1 1 263 263 ASP H H 1 8.756 0.01 . 1 . . . . . . . . 6229 1 1064 . 1 1 263 263 ASP CA C 13 51.584 0.2 . 1 . . . . . . . . 6229 1 1065 . 1 1 263 263 ASP C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 1066 . 1 1 263 263 ASP CB C 13 40.184 0.2 . 1 . . . . . . . . 6229 1 1067 . 1 1 263 263 ASP N N 15 127.67 0.2 . 1 . . . . . . . . 6229 1 1068 . 1 1 264 264 LEU H H 1 9.34 0.01 . 1 . . . . . . . . 6229 1 1069 . 1 1 264 264 LEU CA C 13 57.284 0.2 . 1 . . . . . . . . 6229 1 1070 . 1 1 264 264 LEU C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 1071 . 1 1 264 264 LEU CB C 13 42.784 0.2 . 1 . . . . . . . . 6229 1 1072 . 1 1 264 264 LEU N N 15 127.797 0.2 . 1 . . . . . . . . 6229 1 1073 . 1 1 265 265 LYS H H 1 7.77 0.01 . 1 . . . . . . . . 6229 1 1074 . 1 1 265 265 LYS CA C 13 57.884 0.2 . 1 . . . . . . . . 6229 1 1075 . 1 1 265 265 LYS C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 1076 . 1 1 265 265 LYS CB C 13 29.484 0.2 . 1 . . . . . . . . 6229 1 1077 . 1 1 265 265 LYS N N 15 112.117 0.2 . 1 . . . . . . . . 6229 1 1078 . 1 1 266 266 ALA H H 1 6.898 0.01 . 1 . . . . . . . . 6229 1 1079 . 1 1 266 266 ALA CA C 13 51.084 0.2 . 1 . . . . . . . . 6229 1 1080 . 1 1 266 266 ALA C C 13 177.18 0.2 . 1 . . . . . . . . 6229 1 1081 . 1 1 266 266 ALA CB C 13 18.084 0.2 . 1 . . . . . . . . 6229 1 1082 . 1 1 266 266 ALA N N 15 119.413 0.2 . 1 . . . . . . . . 6229 1 1083 . 1 1 267 267 ASP H H 1 7.079 0.01 . 1 . . . . . . . . 6229 1 1084 . 1 1 267 267 ASP CA C 13 51.984 0.2 . 1 . . . . . . . . 6229 1 1085 . 1 1 267 267 ASP C C 13 174.88 0.2 . 1 . . . . . . . . 6229 1 1086 . 1 1 267 267 ASP CB C 13 41.984 0.2 . 1 . . . . . . . . 6229 1 1087 . 1 1 267 267 ASP N N 15 121.048 0.2 . 1 . . . . . . . . 6229 1 1088 . 1 1 268 268 ARG H H 1 8.592 0.01 . 1 . . . . . . . . 6229 1 1089 . 1 1 268 268 ARG CA C 13 59.484 0.2 . 1 . . . . . . . . 6229 1 1090 . 1 1 268 268 ARG C C 13 176.98 0.2 . 1 . . . . . . . . 6229 1 1091 . 1 1 268 268 ARG CB C 13 29.484 0.2 . 1 . . . . . . . . 6229 1 1092 . 1 1 268 268 ARG N N 15 125.252 0.2 . 1 . . . . . . . . 6229 1 1093 . 1 1 269 269 GLN H H 1 7.893 0.01 . 1 . . . . . . . . 6229 1 1094 . 1 1 269 269 GLN CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 1095 . 1 1 269 269 GLN C C 13 178.08 0.2 . 1 . . . . . . . . 6229 1 1096 . 1 1 269 269 GLN CB C 13 27.084 0.2 . 1 . . . . . . . . 6229 1 1097 . 1 1 269 269 GLN N N 15 117.221 0.2 . 1 . . . . . . . . 6229 1 1098 . 1 1 270 270 ALA H H 1 7.579 0.01 . 1 . . . . . . . . 6229 1 1099 . 1 1 270 270 ALA CA C 13 54.484 0.2 . 1 . . . . . . . . 6229 1 1100 . 1 1 270 270 ALA C C 13 179.28 0.2 . 1 . . . . . . . . 6229 1 1101 . 1 1 270 270 ALA N N 15 124.143 0.2 . 1 . . . . . . . . 6229 1 1102 . 1 1 271 271 LEU H H 1 8.777 0.01 . 1 . . . . . . . . 6229 1 1103 . 1 1 271 271 LEU CA C 13 57.584 0.2 . 1 . . . . . . . . 6229 1 1104 . 1 1 271 271 LEU C C 13 177.48 0.2 . 1 . . . . . . . . 6229 1 1105 . 1 1 271 271 LEU CB C 13 40.084 0.2 . 1 . . . . . . . . 6229 1 1106 . 1 1 271 271 LEU N N 15 120.528 0.2 . 1 . . . . . . . . 6229 1 1107 . 1 1 272 272 GLN H H 1 8.1 0.01 . 1 . . . . . . . . 6229 1 1108 . 1 1 272 272 GLN CA C 13 58.284 0.2 . 1 . . . . . . . . 6229 1 1109 . 1 1 272 272 GLN C C 13 177.78 0.2 . 1 . . . . . . . . 6229 1 1110 . 1 1 272 272 GLN CB C 13 28.284 0.2 . 1 . . . . . . . . 6229 1 1111 . 1 1 272 272 GLN N N 15 119.328 0.2 . 1 . . . . . . . . 6229 1 1112 . 1 1 273 273 ARG H H 1 7.284 0.01 . 1 . . . . . . . . 6229 1 1113 . 1 1 273 273 ARG CA C 13 58.884 0.2 . 1 . . . . . . . . 6229 1 1114 . 1 1 273 273 ARG C C 13 179.28 0.2 . 1 . . . . . . . . 6229 1 1115 . 1 1 273 273 ARG CB C 13 30.184 0.2 . 1 . . . . . . . . 6229 1 1116 . 1 1 273 273 ARG N N 15 117.791 0.2 . 1 . . . . . . . . 6229 1 1117 . 1 1 274 274 LEU H H 1 8.787 0.01 . 1 . . . . . . . . 6229 1 1118 . 1 1 274 274 LEU CA C 13 57.684 0.2 . 1 . . . . . . . . 6229 1 1119 . 1 1 274 274 LEU C C 13 180.98 0.2 . 1 . . . . . . . . 6229 1 1120 . 1 1 274 274 LEU CB C 13 40.884 0.2 . 1 . . . . . . . . 6229 1 1121 . 1 1 274 274 LEU N N 15 122.69 0.2 . 1 . . . . . . . . 6229 1 1122 . 1 1 275 275 ILE H H 1 8.454 0.01 . 1 . . . . . . . . 6229 1 1123 . 1 1 275 275 ILE CA C 13 64.184 0.2 . 1 . . . . . . . . 6229 1 1124 . 1 1 275 275 ILE C C 13 177.58 0.2 . 1 . . . . . . . . 6229 1 1125 . 1 1 275 275 ILE CB C 13 37.384 0.2 . 1 . . . . . . . . 6229 1 1126 . 1 1 275 275 ILE N N 15 120.744 0.2 . 1 . . . . . . . . 6229 1 1127 . 1 1 276 276 GLU H H 1 7.208 0.01 . 1 . . . . . . . . 6229 1 1128 . 1 1 276 276 GLU CA C 13 58.884 0.2 . 1 . . . . . . . . 6229 1 1129 . 1 1 276 276 GLU C C 13 178.28 0.2 . 1 . . . . . . . . 6229 1 1130 . 1 1 276 276 GLU CB C 13 29.484 0.2 . 1 . . . . . . . . 6229 1 1131 . 1 1 276 276 GLU N N 15 122.17 0.2 . 1 . . . . . . . . 6229 1 1132 . 1 1 277 277 ALA H H 1 8.069 0.01 . 1 . . . . . . . . 6229 1 1133 . 1 1 277 277 ALA CA C 13 53.984 0.2 . 1 . . . . . . . . 6229 1 1134 . 1 1 277 277 ALA C C 13 179.88 0.2 . 1 . . . . . . . . 6229 1 1135 . 1 1 277 277 ALA CB C 13 18.184 0.2 . 1 . . . . . . . . 6229 1 1136 . 1 1 277 277 ALA N N 15 121.983 0.2 . 1 . . . . . . . . 6229 1 1137 . 1 1 278 278 ALA H H 1 8.858 0.01 . 1 . . . . . . . . 6229 1 1138 . 1 1 278 278 ALA CA C 13 55.084 0.2 . 1 . . . . . . . . 6229 1 1139 . 1 1 278 278 ALA C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 1140 . 1 1 278 278 ALA CB C 13 19.184 0.2 . 1 . . . . . . . . 6229 1 1141 . 1 1 278 278 ALA N N 15 123.046 0.2 . 1 . . . . . . . . 6229 1 1142 . 1 1 279 279 GLU H H 1 7.373 0.01 . 1 . . . . . . . . 6229 1 1143 . 1 1 279 279 GLU CA C 13 58.884 0.2 . 1 . . . . . . . . 6229 1 1144 . 1 1 279 279 GLU C C 13 172.58 0.2 . 1 . . . . . . . . 6229 1 1145 . 1 1 279 279 GLU CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 1146 . 1 1 279 279 GLU N N 15 118.392 0.2 . 1 . . . . . . . . 6229 1 1147 . 1 1 280 280 LYS H H 1 7.301 0.01 . 1 . . . . . . . . 6229 1 1148 . 1 1 280 280 LYS CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 1149 . 1 1 280 280 LYS C C 13 177.78 0.2 . 1 . . . . . . . . 6229 1 1150 . 1 1 280 280 LYS CB C 13 31.584 0.2 . 1 . . . . . . . . 6229 1 1151 . 1 1 280 280 LYS N N 15 118.148 0.2 . 1 . . . . . . . . 6229 1 1152 . 1 1 281 281 ALA H H 1 7.986 0.01 . 1 . . . . . . . . 6229 1 1153 . 1 1 281 281 ALA CA C 13 53.884 0.2 . 1 . . . . . . . . 6229 1 1154 . 1 1 281 281 ALA C C 13 178.18 0.2 . 1 . . . . . . . . 6229 1 1155 . 1 1 281 281 ALA CB C 13 17.384 0.2 . 1 . . . . . . . . 6229 1 1156 . 1 1 281 281 ALA N N 15 122.56 0.2 . 1 . . . . . . . . 6229 1 1157 . 1 1 282 282 LYS H H 1 7.898 0.01 . 1 . . . . . . . . 6229 1 1158 . 1 1 282 282 LYS CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 1159 . 1 1 282 282 LYS C C 13 177.68 0.2 . 1 . . . . . . . . 6229 1 1160 . 1 1 282 282 LYS CB C 13 33.784 0.2 . 1 . . . . . . . . 6229 1 1161 . 1 1 282 282 LYS N N 15 118.337 0.2 . 1 . . . . . . . . 6229 1 1162 . 1 1 283 283 ILE H H 1 7.682 0.01 . 1 . . . . . . . . 6229 1 1163 . 1 1 283 283 ILE CA C 13 64.984 0.2 . 1 . . . . . . . . 6229 1 1164 . 1 1 283 283 ILE C C 13 180.18 0.2 . 1 . . . . . . . . 6229 1 1165 . 1 1 283 283 ILE CB C 13 36.284 0.2 . 1 . . . . . . . . 6229 1 1166 . 1 1 283 283 ILE N N 15 119.739 0.2 . 1 . . . . . . . . 6229 1 1167 . 1 1 284 284 GLU H H 1 8.175 0.01 . 1 . . . . . . . . 6229 1 1168 . 1 1 284 284 GLU CA C 13 59.984 0.2 . 1 . . . . . . . . 6229 1 1169 . 1 1 284 284 GLU C C 13 179.28 0.2 . 1 . . . . . . . . 6229 1 1170 . 1 1 284 284 GLU CB C 13 27.984 0.2 . 1 . . . . . . . . 6229 1 1171 . 1 1 284 284 GLU N N 15 124.704 0.2 . 1 . . . . . . . . 6229 1 1172 . 1 1 285 285 LEU H H 1 7.8 0.01 . 1 . . . . . . . . 6229 1 1173 . 1 1 285 285 LEU CA C 13 55.484 0.2 . 1 . . . . . . . . 6229 1 1174 . 1 1 285 285 LEU C C 13 178.58 0.2 . 1 . . . . . . . . 6229 1 1175 . 1 1 285 285 LEU CB C 13 40.484 0.2 . 1 . . . . . . . . 6229 1 1176 . 1 1 285 285 LEU N N 15 119.009 0.2 . 1 . . . . . . . . 6229 1 1177 . 1 1 286 286 SER H H 1 7.954 0.01 . 1 . . . . . . . . 6229 1 1178 . 1 1 286 286 SER CA C 13 60.584 0.2 . 1 . . . . . . . . 6229 1 1179 . 1 1 286 286 SER C C 13 173.18 0.2 . 1 . . . . . . . . 6229 1 1180 . 1 1 286 286 SER CB C 13 61.484 0.2 . 1 . . . . . . . . 6229 1 1181 . 1 1 286 286 SER N N 15 120.324 0.2 . 1 . . . . . . . . 6229 1 1182 . 1 1 287 287 SER H H 1 8.107 0.01 . 1 . . . . . . . . 6229 1 1183 . 1 1 287 287 SER CA C 13 58.784 0.2 . 1 . . . . . . . . 6229 1 1184 . 1 1 287 287 SER C C 13 172.78 0.2 . 1 . . . . . . . . 6229 1 1185 . 1 1 287 287 SER CB C 13 64.484 0.2 . 1 . . . . . . . . 6229 1 1186 . 1 1 287 287 SER N N 15 114.114 0.2 . 1 . . . . . . . . 6229 1 1187 . 1 1 288 288 THR H H 1 8.008 0.01 . 1 . . . . . . . . 6229 1 1188 . 1 1 288 288 THR CA C 13 60.084 0.2 . 1 . . . . . . . . 6229 1 1189 . 1 1 288 288 THR C C 13 172.88 0.2 . 1 . . . . . . . . 6229 1 1190 . 1 1 288 288 THR CB C 13 70.584 0.2 . 1 . . . . . . . . 6229 1 1191 . 1 1 288 288 THR N N 15 116.408 0.2 . 1 . . . . . . . . 6229 1 1192 . 1 1 289 289 LEU H H 1 8.08 0.01 . 1 . . . . . . . . 6229 1 1193 . 1 1 289 289 LEU CA C 13 55.284 0.2 . 1 . . . . . . . . 6229 1 1194 . 1 1 289 289 LEU C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 1195 . 1 1 289 289 LEU CB C 13 41.784 0.2 . 1 . . . . . . . . 6229 1 1196 . 1 1 289 289 LEU N N 15 118.973 0.2 . 1 . . . . . . . . 6229 1 1197 . 1 1 290 290 GLU H H 1 7.561 0.01 . 1 . . . . . . . . 6229 1 1198 . 1 1 290 290 GLU CA C 13 55.084 0.2 . 1 . . . . . . . . 6229 1 1199 . 1 1 290 290 GLU C C 13 172.28 0.2 . 1 . . . . . . . . 6229 1 1200 . 1 1 290 290 GLU CB C 13 32.084 0.2 . 1 . . . . . . . . 6229 1 1201 . 1 1 290 290 GLU N N 15 117.907 0.2 . 1 . . . . . . . . 6229 1 1202 . 1 1 291 291 THR H H 1 8.401 0.01 . 1 . . . . . . . . 6229 1 1203 . 1 1 291 291 THR CA C 13 59.884 0.2 . 1 . . . . . . . . 6229 1 1204 . 1 1 291 291 THR C C 13 170.78 0.2 . 1 . . . . . . . . 6229 1 1205 . 1 1 291 291 THR CB C 13 69.384 0.2 . 1 . . . . . . . . 6229 1 1206 . 1 1 291 291 THR N N 15 118.486 0.2 . 1 . . . . . . . . 6229 1 1207 . 1 1 292 292 THR H H 1 8.091 0.01 . 1 . . . . . . . . 6229 1 1208 . 1 1 292 292 THR CA C 13 61.884 0.2 . 1 . . . . . . . . 6229 1 1209 . 1 1 292 292 THR C C 13 173.08 0.2 . 1 . . . . . . . . 6229 1 1210 . 1 1 292 292 THR CB C 13 69.884 0.2 . 1 . . . . . . . . 6229 1 1211 . 1 1 292 292 THR N N 15 121.994 0.2 . 1 . . . . . . . . 6229 1 1212 . 1 1 293 293 ILE H H 1 9.167 0.01 . 1 . . . . . . . . 6229 1 1213 . 1 1 293 293 ILE CA C 13 60.684 0.2 . 1 . . . . . . . . 6229 1 1214 . 1 1 293 293 ILE C C 13 173.08 0.2 . 1 . . . . . . . . 6229 1 1215 . 1 1 293 293 ILE CB C 13 37.884 0.2 . 1 . . . . . . . . 6229 1 1216 . 1 1 293 293 ILE N N 15 131.383 0.2 . 1 . . . . . . . . 6229 1 1217 . 1 1 294 294 SER H H 1 8.457 0.01 . 1 . . . . . . . . 6229 1 1218 . 1 1 294 294 SER CA C 13 55.984 0.2 . 1 . . . . . . . . 6229 1 1219 . 1 1 294 294 SER C C 13 172.98 0.2 . 1 . . . . . . . . 6229 1 1220 . 1 1 294 294 SER CB C 13 62.884 0.2 . 1 . . . . . . . . 6229 1 1221 . 1 1 294 294 SER N N 15 123.646 0.2 . 1 . . . . . . . . 6229 1 1222 . 1 1 295 295 LEU H H 1 9.177 0.01 . 1 . . . . . . . . 6229 1 1223 . 1 1 295 295 LEU CA C 13 50.884 0.2 . 1 . . . . . . . . 6229 1 1224 . 1 1 295 295 LEU C C 13 172.08 0.2 . 1 . . . . . . . . 6229 1 1225 . 1 1 295 295 LEU CB C 13 43.184 0.2 . 1 . . . . . . . . 6229 1 1226 . 1 1 295 295 LEU N N 15 128.096 0.2 . 1 . . . . . . . . 6229 1 1227 . 1 1 298 298 ILE CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 1228 . 1 1 298 298 ILE C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 1229 . 1 1 298 298 ILE CB C 13 38.384 0.2 . 1 . . . . . . . . 6229 1 1230 . 1 1 299 299 ALA H H 1 7.566 0.01 . 1 . . . . . . . . 6229 1 1231 . 1 1 299 299 ALA CA C 13 50.384 0.2 . 1 . . . . . . . . 6229 1 1232 . 1 1 299 299 ALA C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 1233 . 1 1 299 299 ALA CB C 13 22.384 0.2 . 1 . . . . . . . . 6229 1 1234 . 1 1 299 299 ALA N N 15 121.364 0.2 . 1 . . . . . . . . 6229 1 1235 . 1 1 300 300 LEU H H 1 8.138 0.01 . 1 . . . . . . . . 6229 1 1236 . 1 1 300 300 LEU CA C 13 52.884 0.2 . 1 . . . . . . . . 6229 1 1237 . 1 1 300 300 LEU C C 13 175.68 0.2 . 1 . . . . . . . . 6229 1 1238 . 1 1 300 300 LEU CB C 13 43.284 0.2 . 1 . . . . . . . . 6229 1 1239 . 1 1 300 300 LEU N N 15 120.983 0.2 . 1 . . . . . . . . 6229 1 1240 . 1 1 301 301 ASP H H 1 8.66 0.01 . 1 . . . . . . . . 6229 1 1241 . 1 1 301 301 ASP CA C 13 51.884 0.2 . 1 . . . . . . . . 6229 1 1242 . 1 1 301 301 ASP C C 13 175.68 0.2 . 1 . . . . . . . . 6229 1 1243 . 1 1 301 301 ASP CB C 13 42.184 0.2 . 1 . . . . . . . . 6229 1 1244 . 1 1 301 301 ASP N N 15 125.465 0.2 . 1 . . . . . . . . 6229 1 1245 . 1 1 302 302 PRO CA C 13 64.484 0.2 . 1 . . . . . . . . 6229 1 1246 . 1 1 302 302 PRO C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 1247 . 1 1 302 302 PRO CB C 13 31.384 0.2 . 1 . . . . . . . . 6229 1 1248 . 1 1 303 303 ALA H H 1 8.064 0.01 . 1 . . . . . . . . 6229 1 1249 . 1 1 303 303 ALA CA C 13 53.384 0.2 . 1 . . . . . . . . 6229 1 1250 . 1 1 303 303 ALA C C 13 178.18 0.2 . 1 . . . . . . . . 6229 1 1251 . 1 1 303 303 ALA CB C 13 18.484 0.2 . 1 . . . . . . . . 6229 1 1252 . 1 1 303 303 ALA N N 15 120.185 0.2 . 1 . . . . . . . . 6229 1 1253 . 1 1 304 304 SER H H 1 8.057 0.01 . 1 . . . . . . . . 6229 1 1254 . 1 1 304 304 SER CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 1255 . 1 1 304 304 SER C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 1256 . 1 1 304 304 SER CB C 13 65.084 0.2 . 1 . . . . . . . . 6229 1 1257 . 1 1 304 304 SER N N 15 112.415 0.2 . 1 . . . . . . . . 6229 1 1258 . 1 1 305 305 LYS H H 1 8.4 0.01 . 1 . . . . . . . . 6229 1 1259 . 1 1 305 305 LYS CA C 13 56.984 0.2 . 1 . . . . . . . . 6229 1 1260 . 1 1 305 305 LYS C C 13 174.18 0.2 . 1 . . . . . . . . 6229 1 1261 . 1 1 305 305 LYS CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 1262 . 1 1 305 305 LYS N N 15 118.942 0.2 . 1 . . . . . . . . 6229 1 1263 . 1 1 306 306 THR H H 1 7.294 0.01 . 1 . . . . . . . . 6229 1 1264 . 1 1 306 306 THR CA C 13 59.484 0.2 . 1 . . . . . . . . 6229 1 1265 . 1 1 306 306 THR C C 13 172.58 0.2 . 1 . . . . . . . . 6229 1 1266 . 1 1 306 306 THR CB C 13 69.084 0.2 . 1 . . . . . . . . 6229 1 1267 . 1 1 306 306 THR N N 15 112.946 0.2 . 1 . . . . . . . . 6229 1 1268 . 1 1 307 307 PRO CA C 13 63.184 0.2 . 1 . . . . . . . . 6229 1 1269 . 1 1 307 307 PRO C C 13 174.38 0.2 . 1 . . . . . . . . 6229 1 1270 . 1 1 307 307 PRO CB C 13 32.084 0.2 . 1 . . . . . . . . 6229 1 1271 . 1 1 308 308 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 6229 1 1272 . 1 1 308 308 LEU CA C 13 52.184 0.2 . 1 . . . . . . . . 6229 1 1273 . 1 1 308 308 LEU C C 13 173.98 0.2 . 1 . . . . . . . . 6229 1 1274 . 1 1 308 308 LEU CB C 13 44.284 0.2 . 1 . . . . . . . . 6229 1 1275 . 1 1 308 308 LEU N N 15 122.374 0.2 . 1 . . . . . . . . 6229 1 1276 . 1 1 309 309 HIS H H 1 8.05 0.01 . 1 . . . . . . . . 6229 1 1277 . 1 1 309 309 HIS CA C 13 53.184 0.2 . 1 . . . . . . . . 6229 1 1278 . 1 1 309 309 HIS C C 13 174.08 0.2 . 1 . . . . . . . . 6229 1 1279 . 1 1 309 309 HIS CB C 13 32.384 0.2 . 1 . . . . . . . . 6229 1 1280 . 1 1 309 309 HIS N N 15 120.534 0.2 . 1 . . . . . . . . 6229 1 1281 . 1 1 310 310 LEU H H 1 7.841 0.01 . 1 . . . . . . . . 6229 1 1282 . 1 1 310 310 LEU CA C 13 54.384 0.2 . 1 . . . . . . . . 6229 1 1283 . 1 1 310 310 LEU C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 1284 . 1 1 310 310 LEU CB C 13 43.484 0.2 . 1 . . . . . . . . 6229 1 1285 . 1 1 310 310 LEU N N 15 125.962 0.2 . 1 . . . . . . . . 6229 1 1286 . 1 1 311 311 GLU H H 1 8.705 0.01 . 1 . . . . . . . . 6229 1 1287 . 1 1 311 311 GLU CA C 13 55.584 0.2 . 1 . . . . . . . . 6229 1 1288 . 1 1 311 311 GLU C C 13 174.28 0.2 . 1 . . . . . . . . 6229 1 1289 . 1 1 311 311 GLU CB C 13 30.884 0.2 . 1 . . . . . . . . 6229 1 1290 . 1 1 311 311 GLU N N 15 131.477 0.2 . 1 . . . . . . . . 6229 1 1291 . 1 1 312 312 LYS H H 1 8.875 0.01 . 1 . . . . . . . . 6229 1 1292 . 1 1 312 312 LYS CA C 13 53.684 0.2 . 1 . . . . . . . . 6229 1 1293 . 1 1 312 312 LYS C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 1294 . 1 1 312 312 LYS CB C 13 36.584 0.2 . 1 . . . . . . . . 6229 1 1295 . 1 1 312 312 LYS N N 15 127.299 0.2 . 1 . . . . . . . . 6229 1 1296 . 1 1 313 313 LYS H H 1 8.529 0.01 . 1 . . . . . . . . 6229 1 1297 . 1 1 313 313 LYS CA C 13 55.584 0.2 . 1 . . . . . . . . 6229 1 1298 . 1 1 313 313 LYS C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 1299 . 1 1 313 313 LYS CB C 13 31.884 0.2 . 1 . . . . . . . . 6229 1 1300 . 1 1 313 313 LYS N N 15 125.853 0.2 . 1 . . . . . . . . 6229 1 1301 . 1 1 314 314 LEU H H 1 8.882 0.01 . 1 . . . . . . . . 6229 1 1302 . 1 1 314 314 LEU CA C 13 52.984 0.2 . 1 . . . . . . . . 6229 1 1303 . 1 1 314 314 LEU C C 13 174.58 0.2 . 1 . . . . . . . . 6229 1 1304 . 1 1 314 314 LEU CB C 13 43.284 0.2 . 1 . . . . . . . . 6229 1 1305 . 1 1 314 314 LEU N N 15 128.739 0.2 . 1 . . . . . . . . 6229 1 1306 . 1 1 315 315 THR H H 1 7.838 0.01 . 1 . . . . . . . . 6229 1 1307 . 1 1 315 315 THR CA C 13 59.284 0.2 . 1 . . . . . . . . 6229 1 1308 . 1 1 315 315 THR C C 13 174.68 0.2 . 1 . . . . . . . . 6229 1 1309 . 1 1 315 315 THR CB C 13 70.184 0.2 . 1 . . . . . . . . 6229 1 1310 . 1 1 315 315 THR N N 15 116.722 0.2 . 1 . . . . . . . . 6229 1 1311 . 1 1 316 316 ARG H H 1 8.853 0.01 . 1 . . . . . . . . 6229 1 1312 . 1 1 316 316 ARG CA C 13 59.784 0.2 . 1 . . . . . . . . 6229 1 1313 . 1 1 316 316 ARG C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 1314 . 1 1 316 316 ARG CB C 13 29.184 0.2 . 1 . . . . . . . . 6229 1 1315 . 1 1 316 316 ARG N N 15 124.15 0.2 . 1 . . . . . . . . 6229 1 1316 . 1 1 317 317 ALA H H 1 8.287 0.01 . 1 . . . . . . . . 6229 1 1317 . 1 1 317 317 ALA CA C 13 54.984 0.2 . 1 . . . . . . . . 6229 1 1318 . 1 1 317 317 ALA C C 13 179.68 0.2 . 1 . . . . . . . . 6229 1 1319 . 1 1 317 317 ALA CB C 13 16.984 0.2 . 1 . . . . . . . . 6229 1 1320 . 1 1 317 317 ALA N N 15 120.837 0.2 . 1 . . . . . . . . 6229 1 1321 . 1 1 318 318 LYS H H 1 7.896 0.01 . 1 . . . . . . . . 6229 1 1322 . 1 1 318 318 LYS CA C 13 56.784 0.2 . 1 . . . . . . . . 6229 1 1323 . 1 1 318 318 LYS C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 1324 . 1 1 318 318 LYS CB C 13 29.684 0.2 . 1 . . . . . . . . 6229 1 1325 . 1 1 318 318 LYS N N 15 121.613 0.2 . 1 . . . . . . . . 6229 1 1326 . 1 1 319 319 PHE H H 1 8.335 0.01 . 1 . . . . . . . . 6229 1 1327 . 1 1 319 319 PHE CA C 13 59.784 0.2 . 1 . . . . . . . . 6229 1 1328 . 1 1 319 319 PHE C C 13 175.48 0.2 . 1 . . . . . . . . 6229 1 1329 . 1 1 319 319 PHE CB C 13 38.584 0.2 . 1 . . . . . . . . 6229 1 1330 . 1 1 319 319 PHE N N 15 121.511 0.2 . 1 . . . . . . . . 6229 1 1331 . 1 1 320 320 GLU H H 1 8.59 0.01 . 1 . . . . . . . . 6229 1 1332 . 1 1 320 320 GLU CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 1333 . 1 1 320 320 GLU C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 1334 . 1 1 320 320 GLU CB C 13 27.684 0.2 . 1 . . . . . . . . 6229 1 1335 . 1 1 320 320 GLU N N 15 117.928 0.2 . 1 . . . . . . . . 6229 1 1336 . 1 1 321 321 GLU H H 1 7.497 0.01 . 1 . . . . . . . . 6229 1 1337 . 1 1 321 321 GLU CA C 13 59.084 0.2 . 1 . . . . . . . . 6229 1 1338 . 1 1 321 321 GLU C C 13 179.38 0.2 . 1 . . . . . . . . 6229 1 1339 . 1 1 321 321 GLU CB C 13 27.284 0.2 . 1 . . . . . . . . 6229 1 1340 . 1 1 321 321 GLU N N 15 121.424 0.2 . 1 . . . . . . . . 6229 1 1341 . 1 1 322 322 LEU H H 1 8.066 0.01 . 1 . . . . . . . . 6229 1 1342 . 1 1 322 322 LEU CA C 13 56.784 0.2 . 1 . . . . . . . . 6229 1 1343 . 1 1 322 322 LEU C C 13 178.58 0.2 . 1 . . . . . . . . 6229 1 1344 . 1 1 322 322 LEU CB C 13 41.284 0.2 . 1 . . . . . . . . 6229 1 1345 . 1 1 322 322 LEU N N 15 119.986 0.2 . 1 . . . . . . . . 6229 1 1346 . 1 1 323 323 ILE H H 1 7.289 0.01 . 1 . . . . . . . . 6229 1 1347 . 1 1 323 323 ILE CA C 13 60.184 0.2 . 1 . . . . . . . . 6229 1 1348 . 1 1 323 323 ILE C C 13 175.98 0.2 . 1 . . . . . . . . 6229 1 1349 . 1 1 323 323 ILE CB C 13 37.884 0.2 . 1 . . . . . . . . 6229 1 1350 . 1 1 323 323 ILE N N 15 106.194 0.2 . 1 . . . . . . . . 6229 1 1351 . 1 1 324 324 GLN H H 1 7.389 0.01 . 1 . . . . . . . . 6229 1 1352 . 1 1 324 324 GLN CA C 13 61.084 0.2 . 1 . . . . . . . . 6229 1 1353 . 1 1 324 324 GLN C C 13 174.38 0.2 . 1 . . . . . . . . 6229 1 1354 . 1 1 324 324 GLN CB C 13 25.684 0.2 . 1 . . . . . . . . 6229 1 1355 . 1 1 324 324 GLN N N 15 126.832 0.2 . 1 . . . . . . . . 6229 1 1356 . 1 1 325 325 PRO CA C 13 65.784 0.2 . 1 . . . . . . . . 6229 1 1357 . 1 1 325 325 PRO C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 1358 . 1 1 325 325 PRO CB C 13 30.484 0.2 . 1 . . . . . . . . 6229 1 1359 . 1 1 326 326 LEU H H 1 7.093 0.01 . 1 . . . . . . . . 6229 1 1360 . 1 1 326 326 LEU CA C 13 51.484 0.2 . 1 . . . . . . . . 6229 1 1361 . 1 1 326 326 LEU C C 13 177.88 0.2 . 1 . . . . . . . . 6229 1 1362 . 1 1 326 326 LEU CB C 13 40.184 0.2 . 1 . . . . . . . . 6229 1 1363 . 1 1 326 326 LEU N N 15 116.205 0.2 . 1 . . . . . . . . 6229 1 1364 . 1 1 327 327 LEU H H 1 7.702 0.01 . 1 . . . . . . . . 6229 1 1365 . 1 1 327 327 LEU CA C 13 56.784 0.2 . 1 . . . . . . . . 6229 1 1366 . 1 1 327 327 LEU C C 13 180.18 0.2 . 1 . . . . . . . . 6229 1 1367 . 1 1 327 327 LEU CB C 13 39.784 0.2 . 1 . . . . . . . . 6229 1 1368 . 1 1 327 327 LEU N N 15 118.167 0.2 . 1 . . . . . . . . 6229 1 1369 . 1 1 328 328 LYS H H 1 7.802 0.01 . 1 . . . . . . . . 6229 1 1370 . 1 1 328 328 LYS CA C 13 58.384 0.2 . 1 . . . . . . . . 6229 1 1371 . 1 1 328 328 LYS C C 13 178.78 0.2 . 1 . . . . . . . . 6229 1 1372 . 1 1 328 328 LYS CB C 13 31.484 0.2 . 1 . . . . . . . . 6229 1 1373 . 1 1 328 328 LYS N N 15 118.17 0.2 . 1 . . . . . . . . 6229 1 1374 . 1 1 329 329 ARG H H 1 7.16 0.01 . 1 . . . . . . . . 6229 1 1375 . 1 1 329 329 ARG CA C 13 57.284 0.2 . 1 . . . . . . . . 6229 1 1376 . 1 1 329 329 ARG C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 1377 . 1 1 329 329 ARG CB C 13 30.484 0.2 . 1 . . . . . . . . 6229 1 1378 . 1 1 329 329 ARG N N 15 119.056 0.2 . 1 . . . . . . . . 6229 1 1379 . 1 1 330 330 LEU H H 1 7.185 0.01 . 1 . . . . . . . . 6229 1 1380 . 1 1 330 330 LEU CA C 13 55.584 0.2 . 1 . . . . . . . . 6229 1 1381 . 1 1 330 330 LEU C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 1382 . 1 1 330 330 LEU CB C 13 40.784 0.2 . 1 . . . . . . . . 6229 1 1383 . 1 1 330 330 LEU N N 15 117.789 0.2 . 1 . . . . . . . . 6229 1 1384 . 1 1 331 331 ARG H H 1 6.899 0.01 . 1 . . . . . . . . 6229 1 1385 . 1 1 331 331 ARG CA C 13 59.184 0.2 . 1 . . . . . . . . 6229 1 1386 . 1 1 331 331 ARG C C 13 177.78 0.2 . 1 . . . . . . . . 6229 1 1387 . 1 1 331 331 ARG CB C 13 29.784 0.2 . 1 . . . . . . . . 6229 1 1388 . 1 1 331 331 ARG N N 15 114.194 0.2 . 1 . . . . . . . . 6229 1 1389 . 1 1 332 332 GLY H H 1 8.085 0.01 . 1 . . . . . . . . 6229 1 1390 . 1 1 332 332 GLY CA C 13 47.984 0.2 . 1 . . . . . . . . 6229 1 1391 . 1 1 332 332 GLY C C 13 175.58 0.2 . 1 . . . . . . . . 6229 1 1392 . 1 1 332 332 GLY N N 15 106.385 0.2 . 1 . . . . . . . . 6229 1 1393 . 1 1 333 333 PRO CA C 13 64.684 0.2 . 1 . . . . . . . . 6229 1 1394 . 1 1 333 333 PRO C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 1395 . 1 1 333 333 PRO CB C 13 31.184 0.2 . 1 . . . . . . . . 6229 1 1396 . 1 1 334 334 VAL H H 1 6.928 0.01 . 1 . . . . . . . . 6229 1 1397 . 1 1 334 334 VAL CA C 13 66.784 0.2 . 1 . . . . . . . . 6229 1 1398 . 1 1 334 334 VAL C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 1399 . 1 1 334 334 VAL CB C 13 30.984 0.2 . 1 . . . . . . . . 6229 1 1400 . 1 1 334 334 VAL N N 15 117.018 0.2 . 1 . . . . . . . . 6229 1 1401 . 1 1 335 335 GLU H H 1 8.027 0.01 . 1 . . . . . . . . 6229 1 1402 . 1 1 335 335 GLU CA C 13 59.384 0.2 . 1 . . . . . . . . 6229 1 1403 . 1 1 335 335 GLU C C 13 179.08 0.2 . 1 . . . . . . . . 6229 1 1404 . 1 1 335 335 GLU CB C 13 28.384 0.2 . 1 . . . . . . . . 6229 1 1405 . 1 1 335 335 GLU N N 15 118.532 0.2 . 1 . . . . . . . . 6229 1 1406 . 1 1 336 336 GLN H H 1 8.695 0.01 . 1 . . . . . . . . 6229 1 1407 . 1 1 336 336 GLN CA C 13 58.084 0.2 . 1 . . . . . . . . 6229 1 1408 . 1 1 336 336 GLN C C 13 176.58 0.2 . 1 . . . . . . . . 6229 1 1409 . 1 1 336 336 GLN CB C 13 27.884 0.2 . 1 . . . . . . . . 6229 1 1410 . 1 1 336 336 GLN N N 15 120.358 0.2 . 1 . . . . . . . . 6229 1 1411 . 1 1 337 337 ALA H H 1 7.798 0.01 . 1 . . . . . . . . 6229 1 1412 . 1 1 337 337 ALA CA C 13 54.784 0.2 . 1 . . . . . . . . 6229 1 1413 . 1 1 337 337 ALA C C 13 178.48 0.2 . 1 . . . . . . . . 6229 1 1414 . 1 1 337 337 ALA CB C 13 16.084 0.2 . 1 . . . . . . . . 6229 1 1415 . 1 1 337 337 ALA N N 15 121.945 0.2 . 1 . . . . . . . . 6229 1 1416 . 1 1 338 338 LEU H H 1 7.522 0.01 . 1 . . . . . . . . 6229 1 1417 . 1 1 338 338 LEU CA C 13 58.384 0.2 . 1 . . . . . . . . 6229 1 1418 . 1 1 338 338 LEU C C 13 177.68 0.2 . 1 . . . . . . . . 6229 1 1419 . 1 1 338 338 LEU CB C 13 39.784 0.2 . 1 . . . . . . . . 6229 1 1420 . 1 1 338 338 LEU N N 15 116.582 0.2 . 1 . . . . . . . . 6229 1 1421 . 1 1 339 339 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 6229 1 1422 . 1 1 339 339 LYS CA C 13 58.884 0.2 . 1 . . . . . . . . 6229 1 1423 . 1 1 339 339 LYS C C 13 180.18 0.2 . 1 . . . . . . . . 6229 1 1424 . 1 1 339 339 LYS CB C 13 30.684 0.2 . 1 . . . . . . . . 6229 1 1425 . 1 1 339 339 LYS N N 15 120.26 0.2 . 1 . . . . . . . . 6229 1 1426 . 1 1 340 340 ASP H H 1 8.752 0.01 . 1 . . . . . . . . 6229 1 1427 . 1 1 340 340 ASP CA C 13 56.984 0.2 . 1 . . . . . . . . 6229 1 1428 . 1 1 340 340 ASP C C 13 179.28 0.2 . 1 . . . . . . . . 6229 1 1429 . 1 1 340 340 ASP CB C 13 39.184 0.2 . 1 . . . . . . . . 6229 1 1430 . 1 1 340 340 ASP N N 15 123.202 0.2 . 1 . . . . . . . . 6229 1 1431 . 1 1 341 341 ALA H H 1 7.786 0.01 . 1 . . . . . . . . 6229 1 1432 . 1 1 341 341 ALA CA C 13 51.484 0.2 . 1 . . . . . . . . 6229 1 1433 . 1 1 341 341 ALA C C 13 176.18 0.2 . 1 . . . . . . . . 6229 1 1434 . 1 1 341 341 ALA CB C 13 18.684 0.2 . 1 . . . . . . . . 6229 1 1435 . 1 1 341 341 ALA N N 15 120.258 0.2 . 1 . . . . . . . . 6229 1 1436 . 1 1 342 342 GLY H H 1 7.897 0.01 . 1 . . . . . . . . 6229 1 1437 . 1 1 342 342 GLY CA C 13 45.884 0.2 . 1 . . . . . . . . 6229 1 1438 . 1 1 342 342 GLY C C 13 173.98 0.2 . 1 . . . . . . . . 6229 1 1439 . 1 1 342 342 GLY N N 15 110.105 0.2 . 1 . . . . . . . . 6229 1 1440 . 1 1 343 343 LEU H H 1 8.023 0.01 . 1 . . . . . . . . 6229 1 1441 . 1 1 343 343 LEU CA C 13 52.684 0.2 . 1 . . . . . . . . 6229 1 1442 . 1 1 343 343 LEU C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 1443 . 1 1 343 343 LEU CB C 13 45.484 0.2 . 1 . . . . . . . . 6229 1 1444 . 1 1 343 343 LEU N N 15 119.51 0.2 . 1 . . . . . . . . 6229 1 1445 . 1 1 344 344 THR H H 1 7.823 0.01 . 1 . . . . . . . . 6229 1 1446 . 1 1 344 344 THR CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 1447 . 1 1 344 344 THR C C 13 173.58 0.2 . 1 . . . . . . . . 6229 1 1448 . 1 1 344 344 THR CB C 13 68.784 0.2 . 1 . . . . . . . . 6229 1 1449 . 1 1 344 344 THR N N 15 111.356 0.2 . 1 . . . . . . . . 6229 1 1450 . 1 1 345 345 PRO C C 13 177.38 0.2 . 1 . . . . . . . . 6229 1 1451 . 1 1 346 346 ALA H H 1 7.486 0.01 . 1 . . . . . . . . 6229 1 1452 . 1 1 346 346 ALA CA C 13 53.284 0.2 . 1 . . . . . . . . 6229 1 1453 . 1 1 346 346 ALA C C 13 178.08 0.2 . 1 . . . . . . . . 6229 1 1454 . 1 1 346 346 ALA CB C 13 17.784 0.2 . 1 . . . . . . . . 6229 1 1455 . 1 1 346 346 ALA N N 15 117.044 0.2 . 1 . . . . . . . . 6229 1 1456 . 1 1 347 347 GLN H H 1 7.669 0.01 . 1 . . . . . . . . 6229 1 1457 . 1 1 347 347 GLN CA C 13 55.584 0.2 . 1 . . . . . . . . 6229 1 1458 . 1 1 347 347 GLN C C 13 173.98 0.2 . 1 . . . . . . . . 6229 1 1459 . 1 1 347 347 GLN CB C 13 29.984 0.2 . 1 . . . . . . . . 6229 1 1460 . 1 1 347 347 GLN N N 15 116.078 0.2 . 1 . . . . . . . . 6229 1 1461 . 1 1 348 348 ILE H H 1 7.147 0.01 . 1 . . . . . . . . 6229 1 1462 . 1 1 348 348 ILE CA C 13 57.484 0.2 . 1 . . . . . . . . 6229 1 1463 . 1 1 348 348 ILE C C 13 174.48 0.2 . 1 . . . . . . . . 6229 1 1464 . 1 1 348 348 ILE CB C 13 34.884 0.2 . 1 . . . . . . . . 6229 1 1465 . 1 1 348 348 ILE N N 15 120.183 0.2 . 1 . . . . . . . . 6229 1 1466 . 1 1 349 349 ASP H H 1 8.612 0.01 . 1 . . . . . . . . 6229 1 1467 . 1 1 349 349 ASP CA C 13 57.384 0.2 . 1 . . . . . . . . 6229 1 1468 . 1 1 349 349 ASP C C 13 175.98 0.2 . 1 . . . . . . . . 6229 1 1469 . 1 1 349 349 ASP CB C 13 42.184 0.2 . 1 . . . . . . . . 6229 1 1470 . 1 1 349 349 ASP N N 15 127.674 0.2 . 1 . . . . . . . . 6229 1 1471 . 1 1 350 350 GLU H H 1 7.24 0.01 . 1 . . . . . . . . 6229 1 1472 . 1 1 350 350 GLU CA C 13 54.484 0.2 . 1 . . . . . . . . 6229 1 1473 . 1 1 350 350 GLU C C 13 172.28 0.2 . 1 . . . . . . . . 6229 1 1474 . 1 1 350 350 GLU CB C 13 33.284 0.2 . 1 . . . . . . . . 6229 1 1475 . 1 1 350 350 GLU N N 15 115.267 0.2 . 1 . . . . . . . . 6229 1 1476 . 1 1 351 351 VAL H H 1 8.787 0.01 . 1 . . . . . . . . 6229 1 1477 . 1 1 351 351 VAL CA C 13 59.284 0.2 . 1 . . . . . . . . 6229 1 1478 . 1 1 351 351 VAL C C 13 174.78 0.2 . 1 . . . . . . . . 6229 1 1479 . 1 1 351 351 VAL CB C 13 33.684 0.2 . 1 . . . . . . . . 6229 1 1480 . 1 1 351 351 VAL N N 15 124.738 0.2 . 1 . . . . . . . . 6229 1 1481 . 1 1 352 352 ILE H H 1 8.519 0.01 . 1 . . . . . . . . 6229 1 1482 . 1 1 352 352 ILE CA C 13 58.584 0.2 . 1 . . . . . . . . 6229 1 1483 . 1 1 352 352 ILE C C 13 173.68 0.2 . 1 . . . . . . . . 6229 1 1484 . 1 1 352 352 ILE N N 15 122.302 0.2 . 1 . . . . . . . . 6229 1 1485 . 1 1 353 353 LEU H H 1 7.634 0.01 . 1 . . . . . . . . 6229 1 1486 . 1 1 353 353 LEU CA C 13 53.684 0.2 . 1 . . . . . . . . 6229 1 1487 . 1 1 353 353 LEU C C 13 174.78 0.2 . 1 . . . . . . . . 6229 1 1488 . 1 1 353 353 LEU CB C 13 40.484 0.2 . 1 . . . . . . . . 6229 1 1489 . 1 1 353 353 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 6229 1 1490 . 1 1 354 354 VAL H H 1 9.139 0.01 . 1 . . . . . . . . 6229 1 1491 . 1 1 354 354 VAL CA C 13 61.484 0.2 . 1 . . . . . . . . 6229 1 1492 . 1 1 354 354 VAL C C 13 171.88 0.2 . 1 . . . . . . . . 6229 1 1493 . 1 1 354 354 VAL CB C 13 34.784 0.2 . 1 . . . . . . . . 6229 1 1494 . 1 1 354 354 VAL N N 15 125.942 0.2 . 1 . . . . . . . . 6229 1 1495 . 1 1 355 355 GLY H H 1 7.136 0.01 . 1 . . . . . . . . 6229 1 1496 . 1 1 355 355 GLY CA C 13 42.784 0.2 . 1 . . . . . . . . 6229 1 1497 . 1 1 355 355 GLY C C 13 175.98 0.2 . 1 . . . . . . . . 6229 1 1498 . 1 1 355 355 GLY N N 15 112.047 0.2 . 1 . . . . . . . . 6229 1 1499 . 1 1 356 356 GLY H H 1 10.226 0.01 . 1 . . . . . . . . 6229 1 1500 . 1 1 356 356 GLY CA C 13 47.784 0.2 . 1 . . . . . . . . 6229 1 1501 . 1 1 356 356 GLY N N 15 116.257 0.2 . 1 . . . . . . . . 6229 1 1502 . 1 1 357 357 ALA H H 1 7.101 0.01 . 1 . . . . . . . . 6229 1 1503 . 1 1 357 357 ALA CA C 13 52.284 0.2 . 1 . . . . . . . . 6229 1 1504 . 1 1 357 357 ALA C C 13 175.68 0.2 . 1 . . . . . . . . 6229 1 1505 . 1 1 357 357 ALA N N 15 118.081 0.2 . 1 . . . . . . . . 6229 1 1506 . 1 1 358 358 THR CA C 13 63.584 0.2 . 1 . . . . . . . . 6229 1 1507 . 1 1 358 358 THR C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 1508 . 1 1 359 359 ARG H H 1 6.848 0.01 . 1 . . . . . . . . 6229 1 1509 . 1 1 359 359 ARG CA C 13 56.884 0.2 . 1 . . . . . . . . 6229 1 1510 . 1 1 359 359 ARG C C 13 175.68 0.2 . 1 . . . . . . . . 6229 1 1511 . 1 1 359 359 ARG CB C 13 29.784 0.2 . 1 . . . . . . . . 6229 1 1512 . 1 1 359 359 ARG N N 15 118.15 0.2 . 1 . . . . . . . . 6229 1 1513 . 1 1 360 360 VAL H H 1 6.736 0.01 . 1 . . . . . . . . 6229 1 1514 . 1 1 360 360 VAL CA C 13 60.684 0.2 . 1 . . . . . . . . 6229 1 1515 . 1 1 360 360 VAL C C 13 175.58 0.2 . 1 . . . . . . . . 6229 1 1516 . 1 1 360 360 VAL CB C 13 32.084 0.2 . 1 . . . . . . . . 6229 1 1517 . 1 1 360 360 VAL N N 15 120.317 0.2 . 1 . . . . . . . . 6229 1 1518 . 1 1 361 361 PRO CA C 13 66.084 0.2 . 1 . . . . . . . . 6229 1 1519 . 1 1 361 361 PRO C C 13 178.98 0.2 . 1 . . . . . . . . 6229 1 1520 . 1 1 361 361 PRO CB C 13 30.384 0.2 . 1 . . . . . . . . 6229 1 1521 . 1 1 362 362 ALA H H 1 9.519 0.01 . 1 . . . . . . . . 6229 1 1522 . 1 1 362 362 ALA CA C 13 54.384 0.2 . 1 . . . . . . . . 6229 1 1523 . 1 1 362 362 ALA C C 13 180.18 0.2 . 1 . . . . . . . . 6229 1 1524 . 1 1 362 362 ALA CB C 13 17.884 0.2 . 1 . . . . . . . . 6229 1 1525 . 1 1 362 362 ALA N N 15 120.679 0.2 . 1 . . . . . . . . 6229 1 1526 . 1 1 363 363 VAL H H 1 7.401 0.01 . 1 . . . . . . . . 6229 1 1527 . 1 1 363 363 VAL CA C 13 65.784 0.2 . 1 . . . . . . . . 6229 1 1528 . 1 1 363 363 VAL C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 1529 . 1 1 363 363 VAL CB C 13 29.984 0.2 . 1 . . . . . . . . 6229 1 1530 . 1 1 363 363 VAL N N 15 117.935 0.2 . 1 . . . . . . . . 6229 1 1531 . 1 1 364 364 GLN H H 1 7.08 0.01 . 1 . . . . . . . . 6229 1 1532 . 1 1 364 364 GLN CA C 13 60.084 0.2 . 1 . . . . . . . . 6229 1 1533 . 1 1 364 364 GLN C C 13 177.38 0.2 . 1 . . . . . . . . 6229 1 1534 . 1 1 364 364 GLN N N 15 118.915 0.2 . 1 . . . . . . . . 6229 1 1535 . 1 1 365 365 GLN H H 1 7.876 0.01 . 1 . . . . . . . . 6229 1 1536 . 1 1 365 365 GLN CA C 13 59.584 0.2 . 1 . . . . . . . . 6229 1 1537 . 1 1 365 365 GLN C C 13 174.38 0.2 . 1 . . . . . . . . 6229 1 1538 . 1 1 365 365 GLN CB C 13 30.484 0.2 . 1 . . . . . . . . 6229 1 1539 . 1 1 365 365 GLN N N 15 117.95 0.2 . 1 . . . . . . . . 6229 1 1540 . 1 1 367 367 VAL CA C 13 61.784 0.2 . 1 . . . . . . . . 6229 1 1541 . 1 1 367 367 VAL C C 13 176.98 0.2 . 1 . . . . . . . . 6229 1 1542 . 1 1 367 367 VAL CB C 13 31.784 0.2 . 1 . . . . . . . . 6229 1 1543 . 1 1 368 368 ARG H H 1 11.835 0.01 . 1 . . . . . . . . 6229 1 1544 . 1 1 368 368 ARG CA C 13 58.284 0.2 . 1 . . . . . . . . 6229 1 1545 . 1 1 368 368 ARG C C 13 175.38 0.2 . 1 . . . . . . . . 6229 1 1546 . 1 1 368 368 ARG CB C 13 35.284 0.2 . 1 . . . . . . . . 6229 1 1547 . 1 1 368 368 ARG N N 15 126.388 0.2 . 1 . . . . . . . . 6229 1 1548 . 1 1 369 369 GLU H H 1 8.069 0.01 . 1 . . . . . . . . 6229 1 1549 . 1 1 369 369 GLU CA C 13 58.784 0.2 . 1 . . . . . . . . 6229 1 1550 . 1 1 369 369 GLU C C 13 178.28 0.2 . 1 . . . . . . . . 6229 1 1551 . 1 1 369 369 GLU CB C 13 28.884 0.2 . 1 . . . . . . . . 6229 1 1552 . 1 1 369 369 GLU N N 15 120.844 0.2 . 1 . . . . . . . . 6229 1 1553 . 1 1 370 370 LEU H H 1 8.297 0.01 . 1 . . . . . . . . 6229 1 1554 . 1 1 370 370 LEU CA C 13 56.784 0.2 . 1 . . . . . . . . 6229 1 1555 . 1 1 370 370 LEU C C 13 178.08 0.2 . 1 . . . . . . . . 6229 1 1556 . 1 1 370 370 LEU CB C 13 42.584 0.2 . 1 . . . . . . . . 6229 1 1557 . 1 1 370 370 LEU N N 15 118.61 0.2 . 1 . . . . . . . . 6229 1 1558 . 1 1 371 371 LEU H H 1 7.892 0.01 . 1 . . . . . . . . 6229 1 1559 . 1 1 371 371 LEU CA C 13 53.484 0.2 . 1 . . . . . . . . 6229 1 1560 . 1 1 371 371 LEU C C 13 176.38 0.2 . 1 . . . . . . . . 6229 1 1561 . 1 1 371 371 LEU CB C 13 41.284 0.2 . 1 . . . . . . . . 6229 1 1562 . 1 1 371 371 LEU N N 15 115.454 0.2 . 1 . . . . . . . . 6229 1 1563 . 1 1 372 372 GLY H H 1 7.955 0.01 . 1 . . . . . . . . 6229 1 1564 . 1 1 372 372 GLY CA C 13 46.184 0.2 . 1 . . . . . . . . 6229 1 1565 . 1 1 372 372 GLY C C 13 172.98 0.2 . 1 . . . . . . . . 6229 1 1566 . 1 1 372 372 GLY N N 15 109.905 0.2 . 1 . . . . . . . . 6229 1 1567 . 1 1 373 373 LYS H H 1 6.82 0.01 . 1 . . . . . . . . 6229 1 1568 . 1 1 373 373 LYS CA C 13 53.184 0.2 . 1 . . . . . . . . 6229 1 1569 . 1 1 373 373 LYS C C 13 173.68 0.2 . 1 . . . . . . . . 6229 1 1570 . 1 1 373 373 LYS CB C 13 34.484 0.2 . 1 . . . . . . . . 6229 1 1571 . 1 1 373 373 LYS N N 15 116.24 0.2 . 1 . . . . . . . . 6229 1 1572 . 1 1 374 374 GLU H H 1 8.256 0.01 . 1 . . . . . . . . 6229 1 1573 . 1 1 374 374 GLU CA C 13 52.284 0.2 . 1 . . . . . . . . 6229 1 1574 . 1 1 374 374 GLU C C 13 174.58 0.2 . 1 . . . . . . . . 6229 1 1575 . 1 1 374 374 GLU CB C 13 28.784 0.2 . 1 . . . . . . . . 6229 1 1576 . 1 1 374 374 GLU N N 15 122.185 0.2 . 1 . . . . . . . . 6229 1 1577 . 1 1 381 381 PRO CA C 13 63.084 0.2 . 1 . . . . . . . . 6229 1 1578 . 1 1 381 381 PRO C C 13 176.78 0.2 . 1 . . . . . . . . 6229 1 1579 . 1 1 381 381 PRO CB C 13 31.284 0.2 . 1 . . . . . . . . 6229 1 1580 . 1 1 382 382 ASP H H 1 6.218 0.01 . 1 . . . . . . . . 6229 1 1581 . 1 1 382 382 ASP CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 1582 . 1 1 382 382 ASP C C 13 172.98 0.2 . 1 . . . . . . . . 6229 1 1583 . 1 1 382 382 ASP CB C 13 37.084 0.2 . 1 . . . . . . . . 6229 1 1584 . 1 1 382 382 ASP N N 15 115.492 0.2 . 1 . . . . . . . . 6229 1 1585 . 1 1 383 383 GLU H H 1 8.957 0.01 . 1 . . . . . . . . 6229 1 1586 . 1 1 383 383 GLU CA C 13 57.184 0.2 . 1 . . . . . . . . 6229 1 1587 . 1 1 383 383 GLU C C 13 173.88 0.2 . 1 . . . . . . . . 6229 1 1588 . 1 1 383 383 GLU CB C 13 32.084 0.2 . 1 . . . . . . . . 6229 1 1589 . 1 1 383 383 GLU N N 15 122.895 0.2 . 1 . . . . . . . . 6229 1 1590 . 1 1 384 384 VAL H H 1 7.632 0.01 . 1 . . . . . . . . 6229 1 1591 . 1 1 384 384 VAL CA C 13 60.904 0.2 . 1 . . . . . . . . 6229 1 1592 . 1 1 384 384 VAL C C 13 174.98 0.2 . 1 . . . . . . . . 6229 1 1593 . 1 1 384 384 VAL CB C 13 32.184 0.2 . 1 . . . . . . . . 6229 1 1594 . 1 1 384 384 VAL N N 15 127.917 0.2 . 1 . . . . . . . . 6229 1 1595 . 1 1 385 385 VAL H H 1 8.953 0.01 . 1 . . . . . . . . 6229 1 1596 . 1 1 385 385 VAL CA C 13 57.384 0.2 . 1 . . . . . . . . 6229 1 1597 . 1 1 385 385 VAL C C 13 172.68 0.2 . 1 . . . . . . . . 6229 1 1598 . 1 1 385 385 VAL CB C 13 32.684 0.2 . 1 . . . . . . . . 6229 1 1599 . 1 1 385 385 VAL N N 15 121.179 0.2 . 1 . . . . . . . . 6229 1 1600 . 1 1 387 387 MET CA C 13 57.084 0.2 . 1 . . . . . . . . 6229 1 1601 . 1 1 387 387 MET C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 1602 . 1 1 387 387 MET CB C 13 35.884 0.2 . 1 . . . . . . . . 6229 1 1603 . 1 1 388 388 GLY H H 1 8.087 0.01 . 1 . . . . . . . . 6229 1 1604 . 1 1 388 388 GLY CA C 13 46.584 0.2 . 1 . . . . . . . . 6229 1 1605 . 1 1 388 388 GLY C C 13 175.08 0.2 . 1 . . . . . . . . 6229 1 1606 . 1 1 388 388 GLY N N 15 107.229 0.2 . 1 . . . . . . . . 6229 1 1607 . 1 1 389 389 ALA H H 1 7.988 0.01 . 1 . . . . . . . . 6229 1 1608 . 1 1 389 389 ALA CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 1609 . 1 1 389 389 ALA C C 13 177.88 0.2 . 1 . . . . . . . . 6229 1 1610 . 1 1 389 389 ALA CB C 13 16.784 0.2 . 1 . . . . . . . . 6229 1 1611 . 1 1 389 389 ALA N N 15 124.837 0.2 . 1 . . . . . . . . 6229 1 1612 . 1 1 390 390 ALA H H 1 7.999 0.01 . 1 . . . . . . . . 6229 1 1613 . 1 1 390 390 ALA CA C 13 54.084 0.2 . 1 . . . . . . . . 6229 1 1614 . 1 1 390 390 ALA C C 13 175.38 0.2 . 1 . . . . . . . . 6229 1 1615 . 1 1 390 390 ALA CB C 13 17.084 0.2 . 1 . . . . . . . . 6229 1 1616 . 1 1 390 390 ALA N N 15 123.322 0.2 . 1 . . . . . . . . 6229 1 1617 . 1 1 391 391 ILE H H 1 7.626 0.01 . 1 . . . . . . . . 6229 1 1618 . 1 1 391 391 ILE CA C 13 65.284 0.2 . 1 . . . . . . . . 6229 1 1619 . 1 1 391 391 ILE C C 13 177.28 0.2 . 1 . . . . . . . . 6229 1 1620 . 1 1 391 391 ILE CB C 13 36.984 0.2 . 1 . . . . . . . . 6229 1 1621 . 1 1 391 391 ILE N N 15 120.912 0.2 . 1 . . . . . . . . 6229 1 1622 . 1 1 392 392 GLN H H 1 7.98 0.01 . 1 . . . . . . . . 6229 1 1623 . 1 1 392 392 GLN CA C 13 57.784 0.2 . 1 . . . . . . . . 6229 1 1624 . 1 1 392 392 GLN C C 13 177.78 0.2 . 1 . . . . . . . . 6229 1 1625 . 1 1 392 392 GLN CB C 13 27.184 0.2 . 1 . . . . . . . . 6229 1 1626 . 1 1 392 392 GLN N N 15 119.562 0.2 . 1 . . . . . . . . 6229 1 1627 . 1 1 393 393 ALA H H 1 8.332 0.01 . 1 . . . . . . . . 6229 1 1628 . 1 1 393 393 ALA CA C 13 55.084 0.2 . 1 . . . . . . . . 6229 1 1629 . 1 1 393 393 ALA C C 13 177.68 0.2 . 1 . . . . . . . . 6229 1 1630 . 1 1 393 393 ALA CB C 13 16.884 0.2 . 1 . . . . . . . . 6229 1 1631 . 1 1 393 393 ALA N N 15 123.233 0.2 . 1 . . . . . . . . 6229 1 1632 . 1 1 394 394 GLY H H 1 7.976 0.01 . 1 . . . . . . . . 6229 1 1633 . 1 1 394 394 GLY CA C 13 46.984 0.2 . 1 . . . . . . . . 6229 1 1634 . 1 1 394 394 GLY C C 13 175.88 0.2 . 1 . . . . . . . . 6229 1 1635 . 1 1 394 394 GLY N N 15 105.408 0.2 . 1 . . . . . . . . 6229 1 1636 . 1 1 395 395 VAL H H 1 8.071 0.01 . 1 . . . . . . . . 6229 1 1637 . 1 1 395 395 VAL CA C 13 65.284 0.2 . 1 . . . . . . . . 6229 1 1638 . 1 1 395 395 VAL C C 13 179.18 0.2 . 1 . . . . . . . . 6229 1 1639 . 1 1 395 395 VAL CB C 13 31.284 0.2 . 1 . . . . . . . . 6229 1 1640 . 1 1 395 395 VAL N N 15 123.953 0.2 . 1 . . . . . . . . 6229 1 1641 . 1 1 396 396 LEU H H 1 7.702 0.01 . 1 . . . . . . . . 6229 1 1642 . 1 1 396 396 LEU CA C 13 56.584 0.2 . 1 . . . . . . . . 6229 1 1643 . 1 1 396 396 LEU C C 13 178.08 0.2 . 1 . . . . . . . . 6229 1 1644 . 1 1 396 396 LEU CB C 13 40.384 0.2 . 1 . . . . . . . . 6229 1 1645 . 1 1 396 396 LEU N N 15 120.785 0.2 . 1 . . . . . . . . 6229 1 1646 . 1 1 397 397 MET H H 1 7.666 0.01 . 1 . . . . . . . . 6229 1 1647 . 1 1 397 397 MET CA C 13 54.884 0.2 . 1 . . . . . . . . 6229 1 1648 . 1 1 397 397 MET C C 13 176.28 0.2 . 1 . . . . . . . . 6229 1 1649 . 1 1 397 397 MET CB C 13 31.884 0.2 . 1 . . . . . . . . 6229 1 1650 . 1 1 397 397 MET N N 15 117.083 0.2 . 1 . . . . . . . . 6229 1 1651 . 1 1 398 398 GLY H H 1 7.669 0.01 . 1 . . . . . . . . 6229 1 1652 . 1 1 398 398 GLY CA C 13 45.284 0.2 . 1 . . . . . . . . 6229 1 1653 . 1 1 398 398 GLY C C 13 173.68 0.2 . 1 . . . . . . . . 6229 1 1654 . 1 1 398 398 GLY N N 15 108.361 0.2 . 1 . . . . . . . . 6229 1 1655 . 1 1 399 399 GLU H H 1 7.973 0.01 . 1 . . . . . . . . 6229 1 1656 . 1 1 399 399 GLU CA C 13 56.284 0.2 . 1 . . . . . . . . 6229 1 1657 . 1 1 399 399 GLU C C 13 175.38 0.2 . 1 . . . . . . . . 6229 1 1658 . 1 1 399 399 GLU CB C 13 29.584 0.2 . 1 . . . . . . . . 6229 1 1659 . 1 1 399 399 GLU N N 15 121.102 0.2 . 1 . . . . . . . . 6229 1 1660 . 1 1 400 400 VAL H H 1 7.536 0.01 . 1 . . . . . . . . 6229 1 1661 . 1 1 400 400 VAL CA C 13 61.484 0.2 . 1 . . . . . . . . 6229 1 1662 . 1 1 400 400 VAL C C 13 173.98 0.2 . 1 . . . . . . . . 6229 1 1663 . 1 1 400 400 VAL CB C 13 32.584 0.2 . 1 . . . . . . . . 6229 1 1664 . 1 1 400 400 VAL N N 15 120.82 0.2 . 1 . . . . . . . . 6229 1 1665 . 1 1 401 401 ARG H H 1 7.736 0.01 . 1 . . . . . . . . 6229 1 1666 . 1 1 401 401 ARG CA C 13 56.784 0.2 . 1 . . . . . . . . 6229 1 1667 . 1 1 401 401 ARG C C 13 178.18 0.2 . 1 . . . . . . . . 6229 1 1668 . 1 1 401 401 ARG CB C 13 30.884 0.2 . 1 . . . . . . . . 6229 1 1669 . 1 1 401 401 ARG N N 15 130.828 0.2 . 1 . . . . . . . . 6229 1 stop_ save_