data_27268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27268 _Entry.Title ; Backbone chemical shifts for the complex between WASp interacting protein (WIP) and the EVH1 domain of WASp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-01 _Entry.Accession_date 2017-10-01 _Entry.Last_release_date 2017-10-02 _Entry.Original_release_date 2017-10-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Adi Halle-Bikovski . . . . 27268 2 Hadassa Shaked . . . . 27268 3 Jordan Chill . . . . 27268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 526 27268 '15N chemical shifts' 167 27268 '1H chemical shifts' 563 27268 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 2 . . 2018-03-28 2017-10-01 update BMRB 'update entry citation' 27268 1 . . 2017-12-14 2017-10-01 original author 'original release' 27268 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29215267 _Citation.Full_citation . _Citation.Title ; New Structural Insights into Formation of the Key Actin Regulating WIP-WASp Complex Determined by NMR and Molecular Imaging ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 100 _Citation.Page_last 109 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Adi Halle-Bikovski . . . . 27268 1 2 Sophia Fried . . . . 27268 1 3 Eva Rozentur-Shkop . . . . 27268 1 4 Guy Biber . . . . 27268 1 5 Hadassa Shaked . . . . 27268 1 6 Noah Joseph . . . . 27268 1 7 Mira Baarda-Saad . . . . 27268 1 8 Jordan Chill . . . . 27268 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EVH1 domain' 27268 1 IDP 27268 1 'Structural Biology' 27268 1 WASp 27268 1 WIP 27268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27268 _Assembly.ID 1 _Assembly.Name 'WIP-WASp complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number N/A _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 WIP 1 $WIP(442-492) A . yes native no no . . . 27268 1 2 WASp 2 $WASp(20-158) B . yes native no no . . . 27268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WIP(442-492) _Entity.Sf_category entity _Entity.Sf_framecode WIP(442-492) _Entity.Entry_ID 27268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WIP(442-492) _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 ; QDSPCEDEWESRFYFHPISD LPPPEPYVQTTKSYPSKLAR NESRSGSNRRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 442,Q 443,D 444,S ..... ..... 490,R 491,R 492,E ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 442 GLN . 27268 1 2 443 ASP . 27268 1 3 444 SER . 27268 1 4 445 PRO . 27268 1 5 446 CYS . 27268 1 6 447 GLU . 27268 1 7 448 ASP . 27268 1 8 449 GLU . 27268 1 9 450 TRP . 27268 1 10 451 GLU . 27268 1 11 452 SER . 27268 1 12 453 ARG . 27268 1 13 454 PHE . 27268 1 14 455 TYR . 27268 1 15 456 PHE . 27268 1 16 457 HIS . 27268 1 17 458 PRO . 27268 1 18 459 ILE . 27268 1 19 460 SER . 27268 1 20 461 ASP . 27268 1 21 462 LEU . 27268 1 22 463 PRO . 27268 1 23 464 PRO . 27268 1 24 465 PRO . 27268 1 25 466 GLU . 27268 1 26 467 PRO . 27268 1 27 468 TYR . 27268 1 28 469 VAL . 27268 1 29 470 GLN . 27268 1 30 471 THR . 27268 1 31 472 THR . 27268 1 32 473 LYS . 27268 1 33 474 SER . 27268 1 34 475 TYR . 27268 1 35 476 PRO . 27268 1 36 477 SER . 27268 1 37 478 LYS . 27268 1 38 479 LEU . 27268 1 39 480 ALA . 27268 1 40 481 ARG . 27268 1 41 482 ASN . 27268 1 42 483 GLU . 27268 1 43 484 SER . 27268 1 44 485 ARG . 27268 1 45 486 SER . 27268 1 46 487 GLY . 27268 1 47 488 SER . 27268 1 48 489 ASN . 27268 1 49 490 ARG . 27268 1 50 491 ARG . 27268 1 51 492 GLU . 27268 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 27268 1 . ASP 2 2 27268 1 . SER 3 3 27268 1 . PRO 4 4 27268 1 . CYS 5 5 27268 1 . GLU 6 6 27268 1 . ASP 7 7 27268 1 . GLU 8 8 27268 1 . TRP 9 9 27268 1 . GLU 10 10 27268 1 . SER 11 11 27268 1 . ARG 12 12 27268 1 . PHE 13 13 27268 1 . TYR 14 14 27268 1 . PHE 15 15 27268 1 . HIS 16 16 27268 1 . PRO 17 17 27268 1 . ILE 18 18 27268 1 . SER 19 19 27268 1 . ASP 20 20 27268 1 . LEU 21 21 27268 1 . PRO 22 22 27268 1 . PRO 23 23 27268 1 . PRO 24 24 27268 1 . GLU 25 25 27268 1 . PRO 26 26 27268 1 . TYR 27 27 27268 1 . VAL 28 28 27268 1 . GLN 29 29 27268 1 . THR 30 30 27268 1 . THR 31 31 27268 1 . LYS 32 32 27268 1 . SER 33 33 27268 1 . TYR 34 34 27268 1 . PRO 35 35 27268 1 . SER 36 36 27268 1 . LYS 37 37 27268 1 . LEU 38 38 27268 1 . ALA 39 39 27268 1 . ARG 40 40 27268 1 . ASN 41 41 27268 1 . GLU 42 42 27268 1 . SER 43 43 27268 1 . ARG 44 44 27268 1 . SER 45 45 27268 1 . GLY 46 46 27268 1 . SER 47 47 27268 1 . ASN 48 48 27268 1 . ARG 49 49 27268 1 . ARG 50 50 27268 1 . GLU 51 51 27268 1 stop_ save_ save_WASp(20-158) _Entity.Sf_category entity _Entity.Sf_framecode WASp(20-158) _Entity.Entry_ID 27268 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name WASp(20-158) _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 ; QNIPSTLLQDHENQRLFEML GRKCLTLATAVVQLYLALPP GAEHWTKEHCGAVCFVKDNP QKSYFIRLYGLQAGRLLWEQ ELYSQLVYSTPTPFFHTFAG DDCQAGLNFADEDEAQAFRA LVQEKIQKRNQRQSGDRRQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Q,20 N,21 I,22 .... R,156 R,157 Q,158 ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GLN . 27268 2 2 21 ASN . 27268 2 3 22 ILE . 27268 2 4 23 PRO . 27268 2 5 24 SER . 27268 2 6 25 THR . 27268 2 7 26 LEU . 27268 2 8 27 LEU . 27268 2 9 28 GLN . 27268 2 10 29 ASP . 27268 2 11 30 HIS . 27268 2 12 31 GLU . 27268 2 13 32 ASN . 27268 2 14 33 GLN . 27268 2 15 34 ARG . 27268 2 16 35 LEU . 27268 2 17 36 PHE . 27268 2 18 37 GLU . 27268 2 19 38 MET . 27268 2 20 39 LEU . 27268 2 21 40 GLY . 27268 2 22 41 ARG . 27268 2 23 42 LYS . 27268 2 24 43 CYS . 27268 2 25 44 LEU . 27268 2 26 45 THR . 27268 2 27 46 LEU . 27268 2 28 47 ALA . 27268 2 29 48 THR . 27268 2 30 49 ALA . 27268 2 31 50 VAL . 27268 2 32 51 VAL . 27268 2 33 52 GLN . 27268 2 34 53 LEU . 27268 2 35 54 TYR . 27268 2 36 55 LEU . 27268 2 37 56 ALA . 27268 2 38 57 LEU . 27268 2 39 58 PRO . 27268 2 40 59 PRO . 27268 2 41 60 GLY . 27268 2 42 61 ALA . 27268 2 43 62 GLU . 27268 2 44 63 HIS . 27268 2 45 64 TRP . 27268 2 46 65 THR . 27268 2 47 66 LYS . 27268 2 48 67 GLU . 27268 2 49 68 HIS . 27268 2 50 69 CYS . 27268 2 51 70 GLY . 27268 2 52 71 ALA . 27268 2 53 72 VAL . 27268 2 54 73 CYS . 27268 2 55 74 PHE . 27268 2 56 75 VAL . 27268 2 57 76 LYS . 27268 2 58 77 ASP . 27268 2 59 78 ASN . 27268 2 60 79 PRO . 27268 2 61 80 GLN . 27268 2 62 81 LYS . 27268 2 63 82 SER . 27268 2 64 83 TYR . 27268 2 65 84 PHE . 27268 2 66 85 ILE . 27268 2 67 86 ARG . 27268 2 68 87 LEU . 27268 2 69 88 TYR . 27268 2 70 89 GLY . 27268 2 71 90 LEU . 27268 2 72 91 GLN . 27268 2 73 92 ALA . 27268 2 74 93 GLY . 27268 2 75 94 ARG . 27268 2 76 95 LEU . 27268 2 77 96 LEU . 27268 2 78 97 TRP . 27268 2 79 98 GLU . 27268 2 80 99 GLN . 27268 2 81 100 GLU . 27268 2 82 101 LEU . 27268 2 83 102 TYR . 27268 2 84 103 SER . 27268 2 85 104 GLN . 27268 2 86 105 LEU . 27268 2 87 106 VAL . 27268 2 88 107 TYR . 27268 2 89 108 SER . 27268 2 90 109 THR . 27268 2 91 110 PRO . 27268 2 92 111 THR . 27268 2 93 112 PRO . 27268 2 94 113 PHE . 27268 2 95 114 PHE . 27268 2 96 115 HIS . 27268 2 97 116 THR . 27268 2 98 117 PHE . 27268 2 99 118 ALA . 27268 2 100 119 GLY . 27268 2 101 120 ASP . 27268 2 102 121 ASP . 27268 2 103 122 CYS . 27268 2 104 123 GLN . 27268 2 105 124 ALA . 27268 2 106 125 GLY . 27268 2 107 126 LEU . 27268 2 108 127 ASN . 27268 2 109 128 PHE . 27268 2 110 129 ALA . 27268 2 111 130 ASP . 27268 2 112 131 GLU . 27268 2 113 132 ASP . 27268 2 114 133 GLU . 27268 2 115 134 ALA . 27268 2 116 135 GLN . 27268 2 117 136 ALA . 27268 2 118 137 PHE . 27268 2 119 138 ARG . 27268 2 120 139 ALA . 27268 2 121 140 LEU . 27268 2 122 141 VAL . 27268 2 123 142 GLN . 27268 2 124 143 GLU . 27268 2 125 144 LYS . 27268 2 126 145 ILE . 27268 2 127 146 GLN . 27268 2 128 147 LYS . 27268 2 129 148 ARG . 27268 2 130 149 ASN . 27268 2 131 150 GLN . 27268 2 132 151 ARG . 27268 2 133 152 GLN . 27268 2 134 153 SER . 27268 2 135 154 GLY . 27268 2 136 155 ASP . 27268 2 137 156 ARG . 27268 2 138 157 ARG . 27268 2 139 158 GLN . 27268 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 . GLN 1 1 27268 2 . ASN 2 2 27268 2 . ILE 3 3 27268 2 . PRO 4 4 27268 2 . SER 5 5 27268 2 . THR 6 6 27268 2 . LEU 7 7 27268 2 . LEU 8 8 27268 2 . GLN 9 9 27268 2 . ASP 10 10 27268 2 . HIS 11 11 27268 2 . GLU 12 12 27268 2 . ASN 13 13 27268 2 . GLN 14 14 27268 2 . ARG 15 15 27268 2 . LEU 16 16 27268 2 . PHE 17 17 27268 2 . GLU 18 18 27268 2 . MET 19 19 27268 2 . LEU 20 20 27268 2 . GLY 21 21 27268 2 . ARG 22 22 27268 2 . LYS 23 23 27268 2 . CYS 24 24 27268 2 . LEU 25 25 27268 2 . THR 26 26 27268 2 . LEU 27 27 27268 2 . ALA 28 28 27268 2 . THR 29 29 27268 2 . ALA 30 30 27268 2 . VAL 31 31 27268 2 . VAL 32 32 27268 2 . GLN 33 33 27268 2 . LEU 34 34 27268 2 . TYR 35 35 27268 2 . LEU 36 36 27268 2 . ALA 37 37 27268 2 . LEU 38 38 27268 2 . PRO 39 39 27268 2 . PRO 40 40 27268 2 . GLY 41 41 27268 2 . ALA 42 42 27268 2 . GLU 43 43 27268 2 . HIS 44 44 27268 2 . TRP 45 45 27268 2 . THR 46 46 27268 2 . LYS 47 47 27268 2 . GLU 48 48 27268 2 . HIS 49 49 27268 2 . CYS 50 50 27268 2 . GLY 51 51 27268 2 . ALA 52 52 27268 2 . VAL 53 53 27268 2 . CYS 54 54 27268 2 . PHE 55 55 27268 2 . VAL 56 56 27268 2 . LYS 57 57 27268 2 . ASP 58 58 27268 2 . ASN 59 59 27268 2 . PRO 60 60 27268 2 . GLN 61 61 27268 2 . LYS 62 62 27268 2 . SER 63 63 27268 2 . TYR 64 64 27268 2 . PHE 65 65 27268 2 . ILE 66 66 27268 2 . ARG 67 67 27268 2 . LEU 68 68 27268 2 . TYR 69 69 27268 2 . GLY 70 70 27268 2 . LEU 71 71 27268 2 . GLN 72 72 27268 2 . ALA 73 73 27268 2 . GLY 74 74 27268 2 . ARG 75 75 27268 2 . LEU 76 76 27268 2 . LEU 77 77 27268 2 . TRP 78 78 27268 2 . GLU 79 79 27268 2 . GLN 80 80 27268 2 . GLU 81 81 27268 2 . LEU 82 82 27268 2 . TYR 83 83 27268 2 . SER 84 84 27268 2 . GLN 85 85 27268 2 . LEU 86 86 27268 2 . VAL 87 87 27268 2 . TYR 88 88 27268 2 . SER 89 89 27268 2 . THR 90 90 27268 2 . PRO 91 91 27268 2 . THR 92 92 27268 2 . PRO 93 93 27268 2 . PHE 94 94 27268 2 . PHE 95 95 27268 2 . HIS 96 96 27268 2 . THR 97 97 27268 2 . PHE 98 98 27268 2 . ALA 99 99 27268 2 . GLY 100 100 27268 2 . ASP 101 101 27268 2 . ASP 102 102 27268 2 . CYS 103 103 27268 2 . GLN 104 104 27268 2 . ALA 105 105 27268 2 . GLY 106 106 27268 2 . LEU 107 107 27268 2 . ASN 108 108 27268 2 . PHE 109 109 27268 2 . ALA 110 110 27268 2 . ASP 111 111 27268 2 . GLU 112 112 27268 2 . ASP 113 113 27268 2 . GLU 114 114 27268 2 . ALA 115 115 27268 2 . GLN 116 116 27268 2 . ALA 117 117 27268 2 . PHE 118 118 27268 2 . ARG 119 119 27268 2 . ALA 120 120 27268 2 . LEU 121 121 27268 2 . VAL 122 122 27268 2 . GLN 123 123 27268 2 . GLU 124 124 27268 2 . LYS 125 125 27268 2 . ILE 126 126 27268 2 . GLN 127 127 27268 2 . LYS 128 128 27268 2 . ARG 129 129 27268 2 . ASN 130 130 27268 2 . GLN 131 131 27268 2 . ARG 132 132 27268 2 . GLN 133 133 27268 2 . SER 134 134 27268 2 . GLY 135 135 27268 2 . ASP 136 136 27268 2 . ARG 137 137 27268 2 . ARG 138 138 27268 2 . GLN 139 139 27268 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 27268 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $WIP(442-492) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27268 1 2 2 $WASp(20-158) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27268 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 27268 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $WIP(442-492) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27268 1 2 2 $WASp(20-158) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27268 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WIP(442-492) '[U-98% 13C; U-98% 15N]' . . 1 $WIP(442-492) . . 0.5 . . mM . . . . 27268 1 2 WASp(20-158) '[U-98% 13C; U-98% 15N]' . . 2 $WASp(20-158) . . 0.5 . . mM . . . . 27268 1 3 D2O '[U-99% 2H]' . . . . . . 7 . . % . . . . 27268 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27268 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27268 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27268 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27268 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 27268 1 pH 6.8 . pH 27268 1 pressure 1 . atm 27268 1 temperature 303 . K 27268 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27268 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27268 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27268 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27268 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 700 . . . 27268 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 27268 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27268 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27268 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27268 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27268 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27268 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27268 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 27268 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27268 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27268 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27268 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27268 1 2 '3D HNCO' . . . 27268 1 3 '3D HNCA' . . . 27268 1 4 '3D HNCACB' . . . 27268 1 5 '3D HBHA(CO)NH' . . . 27268 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN H H 1 8.20 0.01 . . . . . . . 442 GLN H . 27268 1 2 . 1 1 1 1 GLN HA H 1 4.38 0.01 . . . . . . . 442 GLN HA . 27268 1 3 . 1 1 1 1 GLN HB2 H 1 2.11 0.01 . . . . . . . 442 GLN HB2 . 27268 1 4 . 1 1 1 1 GLN HB3 H 1 1.97 0.01 . . . . . . . 442 GLN HB3 . 27268 1 5 . 1 1 1 1 GLN C C 13 175.6 0.1 . . . . . . . 442 GLN CO . 27268 1 6 . 1 1 1 1 GLN CA C 13 55.5 0.1 . . . . . . . 442 GLN CA . 27268 1 7 . 1 1 1 1 GLN CB C 13 29.4 0.1 . . . . . . . 442 GLN CB . 27268 1 8 . 1 1 1 1 GLN N N 15 119.3 0.1 . . . . . . . 442 GLN N . 27268 1 9 . 1 1 2 2 ASP H H 1 8.42 0.01 . . . . . . . 443 ASP H . 27268 1 10 . 1 1 2 2 ASP HA H 1 4.64 0.01 . . . . . . . 443 ASP HA . 27268 1 11 . 1 1 2 2 ASP HB2 H 1 2.67 0.01 . . . . . . . 443 ASP HB . 27268 1 12 . 1 1 2 2 ASP HB3 H 1 2.67 0.01 . . . . . . . 443 ASP HB . 27268 1 13 . 1 1 2 2 ASP C C 13 175.8 0.1 . . . . . . . 443 ASP CO . 27268 1 14 . 1 1 2 2 ASP CA C 13 54.4 0.1 . . . . . . . 443 ASP CA . 27268 1 15 . 1 1 2 2 ASP CB C 13 41.2 0.1 . . . . . . . 443 ASP CB . 27268 1 16 . 1 1 2 2 ASP N N 15 121.1 0.1 . . . . . . . 443 ASP N . 27268 1 17 . 1 1 3 3 SER H H 1 8.20 0.01 . . . . . . . 444 SER H . 27268 1 18 . 1 1 3 3 SER CA C 13 56.5 0.1 . . . . . . . 444 SER CA . 27268 1 19 . 1 1 3 3 SER CB C 13 63.8 0.1 . . . . . . . 444 SER CB . 27268 1 20 . 1 1 3 3 SER N N 15 116.5 0.1 . . . . . . . 444 SER N . 27268 1 21 . 1 1 4 4 PRO HA H 1 4.50 0.01 . . . . . . . 445 PRO HA . 27268 1 22 . 1 1 4 4 PRO HB2 H 1 2.30 0.01 . . . . . . . 445 PRO HB2 . 27268 1 23 . 1 1 4 4 PRO HB3 H 1 1.96 0.01 . . . . . . . 445 PRO HB3 . 27268 1 24 . 1 1 4 4 PRO C C 13 176.9 0.1 . . . . . . . 445 PRO CO . 27268 1 25 . 1 1 4 4 PRO CA C 13 63.5 0.1 . . . . . . . 445 PRO CA . 27268 1 26 . 1 1 4 4 PRO CB C 13 31.7 0.1 . . . . . . . 445 PRO CB . 27268 1 27 . 1 1 5 5 CYS H H 1 8.46 0.01 . . . . . . . 446 CYS H . 27268 1 28 . 1 1 5 5 CYS HA H 1 4.52 0.01 . . . . . . . 446 CYS HA . 27268 1 29 . 1 1 5 5 CYS HB2 H 1 3.00 0.01 . . . . . . . 446 CYS HB . 27268 1 30 . 1 1 5 5 CYS HB3 H 1 3.00 0.01 . . . . . . . 446 CYS HB . 27268 1 31 . 1 1 5 5 CYS C C 13 175.0 0.1 . . . . . . . 446 CYS CO . 27268 1 32 . 1 1 5 5 CYS CA C 13 58.6 0.1 . . . . . . . 446 CYS CA . 27268 1 33 . 1 1 5 5 CYS CB C 13 27.7 0.1 . . . . . . . 446 CYS CB . 27268 1 34 . 1 1 5 5 CYS N N 15 119.3 0.1 . . . . . . . 446 CYS N . 27268 1 35 . 1 1 6 6 GLU H H 1 8.65 0.01 . . . . . . . 447 GLU H . 27268 1 36 . 1 1 6 6 GLU C C 13 176.5 0.1 . . . . . . . 447 GLU CO . 27268 1 37 . 1 1 6 6 GLU CA C 13 57.4 0.1 . . . . . . . 447 GLU CA . 27268 1 38 . 1 1 6 6 GLU CB C 13 30.0 0.1 . . . . . . . 447 GLU CB . 27268 1 39 . 1 1 6 6 GLU N N 15 123.7 0.1 . . . . . . . 447 GLU N . 27268 1 40 . 1 1 7 7 ASP H H 1 8.36 0.01 . . . . . . . 448 ASP H . 27268 1 41 . 1 1 7 7 ASP HA H 1 4.64 0.01 . . . . . . . 448 ASP HA . 27268 1 42 . 1 1 7 7 ASP HB2 H 1 2.73 0.01 . . . . . . . 448 ASP HB . 27268 1 43 . 1 1 7 7 ASP HB3 H 1 2.73 0.01 . . . . . . . 448 ASP HB . 27268 1 44 . 1 1 7 7 ASP C C 13 177.2 0.1 . . . . . . . 448 ASP CO . 27268 1 45 . 1 1 7 7 ASP CA C 13 55.0 0.1 . . . . . . . 448 ASP CA . 27268 1 46 . 1 1 7 7 ASP CB C 13 41.5 0.1 . . . . . . . 448 ASP CB . 27268 1 47 . 1 1 7 7 ASP N N 15 120.9 0.1 . . . . . . . 448 ASP N . 27268 1 48 . 1 1 8 8 GLU H H 1 8.55 0.01 . . . . . . . 449 GLU H . 27268 1 49 . 1 1 8 8 GLU HA H 1 4.20 0.01 . . . . . . . 449 GLU HA . 27268 1 50 . 1 1 8 8 GLU HB2 H 1 2.16 0.01 . . . . . . . 449 GLU HB . 27268 1 51 . 1 1 8 8 GLU HB3 H 1 2.16 0.01 . . . . . . . 449 GLU HB . 27268 1 52 . 1 1 8 8 GLU C C 13 178.1 0.1 . . . . . . . 449 GLU CO . 27268 1 53 . 1 1 8 8 GLU CA C 13 58.3 0.1 . . . . . . . 449 GLU CA . 27268 1 54 . 1 1 8 8 GLU CB C 13 29.0 0.1 . . . . . . . 449 GLU CB . 27268 1 55 . 1 1 8 8 GLU N N 15 122.8 0.1 . . . . . . . 449 GLU N . 27268 1 56 . 1 1 9 9 TRP H H 1 8.60 0.01 . . . . . . . 450 TRP H . 27268 1 57 . 1 1 9 9 TRP HA H 1 4.30 0.01 . . . . . . . 450 TRP HA . 27268 1 58 . 1 1 9 9 TRP HB2 H 1 3.63 0.01 . . . . . . . 450 TRP HB . 27268 1 59 . 1 1 9 9 TRP HB3 H 1 3.63 0.01 . . . . . . . 450 TRP HB . 27268 1 60 . 1 1 9 9 TRP C C 13 177.2 0.1 . . . . . . . 450 TRP CO . 27268 1 61 . 1 1 9 9 TRP CA C 13 61.9 0.1 . . . . . . . 450 TRP CA . 27268 1 62 . 1 1 9 9 TRP CB C 13 29.7 0.1 . . . . . . . 450 TRP CB . 27268 1 63 . 1 1 9 9 TRP N N 15 123.7 0.1 . . . . . . . 450 TRP N . 27268 1 64 . 1 1 10 10 GLU H H 1 8.55 0.01 . . . . . . . 451 GLU H . 27268 1 65 . 1 1 10 10 GLU HA H 1 4.24 0.01 . . . . . . . 451 GLU HA . 27268 1 66 . 1 1 10 10 GLU HB2 H 1 2.30 0.01 . . . . . . . 451 GLU HB . 27268 1 67 . 1 1 10 10 GLU HB3 H 1 2.30 0.01 . . . . . . . 451 GLU HB . 27268 1 68 . 1 1 10 10 GLU C C 13 177.7 0.1 . . . . . . . 451 GLU CO . 27268 1 69 . 1 1 10 10 GLU CA C 13 59.6 0.1 . . . . . . . 451 GLU CA . 27268 1 70 . 1 1 10 10 GLU CB C 13 30.1 0.1 . . . . . . . 451 GLU CB . 27268 1 71 . 1 1 10 10 GLU N N 15 116.9 0.1 . . . . . . . 451 GLU N . 27268 1 72 . 1 1 11 11 SER H H 1 7.72 0.01 . . . . . . . 452 SER H . 27268 1 73 . 1 1 11 11 SER HA H 1 4.45 0.01 . . . . . . . 452 SER HA . 27268 1 74 . 1 1 11 11 SER HB2 H 1 4.00 0.01 . . . . . . . 452 SER HB . 27268 1 75 . 1 1 11 11 SER HB3 H 1 4.00 0.01 . . . . . . . 452 SER HB . 27268 1 76 . 1 1 11 11 SER C C 13 174.5 0.1 . . . . . . . 452 SER CO . 27268 1 77 . 1 1 11 11 SER CA C 13 59.8 0.1 . . . . . . . 452 SER CA . 27268 1 78 . 1 1 11 11 SER CB C 13 63.8 0.1 . . . . . . . 452 SER CB . 27268 1 79 . 1 1 11 11 SER N N 15 110.4 0.1 . . . . . . . 452 SER N . 27268 1 80 . 1 1 12 12 ARG H H 1 7.34 0.01 . . . . . . . 453 ARG H . 27268 1 81 . 1 1 12 12 ARG HA H 1 3.76 0.01 . . . . . . . 453 ARG HA . 27268 1 82 . 1 1 12 12 ARG HB2 H 1 0.89 0.01 . . . . . . . 453 ARG HB . 27268 1 83 . 1 1 12 12 ARG HB3 H 1 0.89 0.01 . . . . . . . 453 ARG HB . 27268 1 84 . 1 1 12 12 ARG C C 13 175.4 0.1 . . . . . . . 453 ARG CO . 27268 1 85 . 1 1 12 12 ARG CA C 13 57.4 0.1 . . . . . . . 453 ARG CA . 27268 1 86 . 1 1 12 12 ARG CB C 13 30.8 0.1 . . . . . . . 453 ARG CB . 27268 1 87 . 1 1 12 12 ARG N N 15 121.1 0.1 . . . . . . . 453 ARG N . 27268 1 88 . 1 1 13 13 PHE H H 1 7.38 0.01 . . . . . . . 454 PHE H . 27268 1 89 . 1 1 13 13 PHE HA H 1 4.38 0.01 . . . . . . . 454 PHE HA . 27268 1 90 . 1 1 13 13 PHE C C 13 173.4 0.1 . . . . . . . 454 PHE CO . 27268 1 91 . 1 1 13 13 PHE CA C 13 55.4 0.1 . . . . . . . 454 PHE CA . 27268 1 92 . 1 1 13 13 PHE CB C 13 41.1 0.1 . . . . . . . 454 PHE CB . 27268 1 93 . 1 1 13 13 PHE N N 15 116.9 0.1 . . . . . . . 454 PHE N . 27268 1 94 . 1 1 14 14 TYR H H 1 8.42 0.01 . . . . . . . 455 TYR H . 27268 1 95 . 1 1 14 14 TYR HA H 1 4.50 0.01 . . . . . . . 455 TYR HA . 27268 1 96 . 1 1 14 14 TYR HB2 H 1 2.75 0.01 . . . . . . . 455 TYR HB . 27268 1 97 . 1 1 14 14 TYR HB3 H 1 2.75 0.01 . . . . . . . 455 TYR HB . 27268 1 98 . 1 1 14 14 TYR C C 13 173.3 0.1 . . . . . . . 455 TYR CO . 27268 1 99 . 1 1 14 14 TYR CA C 13 57.3 0.1 . . . . . . . 455 TYR CA . 27268 1 100 . 1 1 14 14 TYR CB C 13 38.9 0.1 . . . . . . . 455 TYR CB . 27268 1 101 . 1 1 14 14 TYR N N 15 121.1 0.1 . . . . . . . 455 TYR N . 27268 1 102 . 1 1 15 15 PHE H H 1 7.32 0.01 . . . . . . . 456 PHE H . 27268 1 103 . 1 1 15 15 PHE HA H 1 4.34 0.01 . . . . . . . 456 PHE HA . 27268 1 104 . 1 1 15 15 PHE C C 13 175.2 0.1 . . . . . . . 456 PHE CO . 27268 1 105 . 1 1 15 15 PHE CA C 13 55.6 0.1 . . . . . . . 456 PHE CA . 27268 1 106 . 1 1 15 15 PHE CB C 13 41.5 0.1 . . . . . . . 456 PHE CB . 27268 1 107 . 1 1 15 15 PHE N N 15 121.7 0.1 . . . . . . . 456 PHE N . 27268 1 108 . 1 1 16 16 HIS H H 1 9.51 0.01 . . . . . . . 457 HIS H . 27268 1 109 . 1 1 16 16 HIS CA C 13 55.4 0.1 . . . . . . . 457 HIS CA . 27268 1 110 . 1 1 16 16 HIS CB C 13 26.8 0.1 . . . . . . . 457 HIS CB . 27268 1 111 . 1 1 16 16 HIS N N 15 120.6 0.1 . . . . . . . 457 HIS N . 27268 1 112 . 1 1 17 17 PRO HA H 1 4.56 0.01 . . . . . . . 458 PRO HA . 27268 1 113 . 1 1 17 17 PRO HB2 H 1 2.31 0.01 . . . . . . . 458 PRO HB2 . 27268 1 114 . 1 1 17 17 PRO HB3 H 1 2.24 0.01 . . . . . . . 458 PRO HB3 . 27268 1 115 . 1 1 17 17 PRO C C 13 177.0 0.1 . . . . . . . 458 PRO CO . 27268 1 116 . 1 1 17 17 PRO CA C 13 61.7 0.1 . . . . . . . 458 PRO CA . 27268 1 117 . 1 1 17 17 PRO CB C 13 33.4 0.1 . . . . . . . 458 PRO CB . 27268 1 118 . 1 1 18 18 ILE H H 1 8.54 0.01 . . . . . . . 459 ILE H . 27268 1 119 . 1 1 18 18 ILE HA H 1 3.62 0.01 . . . . . . . 459 ILE HA . 27268 1 120 . 1 1 18 18 ILE HB H 1 1.94 0.01 . . . . . . . 459 ILE HB . 27268 1 121 . 1 1 18 18 ILE C C 13 177.0 0.1 . . . . . . . 459 ILE CO . 27268 1 122 . 1 1 18 18 ILE CA C 13 63.8 0.1 . . . . . . . 459 ILE CA . 27268 1 123 . 1 1 18 18 ILE CB C 13 38.5 0.1 . . . . . . . 459 ILE CB . 27268 1 124 . 1 1 18 18 ILE N N 15 118.9 0.1 . . . . . . . 459 ILE N . 27268 1 125 . 1 1 19 19 SER H H 1 7.50 0.01 . . . . . . . 460 SER H . 27268 1 126 . 1 1 19 19 SER HA H 1 4.24 0.01 . . . . . . . 460 SER HA . 27268 1 127 . 1 1 19 19 SER HB2 H 1 4.08 0.01 . . . . . . . 460 SER HB2 . 27268 1 128 . 1 1 19 19 SER HB3 H 1 3.86 0.01 . . . . . . . 460 SER HB3 . 27268 1 129 . 1 1 19 19 SER C C 13 175.3 0.1 . . . . . . . 460 SER CO . 27268 1 130 . 1 1 19 19 SER CA C 13 59.8 0.1 . . . . . . . 460 SER CA . 27268 1 131 . 1 1 19 19 SER CB C 13 62.7 0.1 . . . . . . . 460 SER CB . 27268 1 132 . 1 1 19 19 SER N N 15 113.4 0.1 . . . . . . . 460 SER N . 27268 1 133 . 1 1 20 20 ASP H H 1 7.98 0.01 . . . . . . . 461 ASP H . 27268 1 134 . 1 1 20 20 ASP HA H 1 4.82 0.01 . . . . . . . 461 ASP HA . 27268 1 135 . 1 1 20 20 ASP HB2 H 1 3.00 0.01 . . . . . . . 461 ASP HB2 . 27268 1 136 . 1 1 20 20 ASP HB3 H 1 2.84 0.01 . . . . . . . 461 ASP HB3 . 27268 1 137 . 1 1 20 20 ASP C C 13 175.7 0.1 . . . . . . . 461 ASP CO . 27268 1 138 . 1 1 20 20 ASP CA C 13 54.2 0.1 . . . . . . . 461 ASP CA . 27268 1 139 . 1 1 20 20 ASP CB C 13 41.9 0.1 . . . . . . . 461 ASP CB . 27268 1 140 . 1 1 20 20 ASP N N 15 121.3 0.1 . . . . . . . 461 ASP N . 27268 1 141 . 1 1 21 21 LEU H H 1 7.43 0.01 . . . . . . . 462 LEU H . 27268 1 142 . 1 1 21 21 LEU CA C 13 51.9 0.1 . . . . . . . 462 LEU CA . 27268 1 143 . 1 1 21 21 LEU CB C 13 37.3 0.1 . . . . . . . 462 LEU CB . 27268 1 144 . 1 1 21 21 LEU N N 15 120.2 0.1 . . . . . . . 462 LEU N . 27268 1 145 . 1 1 24 24 PRO HA H 1 4.17 0.01 . . . . . . . 465 PRO HA . 27268 1 146 . 1 1 24 24 PRO HB2 H 1 2.16 0.01 . . . . . . . 465 PRO HB . 27268 1 147 . 1 1 24 24 PRO HB3 H 1 2.16 0.01 . . . . . . . 465 PRO HB . 27268 1 148 . 1 1 24 24 PRO C C 13 177.0 0.1 . . . . . . . 465 PRO CO . 27268 1 149 . 1 1 24 24 PRO CA C 13 61.7 0.1 . . . . . . . 465 PRO CA . 27268 1 150 . 1 1 24 24 PRO CB C 13 30.0 0.1 . . . . . . . 465 PRO CB . 27268 1 151 . 1 1 25 25 GLU H H 1 8.58 0.01 . . . . . . . 466 GLU H . 27268 1 152 . 1 1 25 25 GLU CA C 13 54.8 0.1 . . . . . . . 466 GLU CA . 27268 1 153 . 1 1 25 25 GLU CB C 13 28.6 0.1 . . . . . . . 466 GLU CB . 27268 1 154 . 1 1 25 25 GLU N N 15 123.3 0.1 . . . . . . . 466 GLU N . 27268 1 155 . 1 1 26 26 PRO HA H 1 4.32 0.01 . . . . . . . 467 PRO HA . 27268 1 156 . 1 1 26 26 PRO HB2 H 1 2.27 0.01 . . . . . . . 467 PRO HB2 . 27268 1 157 . 1 1 26 26 PRO HB3 H 1 1.73 0.01 . . . . . . . 467 PRO HB3 . 27268 1 158 . 1 1 26 26 PRO C C 13 176.1 0.1 . . . . . . . 467 PRO CO . 27268 1 159 . 1 1 26 26 PRO CA C 13 63.3 0.1 . . . . . . . 467 PRO CA . 27268 1 160 . 1 1 26 26 PRO CB C 13 31.7 0.1 . . . . . . . 467 PRO CB . 27268 1 161 . 1 1 27 27 TYR H H 1 7.84 0.01 . . . . . . . 468 TYR H . 27268 1 162 . 1 1 27 27 TYR HA H 1 4.68 0.01 . . . . . . . 468 TYR HA . 27268 1 163 . 1 1 27 27 TYR HB2 H 1 2.96 0.01 . . . . . . . 468 TYR HB2 . 27268 1 164 . 1 1 27 27 TYR HB3 H 1 2.75 0.01 . . . . . . . 468 TYR HB3 . 27268 1 165 . 1 1 27 27 TYR C C 13 174.0 0.1 . . . . . . . 468 TYR CO . 27268 1 166 . 1 1 27 27 TYR CA C 13 57.7 0.1 . . . . . . . 468 TYR CA . 27268 1 167 . 1 1 27 27 TYR CB C 13 42.0 0.1 . . . . . . . 468 TYR CB . 27268 1 168 . 1 1 27 27 TYR N N 15 124.6 0.1 . . . . . . . 468 TYR N . 27268 1 169 . 1 1 28 28 VAL H H 1 7.73 0.01 . . . . . . . 469 VAL H . 27268 1 170 . 1 1 28 28 VAL HA H 1 4.07 0.01 . . . . . . . 469 VAL HA . 27268 1 171 . 1 1 28 28 VAL HB H 1 1.82 0.01 . . . . . . . 469 VAL HB . 27268 1 172 . 1 1 28 28 VAL C C 13 174.2 0.1 . . . . . . . 469 VAL CO . 27268 1 173 . 1 1 28 28 VAL CA C 13 60.2 0.1 . . . . . . . 469 VAL CA . 27268 1 174 . 1 1 28 28 VAL CB C 13 34.5 0.1 . . . . . . . 469 VAL CB . 27268 1 175 . 1 1 28 28 VAL N N 15 127.4 0.1 . . . . . . . 469 VAL N . 27268 1 176 . 1 1 29 29 GLN H H 1 8.47 0.01 . . . . . . . 470 GLN H . 27268 1 177 . 1 1 29 29 GLN HA H 1 4.10 0.01 . . . . . . . 470 GLN HA . 27268 1 178 . 1 1 29 29 GLN HB2 H 1 2.03 0.01 . . . . . . . 470 GLN HB . 27268 1 179 . 1 1 29 29 GLN HB3 H 1 2.03 0.01 . . . . . . . 470 GLN HB . 27268 1 180 . 1 1 29 29 GLN C C 13 175.5 0.1 . . . . . . . 470 GLN CO . 27268 1 181 . 1 1 29 29 GLN CA C 13 56.3 0.1 . . . . . . . 470 GLN CA . 27268 1 182 . 1 1 29 29 GLN CB C 13 28.5 0.1 . . . . . . . 470 GLN CB . 27268 1 183 . 1 1 29 29 GLN N N 15 125.2 0.1 . . . . . . . 470 GLN N . 27268 1 184 . 1 1 30 30 THR H H 1 7.79 0.01 . . . . . . . 471 THR H . 27268 1 185 . 1 1 30 30 THR HA H 1 4.14 0.01 . . . . . . . 471 THR HA . 27268 1 186 . 1 1 30 30 THR C C 13 174.2 0.1 . . . . . . . 471 THR CO . 27268 1 187 . 1 1 30 30 THR CA C 13 60.5 0.1 . . . . . . . 471 THR CA . 27268 1 188 . 1 1 30 30 THR CB C 13 72.2 0.1 . . . . . . . 471 THR CB . 27268 1 189 . 1 1 30 30 THR N N 15 116.7 0.1 . . . . . . . 471 THR N . 27268 1 190 . 1 1 31 31 THR H H 1 8.42 0.01 . . . . . . . 472 THR H . 27268 1 191 . 1 1 31 31 THR HA H 1 4.56 0.01 . . . . . . . 472 THR HA . 27268 1 192 . 1 1 31 31 THR C C 13 174.0 0.1 . . . . . . . 472 THR CO . 27268 1 193 . 1 1 31 31 THR CA C 13 63.7 0.1 . . . . . . . 472 THR CA . 27268 1 194 . 1 1 31 31 THR CB C 13 69.3 0.1 . . . . . . . 472 THR CB . 27268 1 195 . 1 1 31 31 THR N N 15 119.1 0.1 . . . . . . . 472 THR N . 27268 1 196 . 1 1 32 32 LYS H H 1 8.40 0.01 . . . . . . . 473 LYS H . 27268 1 197 . 1 1 32 32 LYS HA H 1 4.31 0.01 . . . . . . . 473 LYS HA . 27268 1 198 . 1 1 32 32 LYS C C 13 175.0 0.1 . . . . . . . 473 LYS CO . 27268 1 199 . 1 1 32 32 LYS CA C 13 55.5 0.1 . . . . . . . 473 LYS CA . 27268 1 200 . 1 1 32 32 LYS CB C 13 35.6 0.1 . . . . . . . 473 LYS CB . 27268 1 201 . 1 1 32 32 LYS N N 15 127.4 0.1 . . . . . . . 473 LYS N . 27268 1 202 . 1 1 33 33 SER H H 1 9.13 0.01 . . . . . . . 474 SER H . 27268 1 203 . 1 1 33 33 SER HA H 1 4.85 0.01 . . . . . . . 474 SER HA . 27268 1 204 . 1 1 33 33 SER HB2 H 1 3.86 0.01 . . . . . . . 474 SER HB . 27268 1 205 . 1 1 33 33 SER HB3 H 1 3.86 0.01 . . . . . . . 474 SER HB . 27268 1 206 . 1 1 33 33 SER C C 13 172.9 0.1 . . . . . . . 474 SER CO . 27268 1 207 . 1 1 33 33 SER CA C 13 56.6 0.1 . . . . . . . 474 SER CA . 27268 1 208 . 1 1 33 33 SER CB C 13 63.5 0.1 . . . . . . . 474 SER CB . 27268 1 209 . 1 1 33 33 SER N N 15 117.8 0.1 . . . . . . . 474 SER N . 27268 1 210 . 1 1 34 34 TYR H H 1 8.94 0.01 . . . . . . . 475 TYR H . 27268 1 211 . 1 1 34 34 TYR CA C 13 56.2 0.1 . . . . . . . 475 TYR CA . 27268 1 212 . 1 1 34 34 TYR CB C 13 38.6 0.1 . . . . . . . 475 TYR CB . 27268 1 213 . 1 1 34 34 TYR N N 15 125.9 0.1 . . . . . . . 475 TYR N . 27268 1 214 . 1 1 35 35 PRO HA H 1 4.29 0.01 . . . . . . . 476 PRO HA . 27268 1 215 . 1 1 35 35 PRO HB2 H 1 2.20 0.01 . . . . . . . 476 PRO HB . 27268 1 216 . 1 1 35 35 PRO HB3 H 1 2.20 0.01 . . . . . . . 476 PRO HB . 27268 1 217 . 1 1 35 35 PRO C C 13 178.7 0.1 . . . . . . . 476 PRO CO . 27268 1 218 . 1 1 35 35 PRO CA C 13 65.9 0.1 . . . . . . . 476 PRO CA . 27268 1 219 . 1 1 35 35 PRO CB C 13 32.1 0.1 . . . . . . . 476 PRO CB . 27268 1 220 . 1 1 36 36 SER H H 1 10.00 0.01 . . . . . . . 477 SER H . 27268 1 221 . 1 1 36 36 SER HA H 1 4.43 0.01 . . . . . . . 477 SER HA . 27268 1 222 . 1 1 36 36 SER C C 13 176.7 0.1 . . . . . . . 477 SER CO . 27268 1 223 . 1 1 36 36 SER CA C 13 60.5 0.1 . . . . . . . 477 SER CA . 27268 1 224 . 1 1 36 36 SER CB C 13 62.2 0.1 . . . . . . . 477 SER CB . 27268 1 225 . 1 1 36 36 SER N N 15 113.6 0.1 . . . . . . . 477 SER N . 27268 1 226 . 1 1 37 37 LYS H H 1 7.67 0.01 . . . . . . . 478 LYS H . 27268 1 227 . 1 1 37 37 LYS HA H 1 4.36 0.01 . . . . . . . 478 LYS HA . 27268 1 228 . 1 1 37 37 LYS HB2 H 1 2.08 0.01 . . . . . . . 478 LYS HB . 27268 1 229 . 1 1 37 37 LYS HB3 H 1 2.08 0.01 . . . . . . . 478 LYS HB . 27268 1 230 . 1 1 37 37 LYS C C 13 178.1 0.1 . . . . . . . 478 LYS CO . 27268 1 231 . 1 1 37 37 LYS CA C 13 57.0 0.1 . . . . . . . 478 LYS CA . 27268 1 232 . 1 1 37 37 LYS CB C 13 32.6 0.1 . . . . . . . 478 LYS CB . 27268 1 233 . 1 1 37 37 LYS N N 15 122.2 0.1 . . . . . . . 478 LYS N . 27268 1 234 . 1 1 38 38 LEU H H 1 7.76 0.01 . . . . . . . 479 LEU H . 27268 1 235 . 1 1 38 38 LEU HA H 1 4.30 0.01 . . . . . . . 479 LEU HA . 27268 1 236 . 1 1 38 38 LEU HB2 H 1 1.74 0.01 . . . . . . . 479 LEU HB . 27268 1 237 . 1 1 38 38 LEU HB3 H 1 1.74 0.01 . . . . . . . 479 LEU HB . 27268 1 238 . 1 1 38 38 LEU C C 13 178.2 0.1 . . . . . . . 479 LEU CO . 27268 1 239 . 1 1 38 38 LEU CA C 13 56.6 0.1 . . . . . . . 479 LEU CA . 27268 1 240 . 1 1 38 38 LEU CB C 13 42.1 0.1 . . . . . . . 479 LEU CB . 27268 1 241 . 1 1 38 38 LEU N N 15 120.6 0.1 . . . . . . . 479 LEU N . 27268 1 242 . 1 1 39 39 ALA H H 1 8.01 0.01 . . . . . . . 480 ALA H . 27268 1 243 . 1 1 39 39 ALA HA H 1 4.30 0.01 . . . . . . . 480 ALA HA . 27268 1 244 . 1 1 39 39 ALA HB1 H 1 1.45 0.01 . . . . . . . 480 ALA HB . 27268 1 245 . 1 1 39 39 ALA HB2 H 1 1.45 0.01 . . . . . . . 480 ALA HB . 27268 1 246 . 1 1 39 39 ALA HB3 H 1 1.45 0.01 . . . . . . . 480 ALA HB . 27268 1 247 . 1 1 39 39 ALA C C 13 178.2 0.1 . . . . . . . 480 ALA CO . 27268 1 248 . 1 1 39 39 ALA CA C 13 53.2 0.1 . . . . . . . 480 ALA CA . 27268 1 249 . 1 1 39 39 ALA CB C 13 18.4 0.1 . . . . . . . 480 ALA CB . 27268 1 250 . 1 1 39 39 ALA N N 15 122.0 0.1 . . . . . . . 480 ALA N . 27268 1 251 . 1 1 40 40 ARG H H 1 7.87 0.01 . . . . . . . 481 ARG H . 27268 1 252 . 1 1 40 40 ARG HA H 1 4.38 0.01 . . . . . . . 481 ARG HA . 27268 1 253 . 1 1 40 40 ARG HB2 H 1 1.35 0.01 . . . . . . . 481 ARG HB . 27268 1 254 . 1 1 40 40 ARG HB3 H 1 1.35 0.01 . . . . . . . 481 ARG HB . 27268 1 255 . 1 1 40 40 ARG C C 13 175.0 0.1 . . . . . . . 481 ARG CO . 27268 1 256 . 1 1 40 40 ARG CA C 13 56.5 0.1 . . . . . . . 481 ARG CA . 27268 1 257 . 1 1 40 40 ARG CB C 13 30.9 0.1 . . . . . . . 481 ARG CB . 27268 1 258 . 1 1 40 40 ARG N N 15 118.5 0.1 . . . . . . . 481 ARG N . 27268 1 259 . 1 1 41 41 ASN H H 1 6.96 0.01 . . . . . . . 482 ASN H . 27268 1 260 . 1 1 41 41 ASN HA H 1 5.02 0.01 . . . . . . . 482 ASN HA . 27268 1 261 . 1 1 41 41 ASN HB2 H 1 2.88 0.01 . . . . . . . 482 ASN HB2 . 27268 1 262 . 1 1 41 41 ASN HB3 H 1 2.21 0.01 . . . . . . . 482 ASN HB3 . 27268 1 263 . 1 1 41 41 ASN C C 13 173.9 0.1 . . . . . . . 482 ASN CO . 27268 1 264 . 1 1 41 41 ASN CA C 13 54.7 0.1 . . . . . . . 482 ASN CA . 27268 1 265 . 1 1 41 41 ASN CB C 13 38.9 0.1 . . . . . . . 482 ASN CB . 27268 1 266 . 1 1 41 41 ASN N N 15 110.1 0.1 . . . . . . . 482 ASN N . 27268 1 267 . 1 1 42 42 GLU H H 1 8.73 0.01 . . . . . . . 483 GLU H . 27268 1 268 . 1 1 42 42 GLU HA H 1 4.40 0.01 . . . . . . . 483 GLU HA . 27268 1 269 . 1 1 42 42 GLU HB2 H 1 2.04 0.01 . . . . . . . 483 GLU HB . 27268 1 270 . 1 1 42 42 GLU HB3 H 1 2.04 0.01 . . . . . . . 483 GLU HB . 27268 1 271 . 1 1 42 42 GLU C C 13 176.7 0.1 . . . . . . . 483 GLU CO . 27268 1 272 . 1 1 42 42 GLU CA C 13 56.9 0.1 . . . . . . . 483 GLU CA . 27268 1 273 . 1 1 42 42 GLU CB C 13 30.1 0.1 . . . . . . . 483 GLU CB . 27268 1 274 . 1 1 42 42 GLU N N 15 120.0 0.1 . . . . . . . 483 GLU N . 27268 1 275 . 1 1 43 43 SER H H 1 8.32 0.01 . . . . . . . 484 SER H . 27268 1 276 . 1 1 43 43 SER CA C 13 58.7 0.1 . . . . . . . 484 SER CA . 27268 1 277 . 1 1 43 43 SER CB C 13 63.9 0.1 . . . . . . . 484 SER CB . 27268 1 278 . 1 1 43 43 SER N N 15 116.5 0.1 . . . . . . . 484 SER N . 27268 1 279 . 1 1 45 45 SER HA H 1 4.47 0.01 . . . . . . . 486 SER HA . 27268 1 280 . 1 1 45 45 SER HB2 H 1 3.91 0.01 . . . . . . . 486 SER HB . 27268 1 281 . 1 1 45 45 SER HB3 H 1 3.91 0.01 . . . . . . . 486 SER HB . 27268 1 282 . 1 1 45 45 SER C C 13 175.1 0.1 . . . . . . . 486 SER CO . 27268 1 283 . 1 1 45 45 SER CA C 13 58.6 0.1 . . . . . . . 486 SER CA . 27268 1 284 . 1 1 45 45 SER CB C 13 63.9 0.1 . . . . . . . 486 SER CB . 27268 1 285 . 1 1 46 46 GLY H H 1 8.42 0.01 . . . . . . . 487 GLY H . 27268 1 286 . 1 1 46 46 GLY HA2 H 1 4.04 0.01 . . . . . . . 487 GLY HA . 27268 1 287 . 1 1 46 46 GLY HA3 H 1 4.04 0.01 . . . . . . . 487 GLY HA . 27268 1 288 . 1 1 46 46 GLY C C 13 173.4 0.1 . . . . . . . 487 GLY CO . 27268 1 289 . 1 1 46 46 GLY CA C 13 45.5 0.1 . . . . . . . 487 GLY CA . 27268 1 290 . 1 1 46 46 GLY N N 15 110.6 0.1 . . . . . . . 487 GLY N . 27268 1 291 . 1 1 47 47 SER H H 1 7.90 0.01 . . . . . . . 488 SER H . 27268 1 292 . 1 1 47 47 SER C C 13 174.9 0.1 . . . . . . . 488 SER CO . 27268 1 293 . 1 1 47 47 SER CA C 13 60.1 0.1 . . . . . . . 488 SER CA . 27268 1 294 . 1 1 47 47 SER CB C 13 65.0 0.1 . . . . . . . 488 SER CB . 27268 1 295 . 1 1 47 47 SER N N 15 121.1 0.1 . . . . . . . 488 SER N . 27268 1 296 . 1 1 48 48 ASN HA H 1 4.31 0.01 . . . . . . . 489 ASN HA . 27268 1 297 . 1 1 48 48 ASN HB2 H 1 2.14 0.01 . . . . . . . 489 ASN HB . 27268 1 298 . 1 1 48 48 ASN HB3 H 1 2.14 0.01 . . . . . . . 489 ASN HB . 27268 1 299 . 1 1 48 48 ASN C C 13 174.9 0.1 . . . . . . . 489 ASN CO . 27268 1 300 . 1 1 48 48 ASN CA C 13 53.50 0.1 . . . . . . . 489 ASN CA . 27268 1 301 . 1 1 48 48 ASN CB C 13 38.80 0.1 . . . . . . . 489 ASN CB . 27268 1 302 . 1 1 49 49 ARG H H 1 8.19 0.01 . . . . . . . 490 ARG H . 27268 1 303 . 1 1 49 49 ARG HA H 1 4.37 0.01 . . . . . . . 490 ARG HA . 27268 1 304 . 1 1 49 49 ARG HB2 H 1 1.82 0.01 . . . . . . . 490 ARG HB . 27268 1 305 . 1 1 49 49 ARG HB3 H 1 1.82 0.01 . . . . . . . 490 ARG HB . 27268 1 306 . 1 1 49 49 ARG C C 13 175.9 0.1 . . . . . . . 490 ARG CO . 27268 1 307 . 1 1 49 49 ARG CA C 13 56.3 0.1 . . . . . . . 490 ARG CA . 27268 1 308 . 1 1 49 49 ARG CB C 13 30.5 0.1 . . . . . . . 490 ARG CB . 27268 1 309 . 1 1 49 49 ARG N N 15 121.1 0.1 . . . . . . . 490 ARG N . 27268 1 310 . 1 1 50 50 ARG H H 1 8.44 0.01 . . . . . . . 491 ARG H . 27268 1 311 . 1 1 50 50 ARG HA H 1 4.38 0.01 . . . . . . . 491 ARG HA . 27268 1 312 . 1 1 50 50 ARG HB2 H 1 1.84 0.01 . . . . . . . 491 ARG HB . 27268 1 313 . 1 1 50 50 ARG HB3 H 1 1.84 0.01 . . . . . . . 491 ARG HB . 27268 1 314 . 1 1 50 50 ARG C C 13 175.2 0.1 . . . . . . . 491 ARG CO . 27268 1 315 . 1 1 50 50 ARG CA C 13 56.2 0.1 . . . . . . . 491 ARG CA . 27268 1 316 . 1 1 50 50 ARG CB C 13 30.7 0.1 . . . . . . . 491 ARG CB . 27268 1 317 . 1 1 50 50 ARG N N 15 123.3 0.1 . . . . . . . 491 ARG N . 27268 1 318 . 1 1 51 51 GLU H H 1 8.01 0.01 . . . . . . . 492 GLU H . 27268 1 319 . 1 1 51 51 GLU CA C 13 58.1 0.1 . . . . . . . 492 GLU CA . 27268 1 320 . 1 1 51 51 GLU CB C 13 30.8 0.1 . . . . . . . 492 GLU CB . 27268 1 321 . 1 1 51 51 GLU N N 15 127.0 0.1 . . . . . . . 492 GLU N . 27268 1 322 . 2 2 1 1 GLN H H 1 7.79 0.01 . . . . . . . 20 GLN H . 27268 1 323 . 2 2 1 1 GLN HA H 1 4.45 0.01 . . . . . . . 20 GLN HA . 27268 1 324 . 2 2 1 1 GLN HB2 H 1 2.02 0.01 . . . . . . . 20 GLN HB2 . 27268 1 325 . 2 2 1 1 GLN HB3 H 1 1.87 0.01 . . . . . . . 20 GLN HB3 . 27268 1 326 . 2 2 1 1 GLN C C 13 174.4 0.1 . . . . . . . 20 GLN CO . 27268 1 327 . 2 2 1 1 GLN CA C 13 54.2 0.1 . . . . . . . 20 GLN CA . 27268 1 328 . 2 2 1 1 GLN CB C 13 31.4 0.1 . . . . . . . 20 GLN CB . 27268 1 329 . 2 2 1 1 GLN N N 15 118.2 0.1 . . . . . . . 20 GLN N . 27268 1 330 . 2 2 2 2 ASN H H 1 7.94 0.01 . . . . . . . 21 ASN H . 27268 1 331 . 2 2 2 2 ASN HA H 1 4.71 0.01 . . . . . . . 21 ASN HA . 27268 1 332 . 2 2 2 2 ASN HB2 H 1 2.86 0.01 . . . . . . . 21 ASN HB . 27268 1 333 . 2 2 2 2 ASN HB3 H 1 2.86 0.01 . . . . . . . 21 ASN HB . 27268 1 334 . 2 2 2 2 ASN C C 13 175.5 0.1 . . . . . . . 21 ASN CO . 27268 1 335 . 2 2 2 2 ASN CA C 13 54.2 0.1 . . . . . . . 21 ASN CA . 27268 1 336 . 2 2 2 2 ASN CB C 13 38.8 0.1 . . . . . . . 21 ASN CB . 27268 1 337 . 2 2 2 2 ASN N N 15 119.3 0.1 . . . . . . . 21 ASN N . 27268 1 338 . 2 2 3 3 ILE H H 1 8.35 0.01 . . . . . . . 22 ILE H . 27268 1 339 . 2 2 3 3 ILE CA C 13 57.0 0.1 . . . . . . . 22 ILE CA . 27268 1 340 . 2 2 3 3 ILE CB C 13 41.3 0.1 . . . . . . . 22 ILE CB . 27268 1 341 . 2 2 3 3 ILE N N 15 121.1 0.1 . . . . . . . 22 ILE N . 27268 1 342 . 2 2 4 4 PRO HA H 1 4.72 0.01 . . . . . . . 23 PRO HA . 27268 1 343 . 2 2 4 4 PRO HB2 H 1 2.10 0.01 . . . . . . . 23 PRO HB . 27268 1 344 . 2 2 4 4 PRO HB3 H 1 2.10 0.01 . . . . . . . 23 PRO HB . 27268 1 345 . 2 2 4 4 PRO C C 13 177.7 0.1 . . . . . . . 23 PRO CO . 27268 1 346 . 2 2 4 4 PRO CA C 13 62.2 0.1 . . . . . . . 23 PRO CA . 27268 1 347 . 2 2 4 4 PRO CB C 13 33.1 0.1 . . . . . . . 23 PRO CB . 27268 1 348 . 2 2 5 5 SER H H 1 8.70 0.01 . . . . . . . 24 SER H . 27268 1 349 . 2 2 5 5 SER HA H 1 5.00 0.01 . . . . . . . 24 SER HA . 27268 1 350 . 2 2 5 5 SER HB2 H 1 3.52 0.01 . . . . . . . 24 SER HB . 27268 1 351 . 2 2 5 5 SER HB3 H 1 3.52 0.01 . . . . . . . 24 SER HB . 27268 1 352 . 2 2 5 5 SER C C 13 178.1 0.1 . . . . . . . 24 SER CO . 27268 1 353 . 2 2 5 5 SER CA C 13 57.4 0.1 . . . . . . . 24 SER CA . 27268 1 354 . 2 2 5 5 SER CB C 13 64.3 0.1 . . . . . . . 24 SER CB . 27268 1 355 . 2 2 5 5 SER N N 15 113.0 0.1 . . . . . . . 24 SER N . 27268 1 356 . 2 2 6 6 THR H H 1 9.50 0.01 . . . . . . . 25 THR H . 27268 1 357 . 2 2 6 6 THR HA H 1 4.45 0.01 . . . . . . . 25 THR HA . 27268 1 358 . 2 2 6 6 THR HB H 1 3.00 0.01 . . . . . . . 25 THR HB . 27268 1 359 . 2 2 6 6 THR C C 13 175.0 0.1 . . . . . . . 25 THR CO . 27268 1 360 . 2 2 6 6 THR CA C 13 63.9 0.1 . . . . . . . 25 THR CA . 27268 1 361 . 2 2 6 6 THR CB C 13 69.0 0.1 . . . . . . . 25 THR CB . 27268 1 362 . 2 2 6 6 THR N N 15 123.0 0.1 . . . . . . . 25 THR N . 27268 1 363 . 2 2 7 7 LEU H H 1 8.06 0.01 . . . . . . . 26 LEU H . 27268 1 364 . 2 2 7 7 LEU HA H 1 4.27 0.01 . . . . . . . 26 LEU HA . 27268 1 365 . 2 2 7 7 LEU HB2 H 1 1.55 0.01 . . . . . . . 26 LEU HB . 27268 1 366 . 2 2 7 7 LEU HB3 H 1 1.55 0.01 . . . . . . . 26 LEU HB . 27268 1 367 . 2 2 7 7 LEU C C 13 177.5 0.1 . . . . . . . 26 LEU CO . 27268 1 368 . 2 2 7 7 LEU CA C 13 56.1 0.1 . . . . . . . 26 LEU CA . 27268 1 369 . 2 2 7 7 LEU CB C 13 43.0 0.1 . . . . . . . 26 LEU CB . 27268 1 370 . 2 2 7 7 LEU N N 15 122.8 0.1 . . . . . . . 26 LEU N . 27268 1 371 . 2 2 8 8 LEU H H 1 6.94 0.01 . . . . . . . 27 LEU H . 27268 1 372 . 2 2 8 8 LEU HA H 1 4.50 0.01 . . . . . . . 27 LEU HA . 27268 1 373 . 2 2 8 8 LEU HB2 H 1 1.74 0.01 . . . . . . . 27 LEU HB2 . 27268 1 374 . 2 2 8 8 LEU HB3 H 1 1.55 0.01 . . . . . . . 27 LEU HB3 . 27268 1 375 . 2 2 8 8 LEU C C 13 176.7 0.1 . . . . . . . 27 LEU CO . 27268 1 376 . 2 2 8 8 LEU CA C 13 53.1 0.1 . . . . . . . 27 LEU CA . 27268 1 377 . 2 2 8 8 LEU CB C 13 42.4 0.1 . . . . . . . 27 LEU CB . 27268 1 378 . 2 2 8 8 LEU N N 15 117.8 0.1 . . . . . . . 27 LEU N . 27268 1 379 . 2 2 9 9 GLN H H 1 9.29 0.01 . . . . . . . 28 GLN H . 27268 1 380 . 2 2 9 9 GLN CA C 13 55.2 0.1 . . . . . . . 28 GLN CA . 27268 1 381 . 2 2 9 9 GLN CB C 13 29.9 0.1 . . . . . . . 28 GLN CB . 27268 1 382 . 2 2 9 9 GLN N N 15 118.2 0.1 . . . . . . . 28 GLN N . 27268 1 383 . 2 2 11 11 HIS HA H 1 4.38 0.01 . . . . . . . 30 HIS HA . 27268 1 384 . 2 2 11 11 HIS HB2 H 1 3.15 0.01 . . . . . . . 30 HIS HB . 27268 1 385 . 2 2 11 11 HIS HB3 H 1 3.15 0.01 . . . . . . . 30 HIS HB . 27268 1 386 . 2 2 11 11 HIS C C 13 177.8 0.1 . . . . . . . 30 HIS CO . 27268 1 387 . 2 2 11 11 HIS CA C 13 58.7 0.1 . . . . . . . 30 HIS CA . 27268 1 388 . 2 2 11 11 HIS CB C 13 29.5 0.1 . . . . . . . 30 HIS CB . 27268 1 389 . 2 2 12 12 GLU H H 1 6.55 0.01 . . . . . . . 31 GLU H . 27268 1 390 . 2 2 12 12 GLU HA H 1 3.91 0.01 . . . . . . . 31 GLU HA . 27268 1 391 . 2 2 12 12 GLU HB2 H 1 1.85 0.01 . . . . . . . 31 GLU HB . 27268 1 392 . 2 2 12 12 GLU HB3 H 1 1.85 0.01 . . . . . . . 31 GLU HB . 27268 1 393 . 2 2 12 12 GLU C C 13 177.4 0.1 . . . . . . . 31 GLU CO . 27268 1 394 . 2 2 12 12 GLU CA C 13 58.4 0.1 . . . . . . . 31 GLU CA . 27268 1 395 . 2 2 12 12 GLU CB C 13 30.8 0.1 . . . . . . . 31 GLU CB . 27268 1 396 . 2 2 12 12 GLU N N 15 121.5 0.1 . . . . . . . 31 GLU N . 27268 1 397 . 2 2 13 13 ASN H H 1 7.75 0.01 . . . . . . . 32 ASN H . 27268 1 398 . 2 2 13 13 ASN HA H 1 3.96 0.01 . . . . . . . 32 ASN HA . 27268 1 399 . 2 2 13 13 ASN HB2 H 1 2.48 0.01 . . . . . . . 32 ASN HB2 . 27268 1 400 . 2 2 13 13 ASN HB3 H 1 1.83 0.01 . . . . . . . 32 ASN HB3 . 27268 1 401 . 2 2 13 13 ASN C C 13 175.5 0.1 . . . . . . . 32 ASN CO . 27268 1 402 . 2 2 13 13 ASN CA C 13 57.0 0.1 . . . . . . . 32 ASN CA . 27268 1 403 . 2 2 13 13 ASN CB C 13 39.7 0.1 . . . . . . . 32 ASN CB . 27268 1 404 . 2 2 13 13 ASN N N 15 117.1 0.1 . . . . . . . 32 ASN N . 27268 1 405 . 2 2 14 14 GLN H H 1 7.79 0.01 . . . . . . . 33 GLN H . 27268 1 406 . 2 2 14 14 GLN HA H 1 3.89 0.01 . . . . . . . 33 GLN HA . 27268 1 407 . 2 2 14 14 GLN HB2 H 1 1.95 0.01 . . . . . . . 33 GLN HB . 27268 1 408 . 2 2 14 14 GLN HB3 H 1 1.95 0.01 . . . . . . . 33 GLN HB . 27268 1 409 . 2 2 14 14 GLN C C 13 178.8 0.1 . . . . . . . 33 GLN CO . 27268 1 410 . 2 2 14 14 GLN CA C 13 59.0 0.1 . . . . . . . 33 GLN CA . 27268 1 411 . 2 2 14 14 GLN CB C 13 27.5 0.1 . . . . . . . 33 GLN CB . 27268 1 412 . 2 2 14 14 GLN N N 15 114.3 0.1 . . . . . . . 33 GLN N . 27268 1 413 . 2 2 15 15 ARG H H 1 7.60 0.01 . . . . . . . 34 ARG H . 27268 1 414 . 2 2 15 15 ARG HA H 1 4.00 0.01 . . . . . . . 34 ARG HA . 27268 1 415 . 2 2 15 15 ARG HB2 H 1 1.90 0.01 . . . . . . . 34 ARG HB . 27268 1 416 . 2 2 15 15 ARG HB3 H 1 1.90 0.01 . . . . . . . 34 ARG HB . 27268 1 417 . 2 2 15 15 ARG C C 13 178.4 0.1 . . . . . . . 34 ARG CO . 27268 1 418 . 2 2 15 15 ARG CA C 13 59.0 0.1 . . . . . . . 34 ARG CA . 27268 1 419 . 2 2 15 15 ARG CB C 13 29.3 0.1 . . . . . . . 34 ARG CB . 27268 1 420 . 2 2 15 15 ARG N N 15 119.3 0.1 . . . . . . . 34 ARG N . 27268 1 421 . 2 2 16 16 LEU H H 1 7.84 0.01 . . . . . . . 35 LEU H . 27268 1 422 . 2 2 16 16 LEU C C 13 178.3 0.1 . . . . . . . 35 LEU CO . 27268 1 423 . 2 2 16 16 LEU CA C 13 57.7 0.1 . . . . . . . 35 LEU CA . 27268 1 424 . 2 2 16 16 LEU CB C 13 41.2 0.1 . . . . . . . 35 LEU CB . 27268 1 425 . 2 2 16 16 LEU N N 15 120.4 0.1 . . . . . . . 35 LEU N . 27268 1 426 . 2 2 17 17 PHE H H 1 8.21 0.01 . . . . . . . 36 PHE H . 27268 1 427 . 2 2 17 17 PHE C C 13 179.9 0.1 . . . . . . . 36 PHE CO . 27268 1 428 . 2 2 17 17 PHE CA C 13 56.4 0.1 . . . . . . . 36 PHE CA . 27268 1 429 . 2 2 17 17 PHE CB C 13 36.0 0.1 . . . . . . . 36 PHE CB . 27268 1 430 . 2 2 17 17 PHE N N 15 115.8 0.1 . . . . . . . 36 PHE N . 27268 1 431 . 2 2 18 18 GLU H H 1 7.79 0.01 . . . . . . . 37 GLU H . 27268 1 432 . 2 2 18 18 GLU C C 13 178.6 0.1 . . . . . . . 37 GLU CO . 27268 1 433 . 2 2 18 18 GLU CA C 13 58.6 0.1 . . . . . . . 37 GLU CA . 27268 1 434 . 2 2 18 18 GLU CB C 13 29.6 0.1 . . . . . . . 37 GLU CB . 27268 1 435 . 2 2 18 18 GLU N N 15 118.5 0.1 . . . . . . . 37 GLU N . 27268 1 436 . 2 2 19 19 MET H H 1 7.76 0.01 . . . . . . . 38 MET H . 27268 1 437 . 2 2 19 19 MET HA H 1 4.17 0.01 . . . . . . . 38 MET HA . 27268 1 438 . 2 2 19 19 MET C C 13 177.0 0.1 . . . . . . . 38 MET CO . 27268 1 439 . 2 2 19 19 MET CA C 13 57.6 0.1 . . . . . . . 38 MET CA . 27268 1 440 . 2 2 19 19 MET CB C 13 33.6 0.1 . . . . . . . 38 MET CB . 27268 1 441 . 2 2 19 19 MET N N 15 117.8 0.1 . . . . . . . 38 MET N . 27268 1 442 . 2 2 20 20 LEU H H 1 7.23 0.01 . . . . . . . 39 LEU H . 27268 1 443 . 2 2 20 20 LEU HA H 1 3.94 0.01 . . . . . . . 39 LEU HA . 27268 1 444 . 2 2 20 20 LEU C C 13 178.6 0.1 . . . . . . . 39 LEU CO . 27268 1 445 . 2 2 20 20 LEU CA C 13 57.0 0.1 . . . . . . . 39 LEU CA . 27268 1 446 . 2 2 20 20 LEU CB C 13 42.8 0.1 . . . . . . . 39 LEU CB . 27268 1 447 . 2 2 20 20 LEU N N 15 116.7 0.1 . . . . . . . 39 LEU N . 27268 1 448 . 2 2 21 21 GLY H H 1 7.34 0.01 . . . . . . . 40 GLY H . 27268 1 449 . 2 2 21 21 GLY HA2 H 1 3.75 0.01 . . . . . . . 40 GLY HA . 27268 1 450 . 2 2 21 21 GLY HA3 H 1 3.75 0.01 . . . . . . . 40 GLY HA . 27268 1 451 . 2 2 21 21 GLY C C 13 174.0 0.1 . . . . . . . 40 GLY CO . 27268 1 452 . 2 2 21 21 GLY CA C 13 43.7 0.1 . . . . . . . 40 GLY CA . 27268 1 453 . 2 2 21 21 GLY N N 15 107.4 0.1 . . . . . . . 40 GLY N . 27268 1 454 . 2 2 22 22 ARG H H 1 8.22 0.01 . . . . . . . 41 ARG H . 27268 1 455 . 2 2 22 22 ARG HA H 1 4.13 0.01 . . . . . . . 41 ARG HA . 27268 1 456 . 2 2 22 22 ARG HB2 H 1 1.80 0.01 . . . . . . . 41 ARG HB . 27268 1 457 . 2 2 22 22 ARG HB3 H 1 1.80 0.01 . . . . . . . 41 ARG HB . 27268 1 458 . 2 2 22 22 ARG C C 13 177.3 0.1 . . . . . . . 41 ARG CO . 27268 1 459 . 2 2 22 22 ARG CA C 13 57.1 0.1 . . . . . . . 41 ARG CA . 27268 1 460 . 2 2 22 22 ARG CB C 13 29.3 0.1 . . . . . . . 41 ARG CB . 27268 1 461 . 2 2 22 22 ARG N N 15 119.0 0.1 . . . . . . . 41 ARG N . 27268 1 462 . 2 2 23 23 LYS H H 1 8.94 0.01 . . . . . . . 42 LYS H . 27268 1 463 . 2 2 23 23 LYS HA H 1 4.10 0.01 . . . . . . . 42 LYS HA . 27268 1 464 . 2 2 23 23 LYS HB2 H 1 2.12 0.01 . . . . . . . 42 LYS HB2 . 27268 1 465 . 2 2 23 23 LYS HB3 H 1 1.88 0.01 . . . . . . . 42 LYS HB3 . 27268 1 466 . 2 2 23 23 LYS C C 13 174.6 0.1 . . . . . . . 42 LYS CO . 27268 1 467 . 2 2 23 23 LYS CA C 13 56.4 0.1 . . . . . . . 42 LYS CA . 27268 1 468 . 2 2 23 23 LYS CB C 13 29.3 0.1 . . . . . . . 42 LYS CB . 27268 1 469 . 2 2 23 23 LYS N N 15 117.0 0.1 . . . . . . . 42 LYS N . 27268 1 470 . 2 2 24 24 CYS H H 1 7.17 0.01 . . . . . . . 43 CYS H . 27268 1 471 . 2 2 24 24 CYS HA H 1 5.45 0.01 . . . . . . . 43 CYS HA . 27268 1 472 . 2 2 24 24 CYS C C 13 173.0 0.1 . . . . . . . 43 CYS CO . 27268 1 473 . 2 2 24 24 CYS CA C 13 58.0 0.1 . . . . . . . 43 CYS CA . 27268 1 474 . 2 2 24 24 CYS CB C 13 30.5 0.1 . . . . . . . 43 CYS CB . 27268 1 475 . 2 2 24 24 CYS N N 15 115.0 0.1 . . . . . . . 43 CYS N . 27268 1 476 . 2 2 25 25 LEU H H 1 7.88 0.01 . . . . . . . 44 LEU H . 27268 1 477 . 2 2 25 25 LEU HA H 1 5.22 0.01 . . . . . . . 44 LEU HA . 27268 1 478 . 2 2 25 25 LEU HB2 H 1 1.36 0.01 . . . . . . . 44 LEU HB . 27268 1 479 . 2 2 25 25 LEU HB3 H 1 1.36 0.01 . . . . . . . 44 LEU HB . 27268 1 480 . 2 2 25 25 LEU C C 13 176.6 0.1 . . . . . . . 44 LEU CO . 27268 1 481 . 2 2 25 25 LEU CA C 13 53.0 0.1 . . . . . . . 44 LEU CA . 27268 1 482 . 2 2 25 25 LEU CB C 13 46.8 0.1 . . . . . . . 44 LEU CB . 27268 1 483 . 2 2 25 25 LEU N N 15 121.3 0.1 . . . . . . . 44 LEU N . 27268 1 484 . 2 2 26 26 THR H H 1 9.21 0.01 . . . . . . . 45 THR H . 27268 1 485 . 2 2 26 26 THR HA H 1 5.13 0.01 . . . . . . . 45 THR HA . 27268 1 486 . 2 2 26 26 THR HB H 1 3.96 0.01 . . . . . . . 45 THR HB . 27268 1 487 . 2 2 26 26 THR C C 13 173.6 0.1 . . . . . . . 45 THR CO . 27268 1 488 . 2 2 26 26 THR CA C 13 58.1 0.1 . . . . . . . 45 THR CA . 27268 1 489 . 2 2 26 26 THR CB C 13 70.0 0.1 . . . . . . . 45 THR CB . 27268 1 490 . 2 2 26 26 THR N N 15 115.6 0.1 . . . . . . . 45 THR N . 27268 1 491 . 2 2 27 27 LEU H H 1 9.29 0.01 . . . . . . . 46 LEU H . 27268 1 492 . 2 2 27 27 LEU HA H 1 4.44 0.01 . . . . . . . 46 LEU HA . 27268 1 493 . 2 2 27 27 LEU HB2 H 1 1.84 0.01 . . . . . . . 46 LEU HB . 27268 1 494 . 2 2 27 27 LEU HB3 H 1 1.84 0.01 . . . . . . . 46 LEU HB . 27268 1 495 . 2 2 27 27 LEU C C 13 177.0 0.1 . . . . . . . 46 LEU CO . 27268 1 496 . 2 2 27 27 LEU CA C 13 54.8 0.1 . . . . . . . 46 LEU CA . 27268 1 497 . 2 2 27 27 LEU CB C 13 43.1 0.1 . . . . . . . 46 LEU CB . 27268 1 498 . 2 2 27 27 LEU N N 15 127.6 0.1 . . . . . . . 46 LEU N . 27268 1 499 . 2 2 28 28 ALA H H 1 7.94 0.01 . . . . . . . 47 ALA H . 27268 1 500 . 2 2 28 28 ALA HA H 1 4.45 0.01 . . . . . . . 47 ALA HA . 27268 1 501 . 2 2 28 28 ALA HB1 H 1 1.43 0.01 . . . . . . . 47 ALA HB . 27268 1 502 . 2 2 28 28 ALA HB2 H 1 1.43 0.01 . . . . . . . 47 ALA HB . 27268 1 503 . 2 2 28 28 ALA HB3 H 1 1.43 0.01 . . . . . . . 47 ALA HB . 27268 1 504 . 2 2 28 28 ALA C C 13 174.7 0.1 . . . . . . . 47 ALA CO . 27268 1 505 . 2 2 28 28 ALA CA C 13 53.8 0.1 . . . . . . . 47 ALA CA . 27268 1 506 . 2 2 28 28 ALA CB C 13 21.5 0.1 . . . . . . . 47 ALA CB . 27268 1 507 . 2 2 28 28 ALA N N 15 118.9 0.1 . . . . . . . 47 ALA N . 27268 1 508 . 2 2 29 29 THR H H 1 7.71 0.01 . . . . . . . 48 THR H . 27268 1 509 . 2 2 29 29 THR HA H 1 5.96 0.01 . . . . . . . 48 THR HA . 27268 1 510 . 2 2 29 29 THR HB H 1 3.62 0.01 . . . . . . . 48 THR HB . 27268 1 511 . 2 2 29 29 THR C C 13 174.1 0.1 . . . . . . . 48 THR CO . 27268 1 512 . 2 2 29 29 THR CA C 13 61.3 0.1 . . . . . . . 48 THR CA . 27268 1 513 . 2 2 29 29 THR CB C 13 72.1 0.1 . . . . . . . 48 THR CB . 27268 1 514 . 2 2 29 29 THR N N 15 118.9 0.1 . . . . . . . 48 THR N . 27268 1 515 . 2 2 30 30 ALA H H 1 9.69 0.01 . . . . . . . 49 ALA H . 27268 1 516 . 2 2 30 30 ALA HA H 1 5.31 0.01 . . . . . . . 49 ALA HA . 27268 1 517 . 2 2 30 30 ALA HB1 H 1 1.53 0.01 . . . . . . . 49 ALA HB . 27268 1 518 . 2 2 30 30 ALA HB2 H 1 1.53 0.01 . . . . . . . 49 ALA HB . 27268 1 519 . 2 2 30 30 ALA HB3 H 1 1.53 0.01 . . . . . . . 49 ALA HB . 27268 1 520 . 2 2 30 30 ALA C C 13 175.7 0.1 . . . . . . . 49 ALA CO . 27268 1 521 . 2 2 30 30 ALA CA C 13 50.2 0.1 . . . . . . . 49 ALA CA . 27268 1 522 . 2 2 30 30 ALA CB C 13 25.2 0.1 . . . . . . . 49 ALA CB . 27268 1 523 . 2 2 30 30 ALA N N 15 128.3 0.1 . . . . . . . 49 ALA N . 27268 1 524 . 2 2 31 31 VAL H H 1 8.42 0.01 . . . . . . . 50 VAL H . 27268 1 525 . 2 2 31 31 VAL HA H 1 4.50 0.01 . . . . . . . 50 VAL HA . 27268 1 526 . 2 2 31 31 VAL HB H 1 1.55 0.01 . . . . . . . 50 VAL HB . 27268 1 527 . 2 2 31 31 VAL C C 13 177.0 0.1 . . . . . . . 50 VAL CO . 27268 1 528 . 2 2 31 31 VAL CA C 13 64.3 0.1 . . . . . . . 50 VAL CA . 27268 1 529 . 2 2 31 31 VAL CB C 13 30.6 0.1 . . . . . . . 50 VAL CB . 27268 1 530 . 2 2 31 31 VAL N N 15 122.4 0.1 . . . . . . . 50 VAL N . 27268 1 531 . 2 2 32 32 VAL H H 1 8.80 0.01 . . . . . . . 51 VAL H . 27268 1 532 . 2 2 32 32 VAL HA H 1 5.67 0.01 . . . . . . . 51 VAL HA . 27268 1 533 . 2 2 32 32 VAL HB H 1 1.63 0.01 . . . . . . . 51 VAL HB . 27268 1 534 . 2 2 32 32 VAL C C 13 175.6 0.1 . . . . . . . 51 VAL CO . 27268 1 535 . 2 2 32 32 VAL CA C 13 59.7 0.1 . . . . . . . 51 VAL CA . 27268 1 536 . 2 2 32 32 VAL CB C 13 37.3 0.1 . . . . . . . 51 VAL CB . 27268 1 537 . 2 2 32 32 VAL N N 15 119.5 0.1 . . . . . . . 51 VAL N . 27268 1 538 . 2 2 33 33 GLN H H 1 8.47 0.01 . . . . . . . 52 GLN H . 27268 1 539 . 2 2 33 33 GLN C C 13 174.5 0.1 . . . . . . . 52 GLN CO . 27268 1 540 . 2 2 33 33 GLN CA C 13 54.3 0.1 . . . . . . . 52 GLN CA . 27268 1 541 . 2 2 33 33 GLN CB C 13 32.1 0.1 . . . . . . . 52 GLN CB . 27268 1 542 . 2 2 33 33 GLN N N 15 114.5 0.1 . . . . . . . 52 GLN N . 27268 1 543 . 2 2 34 34 LEU H H 1 8.60 0.01 . . . . . . . 53 LEU H . 27268 1 544 . 2 2 34 34 LEU HA H 1 4.79 0.01 . . . . . . . 53 LEU HA . 27268 1 545 . 2 2 34 34 LEU C C 13 174.1 0.1 . . . . . . . 53 LEU CO . 27268 1 546 . 2 2 34 34 LEU CA C 13 53.3 0.1 . . . . . . . 53 LEU CA . 27268 1 547 . 2 2 34 34 LEU CB C 13 45.4 0.1 . . . . . . . 53 LEU CB . 27268 1 548 . 2 2 34 34 LEU N N 15 122.8 0.1 . . . . . . . 53 LEU N . 27268 1 549 . 2 2 35 35 TYR H H 1 9.40 0.01 . . . . . . . 54 TYR H . 27268 1 550 . 2 2 35 35 TYR HA H 1 4.90 0.01 . . . . . . . 54 TYR HA . 27268 1 551 . 2 2 35 35 TYR HB2 H 1 1.90 0.01 . . . . . . . 54 TYR HB . 27268 1 552 . 2 2 35 35 TYR HB3 H 1 1.90 0.01 . . . . . . . 54 TYR HB . 27268 1 553 . 2 2 35 35 TYR C C 13 173.6 0.1 . . . . . . . 54 TYR CO . 27268 1 554 . 2 2 35 35 TYR CA C 13 56.4 0.1 . . . . . . . 54 TYR CA . 27268 1 555 . 2 2 35 35 TYR CB C 13 41.6 0.1 . . . . . . . 54 TYR CB . 27268 1 556 . 2 2 35 35 TYR N N 15 127.6 0.1 . . . . . . . 54 TYR N . 27268 1 557 . 2 2 36 36 LEU H H 1 8.90 0.01 . . . . . . . 55 LEU H . 27268 1 558 . 2 2 36 36 LEU HA H 1 5.40 0.01 . . . . . . . 55 LEU HA . 27268 1 559 . 2 2 36 36 LEU HB2 H 1 1.66 0.01 . . . . . . . 55 LEU HB . 27268 1 560 . 2 2 36 36 LEU HB3 H 1 1.66 0.01 . . . . . . . 55 LEU HB . 27268 1 561 . 2 2 36 36 LEU C C 13 176.4 0.1 . . . . . . . 55 LEU CO . 27268 1 562 . 2 2 36 36 LEU CA C 13 52.9 0.1 . . . . . . . 55 LEU CA . 27268 1 563 . 2 2 36 36 LEU CB C 13 44.8 0.1 . . . . . . . 55 LEU CB . 27268 1 564 . 2 2 36 36 LEU N N 15 118.2 0.1 . . . . . . . 55 LEU N . 27268 1 565 . 2 2 37 37 ALA H H 1 8.38 0.01 . . . . . . . 56 ALA H . 27268 1 566 . 2 2 37 37 ALA HA H 1 5.00 0.01 . . . . . . . 56 ALA HA . 27268 1 567 . 2 2 37 37 ALA HB1 H 1 0.75 0.01 . . . . . . . 56 ALA HB . 27268 1 568 . 2 2 37 37 ALA HB2 H 1 0.75 0.01 . . . . . . . 56 ALA HB . 27268 1 569 . 2 2 37 37 ALA HB3 H 1 0.75 0.01 . . . . . . . 56 ALA HB . 27268 1 570 . 2 2 37 37 ALA C C 13 174.4 0.1 . . . . . . . 56 ALA CO . 27268 1 571 . 2 2 37 37 ALA CA C 13 50.2 0.1 . . . . . . . 56 ALA CA . 27268 1 572 . 2 2 37 37 ALA CB C 13 18.0 0.1 . . . . . . . 56 ALA CB . 27268 1 573 . 2 2 37 37 ALA N N 15 127.9 0.1 . . . . . . . 56 ALA N . 27268 1 574 . 2 2 38 38 LEU H H 1 7.56 0.01 . . . . . . . 57 LEU H . 27268 1 575 . 2 2 38 38 LEU CA C 13 51.9 0.1 . . . . . . . 57 LEU CA . 27268 1 576 . 2 2 38 38 LEU CB C 13 45.1 0.1 . . . . . . . 57 LEU CB . 27268 1 577 . 2 2 38 38 LEU N N 15 123.9 0.1 . . . . . . . 57 LEU N . 27268 1 578 . 2 2 40 40 PRO HA H 1 4.13 0.01 . . . . . . . 59 PRO HA . 27268 1 579 . 2 2 40 40 PRO C C 13 177.6 0.1 . . . . . . . 59 PRO CO . 27268 1 580 . 2 2 40 40 PRO CA C 13 65.0 0.1 . . . . . . . 59 PRO CA . 27268 1 581 . 2 2 40 40 PRO CB C 13 31.4 0.1 . . . . . . . 59 PRO CB . 27268 1 582 . 2 2 41 41 GLY H H 1 8.95 0.01 . . . . . . . 60 GLY H . 27268 1 583 . 2 2 41 41 GLY HA2 H 1 4.50 0.01 . . . . . . . 60 GLY HA2 . 27268 1 584 . 2 2 41 41 GLY HA3 H 1 3.87 0.01 . . . . . . . 60 GLY HA3 . 27268 1 585 . 2 2 41 41 GLY C C 13 174.9 0.1 . . . . . . . 60 GLY CO . 27268 1 586 . 2 2 41 41 GLY CA C 13 45.2 0.1 . . . . . . . 60 GLY CA . 27268 1 587 . 2 2 41 41 GLY N N 15 112.5 0.1 . . . . . . . 60 GLY N . 27268 1 588 . 2 2 42 42 ALA H H 1 8.12 0.01 . . . . . . . 61 ALA H . 27268 1 589 . 2 2 42 42 ALA C C 13 177.0 0.1 . . . . . . . 61 ALA CO . 27268 1 590 . 2 2 42 42 ALA CA C 13 52.6 0.1 . . . . . . . 61 ALA CA . 27268 1 591 . 2 2 42 42 ALA CB C 13 19.9 0.1 . . . . . . . 61 ALA CB . 27268 1 592 . 2 2 42 42 ALA N N 15 122.6 0.1 . . . . . . . 61 ALA N . 27268 1 593 . 2 2 43 43 GLU H H 1 8.50 0.01 . . . . . . . 62 GLU H . 27268 1 594 . 2 2 43 43 GLU HA H 1 4.20 0.01 . . . . . . . 62 GLU HA . 27268 1 595 . 2 2 43 43 GLU HB2 H 1 1.82 0.01 . . . . . . . 62 GLU HB . 27268 1 596 . 2 2 43 43 GLU HB3 H 1 1.82 0.01 . . . . . . . 62 GLU HB . 27268 1 597 . 2 2 43 43 GLU C C 13 174.2 0.1 . . . . . . . 62 GLU CO . 27268 1 598 . 2 2 43 43 GLU CA C 13 55.5 0.1 . . . . . . . 62 GLU CA . 27268 1 599 . 2 2 43 43 GLU CB C 13 29.7 0.1 . . . . . . . 62 GLU CB . 27268 1 600 . 2 2 43 43 GLU N N 15 116.0 0.1 . . . . . . . 62 GLU N . 27268 1 601 . 2 2 44 44 HIS H H 1 6.83 0.01 . . . . . . . 63 HIS H . 27268 1 602 . 2 2 44 44 HIS HA H 1 4.67 0.01 . . . . . . . 63 HIS HA . 27268 1 603 . 2 2 44 44 HIS HB2 H 1 3.05 0.01 . . . . . . . 63 HIS HB . 27268 1 604 . 2 2 44 44 HIS HB3 H 1 3.05 0.01 . . . . . . . 63 HIS HB . 27268 1 605 . 2 2 44 44 HIS C C 13 174.0 0.1 . . . . . . . 63 HIS CO . 27268 1 606 . 2 2 44 44 HIS CA C 13 53.7 0.1 . . . . . . . 63 HIS CA . 27268 1 607 . 2 2 44 44 HIS CB C 13 33.6 0.1 . . . . . . . 63 HIS CB . 27268 1 608 . 2 2 44 44 HIS N N 15 114.1 0.1 . . . . . . . 63 HIS N . 27268 1 609 . 2 2 45 45 TRP H H 1 8.92 0.01 . . . . . . . 64 TRP H . 27268 1 610 . 2 2 45 45 TRP HA H 1 4.70 0.01 . . . . . . . 64 TRP HA . 27268 1 611 . 2 2 45 45 TRP HB2 H 1 3.37 0.01 . . . . . . . 64 TRP HB2 . 27268 1 612 . 2 2 45 45 TRP HB3 H 1 2.93 0.01 . . . . . . . 64 TRP HB3 . 27268 1 613 . 2 2 45 45 TRP C C 13 176.3 0.1 . . . . . . . 64 TRP CO . 27268 1 614 . 2 2 45 45 TRP CA C 13 56.4 0.1 . . . . . . . 64 TRP CA . 27268 1 615 . 2 2 45 45 TRP CB C 13 33.8 0.1 . . . . . . . 64 TRP CB . 27268 1 616 . 2 2 45 45 TRP N N 15 122.4 0.1 . . . . . . . 64 TRP N . 27268 1 617 . 2 2 46 46 THR H H 1 8.87 0.01 . . . . . . . 65 THR H . 27268 1 618 . 2 2 46 46 THR HA H 1 4.57 0.01 . . . . . . . 65 THR HA . 27268 1 619 . 2 2 46 46 THR HB H 1 4.24 0.01 . . . . . . . 65 THR HB . 27268 1 620 . 2 2 46 46 THR C C 13 173.5 0.1 . . . . . . . 65 THR CO . 27268 1 621 . 2 2 46 46 THR CA C 13 63.1 0.1 . . . . . . . 65 THR CA . 27268 1 622 . 2 2 46 46 THR CB C 13 71.7 0.1 . . . . . . . 65 THR CB . 27268 1 623 . 2 2 46 46 THR N N 15 116.5 0.1 . . . . . . . 65 THR N . 27268 1 624 . 2 2 47 47 LYS H H 1 9.17 0.01 . . . . . . . 66 LYS H . 27268 1 625 . 2 2 47 47 LYS HA H 1 3.12 0.01 . . . . . . . 66 LYS HA . 27268 1 626 . 2 2 47 47 LYS C C 13 174.6 0.1 . . . . . . . 66 LYS CO . 27268 1 627 . 2 2 47 47 LYS CA C 13 57.9 0.1 . . . . . . . 66 LYS CA . 27268 1 628 . 2 2 47 47 LYS CB C 13 30.9 0.1 . . . . . . . 66 LYS CB . 27268 1 629 . 2 2 47 47 LYS N N 15 130.3 0.1 . . . . . . . 66 LYS N . 27268 1 630 . 2 2 48 48 GLU H H 1 8.66 0.01 . . . . . . . 67 GLU H . 27268 1 631 . 2 2 48 48 GLU C C 13 175.0 0.1 . . . . . . . 67 GLU CO . 27268 1 632 . 2 2 48 48 GLU CA C 13 56.7 0.1 . . . . . . . 67 GLU CA . 27268 1 633 . 2 2 48 48 GLU CB C 13 31.1 0.1 . . . . . . . 67 GLU CB . 27268 1 634 . 2 2 48 48 GLU N N 15 129.6 0.1 . . . . . . . 67 GLU N . 27268 1 635 . 2 2 49 49 HIS HA H 1 4.04 0.01 . . . . . . . 68 HIS HA . 27268 1 636 . 2 2 49 49 HIS HB2 H 1 2.16 0.01 . . . . . . . 68 HIS HB . 27268 1 637 . 2 2 49 49 HIS HB3 H 1 2.16 0.01 . . . . . . . 68 HIS HB . 27268 1 638 . 2 2 49 49 HIS C C 13 178.6 0.1 . . . . . . . 68 HIS CO . 27268 1 639 . 2 2 49 49 HIS CA C 13 59.30 0.1 . . . . . . . 68 HIS CA . 27268 1 640 . 2 2 49 49 HIS CB C 13 29.10 0.1 . . . . . . . 68 HIS CB . 27268 1 641 . 2 2 50 50 CYS H H 1 7.67 0.01 . . . . . . . 69 CYS H . 27268 1 642 . 2 2 50 50 CYS HA H 1 5.06 0.01 . . . . . . . 69 CYS HA . 27268 1 643 . 2 2 50 50 CYS HB2 H 1 2.83 0.01 . . . . . . . 69 CYS HB . 27268 1 644 . 2 2 50 50 CYS HB3 H 1 2.83 0.01 . . . . . . . 69 CYS HB . 27268 1 645 . 2 2 50 50 CYS C C 13 173.0 0.1 . . . . . . . 69 CYS CO . 27268 1 646 . 2 2 50 50 CYS CA C 13 56.8 0.1 . . . . . . . 69 CYS CA . 27268 1 647 . 2 2 50 50 CYS CB C 13 29.9 0.1 . . . . . . . 69 CYS CB . 27268 1 648 . 2 2 50 50 CYS N N 15 115.8 0.1 . . . . . . . 69 CYS N . 27268 1 649 . 2 2 51 51 GLY H H 1 8.86 0.01 . . . . . . . 70 GLY H . 27268 1 650 . 2 2 51 51 GLY HA2 H 1 4.52 0.01 . . . . . . . 70 GLY HA2 . 27268 1 651 . 2 2 51 51 GLY HA3 H 1 2.96 0.01 . . . . . . . 70 GLY HA3 . 27268 1 652 . 2 2 51 51 GLY C C 13 170.6 0.1 . . . . . . . 70 GLY CO . 27268 1 653 . 2 2 51 51 GLY CA C 13 46.7 0.1 . . . . . . . 70 GLY CA . 27268 1 654 . 2 2 51 51 GLY N N 15 111.5 0.1 . . . . . . . 70 GLY N . 27268 1 655 . 2 2 52 52 ALA H H 1 8.64 0.01 . . . . . . . 71 ALA H . 27268 1 656 . 2 2 52 52 ALA HA H 1 5.47 0.01 . . . . . . . 71 ALA HA . 27268 1 657 . 2 2 52 52 ALA HB1 H 1 1.33 0.01 . . . . . . . 71 ALA HB . 27268 1 658 . 2 2 52 52 ALA HB2 H 1 1.33 0.01 . . . . . . . 71 ALA HB . 27268 1 659 . 2 2 52 52 ALA HB3 H 1 1.33 0.01 . . . . . . . 71 ALA HB . 27268 1 660 . 2 2 52 52 ALA C C 13 175.4 0.1 . . . . . . . 71 ALA CO . 27268 1 661 . 2 2 52 52 ALA CA C 13 49.5 0.1 . . . . . . . 71 ALA CA . 27268 1 662 . 2 2 52 52 ALA CB C 13 20.7 0.1 . . . . . . . 71 ALA CB . 27268 1 663 . 2 2 52 52 ALA N N 15 123.5 0.1 . . . . . . . 71 ALA N . 27268 1 664 . 2 2 53 53 VAL H H 1 10.17 0.01 . . . . . . . 72 VAL H . 27268 1 665 . 2 2 53 53 VAL HA H 1 5.60 0.01 . . . . . . . 72 VAL HA . 27268 1 666 . 2 2 53 53 VAL HB H 1 1.84 0.01 . . . . . . . 72 VAL HB . 27268 1 667 . 2 2 53 53 VAL C C 13 172.4 0.1 . . . . . . . 72 VAL CO . 27268 1 668 . 2 2 53 53 VAL CA C 13 58.5 0.1 . . . . . . . 72 VAL CA . 27268 1 669 . 2 2 53 53 VAL CB C 13 34.1 0.1 . . . . . . . 72 VAL CB . 27268 1 670 . 2 2 53 53 VAL N N 15 125.9 0.1 . . . . . . . 72 VAL N . 27268 1 671 . 2 2 54 54 CYS H H 1 9.47 0.01 . . . . . . . 73 CYS H . 27268 1 672 . 2 2 54 54 CYS HA H 1 5.86 0.01 . . . . . . . 73 CYS HA . 27268 1 673 . 2 2 54 54 CYS HB2 H 1 3.40 0.01 . . . . . . . 73 CYS HB2 . 27268 1 674 . 2 2 54 54 CYS HB3 H 1 2.81 0.01 . . . . . . . 73 CYS HB3 . 27268 1 675 . 2 2 54 54 CYS C C 13 174.2 0.1 . . . . . . . 73 CYS CO . 27268 1 676 . 2 2 54 54 CYS CA C 13 57.7 0.1 . . . . . . . 73 CYS CA . 27268 1 677 . 2 2 54 54 CYS CB C 13 33.5 0.1 . . . . . . . 73 CYS CB . 27268 1 678 . 2 2 54 54 CYS N N 15 123.7 0.1 . . . . . . . 73 CYS N . 27268 1 679 . 2 2 55 55 PHE H H 1 9.24 0.01 . . . . . . . 74 PHE H . 27268 1 680 . 2 2 55 55 PHE HA H 1 5.30 0.01 . . . . . . . 74 PHE HA . 27268 1 681 . 2 2 55 55 PHE HB2 H 1 3.00 0.01 . . . . . . . 74 PHE HB2 . 27268 1 682 . 2 2 55 55 PHE HB3 H 1 2.44 0.01 . . . . . . . 74 PHE HB3 . 27268 1 683 . 2 2 55 55 PHE C C 13 173.3 0.1 . . . . . . . 74 PHE CO . 27268 1 684 . 2 2 55 55 PHE CA C 13 56.6 0.1 . . . . . . . 74 PHE CA . 27268 1 685 . 2 2 55 55 PHE CB C 13 38.3 0.1 . . . . . . . 74 PHE CB . 27268 1 686 . 2 2 55 55 PHE N N 15 127.0 0.1 . . . . . . . 74 PHE N . 27268 1 687 . 2 2 56 56 VAL H H 1 9.43 0.01 . . . . . . . 75 VAL H . 27268 1 688 . 2 2 56 56 VAL HA H 1 5.00 0.01 . . . . . . . 75 VAL HA . 27268 1 689 . 2 2 56 56 VAL HB H 1 2.14 0.01 . . . . . . . 75 VAL HB . 27268 1 690 . 2 2 56 56 VAL C C 13 176.3 0.1 . . . . . . . 75 VAL CO . 27268 1 691 . 2 2 56 56 VAL CA C 13 61.8 0.1 . . . . . . . 75 VAL CA . 27268 1 692 . 2 2 56 56 VAL CB C 13 35.5 0.1 . . . . . . . 75 VAL CB . 27268 1 693 . 2 2 56 56 VAL N N 15 126.3 0.1 . . . . . . . 75 VAL N . 27268 1 694 . 2 2 57 57 LYS H H 1 8.96 0.01 . . . . . . . 76 LYS H . 27268 1 695 . 2 2 57 57 LYS HA H 1 4.10 0.01 . . . . . . . 76 LYS HA . 27268 1 696 . 2 2 57 57 LYS HB2 H 1 2.03 0.01 . . . . . . . 76 LYS HB2 . 27268 1 697 . 2 2 57 57 LYS HB3 H 1 1.53 0.01 . . . . . . . 76 LYS HB3 . 27268 1 698 . 2 2 57 57 LYS C C 13 173.2 0.1 . . . . . . . 76 LYS CO . 27268 1 699 . 2 2 57 57 LYS CA C 13 55.8 0.1 . . . . . . . 76 LYS CA . 27268 1 700 . 2 2 57 57 LYS CB C 13 34.2 0.1 . . . . . . . 76 LYS CB . 27268 1 701 . 2 2 57 57 LYS N N 15 127.2 0.1 . . . . . . . 76 LYS N . 27268 1 702 . 2 2 58 58 ASP H H 1 8.13 0.01 . . . . . . . 77 ASP H . 27268 1 703 . 2 2 58 58 ASP HA H 1 5.24 0.01 . . . . . . . 77 ASP HA . 27268 1 704 . 2 2 58 58 ASP HB2 H 1 2.10 0.01 . . . . . . . 77 ASP HB . 27268 1 705 . 2 2 58 58 ASP HB3 H 1 2.10 0.01 . . . . . . . 77 ASP HB . 27268 1 706 . 2 2 58 58 ASP C C 13 175.5 0.1 . . . . . . . 77 ASP CO . 27268 1 707 . 2 2 58 58 ASP CA C 13 51.8 0.1 . . . . . . . 77 ASP CA . 27268 1 708 . 2 2 58 58 ASP CB C 13 42.9 0.1 . . . . . . . 77 ASP CB . 27268 1 709 . 2 2 58 58 ASP N N 15 130.9 0.1 . . . . . . . 77 ASP N . 27268 1 710 . 2 2 59 59 ASN H H 1 7.56 0.01 . . . . . . . 78 ASN H . 27268 1 711 . 2 2 59 59 ASN CA C 13 58.2 0.1 . . . . . . . 78 ASN CA . 27268 1 712 . 2 2 59 59 ASN CB C 13 36.8 0.1 . . . . . . . 78 ASN CB . 27268 1 713 . 2 2 59 59 ASN N N 15 121.1 0.1 . . . . . . . 78 ASN N . 27268 1 714 . 2 2 60 60 PRO HA H 1 4.24 0.01 . . . . . . . 79 PRO HA . 27268 1 715 . 2 2 60 60 PRO HB2 H 1 2.33 0.01 . . . . . . . 79 PRO HB2 . 27268 1 716 . 2 2 60 60 PRO HB3 H 1 1.86 0.01 . . . . . . . 79 PRO HB3 . 27268 1 717 . 2 2 60 60 PRO C C 13 178.6 0.1 . . . . . . . 79 PRO CO . 27268 1 718 . 2 2 60 60 PRO CA C 13 66.3 0.1 . . . . . . . 79 PRO CA . 27268 1 719 . 2 2 60 60 PRO CB C 13 31.2 0.1 . . . . . . . 79 PRO CB . 27268 1 720 . 2 2 61 61 GLN H H 1 7.80 0.01 . . . . . . . 80 GLN H . 27268 1 721 . 2 2 61 61 GLN HA H 1 4.25 0.01 . . . . . . . 80 GLN HA . 27268 1 722 . 2 2 61 61 GLN C C 13 173.4 0.1 . . . . . . . 80 GLN CO . 27268 1 723 . 2 2 61 61 GLN CA C 13 56.4 0.1 . . . . . . . 80 GLN CA . 27268 1 724 . 2 2 61 61 GLN CB C 13 29.8 0.1 . . . . . . . 80 GLN CB . 27268 1 725 . 2 2 61 61 GLN N N 15 111.5 0.1 . . . . . . . 80 GLN N . 27268 1 726 . 2 2 62 62 LYS H H 1 7.94 0.01 . . . . . . . 81 LYS H . 27268 1 727 . 2 2 62 62 LYS HA H 1 3.68 0.01 . . . . . . . 81 LYS HA . 27268 1 728 . 2 2 62 62 LYS HB2 H 1 1.90 0.01 . . . . . . . 81 LYS HB2 . 27268 1 729 . 2 2 62 62 LYS HB3 H 1 1.75 0.01 . . . . . . . 81 LYS HB3 . 27268 1 730 . 2 2 62 62 LYS C C 13 175.5 0.1 . . . . . . . 81 LYS CO . 27268 1 731 . 2 2 62 62 LYS CA C 13 56.4 0.1 . . . . . . . 81 LYS CA . 27268 1 732 . 2 2 62 62 LYS CB C 13 29.7 0.1 . . . . . . . 81 LYS CB . 27268 1 733 . 2 2 62 62 LYS N N 15 116.5 0.1 . . . . . . . 81 LYS N . 27268 1 734 . 2 2 63 63 SER H H 1 7.43 0.01 . . . . . . . 82 SER H . 27268 1 735 . 2 2 63 63 SER HA H 1 4.42 0.01 . . . . . . . 82 SER HA . 27268 1 736 . 2 2 63 63 SER HB2 H 1 3.54 0.01 . . . . . . . 82 SER HB . 27268 1 737 . 2 2 63 63 SER HB3 H 1 3.54 0.01 . . . . . . . 82 SER HB . 27268 1 738 . 2 2 63 63 SER C C 13 172.9 0.1 . . . . . . . 82 SER CO . 27268 1 739 . 2 2 63 63 SER CA C 13 55.4 0.1 . . . . . . . 82 SER CA . 27268 1 740 . 2 2 63 63 SER CB C 13 64.7 0.1 . . . . . . . 82 SER CB . 27268 1 741 . 2 2 63 63 SER N N 15 107.1 0.1 . . . . . . . 82 SER N . 27268 1 742 . 2 2 64 64 TYR H H 1 8.08 0.01 . . . . . . . 83 TYR H . 27268 1 743 . 2 2 64 64 TYR HA H 1 5.66 0.01 . . . . . . . 83 TYR HA . 27268 1 744 . 2 2 64 64 TYR HB2 H 1 2.58 0.01 . . . . . . . 83 TYR HB2 . 27268 1 745 . 2 2 64 64 TYR HB3 H 1 2.42 0.01 . . . . . . . 83 TYR HB3 . 27268 1 746 . 2 2 64 64 TYR C C 13 174.8 0.1 . . . . . . . 83 TYR CO . 27268 1 747 . 2 2 64 64 TYR CA C 13 56.2 0.1 . . . . . . . 83 TYR CA . 27268 1 748 . 2 2 64 64 TYR CB C 13 42.5 0.1 . . . . . . . 83 TYR CB . 27268 1 749 . 2 2 64 64 TYR N N 15 118.0 0.1 . . . . . . . 83 TYR N . 27268 1 750 . 2 2 65 65 PHE H H 1 9.18 0.01 . . . . . . . 84 PHE H . 27268 1 751 . 2 2 65 65 PHE HA H 1 5.00 0.01 . . . . . . . 84 PHE HA . 27268 1 752 . 2 2 65 65 PHE HB2 H 1 2.65 0.01 . . . . . . . 84 PHE HB2 . 27268 1 753 . 2 2 65 65 PHE HB3 H 1 2.51 0.01 . . . . . . . 84 PHE HB3 . 27268 1 754 . 2 2 65 65 PHE C C 13 173.9 0.1 . . . . . . . 84 PHE CO . 27268 1 755 . 2 2 65 65 PHE CA C 13 55.9 0.1 . . . . . . . 84 PHE CA . 27268 1 756 . 2 2 65 65 PHE CB C 13 45.0 0.1 . . . . . . . 84 PHE CB . 27268 1 757 . 2 2 65 65 PHE N N 15 117.1 0.1 . . . . . . . 84 PHE N . 27268 1 758 . 2 2 66 66 ILE H H 1 9.36 0.01 . . . . . . . 85 ILE H . 27268 1 759 . 2 2 66 66 ILE HA H 1 4.96 0.01 . . . . . . . 85 ILE HA . 27268 1 760 . 2 2 66 66 ILE HB H 1 2.10 0.01 . . . . . . . 85 ILE HB . 27268 1 761 . 2 2 66 66 ILE C C 13 175.3 0.1 . . . . . . . 85 ILE CO . 27268 1 762 . 2 2 66 66 ILE CA C 13 62.0 0.1 . . . . . . . 85 ILE CA . 27268 1 763 . 2 2 66 66 ILE CB C 13 39.0 0.1 . . . . . . . 85 ILE CB . 27268 1 764 . 2 2 66 66 ILE N N 15 123.7 0.1 . . . . . . . 85 ILE N . 27268 1 765 . 2 2 67 67 ARG H H 1 9.31 0.01 . . . . . . . 86 ARG H . 27268 1 766 . 2 2 67 67 ARG HA H 1 5.06 0.01 . . . . . . . 86 ARG HA . 27268 1 767 . 2 2 67 67 ARG HB2 H 1 1.63 0.01 . . . . . . . 86 ARG HB . 27268 1 768 . 2 2 67 67 ARG HB3 H 1 1.63 0.01 . . . . . . . 86 ARG HB . 27268 1 769 . 2 2 67 67 ARG C C 13 172.7 0.1 . . . . . . . 86 ARG CO . 27268 1 770 . 2 2 67 67 ARG CA C 13 56.0 0.1 . . . . . . . 86 ARG CA . 27268 1 771 . 2 2 67 67 ARG CB C 13 35.8 0.1 . . . . . . . 86 ARG CB . 27268 1 772 . 2 2 67 67 ARG N N 15 127.2 0.1 . . . . . . . 86 ARG N . 27268 1 773 . 2 2 68 68 LEU H H 1 9.17 0.01 . . . . . . . 87 LEU H . 27268 1 774 . 2 2 68 68 LEU HA H 1 5.20 0.01 . . . . . . . 87 LEU HA . 27268 1 775 . 2 2 68 68 LEU HB2 H 1 2.20 0.01 . . . . . . . 87 LEU HB . 27268 1 776 . 2 2 68 68 LEU HB3 H 1 2.20 0.01 . . . . . . . 87 LEU HB . 27268 1 777 . 2 2 68 68 LEU C C 13 174.0 0.1 . . . . . . . 87 LEU CO . 27268 1 778 . 2 2 68 68 LEU CA C 13 53.5 0.1 . . . . . . . 87 LEU CA . 27268 1 779 . 2 2 68 68 LEU CB C 13 46.5 0.1 . . . . . . . 87 LEU CB . 27268 1 780 . 2 2 68 68 LEU N N 15 125.5 0.1 . . . . . . . 87 LEU N . 27268 1 781 . 2 2 69 69 TYR H H 1 9.65 0.01 . . . . . . . 88 TYR H . 27268 1 782 . 2 2 69 69 TYR HA H 1 4.70 0.01 . . . . . . . 88 TYR HA . 27268 1 783 . 2 2 69 69 TYR HB2 H 1 2.74 0.01 . . . . . . . 88 TYR HB . 27268 1 784 . 2 2 69 69 TYR HB3 H 1 2.74 0.01 . . . . . . . 88 TYR HB . 27268 1 785 . 2 2 69 69 TYR C C 13 174.4 0.1 . . . . . . . 88 TYR CO . 27268 1 786 . 2 2 69 69 TYR CA C 13 58.4 0.1 . . . . . . . 88 TYR CA . 27268 1 787 . 2 2 69 69 TYR CB C 13 42.5 0.1 . . . . . . . 88 TYR CB . 27268 1 788 . 2 2 69 69 TYR N N 15 127.0 0.1 . . . . . . . 88 TYR N . 27268 1 789 . 2 2 70 70 GLY H H 1 8.60 0.01 . . . . . . . 89 GLY H . 27268 1 790 . 2 2 70 70 GLY HA2 H 1 4.00 0.01 . . . . . . . 89 GLY HA2 . 27268 1 791 . 2 2 70 70 GLY HA3 H 1 3.51 0.01 . . . . . . . 89 GLY HA3 . 27268 1 792 . 2 2 70 70 GLY C C 13 174.4 0.1 . . . . . . . 89 GLY CO . 27268 1 793 . 2 2 70 70 GLY CA C 13 45.6 0.1 . . . . . . . 89 GLY CA . 27268 1 794 . 2 2 70 70 GLY N N 15 108.2 0.1 . . . . . . . 89 GLY N . 27268 1 795 . 2 2 71 71 LEU H H 1 8.39 0.01 . . . . . . . 90 LEU H . 27268 1 796 . 2 2 71 71 LEU C C 13 178.5 0.1 . . . . . . . 90 LEU CO . 27268 1 797 . 2 2 71 71 LEU CA C 13 56.8 0.1 . . . . . . . 90 LEU CA . 27268 1 798 . 2 2 71 71 LEU CB C 13 39.3 0.1 . . . . . . . 90 LEU CB . 27268 1 799 . 2 2 71 71 LEU N N 15 127.5 0.1 . . . . . . . 90 LEU N . 27268 1 800 . 2 2 72 72 GLN H H 1 8.17 0.01 . . . . . . . 91 GLN H . 27268 1 801 . 2 2 72 72 GLN HA H 1 4.06 0.01 . . . . . . . 91 GLN HA . 27268 1 802 . 2 2 72 72 GLN HB2 H 1 2.66 0.01 . . . . . . . 91 GLN HB2 . 27268 1 803 . 2 2 72 72 GLN HB3 H 1 2.05 0.01 . . . . . . . 91 GLN HB3 . 27268 1 804 . 2 2 72 72 GLN C C 13 178.0 0.1 . . . . . . . 91 GLN CO . 27268 1 805 . 2 2 72 72 GLN CA C 13 58.7 0.1 . . . . . . . 91 GLN CA . 27268 1 806 . 2 2 72 72 GLN CB C 13 27.9 0.1 . . . . . . . 91 GLN CB . 27268 1 807 . 2 2 72 72 GLN N N 15 119.8 0.1 . . . . . . . 91 GLN N . 27268 1 808 . 2 2 73 73 ALA H H 1 8.35 0.01 . . . . . . . 92 ALA H . 27268 1 809 . 2 2 73 73 ALA HA H 1 4.17 0.01 . . . . . . . 92 ALA HA . 27268 1 810 . 2 2 73 73 ALA HB1 H 1 1.36 0.01 . . . . . . . 92 ALA HB . 27268 1 811 . 2 2 73 73 ALA HB2 H 1 1.36 0.01 . . . . . . . 92 ALA HB . 27268 1 812 . 2 2 73 73 ALA HB3 H 1 1.36 0.01 . . . . . . . 92 ALA HB . 27268 1 813 . 2 2 73 73 ALA C C 13 178.5 0.1 . . . . . . . 92 ALA CO . 27268 1 814 . 2 2 73 73 ALA CA C 13 53.0 0.1 . . . . . . . 92 ALA CA . 27268 1 815 . 2 2 73 73 ALA CB C 13 19.2 0.1 . . . . . . . 92 ALA CB . 27268 1 816 . 2 2 73 73 ALA N N 15 119.8 0.1 . . . . . . . 92 ALA N . 27268 1 817 . 2 2 74 74 GLY H H 1 7.76 0.01 . . . . . . . 93 GLY H . 27268 1 818 . 2 2 74 74 GLY C C 13 174.3 0.1 . . . . . . . 93 GLY CO . 27268 1 819 . 2 2 74 74 GLY CA C 13 46.8 0.1 . . . . . . . 93 GLY CA . 27268 1 820 . 2 2 74 74 GLY N N 15 106.4 0.1 . . . . . . . 93 GLY N . 27268 1 821 . 2 2 75 75 ARG H H 1 7.49 0.01 . . . . . . . 94 ARG H . 27268 1 822 . 2 2 75 75 ARG HA H 1 4.82 0.01 . . . . . . . 94 ARG HA . 27268 1 823 . 2 2 75 75 ARG HB2 H 1 1.85 0.01 . . . . . . . 94 ARG HB2 . 27268 1 824 . 2 2 75 75 ARG HB3 H 1 1.61 0.01 . . . . . . . 94 ARG HB3 . 27268 1 825 . 2 2 75 75 ARG C C 13 174.2 0.1 . . . . . . . 94 ARG CO . 27268 1 826 . 2 2 75 75 ARG CA C 13 54.3 0.1 . . . . . . . 94 ARG CA . 27268 1 827 . 2 2 75 75 ARG CB C 13 34.3 0.1 . . . . . . . 94 ARG CB . 27268 1 828 . 2 2 75 75 ARG N N 15 113.4 0.1 . . . . . . . 94 ARG N . 27268 1 829 . 2 2 76 76 LEU H H 1 8.54 0.01 . . . . . . . 95 LEU H . 27268 1 830 . 2 2 76 76 LEU HA H 1 3.76 0.01 . . . . . . . 95 LEU HA . 27268 1 831 . 2 2 76 76 LEU C C 13 175.9 0.1 . . . . . . . 95 LEU CO . 27268 1 832 . 2 2 76 76 LEU CA C 13 55.3 0.1 . . . . . . . 95 LEU CA . 27268 1 833 . 2 2 76 76 LEU CB C 13 41.5 0.1 . . . . . . . 95 LEU CB . 27268 1 834 . 2 2 76 76 LEU N N 15 122.6 0.1 . . . . . . . 95 LEU N . 27268 1 835 . 2 2 77 77 LEU H H 1 9.25 0.01 . . . . . . . 96 LEU H . 27268 1 836 . 2 2 77 77 LEU HA H 1 4.22 0.01 . . . . . . . 96 LEU HA . 27268 1 837 . 2 2 77 77 LEU HB2 H 1 1.05 0.01 . . . . . . . 96 LEU HB2 . 27268 1 838 . 2 2 77 77 LEU HB3 H 1 0.20 0.01 . . . . . . . 96 LEU HB3 . 27268 1 839 . 2 2 77 77 LEU C C 13 176.8 0.1 . . . . . . . 96 LEU CO . 27268 1 840 . 2 2 77 77 LEU CA C 13 55.2 0.1 . . . . . . . 96 LEU CA . 27268 1 841 . 2 2 77 77 LEU CB C 13 42.9 0.1 . . . . . . . 96 LEU CB . 27268 1 842 . 2 2 77 77 LEU N N 15 127.6 0.1 . . . . . . . 96 LEU N . 27268 1 843 . 2 2 78 78 TRP H H 1 7.41 0.01 . . . . . . . 97 TRP H . 27268 1 844 . 2 2 78 78 TRP HA H 1 4.55 0.01 . . . . . . . 97 TRP HA . 27268 1 845 . 2 2 78 78 TRP HB2 H 1 3.28 0.01 . . . . . . . 97 TRP HB2 . 27268 1 846 . 2 2 78 78 TRP HB3 H 1 2.64 0.01 . . . . . . . 97 TRP HB3 . 27268 1 847 . 2 2 78 78 TRP C C 13 172.4 0.1 . . . . . . . 97 TRP CO . 27268 1 848 . 2 2 78 78 TRP CA C 13 58.5 0.1 . . . . . . . 97 TRP CA . 27268 1 849 . 2 2 78 78 TRP CB C 13 31.6 0.1 . . . . . . . 97 TRP CB . 27268 1 850 . 2 2 78 78 TRP N N 15 117.8 0.1 . . . . . . . 97 TRP N . 27268 1 851 . 2 2 79 79 GLU H H 1 7.68 0.01 . . . . . . . 98 GLU H . 27268 1 852 . 2 2 79 79 GLU C C 13 172.3 0.1 . . . . . . . 98 GLU CO . 27268 1 853 . 2 2 79 79 GLU CA C 13 54.0 0.1 . . . . . . . 98 GLU CA . 27268 1 854 . 2 2 79 79 GLU CB C 13 35.4 0.1 . . . . . . . 98 GLU CB . 27268 1 855 . 2 2 79 79 GLU N N 15 125.0 0.1 . . . . . . . 98 GLU N . 27268 1 856 . 2 2 80 80 GLN H H 1 8.75 0.01 . . . . . . . 99 GLN H . 27268 1 857 . 2 2 80 80 GLN HA H 1 4.35 0.01 . . . . . . . 99 GLN HA . 27268 1 858 . 2 2 80 80 GLN C C 13 174.6 0.1 . . . . . . . 99 GLN CO . 27268 1 859 . 2 2 80 80 GLN CA C 13 53.6 0.1 . . . . . . . 99 GLN CA . 27268 1 860 . 2 2 80 80 GLN CB C 13 33.0 0.1 . . . . . . . 99 GLN CB . 27268 1 861 . 2 2 80 80 GLN N N 15 121.1 0.1 . . . . . . . 99 GLN N . 27268 1 862 . 2 2 81 81 GLU H H 1 10.19 0.01 . . . . . . . 100 GLU H . 27268 1 863 . 2 2 81 81 GLU HA H 1 3.86 0.01 . . . . . . . 100 GLU HA . 27268 1 864 . 2 2 81 81 GLU C C 13 176.7 0.1 . . . . . . . 100 GLU CO . 27268 1 865 . 2 2 81 81 GLU CA C 13 57.1 0.1 . . . . . . . 100 GLU CA . 27268 1 866 . 2 2 81 81 GLU CB C 13 29.2 0.1 . . . . . . . 100 GLU CB . 27268 1 867 . 2 2 81 81 GLU N N 15 131.6 0.1 . . . . . . . 100 GLU N . 27268 1 868 . 2 2 82 82 LEU H H 1 8.32 0.01 . . . . . . . 101 LEU H . 27268 1 869 . 2 2 82 82 LEU HA H 1 4.13 0.01 . . . . . . . 101 LEU HA . 27268 1 870 . 2 2 82 82 LEU HB2 H 1 2.00 0.01 . . . . . . . 101 LEU HB2 . 27268 1 871 . 2 2 82 82 LEU HB3 H 1 1.16 0.01 . . . . . . . 101 LEU HB3 . 27268 1 872 . 2 2 82 82 LEU C C 13 174.0 0.1 . . . . . . . 101 LEU CO . 27268 1 873 . 2 2 82 82 LEU CA C 13 54.7 0.1 . . . . . . . 101 LEU CA . 27268 1 874 . 2 2 82 82 LEU CB C 13 41.0 0.1 . . . . . . . 101 LEU CB . 27268 1 875 . 2 2 82 82 LEU N N 15 127.2 0.1 . . . . . . . 101 LEU N . 27268 1 876 . 2 2 83 83 TYR H H 1 6.97 0.01 . . . . . . . 102 TYR H . 27268 1 877 . 2 2 83 83 TYR HA H 1 4.70 0.01 . . . . . . . 102 TYR HA . 27268 1 878 . 2 2 83 83 TYR C C 13 176.4 0.1 . . . . . . . 102 TYR CO . 27268 1 879 . 2 2 83 83 TYR CA C 13 55.3 0.1 . . . . . . . 102 TYR CA . 27268 1 880 . 2 2 83 83 TYR CB C 13 37.5 0.1 . . . . . . . 102 TYR CB . 27268 1 881 . 2 2 83 83 TYR N N 15 124.1 0.1 . . . . . . . 102 TYR N . 27268 1 882 . 2 2 84 84 SER H H 1 8.79 0.01 . . . . . . . 103 SER H . 27268 1 883 . 2 2 84 84 SER C C 13 175.0 0.1 . . . . . . . 103 SER CO . 27268 1 884 . 2 2 84 84 SER CA C 13 62.5 0.1 . . . . . . . 103 SER CA . 27268 1 885 . 2 2 84 84 SER N N 15 115.8 0.1 . . . . . . . 103 SER N . 27268 1 886 . 2 2 85 85 GLN H H 1 8.55 0.01 . . . . . . . 104 GLN H . 27268 1 887 . 2 2 85 85 GLN HA H 1 4.25 0.01 . . . . . . . 104 GLN HA . 27268 1 888 . 2 2 85 85 GLN C C 13 174.8 0.1 . . . . . . . 104 GLN CO . 27268 1 889 . 2 2 85 85 GLN CA C 13 56.7 0.1 . . . . . . . 104 GLN CA . 27268 1 890 . 2 2 85 85 GLN CB C 13 26.5 0.1 . . . . . . . 104 GLN CB . 27268 1 891 . 2 2 85 85 GLN N N 15 116.0 0.1 . . . . . . . 104 GLN N . 27268 1 892 . 2 2 86 86 LEU H H 1 6.75 0.01 . . . . . . . 105 LEU H . 27268 1 893 . 2 2 86 86 LEU HA H 1 3.60 0.01 . . . . . . . 105 LEU HA . 27268 1 894 . 2 2 86 86 LEU C C 13 175.4 0.1 . . . . . . . 105 LEU CO . 27268 1 895 . 2 2 86 86 LEU CA C 13 58.9 0.1 . . . . . . . 105 LEU CA . 27268 1 896 . 2 2 86 86 LEU CB C 13 41.5 0.1 . . . . . . . 105 LEU CB . 27268 1 897 . 2 2 86 86 LEU N N 15 124.4 0.1 . . . . . . . 105 LEU N . 27268 1 898 . 2 2 87 87 VAL H H 1 8.12 0.01 . . . . . . . 106 VAL H . 27268 1 899 . 2 2 87 87 VAL HA H 1 4.22 0.01 . . . . . . . 106 VAL HA . 27268 1 900 . 2 2 87 87 VAL HB H 1 2.07 0.01 . . . . . . . 106 VAL HB . 27268 1 901 . 2 2 87 87 VAL C C 13 174.4 0.1 . . . . . . . 106 VAL CO . 27268 1 902 . 2 2 87 87 VAL CA C 13 62.2 0.1 . . . . . . . 106 VAL CA . 27268 1 903 . 2 2 87 87 VAL CB C 13 33.4 0.1 . . . . . . . 106 VAL CB . 27268 1 904 . 2 2 87 87 VAL N N 15 126.8 0.1 . . . . . . . 106 VAL N . 27268 1 905 . 2 2 88 88 TYR H H 1 8.90 0.01 . . . . . . . 107 TYR H . 27268 1 906 . 2 2 88 88 TYR HA H 1 4.82 0.01 . . . . . . . 107 TYR HA . 27268 1 907 . 2 2 88 88 TYR HB2 H 1 3.00 0.01 . . . . . . . 107 TYR HB2 . 27268 1 908 . 2 2 88 88 TYR HB3 H 1 2.21 0.01 . . . . . . . 107 TYR HB3 . 27268 1 909 . 2 2 88 88 TYR C C 13 174.8 0.1 . . . . . . . 107 TYR CO . 27268 1 910 . 2 2 88 88 TYR CA C 13 58.1 0.1 . . . . . . . 107 TYR CA . 27268 1 911 . 2 2 88 88 TYR CB C 13 40.7 0.1 . . . . . . . 107 TYR CB . 27268 1 912 . 2 2 88 88 TYR N N 15 130.0 0.1 . . . . . . . 107 TYR N . 27268 1 913 . 2 2 89 89 SER H H 1 8.99 0.01 . . . . . . . 108 SER H . 27268 1 914 . 2 2 89 89 SER HA H 1 4.90 0.01 . . . . . . . 108 SER HA . 27268 1 915 . 2 2 89 89 SER HB2 H 1 3.84 0.01 . . . . . . . 108 SER HB . 27268 1 916 . 2 2 89 89 SER HB3 H 1 3.84 0.01 . . . . . . . 108 SER HB . 27268 1 917 . 2 2 89 89 SER C C 13 173.1 0.1 . . . . . . . 108 SER CO . 27268 1 918 . 2 2 89 89 SER CA C 13 57.9 0.1 . . . . . . . 108 SER CA . 27268 1 919 . 2 2 89 89 SER CB C 13 64.8 0.1 . . . . . . . 108 SER CB . 27268 1 920 . 2 2 89 89 SER N N 15 124.6 0.1 . . . . . . . 108 SER N . 27268 1 921 . 2 2 90 90 THR H H 1 8.70 0.01 . . . . . . . 109 THR H . 27268 1 922 . 2 2 90 90 THR CA C 13 55.2 0.1 . . . . . . . 109 THR CA . 27268 1 923 . 2 2 90 90 THR CB C 13 70.2 0.1 . . . . . . . 109 THR CB . 27268 1 924 . 2 2 90 90 THR N N 15 109.3 0.1 . . . . . . . 109 THR N . 27268 1 925 . 2 2 91 91 PRO HA H 1 4.40 0.01 . . . . . . . 110 PRO HA . 27268 1 926 . 2 2 91 91 PRO HB2 H 1 2.50 0.01 . . . . . . . 110 PRO HB2 . 27268 1 927 . 2 2 91 91 PRO HB3 H 1 2.04 0.01 . . . . . . . 110 PRO HB3 . 27268 1 928 . 2 2 91 91 PRO C C 13 177.4 0.1 . . . . . . . 110 PRO CO . 27268 1 929 . 2 2 91 91 PRO CA C 13 65.0 0.1 . . . . . . . 110 PRO CA . 27268 1 930 . 2 2 91 91 PRO CB C 13 32.4 0.1 . . . . . . . 110 PRO CB . 27268 1 931 . 2 2 92 92 THR H H 1 7.88 0.01 . . . . . . . 111 THR H . 27268 1 932 . 2 2 92 92 THR CA C 13 58.1 0.1 . . . . . . . 111 THR CA . 27268 1 933 . 2 2 92 92 THR CB C 13 70.6 0.1 . . . . . . . 111 THR CB . 27268 1 934 . 2 2 92 92 THR N N 15 107.1 0.1 . . . . . . . 111 THR N . 27268 1 935 . 2 2 93 93 PRO HA H 1 4.51 0.01 . . . . . . . 112 PRO HA . 27268 1 936 . 2 2 93 93 PRO HB2 H 1 2.50 0.01 . . . . . . . 112 PRO HB2 . 27268 1 937 . 2 2 93 93 PRO HB3 H 1 1.92 0.01 . . . . . . . 112 PRO HB3 . 27268 1 938 . 2 2 93 93 PRO C C 13 175.9 0.1 . . . . . . . 112 PRO CO . 27268 1 939 . 2 2 93 93 PRO CA C 13 64.5 0.1 . . . . . . . 112 PRO CA . 27268 1 940 . 2 2 93 93 PRO CB C 13 32.3 0.1 . . . . . . . 112 PRO CB . 27268 1 941 . 2 2 94 94 PHE H H 1 6.75 0.01 . . . . . . . 113 PHE H . 27268 1 942 . 2 2 94 94 PHE HA H 1 4.79 0.01 . . . . . . . 113 PHE HA . 27268 1 943 . 2 2 94 94 PHE HB2 H 1 4.10 0.01 . . . . . . . 113 PHE HB2 . 27268 1 944 . 2 2 94 94 PHE HB3 H 1 2.84 0.01 . . . . . . . 113 PHE HB3 . 27268 1 945 . 2 2 94 94 PHE C C 13 171.9 0.1 . . . . . . . 113 PHE CO . 27268 1 946 . 2 2 94 94 PHE CA C 13 54.2 0.1 . . . . . . . 113 PHE CA . 27268 1 947 . 2 2 94 94 PHE CB C 13 40.2 0.1 . . . . . . . 113 PHE CB . 27268 1 948 . 2 2 94 94 PHE N N 15 107.1 0.1 . . . . . . . 113 PHE N . 27268 1 949 . 2 2 95 95 PHE H H 1 7.06 0.01 . . . . . . . 114 PHE H . 27268 1 950 . 2 2 95 95 PHE HA H 1 6.11 0.01 . . . . . . . 114 PHE HA . 27268 1 951 . 2 2 95 95 PHE HB2 H 1 2.62 0.01 . . . . . . . 114 PHE HB . 27268 1 952 . 2 2 95 95 PHE HB3 H 1 2.62 0.01 . . . . . . . 114 PHE HB . 27268 1 953 . 2 2 95 95 PHE C C 13 172.5 0.1 . . . . . . . 114 PHE CO . 27268 1 954 . 2 2 95 95 PHE CA C 13 56.7 0.1 . . . . . . . 114 PHE CA . 27268 1 955 . 2 2 95 95 PHE CB C 13 42.1 0.1 . . . . . . . 114 PHE CB . 27268 1 956 . 2 2 95 95 PHE N N 15 125.7 0.1 . . . . . . . 114 PHE N . 27268 1 957 . 2 2 96 96 HIS H H 1 8.31 0.01 . . . . . . . 115 HIS H . 27268 1 958 . 2 2 96 96 HIS HA H 1 5.52 0.01 . . . . . . . 115 HIS HA . 27268 1 959 . 2 2 96 96 HIS HB2 H 1 3.18 0.01 . . . . . . . 115 HIS HB2 . 27268 1 960 . 2 2 96 96 HIS HB3 H 1 2.97 0.01 . . . . . . . 115 HIS HB3 . 27268 1 961 . 2 2 96 96 HIS C C 13 174.5 0.1 . . . . . . . 115 HIS CO . 27268 1 962 . 2 2 96 96 HIS CA C 13 51.5 0.1 . . . . . . . 115 HIS CA . 27268 1 963 . 2 2 96 96 HIS CB C 13 35.1 0.1 . . . . . . . 115 HIS CB . 27268 1 964 . 2 2 96 96 HIS N N 15 125.2 0.1 . . . . . . . 115 HIS N . 27268 1 965 . 2 2 97 97 THR H H 1 8.64 0.01 . . . . . . . 116 THR H . 27268 1 966 . 2 2 97 97 THR HA H 1 4.61 0.01 . . . . . . . 116 THR HA . 27268 1 967 . 2 2 97 97 THR C C 13 172.0 0.1 . . . . . . . 116 THR CO . 27268 1 968 . 2 2 97 97 THR CA C 13 58.9 0.1 . . . . . . . 116 THR CA . 27268 1 969 . 2 2 97 97 THR CB C 13 72.5 0.1 . . . . . . . 116 THR CB . 27268 1 970 . 2 2 97 97 THR N N 15 111.0 0.1 . . . . . . . 116 THR N . 27268 1 971 . 2 2 98 98 PHE H H 1 7.94 0.01 . . . . . . . 117 PHE H . 27268 1 972 . 2 2 98 98 PHE HA H 1 5.00 0.01 . . . . . . . 117 PHE HA . 27268 1 973 . 2 2 98 98 PHE HB2 H 1 3.00 0.01 . . . . . . . 117 PHE HB . 27268 1 974 . 2 2 98 98 PHE HB3 H 1 3.00 0.01 . . . . . . . 117 PHE HB . 27268 1 975 . 2 2 98 98 PHE C C 13 172.8 0.1 . . . . . . . 117 PHE CO . 27268 1 976 . 2 2 98 98 PHE CA C 13 56.1 0.1 . . . . . . . 117 PHE CA . 27268 1 977 . 2 2 98 98 PHE CB C 13 40.8 0.1 . . . . . . . 117 PHE CB . 27268 1 978 . 2 2 98 98 PHE N N 15 115.0 0.1 . . . . . . . 117 PHE N . 27268 1 979 . 2 2 99 99 ALA H H 1 9.39 0.01 . . . . . . . 118 ALA H . 27268 1 980 . 2 2 99 99 ALA HA H 1 4.76 0.01 . . . . . . . 118 ALA HA . 27268 1 981 . 2 2 99 99 ALA HB1 H 1 1.77 0.01 . . . . . . . 118 ALA HB . 27268 1 982 . 2 2 99 99 ALA HB2 H 1 1.77 0.01 . . . . . . . 118 ALA HB . 27268 1 983 . 2 2 99 99 ALA HB3 H 1 1.77 0.01 . . . . . . . 118 ALA HB . 27268 1 984 . 2 2 99 99 ALA C C 13 178.3 0.1 . . . . . . . 118 ALA CO . 27268 1 985 . 2 2 99 99 ALA CA C 13 52.4 0.1 . . . . . . . 118 ALA CA . 27268 1 986 . 2 2 99 99 ALA CB C 13 18.4 0.1 . . . . . . . 118 ALA CB . 27268 1 987 . 2 2 99 99 ALA N N 15 122.8 0.1 . . . . . . . 118 ALA N . 27268 1 988 . 2 2 100 100 GLY H H 1 8.81 0.01 . . . . . . . 119 GLY H . 27268 1 989 . 2 2 100 100 GLY HA2 H 1 4.92 0.01 . . . . . . . 119 GLY HA2 . 27268 1 990 . 2 2 100 100 GLY HA3 H 1 4.59 0.01 . . . . . . . 119 GLY HA3 . 27268 1 991 . 2 2 100 100 GLY C C 13 174.2 0.1 . . . . . . . 119 GLY CO . 27268 1 992 . 2 2 100 100 GLY CA C 13 43.4 0.1 . . . . . . . 119 GLY CA . 27268 1 993 . 2 2 100 100 GLY N N 15 115.6 0.1 . . . . . . . 119 GLY N . 27268 1 994 . 2 2 101 101 ASP H H 1 9.10 0.01 . . . . . . . 120 ASP H . 27268 1 995 . 2 2 101 101 ASP HA H 1 4.41 0.01 . . . . . . . 120 ASP HA . 27268 1 996 . 2 2 101 101 ASP HB2 H 1 2.79 0.01 . . . . . . . 120 ASP HB . 27268 1 997 . 2 2 101 101 ASP HB3 H 1 2.79 0.01 . . . . . . . 120 ASP HB . 27268 1 998 . 2 2 101 101 ASP C C 13 176.5 0.1 . . . . . . . 120 ASP CO . 27268 1 999 . 2 2 101 101 ASP CA C 13 58.3 0.1 . . . . . . . 120 ASP CA . 27268 1 1000 . 2 2 101 101 ASP CB C 13 42.0 0.1 . . . . . . . 120 ASP CB . 27268 1 1001 . 2 2 101 101 ASP N N 15 119.8 0.1 . . . . . . . 120 ASP N . 27268 1 1002 . 2 2 102 102 ASP H H 1 8.77 0.01 . . . . . . . 121 ASP H . 27268 1 1003 . 2 2 102 102 ASP HA H 1 5.04 0.01 . . . . . . . 121 ASP HA . 27268 1 1004 . 2 2 102 102 ASP HB2 H 1 2.63 0.01 . . . . . . . 121 ASP HB . 27268 1 1005 . 2 2 102 102 ASP HB3 H 1 2.63 0.01 . . . . . . . 121 ASP HB . 27268 1 1006 . 2 2 102 102 ASP C C 13 174.2 0.1 . . . . . . . 121 ASP CO . 27268 1 1007 . 2 2 102 102 ASP CA C 13 54.4 0.1 . . . . . . . 121 ASP CA . 27268 1 1008 . 2 2 102 102 ASP CB C 13 44.4 0.1 . . . . . . . 121 ASP CB . 27268 1 1009 . 2 2 102 102 ASP N N 15 112.8 0.1 . . . . . . . 121 ASP N . 27268 1 1010 . 2 2 103 103 CYS H H 1 7.28 0.01 . . . . . . . 122 CYS H . 27268 1 1011 . 2 2 103 103 CYS CA C 13 55.6 0.1 . . . . . . . 122 CYS CA . 27268 1 1012 . 2 2 103 103 CYS CB C 13 29.7 0.1 . . . . . . . 122 CYS CB . 27268 1 1013 . 2 2 103 103 CYS N N 15 110.4 0.1 . . . . . . . 122 CYS N . 27268 1 1014 . 2 2 104 104 GLN HA H 1 4.67 0.01 . . . . . . . 123 GLN HA . 27268 1 1015 . 2 2 104 104 GLN C C 13 174.4 0.1 . . . . . . . 123 GLN CO . 27268 1 1016 . 2 2 104 104 GLN CA C 13 57.5 0.1 . . . . . . . 123 GLN CA . 27268 1 1017 . 2 2 104 104 GLN CB C 13 28.2 0.1 . . . . . . . 123 GLN CB . 27268 1 1018 . 2 2 105 105 ALA H H 1 9.11 0.01 . . . . . . . 124 ALA H . 27268 1 1019 . 2 2 105 105 ALA HA H 1 5.38 0.01 . . . . . . . 124 ALA HA . 27268 1 1020 . 2 2 105 105 ALA HB1 H 1 0.90 0.01 . . . . . . . 124 ALA HB . 27268 1 1021 . 2 2 105 105 ALA HB2 H 1 0.90 0.01 . . . . . . . 124 ALA HB . 27268 1 1022 . 2 2 105 105 ALA HB3 H 1 0.90 0.01 . . . . . . . 124 ALA HB . 27268 1 1023 . 2 2 105 105 ALA C C 13 175.5 0.1 . . . . . . . 124 ALA CO . 27268 1 1024 . 2 2 105 105 ALA CA C 13 50.8 0.1 . . . . . . . 124 ALA CA . 27268 1 1025 . 2 2 105 105 ALA CB C 13 23.5 0.1 . . . . . . . 124 ALA CB . 27268 1 1026 . 2 2 105 105 ALA N N 15 129.2 0.1 . . . . . . . 124 ALA N . 27268 1 1027 . 2 2 106 106 GLY H H 1 8.83 0.01 . . . . . . . 125 GLY H . 27268 1 1028 . 2 2 106 106 GLY HA2 H 1 4.45 0.01 . . . . . . . 125 GLY HA2 . 27268 1 1029 . 2 2 106 106 GLY HA3 H 1 2.33 0.01 . . . . . . . 125 GLY HA3 . 27268 1 1030 . 2 2 106 106 GLY C C 13 170.8 0.1 . . . . . . . 125 GLY CO . 27268 1 1031 . 2 2 106 106 GLY CA C 13 44.5 0.1 . . . . . . . 125 GLY CA . 27268 1 1032 . 2 2 106 106 GLY N N 15 108.2 0.1 . . . . . . . 125 GLY N . 27268 1 1033 . 2 2 107 107 LEU H H 1 8.70 0.01 . . . . . . . 126 LEU H . 27268 1 1034 . 2 2 107 107 LEU HA H 1 4.74 0.01 . . . . . . . 126 LEU HA . 27268 1 1035 . 2 2 107 107 LEU HB2 H 1 1.72 0.01 . . . . . . . 126 LEU HB . 27268 1 1036 . 2 2 107 107 LEU HB3 H 1 1.72 0.01 . . . . . . . 126 LEU HB . 27268 1 1037 . 2 2 107 107 LEU C C 13 172.6 0.1 . . . . . . . 126 LEU CO . 27268 1 1038 . 2 2 107 107 LEU CA C 13 52.5 0.1 . . . . . . . 126 LEU CA . 27268 1 1039 . 2 2 107 107 LEU CB C 13 45.6 0.1 . . . . . . . 126 LEU CB . 27268 1 1040 . 2 2 107 107 LEU N N 15 123.3 0.1 . . . . . . . 126 LEU N . 27268 1 1041 . 2 2 108 108 ASN H H 1 9.01 0.01 . . . . . . . 127 ASN H . 27268 1 1042 . 2 2 108 108 ASN HA H 1 6.12 0.01 . . . . . . . 127 ASN HA . 27268 1 1043 . 2 2 108 108 ASN HB2 H 1 2.56 0.01 . . . . . . . 127 ASN HB . 27268 1 1044 . 2 2 108 108 ASN HB3 H 1 2.56 0.01 . . . . . . . 127 ASN HB . 27268 1 1045 . 2 2 108 108 ASN C C 13 175.1 0.1 . . . . . . . 127 ASN CO . 27268 1 1046 . 2 2 108 108 ASN CA C 13 51.0 0.1 . . . . . . . 127 ASN CA . 27268 1 1047 . 2 2 108 108 ASN CB C 13 42.2 0.1 . . . . . . . 127 ASN CB . 27268 1 1048 . 2 2 108 108 ASN N N 15 121.3 0.1 . . . . . . . 127 ASN N . 27268 1 1049 . 2 2 109 109 PHE H H 1 10.10 0.01 . . . . . . . 128 PHE H . 27268 1 1050 . 2 2 109 109 PHE HA H 1 4.74 0.01 . . . . . . . 128 PHE HA . 27268 1 1051 . 2 2 109 109 PHE C C 13 177.0 0.1 . . . . . . . 128 PHE CO . 27268 1 1052 . 2 2 109 109 PHE CA C 13 58.6 0.1 . . . . . . . 128 PHE CA . 27268 1 1053 . 2 2 109 109 PHE CB C 13 39.7 0.1 . . . . . . . 128 PHE CB . 27268 1 1054 . 2 2 109 109 PHE N N 15 124.4 0.1 . . . . . . . 128 PHE N . 27268 1 1055 . 2 2 110 110 ALA H H 1 7.79 0.01 . . . . . . . 129 ALA H . 27268 1 1056 . 2 2 110 110 ALA HA H 1 4.25 0.01 . . . . . . . 129 ALA HA . 27268 1 1057 . 2 2 110 110 ALA HB1 H 1 0.83 0.01 . . . . . . . 129 ALA HB . 27268 1 1058 . 2 2 110 110 ALA HB2 H 1 0.83 0.01 . . . . . . . 129 ALA HB . 27268 1 1059 . 2 2 110 110 ALA HB3 H 1 0.83 0.01 . . . . . . . 129 ALA HB . 27268 1 1060 . 2 2 110 110 ALA C C 13 177.4 0.1 . . . . . . . 129 ALA CO . 27268 1 1061 . 2 2 110 110 ALA CA C 13 53.5 0.1 . . . . . . . 129 ALA CA . 27268 1 1062 . 2 2 110 110 ALA CB C 13 18.0 0.1 . . . . . . . 129 ALA CB . 27268 1 1063 . 2 2 110 110 ALA N N 15 126.3 0.1 . . . . . . . 129 ALA N . 27268 1 1064 . 2 2 111 111 ASP H H 1 9.57 0.01 . . . . . . . 130 ASP H . 27268 1 1065 . 2 2 111 111 ASP HA H 1 5.13 0.01 . . . . . . . 130 ASP HA . 27268 1 1066 . 2 2 111 111 ASP HB2 H 1 2.81 0.01 . . . . . . . 130 ASP HB2 . 27268 1 1067 . 2 2 111 111 ASP HB3 H 1 2.54 0.01 . . . . . . . 130 ASP HB3 . 27268 1 1068 . 2 2 111 111 ASP C C 13 175.9 0.1 . . . . . . . 130 ASP CO . 27268 1 1069 . 2 2 111 111 ASP CA C 13 53.5 0.1 . . . . . . . 130 ASP CA . 27268 1 1070 . 2 2 111 111 ASP N N 15 120.0 0.1 . . . . . . . 130 ASP N . 27268 1 1071 . 2 2 112 112 GLU H H 1 9.18 0.01 . . . . . . . 131 GLU H . 27268 1 1072 . 2 2 112 112 GLU C C 13 178.9 0.1 . . . . . . . 131 GLU CO . 27268 1 1073 . 2 2 112 112 GLU CA C 13 60.2 0.1 . . . . . . . 131 GLU CA . 27268 1 1074 . 2 2 112 112 GLU CB C 13 29.5 0.1 . . . . . . . 131 GLU CB . 27268 1 1075 . 2 2 112 112 GLU N N 15 125.9 0.1 . . . . . . . 131 GLU N . 27268 1 1076 . 2 2 113 113 ASP H H 1 8.40 0.01 . . . . . . . 132 ASP H . 27268 1 1077 . 2 2 113 113 ASP HA H 1 4.72 0.01 . . . . . . . 132 ASP HA . 27268 1 1078 . 2 2 113 113 ASP HB2 H 1 3.16 0.01 . . . . . . . 132 ASP HB2 . 27268 1 1079 . 2 2 113 113 ASP HB3 H 1 2.74 0.01 . . . . . . . 132 ASP HB3 . 27268 1 1080 . 2 2 113 113 ASP C C 13 180.5 0.1 . . . . . . . 132 ASP CO . 27268 1 1081 . 2 2 113 113 ASP CA C 13 58.2 0.1 . . . . . . . 132 ASP CA . 27268 1 1082 . 2 2 113 113 ASP CB C 13 39.4 0.1 . . . . . . . 132 ASP CB . 27268 1 1083 . 2 2 113 113 ASP N N 15 122.6 0.1 . . . . . . . 132 ASP N . 27268 1 1084 . 2 2 114 114 GLU H H 1 9.13 0.01 . . . . . . . 133 GLU H . 27268 1 1085 . 2 2 114 114 GLU HA H 1 4.28 0.01 . . . . . . . 133 GLU HA . 27268 1 1086 . 2 2 114 114 GLU HB2 H 1 1.80 0.01 . . . . . . . 133 GLU HB . 27268 1 1087 . 2 2 114 114 GLU HB3 H 1 1.80 0.01 . . . . . . . 133 GLU HB . 27268 1 1088 . 2 2 114 114 GLU C C 13 180.5 0.1 . . . . . . . 133 GLU CO . 27268 1 1089 . 2 2 114 114 GLU CA C 13 60.7 0.1 . . . . . . . 133 GLU CA . 27268 1 1090 . 2 2 114 114 GLU CB C 13 29.9 0.1 . . . . . . . 133 GLU CB . 27268 1 1091 . 2 2 114 114 GLU N N 15 123.5 0.1 . . . . . . . 133 GLU N . 27268 1 1092 . 2 2 115 115 ALA H H 1 8.10 0.01 . . . . . . . 134 ALA H . 27268 1 1093 . 2 2 115 115 ALA HA H 1 2.85 0.01 . . . . . . . 134 ALA HA . 27268 1 1094 . 2 2 115 115 ALA HB1 H 1 0.87 0.01 . . . . . . . 134 ALA HB . 27268 1 1095 . 2 2 115 115 ALA HB2 H 1 0.87 0.01 . . . . . . . 134 ALA HB . 27268 1 1096 . 2 2 115 115 ALA HB3 H 1 0.87 0.01 . . . . . . . 134 ALA HB . 27268 1 1097 . 2 2 115 115 ALA C C 13 179.6 0.1 . . . . . . . 134 ALA CO . 27268 1 1098 . 2 2 115 115 ALA CA C 13 55.3 0.1 . . . . . . . 134 ALA CA . 27268 1 1099 . 2 2 115 115 ALA CB C 13 18.4 0.1 . . . . . . . 134 ALA CB . 27268 1 1100 . 2 2 115 115 ALA N N 15 122.2 0.1 . . . . . . . 134 ALA N . 27268 1 1101 . 2 2 116 116 GLN H H 1 8.05 0.01 . . . . . . . 135 GLN H . 27268 1 1102 . 2 2 116 116 GLN HA H 1 4.18 0.01 . . . . . . . 135 GLN HA . 27268 1 1103 . 2 2 116 116 GLN HB2 H 1 2.30 0.01 . . . . . . . 135 GLN HB . 27268 1 1104 . 2 2 116 116 GLN HB3 H 1 2.30 0.01 . . . . . . . 135 GLN HB . 27268 1 1105 . 2 2 116 116 GLN C C 13 178.5 0.1 . . . . . . . 135 GLN CO . 27268 1 1106 . 2 2 116 116 GLN CA C 13 58.8 0.1 . . . . . . . 135 GLN CA . 27268 1 1107 . 2 2 116 116 GLN CB C 13 28.0 0.1 . . . . . . . 135 GLN CB . 27268 1 1108 . 2 2 116 116 GLN N N 15 118.0 0.1 . . . . . . . 135 GLN N . 27268 1 1109 . 2 2 117 117 ALA H H 1 7.86 0.01 . . . . . . . 136 ALA H . 27268 1 1110 . 2 2 117 117 ALA HA H 1 4.21 0.01 . . . . . . . 136 ALA HA . 27268 1 1111 . 2 2 117 117 ALA HB1 H 1 1.65 0.01 . . . . . . . 136 ALA HB . 27268 1 1112 . 2 2 117 117 ALA HB2 H 1 1.65 0.01 . . . . . . . 136 ALA HB . 27268 1 1113 . 2 2 117 117 ALA HB3 H 1 1.65 0.01 . . . . . . . 136 ALA HB . 27268 1 1114 . 2 2 117 117 ALA C C 13 179.5 0.1 . . . . . . . 136 ALA CO . 27268 1 1115 . 2 2 117 117 ALA CA C 13 54.8 0.1 . . . . . . . 136 ALA CA . 27268 1 1116 . 2 2 117 117 ALA CB C 13 18.4 0.1 . . . . . . . 136 ALA CB . 27268 1 1117 . 2 2 117 117 ALA N N 15 122.0 0.1 . . . . . . . 136 ALA N . 27268 1 1118 . 2 2 118 118 PHE H H 1 8.13 0.01 . . . . . . . 137 PHE H . 27268 1 1119 . 2 2 118 118 PHE CA C 13 62.5 0.1 . . . . . . . 137 PHE CA . 27268 1 1120 . 2 2 118 118 PHE CB C 13 41.0 0.1 . . . . . . . 137 PHE CB . 27268 1 1121 . 2 2 118 118 PHE N N 15 120.6 0.1 . . . . . . . 137 PHE N . 27268 1 1122 . 2 2 119 119 ARG HA H 1 4.54 0.01 . . . . . . . 138 ARG HA . 27268 1 1123 . 2 2 119 119 ARG C C 13 177.3 0.1 . . . . . . . 138 ARG CO . 27268 1 1124 . 2 2 119 119 ARG CA C 13 58.8 0.1 . . . . . . . 138 ARG CA . 27268 1 1125 . 2 2 119 119 ARG CB C 13 29.4 0.1 . . . . . . . 138 ARG CB . 27268 1 1126 . 2 2 120 120 ALA H H 1 8.03 0.01 . . . . . . . 139 ALA H . 27268 1 1127 . 2 2 120 120 ALA HA H 1 3.90 0.01 . . . . . . . 139 ALA HA . 27268 1 1128 . 2 2 120 120 ALA HB1 H 1 1.45 0.01 . . . . . . . 139 ALA HB . 27268 1 1129 . 2 2 120 120 ALA HB2 H 1 1.45 0.01 . . . . . . . 139 ALA HB . 27268 1 1130 . 2 2 120 120 ALA HB3 H 1 1.45 0.01 . . . . . . . 139 ALA HB . 27268 1 1131 . 2 2 120 120 ALA C C 13 180.4 0.1 . . . . . . . 139 ALA CO . 27268 1 1132 . 2 2 120 120 ALA CA C 13 55.1 0.1 . . . . . . . 139 ALA CA . 27268 1 1133 . 2 2 120 120 ALA CB C 13 17.9 0.1 . . . . . . . 139 ALA CB . 27268 1 1134 . 2 2 120 120 ALA N N 15 119.3 0.1 . . . . . . . 139 ALA N . 27268 1 1135 . 2 2 121 121 LEU H H 1 7.11 0.01 . . . . . . . 140 LEU H . 27268 1 1136 . 2 2 121 121 LEU HA H 1 3.92 0.01 . . . . . . . 140 LEU HA . 27268 1 1137 . 2 2 121 121 LEU HB2 H 1 1.50 0.01 . . . . . . . 140 LEU HB2 . 27268 1 1138 . 2 2 121 121 LEU HB3 H 1 1.05 0.01 . . . . . . . 140 LEU HB3 . 27268 1 1139 . 2 2 121 121 LEU C C 13 178.2 0.1 . . . . . . . 140 LEU CO . 27268 1 1140 . 2 2 121 121 LEU CA C 13 55.7 0.1 . . . . . . . 140 LEU CA . 27268 1 1141 . 2 2 121 121 LEU CB C 13 41.0 0.1 . . . . . . . 140 LEU CB . 27268 1 1142 . 2 2 121 121 LEU N N 15 120.0 0.1 . . . . . . . 140 LEU N . 27268 1 1143 . 2 2 122 122 VAL H H 1 7.37 0.01 . . . . . . . 141 VAL H . 27268 1 1144 . 2 2 122 122 VAL HA H 1 2.45 0.01 . . . . . . . 141 VAL HA . 27268 1 1145 . 2 2 122 122 VAL HB H 1 0.89 0.01 . . . . . . . 141 VAL HB . 27268 1 1146 . 2 2 122 122 VAL C C 13 178.1 0.1 . . . . . . . 141 VAL CO . 27268 1 1147 . 2 2 122 122 VAL CA C 13 66.6 0.1 . . . . . . . 141 VAL CA . 27268 1 1148 . 2 2 122 122 VAL CB C 13 31.4 0.1 . . . . . . . 141 VAL CB . 27268 1 1149 . 2 2 122 122 VAL N N 15 118.0 0.1 . . . . . . . 141 VAL N . 27268 1 1150 . 2 2 123 123 GLN H H 1 8.17 0.01 . . . . . . . 142 GLN H . 27268 1 1151 . 2 2 123 123 GLN HA H 1 3.66 0.01 . . . . . . . 142 GLN HA . 27268 1 1152 . 2 2 123 123 GLN HB2 H 1 2.06 0.01 . . . . . . . 142 GLN HB . 27268 1 1153 . 2 2 123 123 GLN HB3 H 1 2.06 0.01 . . . . . . . 142 GLN HB . 27268 1 1154 . 2 2 123 123 GLN C C 13 178.3 0.1 . . . . . . . 142 GLN CO . 27268 1 1155 . 2 2 123 123 GLN CA C 13 58.8 0.1 . . . . . . . 142 GLN CA . 27268 1 1156 . 2 2 123 123 GLN CB C 13 27.4 0.1 . . . . . . . 142 GLN CB . 27268 1 1157 . 2 2 123 123 GLN N N 15 113.2 0.1 . . . . . . . 142 GLN N . 27268 1 1158 . 2 2 124 124 GLU H H 1 7.42 0.01 . . . . . . . 143 GLU H . 27268 1 1159 . 2 2 124 124 GLU CA C 13 58.9 0.1 . . . . . . . 143 GLU CA . 27268 1 1160 . 2 2 124 124 GLU CB C 13 29.8 0.1 . . . . . . . 143 GLU CB . 27268 1 1161 . 2 2 124 124 GLU N N 15 119.1 0.1 . . . . . . . 143 GLU N . 27268 1 1162 . 2 2 125 125 LYS HA H 1 3.97 0.01 . . . . . . . 144 LYS HA . 27268 1 1163 . 2 2 125 125 LYS C C 13 179.3 0.1 . . . . . . . 144 LYS CO . 27268 1 1164 . 2 2 125 125 LYS CA C 13 56.7 0.1 . . . . . . . 144 LYS CA . 27268 1 1165 . 2 2 125 125 LYS CB C 13 29.7 0.1 . . . . . . . 144 LYS CB . 27268 1 1166 . 2 2 126 126 ILE H H 1 7.98 0.01 . . . . . . . 145 ILE H . 27268 1 1167 . 2 2 126 126 ILE HA H 1 3.72 0.01 . . . . . . . 145 ILE HA . 27268 1 1168 . 2 2 126 126 ILE HB H 1 1.86 0.01 . . . . . . . 145 ILE HB . 27268 1 1169 . 2 2 126 126 ILE C C 13 178.0 0.1 . . . . . . . 145 ILE CO . 27268 1 1170 . 2 2 126 126 ILE CA C 13 64.4 0.1 . . . . . . . 145 ILE CA . 27268 1 1171 . 2 2 126 126 ILE CB C 13 38.1 0.1 . . . . . . . 145 ILE CB . 27268 1 1172 . 2 2 126 126 ILE N N 15 119.5 0.1 . . . . . . . 145 ILE N . 27268 1 1173 . 2 2 127 127 GLN H H 1 8.02 0.01 . . . . . . . 146 GLN H . 27268 1 1174 . 2 2 127 127 GLN HA H 1 4.12 0.01 . . . . . . . 146 GLN HA . 27268 1 1175 . 2 2 127 127 GLN HB2 H 1 2.17 0.01 . . . . . . . 146 GLN HB . 27268 1 1176 . 2 2 127 127 GLN HB3 H 1 2.17 0.01 . . . . . . . 146 GLN HB . 27268 1 1177 . 2 2 127 127 GLN C C 13 178.1 0.1 . . . . . . . 146 GLN CO . 27268 1 1178 . 2 2 127 127 GLN CA C 13 58.3 0.1 . . . . . . . 146 GLN CA . 27268 1 1179 . 2 2 127 127 GLN CB C 13 28.3 0.1 . . . . . . . 146 GLN CB . 27268 1 1180 . 2 2 127 127 GLN N N 15 119.1 0.1 . . . . . . . 146 GLN N . 27268 1 1181 . 2 2 128 128 LYS H H 1 8.09 0.01 . . . . . . . 147 LYS H . 27268 1 1182 . 2 2 128 128 LYS HA H 1 4.14 0.01 . . . . . . . 147 LYS HA . 27268 1 1183 . 2 2 128 128 LYS HB2 H 1 1.89 0.01 . . . . . . . 147 LYS HB . 27268 1 1184 . 2 2 128 128 LYS HB3 H 1 1.89 0.01 . . . . . . . 147 LYS HB . 27268 1 1185 . 2 2 128 128 LYS C C 13 178.2 0.1 . . . . . . . 147 LYS CO . 27268 1 1186 . 2 2 128 128 LYS CA C 13 58.2 0.1 . . . . . . . 147 LYS CA . 27268 1 1187 . 2 2 128 128 LYS CB C 13 32.1 0.1 . . . . . . . 147 LYS CB . 27268 1 1188 . 2 2 128 128 LYS N N 15 118.9 0.1 . . . . . . . 147 LYS N . 27268 1 1189 . 2 2 129 129 ARG H H 1 7.82 0.01 . . . . . . . 148 ARG H . 27268 1 1190 . 2 2 129 129 ARG HA H 1 4.24 0.01 . . . . . . . 148 ARG HA . 27268 1 1191 . 2 2 129 129 ARG HB2 H 1 1.96 0.01 . . . . . . . 148 ARG HB . 27268 1 1192 . 2 2 129 129 ARG HB3 H 1 1.96 0.01 . . . . . . . 148 ARG HB . 27268 1 1193 . 2 2 129 129 ARG C C 13 177.2 0.1 . . . . . . . 148 ARG CO . 27268 1 1194 . 2 2 129 129 ARG CA C 13 57.5 0.1 . . . . . . . 148 ARG CA . 27268 1 1195 . 2 2 129 129 ARG CB C 13 29.8 0.1 . . . . . . . 148 ARG CB . 27268 1 1196 . 2 2 129 129 ARG N N 15 119.1 0.1 . . . . . . . 148 ARG N . 27268 1 1197 . 2 2 130 130 ASN H H 1 8.12 0.01 . . . . . . . 149 ASN H . 27268 1 1198 . 2 2 130 130 ASN HA H 1 4.65 0.01 . . . . . . . 149 ASN HA . 27268 1 1199 . 2 2 130 130 ASN HB2 H 1 2.88 0.01 . . . . . . . 149 ASN HB2 . 27268 1 1200 . 2 2 130 130 ASN HB3 H 1 2.57 0.01 . . . . . . . 149 ASN HB3 . 27268 1 1201 . 2 2 130 130 ASN C C 13 175.9 0.1 . . . . . . . 149 ASN CO . 27268 1 1202 . 2 2 130 130 ASN CA C 13 54.0 0.1 . . . . . . . 149 ASN CA . 27268 1 1203 . 2 2 130 130 ASN CB C 13 38.9 0.1 . . . . . . . 149 ASN CB . 27268 1 1204 . 2 2 130 130 ASN N N 15 118.0 0.1 . . . . . . . 149 ASN N . 27268 1 1205 . 2 2 131 131 GLN H H 1 8.09 0.01 . . . . . . . 150 GLN H . 27268 1 1206 . 2 2 131 131 GLN HA H 1 4.52 0.01 . . . . . . . 150 GLN HA . 27268 1 1207 . 2 2 131 131 GLN C C 13 176.4 0.1 . . . . . . . 150 GLN CO . 27268 1 1208 . 2 2 131 131 GLN CA C 13 56.6 0.1 . . . . . . . 150 GLN CA . 27268 1 1209 . 2 2 131 131 GLN CB C 13 29.2 0.1 . . . . . . . 150 GLN CB . 27268 1 1210 . 2 2 131 131 GLN N N 15 120.0 0.1 . . . . . . . 150 GLN N . 27268 1 1211 . 2 2 132 132 ARG H H 1 8.17 0.01 . . . . . . . 151 ARG H . 27268 1 1212 . 2 2 132 132 ARG CA C 13 56.3 0.1 . . . . . . . 151 ARG CA . 27268 1 1213 . 2 2 132 132 ARG CB C 13 30.5 0.1 . . . . . . . 151 ARG CB . 27268 1 1214 . 2 2 132 132 ARG N N 15 121.1 0.1 . . . . . . . 151 ARG N . 27268 1 1215 . 2 2 133 133 GLN C C 13 176.2 0.1 . . . . . . . 152 GLN CO . 27268 1 1216 . 2 2 133 133 GLN CA C 13 56.7 0.1 . . . . . . . 152 GLN CA . 27268 1 1217 . 2 2 133 133 GLN CB C 13 29.7 0.1 . . . . . . . 152 GLN CB . 27268 1 1218 . 2 2 134 134 SER H H 1 8.34 0.01 . . . . . . . 153 SER H . 27268 1 1219 . 2 2 134 134 SER HA H 1 4.46 0.01 . . . . . . . 153 SER HA . 27268 1 1220 . 2 2 134 134 SER HB2 H 1 3.90 0.01 . . . . . . . 153 SER HB . 27268 1 1221 . 2 2 134 134 SER HB3 H 1 3.90 0.01 . . . . . . . 153 SER HB . 27268 1 1222 . 2 2 134 134 SER C C 13 175.0 0.1 . . . . . . . 153 SER CO . 27268 1 1223 . 2 2 134 134 SER CA C 13 58.7 0.1 . . . . . . . 153 SER CA . 27268 1 1224 . 2 2 134 134 SER CB C 13 64.2 0.1 . . . . . . . 153 SER CB . 27268 1 1225 . 2 2 134 134 SER N N 15 116.5 0.1 . . . . . . . 153 SER N . 27268 1 1226 . 2 2 135 135 GLY H H 1 8.51 0.01 . . . . . . . 154 GLY H . 27268 1 1227 . 2 2 135 135 GLY HA2 H 1 4.00 0.01 . . . . . . . 154 GLY HA . 27268 1 1228 . 2 2 135 135 GLY HA3 H 1 4.00 0.01 . . . . . . . 154 GLY HA . 27268 1 1229 . 2 2 135 135 GLY C C 13 173.9 0.1 . . . . . . . 154 GLY CO . 27268 1 1230 . 2 2 135 135 GLY CA C 13 45.5 0.1 . . . . . . . 154 GLY CA . 27268 1 1231 . 2 2 135 135 GLY N N 15 111.0 0.1 . . . . . . . 154 GLY N . 27268 1 1232 . 2 2 136 136 ASP H H 1 8.20 0.01 . . . . . . . 155 ASP H . 27268 1 1233 . 2 2 136 136 ASP HA H 1 4.60 0.01 . . . . . . . 155 ASP HA . 27268 1 1234 . 2 2 136 136 ASP HB2 H 1 2.70 0.01 . . . . . . . 155 ASP HB . 27268 1 1235 . 2 2 136 136 ASP HB3 H 1 2.70 0.01 . . . . . . . 155 ASP HB . 27268 1 1236 . 2 2 136 136 ASP C C 13 176.2 0.1 . . . . . . . 155 ASP CO . 27268 1 1237 . 2 2 136 136 ASP CA C 13 54.3 0.1 . . . . . . . 155 ASP CA . 27268 1 1238 . 2 2 136 136 ASP CB C 13 41.5 0.1 . . . . . . . 155 ASP CB . 27268 1 1239 . 2 2 136 136 ASP N N 15 120.2 0.1 . . . . . . . 155 ASP N . 27268 1 1240 . 2 2 137 137 ARG H H 1 8.24 0.01 . . . . . . . 156 ARG H . 27268 1 1241 . 2 2 137 137 ARG HA H 1 4.37 0.01 . . . . . . . 156 ARG HA . 27268 1 1242 . 2 2 137 137 ARG HB2 H 1 1.86 0.01 . . . . . . . 156 ARG HB . 27268 1 1243 . 2 2 137 137 ARG HB3 H 1 1.86 0.01 . . . . . . . 156 ARG HB . 27268 1 1244 . 2 2 137 137 ARG C C 13 176.1 0.1 . . . . . . . 156 ARG CO . 27268 1 1245 . 2 2 137 137 ARG CA C 13 56.0 0.1 . . . . . . . 156 ARG CA . 27268 1 1246 . 2 2 137 137 ARG CB C 13 30.6 0.1 . . . . . . . 156 ARG CB . 27268 1 1247 . 2 2 137 137 ARG N N 15 121.1 0.1 . . . . . . . 156 ARG N . 27268 1 1248 . 2 2 138 138 ARG H H 1 8.38 0.01 . . . . . . . 157 ARG H . 27268 1 1249 . 2 2 138 138 ARG C C 13 175.5 0.1 . . . . . . . 157 ARG CO . 27268 1 1250 . 2 2 138 138 ARG CA C 13 56.1 0.1 . . . . . . . 157 ARG CA . 27268 1 1251 . 2 2 138 138 ARG CB C 13 30.4 0.1 . . . . . . . 157 ARG CB . 27268 1 1252 . 2 2 138 138 ARG N N 15 122.8 0.1 . . . . . . . 157 ARG N . 27268 1 1253 . 2 2 139 139 GLN H H 1 7.99 0.01 . . . . . . . 158 GLN H . 27268 1 1254 . 2 2 139 139 GLN CA C 13 57.4 0.1 . . . . . . . 158 GLN CA . 27268 1 1255 . 2 2 139 139 GLN CB C 13 30.5 0.1 . . . . . . . 158 GLN CB . 27268 1 1256 . 2 2 139 139 GLN N N 15 126.1 0.1 . . . . . . . 158 GLN N . 27268 1 stop_ save_