data_18671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18671 _Entry.Title ; Solution structure of the complex between the Sgt2 homodimerization domain and the Get5 UBL domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-19 _Entry.Accession_date 2012-08-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Justin Chartron . W. . 18671 2 David VanderVelde . G. . 18671 3 William Clemons . M. Jr. 18671 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18671 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'four-helix bundle' . 18671 'GET pathway' . 18671 'protein-protein interaction' . 18671 'ubiquitin-like domain' . 18671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 18671 '15N chemical shifts' 136 18671 '1H chemical shifts' 948 18671 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 . . 2013-02-18 2012-08-19 update BMRB 'update entry citation' 18671 1 . . 2012-11-20 2012-08-19 original author 'original release' 18671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18669 'Get5 ubiquitin-like domain' 18671 BMRB 18670 'Sgt2 homodimerization domain' 18671 PDB 2lxa 'Solution structure of Get5 ubiquitin like domain' 18671 PDB 2lxb 'Solution structure of Sgt2 homodimerization domain' 18671 PDB 2LXC 'BMRB Entry Tracking System' 18671 PDB 4GOC 'Crystal structure of Get5 ubiquitin like domain' 18671 PDB 4GOD 'Crystal structure of SGTA homodimerization domain, the human homolog' 18671 PDB 4GOE 'Crystal structure of SGTA homodimerization domain, the human homolog' 18671 PDB 4GOF 'Crystal structure of SGTA homodimerization domain, the human homolog' 18671 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18671 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23142665 _Citation.Full_citation . _Citation.Title 'Structures of the Sgt2/SGTA dimerization domain with the Get5/UBL4A UBL domain reveal an interaction that forms a conserved dynamic interface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 2 _Citation.Journal_issue 6 _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 1620 _Citation.Page_last 1632 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Justin Chartron . W. . 18671 1 2 David VanderVelde . G. . 18671 1 3 William Clemons . M. Jr. 18671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18671 _Assembly.ID 1 _Assembly.Name 'complex between the Sgt2 homodimerization domain and the Get5 UBL domain' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Get5 1 $Get5 A . yes native no no . . . 18671 1 2 Sgt2_1 2 $Sgt2 B . yes native no no . . . 18671 1 3 Sgt2_2 2 $Sgt2 C . yes native no no . . . 18671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Get5 _Entity.Sf_category entity _Entity.Sf_framecode Get5 _Entity.Entry_ID 18671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Get5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVHLTLKKIQAPKFSIEHDF SPSDTILQIKQHLISEEKAS HISEIKLLLKGKVLHDNLFL SDLKVTPANSTITVMIKPNL E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'ubiquitin-like domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9170.889 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18342 . Get5_ubl . . . . . 96.30 97 100.00 100.00 4.85e-45 . . . . 18671 1 2 no BMRB 18669 . Get5 . . . . . 100.00 87 100.00 100.00 2.22e-47 . . . . 18671 1 3 no PDB 2LXA . "Solution Structure Of The Get5 Ubiquitin-like Domain" . . . . . 100.00 87 100.00 100.00 2.22e-47 . . . . 18671 1 4 no PDB 2LXC . "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" . . . . . 100.00 81 100.00 100.00 8.54e-48 . . . . 18671 1 5 no PDB 3ZDM . "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" . . . . . 96.30 81 100.00 100.00 1.22e-45 . . . . 18671 1 6 no PDB 4A20 . "Crystal Structure Of The Ubl Domain Of Mdy2 (get5) At 1.78a" . . . . . 96.30 98 100.00 100.00 4.63e-45 . . . . 18671 1 7 no PDB 4ASW . "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" . . . . . 96.30 83 100.00 100.00 1.93e-45 . . . . 18671 1 8 no PDB 4GOC . "Crystal Structure Of The Get5 Ubiquitin-like Domain" . . . . . 92.59 76 100.00 100.00 6.31e-43 . . . . 18671 1 9 no DBJ GAA26218 . "K7_Mdy2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.30 212 100.00 100.00 1.06e-44 . . . . 18671 1 10 no EMBL CAA88151 . "ORF [Saccharomyces cerevisiae]" . . . . . 96.30 212 100.00 100.00 9.37e-45 . . . . 18671 1 11 no EMBL CAA99130 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 96.30 212 100.00 100.00 9.37e-45 . . . . 18671 1 12 no EMBL CAY86179 . "Mdy2p [Saccharomyces cerevisiae EC1118]" . . . . . 96.30 212 100.00 100.00 9.37e-45 . . . . 18671 1 13 no GB AHY77206 . "Mdy2p [Saccharomyces cerevisiae YJM993]" . . . . . 96.30 212 100.00 100.00 1.04e-44 . . . . 18671 1 14 no GB AJP41438 . "Mdy2p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.30 212 100.00 100.00 1.04e-44 . . . . 18671 1 15 no GB AJT70857 . "Mdy2p [Saccharomyces cerevisiae YJM189]" . . . . . 96.30 212 100.00 100.00 1.04e-44 . . . . 18671 1 16 no GB AJT71348 . "Mdy2p [Saccharomyces cerevisiae YJM193]" . . . . . 96.30 212 100.00 100.00 1.04e-44 . . . . 18671 1 17 no GB AJT71834 . "Mdy2p [Saccharomyces cerevisiae YJM195]" . . . . . 96.30 212 100.00 100.00 8.78e-45 . . . . 18671 1 18 no REF NP_014530 . "Mdy2p [Saccharomyces cerevisiae S288c]" . . . . . 96.30 212 100.00 100.00 9.37e-45 . . . . 18671 1 19 no SP Q12285 . "RecName: Full=Ubiquitin-like protein MDY2; AltName: Full=Golgi to ER traffic protein 5; AltName: Full=Mating-deficient protein " . . . . . 96.30 212 100.00 100.00 9.37e-45 . . . . 18671 1 20 no TPG DAA10672 . "TPA: Mdy2p [Saccharomyces cerevisiae S288c]" . . . . . 96.30 212 100.00 100.00 9.37e-45 . . . . 18671 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 73 MET . 18671 1 2 74 VAL . 18671 1 3 75 HIS . 18671 1 4 76 LEU . 18671 1 5 77 THR . 18671 1 6 78 LEU . 18671 1 7 79 LYS . 18671 1 8 80 LYS . 18671 1 9 81 ILE . 18671 1 10 82 GLN . 18671 1 11 83 ALA . 18671 1 12 84 PRO . 18671 1 13 85 LYS . 18671 1 14 86 PHE . 18671 1 15 87 SER . 18671 1 16 88 ILE . 18671 1 17 89 GLU . 18671 1 18 90 HIS . 18671 1 19 91 ASP . 18671 1 20 92 PHE . 18671 1 21 93 SER . 18671 1 22 94 PRO . 18671 1 23 95 SER . 18671 1 24 96 ASP . 18671 1 25 97 THR . 18671 1 26 98 ILE . 18671 1 27 99 LEU . 18671 1 28 100 GLN . 18671 1 29 101 ILE . 18671 1 30 102 LYS . 18671 1 31 103 GLN . 18671 1 32 104 HIS . 18671 1 33 105 LEU . 18671 1 34 106 ILE . 18671 1 35 107 SER . 18671 1 36 108 GLU . 18671 1 37 109 GLU . 18671 1 38 110 LYS . 18671 1 39 111 ALA . 18671 1 40 112 SER . 18671 1 41 113 HIS . 18671 1 42 114 ILE . 18671 1 43 115 SER . 18671 1 44 116 GLU . 18671 1 45 117 ILE . 18671 1 46 118 LYS . 18671 1 47 119 LEU . 18671 1 48 120 LEU . 18671 1 49 121 LEU . 18671 1 50 122 LYS . 18671 1 51 123 GLY . 18671 1 52 124 LYS . 18671 1 53 125 VAL . 18671 1 54 126 LEU . 18671 1 55 127 HIS . 18671 1 56 128 ASP . 18671 1 57 129 ASN . 18671 1 58 130 LEU . 18671 1 59 131 PHE . 18671 1 60 132 LEU . 18671 1 61 133 SER . 18671 1 62 134 ASP . 18671 1 63 135 LEU . 18671 1 64 136 LYS . 18671 1 65 137 VAL . 18671 1 66 138 THR . 18671 1 67 139 PRO . 18671 1 68 140 ALA . 18671 1 69 141 ASN . 18671 1 70 142 SER . 18671 1 71 143 THR . 18671 1 72 144 ILE . 18671 1 73 145 THR . 18671 1 74 146 VAL . 18671 1 75 147 MET . 18671 1 76 148 ILE . 18671 1 77 149 LYS . 18671 1 78 150 PRO . 18671 1 79 151 ASN . 18671 1 80 152 LEU . 18671 1 81 153 GLU . 18671 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18671 1 . VAL 2 2 18671 1 . HIS 3 3 18671 1 . LEU 4 4 18671 1 . THR 5 5 18671 1 . LEU 6 6 18671 1 . LYS 7 7 18671 1 . LYS 8 8 18671 1 . ILE 9 9 18671 1 . GLN 10 10 18671 1 . ALA 11 11 18671 1 . PRO 12 12 18671 1 . LYS 13 13 18671 1 . PHE 14 14 18671 1 . SER 15 15 18671 1 . ILE 16 16 18671 1 . GLU 17 17 18671 1 . HIS 18 18 18671 1 . ASP 19 19 18671 1 . PHE 20 20 18671 1 . SER 21 21 18671 1 . PRO 22 22 18671 1 . SER 23 23 18671 1 . ASP 24 24 18671 1 . THR 25 25 18671 1 . ILE 26 26 18671 1 . LEU 27 27 18671 1 . GLN 28 28 18671 1 . ILE 29 29 18671 1 . LYS 30 30 18671 1 . GLN 31 31 18671 1 . HIS 32 32 18671 1 . LEU 33 33 18671 1 . ILE 34 34 18671 1 . SER 35 35 18671 1 . GLU 36 36 18671 1 . GLU 37 37 18671 1 . LYS 38 38 18671 1 . ALA 39 39 18671 1 . SER 40 40 18671 1 . HIS 41 41 18671 1 . ILE 42 42 18671 1 . SER 43 43 18671 1 . GLU 44 44 18671 1 . ILE 45 45 18671 1 . LYS 46 46 18671 1 . LEU 47 47 18671 1 . LEU 48 48 18671 1 . LEU 49 49 18671 1 . LYS 50 50 18671 1 . GLY 51 51 18671 1 . LYS 52 52 18671 1 . VAL 53 53 18671 1 . LEU 54 54 18671 1 . HIS 55 55 18671 1 . ASP 56 56 18671 1 . ASN 57 57 18671 1 . LEU 58 58 18671 1 . PHE 59 59 18671 1 . LEU 60 60 18671 1 . SER 61 61 18671 1 . ASP 62 62 18671 1 . LEU 63 63 18671 1 . LYS 64 64 18671 1 . VAL 65 65 18671 1 . THR 66 66 18671 1 . PRO 67 67 18671 1 . ALA 68 68 18671 1 . ASN 69 69 18671 1 . SER 70 70 18671 1 . THR 71 71 18671 1 . ILE 72 72 18671 1 . THR 73 73 18671 1 . VAL 74 74 18671 1 . MET 75 75 18671 1 . ILE 76 76 18671 1 . LYS 77 77 18671 1 . PRO 78 78 18671 1 . ASN 79 79 18671 1 . LEU 80 80 18671 1 . GLU 81 81 18671 1 stop_ save_ save_Sgt2 _Entity.Sf_category entity _Entity.Sf_framecode Sgt2 _Entity.Entry_ID 18671 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Sgt2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SVDSASKEEIAALIVNYFSS IVEKKEISEDGADSLNVAMD CISEAFGFEREAVSGILGKS EFKGQHLADILNSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7889.790 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18341 . Sgt2_nt . . . . . 95.95 92 100.00 100.00 1.44e-40 . . . . 18671 2 2 no BMRB 18670 . Sgt2 . . . . . 100.00 74 100.00 100.00 2.25e-42 . . . . 18671 2 3 no PDB 2LXB . "Solution Structure Of The Sgt2 Homodimerization Domain" . . . . . 100.00 74 100.00 100.00 2.25e-42 . . . . 18671 2 4 no PDB 2LXC . "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" . . . . . 100.00 74 100.00 100.00 2.25e-42 . . . . 18671 2 5 no PDB 3ZDM . "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" . . . . . 95.95 72 100.00 100.00 2.24e-40 . . . . 18671 2 6 no PDB 4ASV . "Solution Structure Of The N-terminal Dimerisation Domain Of Sgt2" . . . . . 95.95 92 100.00 100.00 1.46e-40 . . . . 18671 2 7 no PDB 4ASW . "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" . . . . . 95.95 92 100.00 100.00 1.46e-40 . . . . 18671 2 8 no DBJ GAA26330 . "K7_Sgt2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 9 no EMBL CAA99195 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 10 no EMBL CAY86295 . "Sgt2p [Saccharomyces cerevisiae EC1118]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 11 no GB AAC49487 . "hypothetical protein UNF346 [Saccharomyces cerevisiae]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 12 no GB AHY77314 . "Sgt2p [Saccharomyces cerevisiae YJM993]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 13 no GB EDN63877 . "small glutamine-rich tetratricopeptide repeat-containing protein [Saccharomyces cerevisiae YJM789]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 14 no GB EDV10615 . "small glutamine-rich tetratricopeptide repeat-containing protein 2 [Saccharomyces cerevisiae RM11-1a]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 15 no GB EDZ69384 . "YOR007Cp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 95.95 189 100.00 100.00 5.01e-40 . . . . 18671 2 16 no REF NP_014649 . "Sgt2p [Saccharomyces cerevisiae S288c]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 17 no SP Q12118 . "RecName: Full=Small glutamine-rich tetratricopeptide repeat-containing protein 2; AltName: Full=SGT/UBP; AltName: Full=Viral pr" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 18 no TPG DAA10789 . "TPA: Sgt2p [Saccharomyces cerevisiae S288c]" . . . . . 95.95 346 100.00 100.00 6.13e-39 . . . . 18671 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 SER . 18671 2 2 -1 VAL . 18671 2 3 1 ASP . 18671 2 4 2 SER . 18671 2 5 3 ALA . 18671 2 6 4 SER . 18671 2 7 5 LYS . 18671 2 8 6 GLU . 18671 2 9 7 GLU . 18671 2 10 8 ILE . 18671 2 11 9 ALA . 18671 2 12 10 ALA . 18671 2 13 11 LEU . 18671 2 14 12 ILE . 18671 2 15 13 VAL . 18671 2 16 14 ASN . 18671 2 17 15 TYR . 18671 2 18 16 PHE . 18671 2 19 17 SER . 18671 2 20 18 SER . 18671 2 21 19 ILE . 18671 2 22 20 VAL . 18671 2 23 21 GLU . 18671 2 24 22 LYS . 18671 2 25 23 LYS . 18671 2 26 24 GLU . 18671 2 27 25 ILE . 18671 2 28 26 SER . 18671 2 29 27 GLU . 18671 2 30 28 ASP . 18671 2 31 29 GLY . 18671 2 32 30 ALA . 18671 2 33 31 ASP . 18671 2 34 32 SER . 18671 2 35 33 LEU . 18671 2 36 34 ASN . 18671 2 37 35 VAL . 18671 2 38 36 ALA . 18671 2 39 37 MET . 18671 2 40 38 ASP . 18671 2 41 39 CYS . 18671 2 42 40 ILE . 18671 2 43 41 SER . 18671 2 44 42 GLU . 18671 2 45 43 ALA . 18671 2 46 44 PHE . 18671 2 47 45 GLY . 18671 2 48 46 PHE . 18671 2 49 47 GLU . 18671 2 50 48 ARG . 18671 2 51 49 GLU . 18671 2 52 50 ALA . 18671 2 53 51 VAL . 18671 2 54 52 SER . 18671 2 55 53 GLY . 18671 2 56 54 ILE . 18671 2 57 55 LEU . 18671 2 58 56 GLY . 18671 2 59 57 LYS . 18671 2 60 58 SER . 18671 2 61 59 GLU . 18671 2 62 60 PHE . 18671 2 63 61 LYS . 18671 2 64 62 GLY . 18671 2 65 63 GLN . 18671 2 66 64 HIS . 18671 2 67 65 LEU . 18671 2 68 66 ALA . 18671 2 69 67 ASP . 18671 2 70 68 ILE . 18671 2 71 69 LEU . 18671 2 72 70 ASN . 18671 2 73 71 SER . 18671 2 74 72 ALA . 18671 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 . SER 1 1 18671 2 . VAL 2 2 18671 2 . ASP 3 3 18671 2 . SER 4 4 18671 2 . ALA 5 5 18671 2 . SER 6 6 18671 2 . LYS 7 7 18671 2 . GLU 8 8 18671 2 . GLU 9 9 18671 2 . ILE 10 10 18671 2 . ALA 11 11 18671 2 . ALA 12 12 18671 2 . LEU 13 13 18671 2 . ILE 14 14 18671 2 . VAL 15 15 18671 2 . ASN 16 16 18671 2 . TYR 17 17 18671 2 . PHE 18 18 18671 2 . SER 19 19 18671 2 . SER 20 20 18671 2 . ILE 21 21 18671 2 . VAL 22 22 18671 2 . GLU 23 23 18671 2 . LYS 24 24 18671 2 . LYS 25 25 18671 2 . GLU 26 26 18671 2 . ILE 27 27 18671 2 . SER 28 28 18671 2 . GLU 29 29 18671 2 . ASP 30 30 18671 2 . GLY 31 31 18671 2 . ALA 32 32 18671 2 . ASP 33 33 18671 2 . SER 34 34 18671 2 . LEU 35 35 18671 2 . ASN 36 36 18671 2 . VAL 37 37 18671 2 . ALA 38 38 18671 2 . MET 39 39 18671 2 . ASP 40 40 18671 2 . CYS 41 41 18671 2 . ILE 42 42 18671 2 . SER 43 43 18671 2 . GLU 44 44 18671 2 . ALA 45 45 18671 2 . PHE 46 46 18671 2 . GLY 47 47 18671 2 . PHE 48 48 18671 2 . GLU 49 49 18671 2 . ARG 50 50 18671 2 . GLU 51 51 18671 2 . ALA 52 52 18671 2 . VAL 53 53 18671 2 . SER 54 54 18671 2 . GLY 55 55 18671 2 . ILE 56 56 18671 2 . LEU 57 57 18671 2 . GLY 58 58 18671 2 . LYS 59 59 18671 2 . SER 60 60 18671 2 . GLU 61 61 18671 2 . PHE 62 62 18671 2 . LYS 63 63 18671 2 . GLY 64 64 18671 2 . GLN 65 65 18671 2 . HIS 66 66 18671 2 . LEU 67 67 18671 2 . ALA 68 68 18671 2 . ASP 69 69 18671 2 . ILE 70 70 18671 2 . LEU 71 71 18671 2 . ASN 72 72 18671 2 . SER 73 73 18671 2 . ALA 74 74 18671 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 18671 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Get5 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Get5 . . . . 18671 1 2 2 $Sgt2 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Sgt2 . . . . 18671 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 18671 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Get5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli NiCo21(DE3) . . . . . . . . . . . . . . . pET33b . . . . . . 18671 1 2 2 $Sgt2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli NiCo21(DE3) . . . . . . . . . . . . . . . pET33b . . . . . . 18671 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18671 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Saturated complex between labeled Sgt2 and unlabeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Get5 'natural abundance' . . 1 $Get5 . . 1 . . mM . . . . 18671 1 2 Sgt2 '[U-100% 13C; U-100% 15N]' . . 2 $Sgt2 . . 2 . . mM . . . . 18671 1 3 Bis-Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18671 1 4 L-arginine 'natural abundance' . . . . . . 50 . . mM . . . . 18671 1 5 'L-glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 18671 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18671 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18671 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18671 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18671 _Sample.ID 2 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details 'Saturated complex between labeled Sgt2 and unlabeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Get5 'natural abundance' . . 1 $Get5 . . 1 . . mM . . . . 18671 2 2 Sgt2 '[U-100% 13C; U-100% 15N]' . . 2 $Sgt2 . . 2 . . mM . . . . 18671 2 3 Bis-Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18671 2 4 L-arginine 'natural abundance' . . . . . . 50 . . mM . . . . 18671 2 5 'L-glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 18671 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18671 2 7 polyacrylamide 'natural abundance' . . . . . . 3.5 . . % . . . . 18671 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18671 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18671 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18671 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Saturated complex between unlabeled Sgt2 and labeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Get5 '[U-100% 13C; U-100% 15N]' . . 1 $Get5 . . 1 . . mM . . . . 18671 3 2 Sgt2 'natural abundance' . . 2 $Sgt2 . . 2 . . mM . . . . 18671 3 3 Bis-Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18671 3 4 L-arginine 'natural abundance' . . . . . . 50 . . mM . . . . 18671 3 5 'L-glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 18671 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18671 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18671 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18671 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18671 _Sample.ID 4 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details 'Saturated complex between unlabeled Sgt2 and labeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 Get5 '[U-100% 13C; U-100% 15N]' . . 1 $Get5 . . 1 . . mM . . . . 18671 4 2 Sgt2 'natural abundance' . . 2 $Sgt2 . . 2 . . mM . . . . 18671 4 3 Bis-Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18671 4 4 L-arginine 'natural abundance' . . . . . . 50 . . mM . . . . 18671 4 5 'L-glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 18671 4 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18671 4 7 polyacrylamide 'natural abundance' . . . . . . 3.5 . . % . . . . 18671 4 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18671 4 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18671 4 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 18671 _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 . mM 18671 1 pH 6.1 . pH 18671 1 pressure 1 . atm 18671 1 temperature 310 . K 18671 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18671 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18671 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18671 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18671 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18671 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18671 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18671 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18671 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18671 _Software.ID 4 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18671 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18671 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18671 _Software.ID 5 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18671 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18671 5 'structure solution' 18671 5 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 18671 _Software.ID 6 _Software.Name HADDOCK _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 18671 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18671 6 'structure solution' 18671 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18671 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18671 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18671 7 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18671 _Software.ID 8 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zweckstetter and Bax' . . 18671 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18671 8 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 18671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18671 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18671 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18671 1 2 spectrometer_2 Bruker Avance . 800 . . . 18671 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 18671 _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 . . . . . . . . . . . . . . . . 18671 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18671 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18671 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 9 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18671 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18671 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18671 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 18671 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.658 internal indirect 0.251457 . . . . . . . . . 18671 1 H 1 water protons . . . . ppm 4.658 internal direct 1.0 . . . . . . . . . 18671 1 N 15 water protons . . . . ppm 4.658 internal indirect 0.1013401 . . . . . . . . . 18671 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 18671 _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 'These are shifts for chain A' _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' . . . 18671 1 2 '3D 1H-15N NOESY' . . . 18671 1 3 '3D 1H-15N TOCSY' . . . 18671 1 4 '2D 1H-13C HSQC aliphatic' . . . 18671 1 5 '2D 1H-13C HSQC aromatic' . . . 18671 1 6 '2D 1H-15N HSQC' . . . 18671 1 7 '3D HNCACB' . . . 18671 1 8 '3D HNCO' . . . 18671 1 9 '3D (H)CCH-TOCSY' . . . 18671 1 10 '3D HCCH-TOCSY' . . . 18671 1 11 '3D 1H-15N NOESY' . . . 18671 1 12 '3D 1H-13C NOESY aliphatic' . . . 18671 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.144 0.004 . 1 . . . A 73 MET HA . 18671 1 2 . 1 1 1 1 MET HB2 H 1 2.543 0.003 . 2 . . . A 73 MET HB2 . 18671 1 3 . 1 1 1 1 MET HB3 H 1 2.657 0.002 . 2 . . . A 73 MET HB3 . 18671 1 4 . 1 1 1 1 MET HG3 H 1 2.007 0 . 1 . . . A 73 MET HG3 . 18671 1 5 . 1 1 1 1 MET HE1 H 1 1.88 0 . 1 . . . A 73 MET HE1 . 18671 1 6 . 1 1 1 1 MET HE2 H 1 1.88 0 . 1 . . . A 73 MET HE2 . 18671 1 7 . 1 1 1 1 MET HE3 H 1 1.88 0 . 1 . . . A 73 MET HE3 . 18671 1 8 . 1 1 1 1 MET C C 13 173.034 0 . 1 . . . A 73 MET C . 18671 1 9 . 1 1 1 1 MET CA C 13 54.805 0.032 . 1 . . . A 73 MET CA . 18671 1 10 . 1 1 1 1 MET CB C 13 31.838 0.003 . 1 . . . A 73 MET CB . 18671 1 11 . 1 1 1 1 MET CG C 13 33.657 0 . 1 . . . A 73 MET CG . 18671 1 12 . 1 1 1 1 MET CE C 13 17.048 0 . 1 . . . A 73 MET CE . 18671 1 13 . 1 1 2 2 VAL H H 1 9.282 0.003 . 1 . . . A 74 VAL H . 18671 1 14 . 1 1 2 2 VAL HA H 1 3.631 0.002 . 1 . . . A 74 VAL HA . 18671 1 15 . 1 1 2 2 VAL HB H 1 2.103 0 . 1 . . . A 74 VAL HB . 18671 1 16 . 1 1 2 2 VAL HG11 H 1 0.948 0.004 . 2 . . . A 74 VAL HG11 . 18671 1 17 . 1 1 2 2 VAL HG12 H 1 0.948 0.004 . 2 . . . A 74 VAL HG12 . 18671 1 18 . 1 1 2 2 VAL HG13 H 1 0.948 0.004 . 2 . . . A 74 VAL HG13 . 18671 1 19 . 1 1 2 2 VAL HG21 H 1 0.859 0.007 . 2 . . . A 74 VAL HG21 . 18671 1 20 . 1 1 2 2 VAL HG22 H 1 0.859 0.007 . 2 . . . A 74 VAL HG22 . 18671 1 21 . 1 1 2 2 VAL HG23 H 1 0.859 0.007 . 2 . . . A 74 VAL HG23 . 18671 1 22 . 1 1 2 2 VAL C C 13 174.219 0 . 1 . . . A 74 VAL C . 18671 1 23 . 1 1 2 2 VAL CA C 13 61.346 0.044 . 1 . . . A 74 VAL CA . 18671 1 24 . 1 1 2 2 VAL CB C 13 33.246 0 . 1 . . . A 74 VAL CB . 18671 1 25 . 1 1 2 2 VAL CG1 C 13 20.323 0 . 2 . . . A 74 VAL CG1 . 18671 1 26 . 1 1 2 2 VAL CG2 C 13 20.122 0.03 . 2 . . . A 74 VAL CG2 . 18671 1 27 . 1 1 2 2 VAL N N 15 121.256 0.042 . 1 . . . A 74 VAL N . 18671 1 28 . 1 1 3 3 HIS H H 1 8.815 0.003 . 1 . . . A 75 HIS H . 18671 1 29 . 1 1 3 3 HIS HA H 1 4.423 0 . 1 . . . A 75 HIS HA . 18671 1 30 . 1 1 3 3 HIS HB2 H 1 3.204 0 . 2 . . . A 75 HIS HB2 . 18671 1 31 . 1 1 3 3 HIS HB3 H 1 3.077 0 . 2 . . . A 75 HIS HB3 . 18671 1 32 . 1 1 3 3 HIS HD1 H 1 7.352 0 . 1 . . . A 75 HIS HD1 . 18671 1 33 . 1 1 3 3 HIS HE1 H 1 7.057 0 . 1 . . . A 75 HIS HE1 . 18671 1 34 . 1 1 3 3 HIS C C 13 173.419 0 . 1 . . . A 75 HIS C . 18671 1 35 . 1 1 3 3 HIS CA C 13 57.19 0.001 . 1 . . . A 75 HIS CA . 18671 1 36 . 1 1 3 3 HIS CB C 13 28.981 0.029 . 1 . . . A 75 HIS CB . 18671 1 37 . 1 1 3 3 HIS N N 15 128.118 0.057 . 1 . . . A 75 HIS N . 18671 1 38 . 1 1 4 4 LEU H H 1 8.256 0.002 . 1 . . . A 76 LEU H . 18671 1 39 . 1 1 4 4 LEU HA H 1 5.137 0.006 . 1 . . . A 76 LEU HA . 18671 1 40 . 1 1 4 4 LEU HB2 H 1 1.688 0.005 . 2 . . . A 76 LEU HB2 . 18671 1 41 . 1 1 4 4 LEU HB3 H 1 1.35 0.011 . 2 . . . A 76 LEU HB3 . 18671 1 42 . 1 1 4 4 LEU HG H 1 1.681 0 . 1 . . . A 76 LEU HG . 18671 1 43 . 1 1 4 4 LEU HD11 H 1 0.664 0.001 . 2 . . . A 76 LEU HD11 . 18671 1 44 . 1 1 4 4 LEU HD12 H 1 0.664 0.001 . 2 . . . A 76 LEU HD12 . 18671 1 45 . 1 1 4 4 LEU HD13 H 1 0.664 0.001 . 2 . . . A 76 LEU HD13 . 18671 1 46 . 1 1 4 4 LEU HD21 H 1 0.828 0.006 . 2 . . . A 76 LEU HD21 . 18671 1 47 . 1 1 4 4 LEU HD22 H 1 0.828 0.006 . 2 . . . A 76 LEU HD22 . 18671 1 48 . 1 1 4 4 LEU HD23 H 1 0.828 0.006 . 2 . . . A 76 LEU HD23 . 18671 1 49 . 1 1 4 4 LEU C C 13 175.528 0 . 1 . . . A 76 LEU C . 18671 1 50 . 1 1 4 4 LEU CA C 13 53.403 0.078 . 1 . . . A 76 LEU CA . 18671 1 51 . 1 1 4 4 LEU CB C 13 46.589 0.053 . 1 . . . A 76 LEU CB . 18671 1 52 . 1 1 4 4 LEU CG C 13 26.674 0 . 1 . . . A 76 LEU CG . 18671 1 53 . 1 1 4 4 LEU CD1 C 13 26.33 0.082 . 2 . . . A 76 LEU CD1 . 18671 1 54 . 1 1 4 4 LEU CD2 C 13 23.855 0.02 . 2 . . . A 76 LEU CD2 . 18671 1 55 . 1 1 4 4 LEU N N 15 125.607 0.06 . 1 . . . A 76 LEU N . 18671 1 56 . 1 1 5 5 THR H H 1 8.357 0.002 . 1 . . . A 77 THR H . 18671 1 57 . 1 1 5 5 THR HA H 1 4.822 0.004 . 1 . . . A 77 THR HA . 18671 1 58 . 1 1 5 5 THR HB H 1 4.058 0.001 . 1 . . . A 77 THR HB . 18671 1 59 . 1 1 5 5 THR HG21 H 1 1.097 0.003 . 1 . . . A 77 THR HG21 . 18671 1 60 . 1 1 5 5 THR HG22 H 1 1.097 0.003 . 1 . . . A 77 THR HG22 . 18671 1 61 . 1 1 5 5 THR HG23 H 1 1.097 0.003 . 1 . . . A 77 THR HG23 . 18671 1 62 . 1 1 5 5 THR C C 13 173.047 0 . 1 . . . A 77 THR C . 18671 1 63 . 1 1 5 5 THR CA C 13 62.33 0.092 . 1 . . . A 77 THR CA . 18671 1 64 . 1 1 5 5 THR CB C 13 69.567 0.035 . 1 . . . A 77 THR CB . 18671 1 65 . 1 1 5 5 THR CG2 C 13 21.656 0.036 . 1 . . . A 77 THR CG2 . 18671 1 66 . 1 1 5 5 THR N N 15 116.931 0.026 . 1 . . . A 77 THR N . 18671 1 67 . 1 1 6 6 LEU H H 1 9.758 0.003 . 1 . . . A 78 LEU H . 18671 1 68 . 1 1 6 6 LEU HA H 1 5.028 0.007 . 1 . . . A 78 LEU HA . 18671 1 69 . 1 1 6 6 LEU HB2 H 1 1.191 0.004 . 2 . . . A 78 LEU HB2 . 18671 1 70 . 1 1 6 6 LEU HB3 H 1 2.227 0.009 . 2 . . . A 78 LEU HB3 . 18671 1 71 . 1 1 6 6 LEU HG H 1 1.74 0 . 1 . . . A 78 LEU HG . 18671 1 72 . 1 1 6 6 LEU HD11 H 1 0.939 0.002 . 2 . . . A 78 LEU HD11 . 18671 1 73 . 1 1 6 6 LEU HD12 H 1 0.939 0.002 . 2 . . . A 78 LEU HD12 . 18671 1 74 . 1 1 6 6 LEU HD13 H 1 0.939 0.002 . 2 . . . A 78 LEU HD13 . 18671 1 75 . 1 1 6 6 LEU HD21 H 1 0.755 0.005 . 2 . . . A 78 LEU HD21 . 18671 1 76 . 1 1 6 6 LEU HD22 H 1 0.755 0.005 . 2 . . . A 78 LEU HD22 . 18671 1 77 . 1 1 6 6 LEU HD23 H 1 0.755 0.005 . 2 . . . A 78 LEU HD23 . 18671 1 78 . 1 1 6 6 LEU C C 13 174.178 0 . 1 . . . A 78 LEU C . 18671 1 79 . 1 1 6 6 LEU CA C 13 53.193 0.055 . 1 . . . A 78 LEU CA . 18671 1 80 . 1 1 6 6 LEU CB C 13 41.587 0.07 . 1 . . . A 78 LEU CB . 18671 1 81 . 1 1 6 6 LEU CG C 13 27.156 0.004 . 1 . . . A 78 LEU CG . 18671 1 82 . 1 1 6 6 LEU CD1 C 13 25.833 0.055 . 2 . . . A 78 LEU CD1 . 18671 1 83 . 1 1 6 6 LEU CD2 C 13 24.556 0.015 . 2 . . . A 78 LEU CD2 . 18671 1 84 . 1 1 6 6 LEU N N 15 128.219 0.024 . 1 . . . A 78 LEU N . 18671 1 85 . 1 1 7 7 LYS H H 1 8.881 0.004 . 1 . . . A 79 LYS H . 18671 1 86 . 1 1 7 7 LYS HA H 1 5.02 0.005 . 1 . . . A 79 LYS HA . 18671 1 87 . 1 1 7 7 LYS HB2 H 1 1.412 0.007 . 2 . . . A 79 LYS HB2 . 18671 1 88 . 1 1 7 7 LYS HB3 H 1 1.698 0.007 . 2 . . . A 79 LYS HB3 . 18671 1 89 . 1 1 7 7 LYS HG2 H 1 1.347 0 . 2 . . . A 79 LYS HG2 . 18671 1 90 . 1 1 7 7 LYS HG3 H 1 1.087 0.007 . 2 . . . A 79 LYS HG3 . 18671 1 91 . 1 1 7 7 LYS HD3 H 1 1.574 0.007 . 1 . . . A 79 LYS HD3 . 18671 1 92 . 1 1 7 7 LYS HE3 H 1 2.828 0.009 . 1 . . . A 79 LYS HE3 . 18671 1 93 . 1 1 7 7 LYS C C 13 173.554 0 . 1 . . . A 79 LYS C . 18671 1 94 . 1 1 7 7 LYS CA C 13 55.345 0.078 . 1 . . . A 79 LYS CA . 18671 1 95 . 1 1 7 7 LYS CB C 13 36.447 0.072 . 1 . . . A 79 LYS CB . 18671 1 96 . 1 1 7 7 LYS CG C 13 24.931 0 . 1 . . . A 79 LYS CG . 18671 1 97 . 1 1 7 7 LYS CD C 13 29.72 0.042 . 1 . . . A 79 LYS CD . 18671 1 98 . 1 1 7 7 LYS CE C 13 42.138 0.057 . 1 . . . A 79 LYS CE . 18671 1 99 . 1 1 7 7 LYS N N 15 125.373 0.057 . 1 . . . A 79 LYS N . 18671 1 100 . 1 1 8 8 LYS H H 1 8.287 0.002 . 1 . . . A 80 LYS H . 18671 1 101 . 1 1 8 8 LYS HA H 1 4.805 0.003 . 1 . . . A 80 LYS HA . 18671 1 102 . 1 1 8 8 LYS HB2 H 1 0.341 0.006 . 2 . . . A 80 LYS HB2 . 18671 1 103 . 1 1 8 8 LYS HB3 H 1 0.62 0.005 . 2 . . . A 80 LYS HB3 . 18671 1 104 . 1 1 8 8 LYS HG2 H 1 1.332 0 . 2 . . . A 80 LYS HG2 . 18671 1 105 . 1 1 8 8 LYS HG3 H 1 1.547 0 . 2 . . . A 80 LYS HG3 . 18671 1 106 . 1 1 8 8 LYS HD2 H 1 1.512 0.001 . 2 . . . A 80 LYS HD2 . 18671 1 107 . 1 1 8 8 LYS HD3 H 1 1.703 0.005 . 2 . . . A 80 LYS HD3 . 18671 1 108 . 1 1 8 8 LYS HE3 H 1 3.062 0.005 . 1 . . . A 80 LYS HE3 . 18671 1 109 . 1 1 8 8 LYS C C 13 176.606 0 . 1 . . . A 80 LYS C . 18671 1 110 . 1 1 8 8 LYS CA C 13 55.031 0.052 . 1 . . . A 80 LYS CA . 18671 1 111 . 1 1 8 8 LYS CB C 13 34.04 0.056 . 1 . . . A 80 LYS CB . 18671 1 112 . 1 1 8 8 LYS CG C 13 25.193 0 . 1 . . . A 80 LYS CG . 18671 1 113 . 1 1 8 8 LYS CD C 13 30.855 0.026 . 1 . . . A 80 LYS CD . 18671 1 114 . 1 1 8 8 LYS CE C 13 43.136 0 . 1 . . . A 80 LYS CE . 18671 1 115 . 1 1 8 8 LYS N N 15 129.842 0.04 . 1 . . . A 80 LYS N . 18671 1 116 . 1 1 9 9 ILE H H 1 7.898 0.002 . 1 . . . A 81 ILE H . 18671 1 117 . 1 1 9 9 ILE HA H 1 4.12 0.005 . 1 . . . A 81 ILE HA . 18671 1 118 . 1 1 9 9 ILE HB H 1 1.951 0.006 . 1 . . . A 81 ILE HB . 18671 1 119 . 1 1 9 9 ILE HG12 H 1 1.341 0.007 . 2 . . . A 81 ILE HG12 . 18671 1 120 . 1 1 9 9 ILE HG13 H 1 1.094 0.004 . 2 . . . A 81 ILE HG13 . 18671 1 121 . 1 1 9 9 ILE HG21 H 1 0.831 0.004 . 1 . . . A 81 ILE HG21 . 18671 1 122 . 1 1 9 9 ILE HG22 H 1 0.831 0.004 . 1 . . . A 81 ILE HG22 . 18671 1 123 . 1 1 9 9 ILE HG23 H 1 0.831 0.004 . 1 . . . A 81 ILE HG23 . 18671 1 124 . 1 1 9 9 ILE HD11 H 1 0.786 0.005 . 1 . . . A 81 ILE HD11 . 18671 1 125 . 1 1 9 9 ILE HD12 H 1 0.786 0.005 . 1 . . . A 81 ILE HD12 . 18671 1 126 . 1 1 9 9 ILE HD13 H 1 0.786 0.005 . 1 . . . A 81 ILE HD13 . 18671 1 127 . 1 1 9 9 ILE C C 13 175.626 0 . 1 . . . A 81 ILE C . 18671 1 128 . 1 1 9 9 ILE CA C 13 61.708 0.072 . 1 . . . A 81 ILE CA . 18671 1 129 . 1 1 9 9 ILE CB C 13 39.034 0.039 . 1 . . . A 81 ILE CB . 18671 1 130 . 1 1 9 9 ILE CG1 C 13 27.031 0.131 . 1 . . . A 81 ILE CG1 . 18671 1 131 . 1 1 9 9 ILE CG2 C 13 19.222 0.1 . 1 . . . A 81 ILE CG2 . 18671 1 132 . 1 1 9 9 ILE CD1 C 13 14.436 0.118 . 1 . . . A 81 ILE CD1 . 18671 1 133 . 1 1 9 9 ILE N N 15 121.744 0.02 . 1 . . . A 81 ILE N . 18671 1 134 . 1 1 10 10 GLN H H 1 7.584 0.01 . 1 . . . A 82 GLN H . 18671 1 135 . 1 1 10 10 GLN HA H 1 4.231 0.006 . 1 . . . A 82 GLN HA . 18671 1 136 . 1 1 10 10 GLN HB2 H 1 1.931 0.003 . 2 . . . A 82 GLN HB2 . 18671 1 137 . 1 1 10 10 GLN HB3 H 1 2.002 0 . 2 . . . A 82 GLN HB3 . 18671 1 138 . 1 1 10 10 GLN HG2 H 1 2.453 0.003 . 2 . . . A 82 GLN HG2 . 18671 1 139 . 1 1 10 10 GLN HG3 H 1 2.2 0.006 . 2 . . . A 82 GLN HG3 . 18671 1 140 . 1 1 10 10 GLN HE21 H 1 7.984 0.002 . 1 . . . A 82 GLN HE21 . 18671 1 141 . 1 1 10 10 GLN HE22 H 1 6.581 0.001 . 1 . . . A 82 GLN HE22 . 18671 1 142 . 1 1 10 10 GLN C C 13 175.464 0 . 1 . . . A 82 GLN C . 18671 1 143 . 1 1 10 10 GLN CA C 13 55.454 0.066 . 1 . . . A 82 GLN CA . 18671 1 144 . 1 1 10 10 GLN CB C 13 30.224 0.06 . 1 . . . A 82 GLN CB . 18671 1 145 . 1 1 10 10 GLN CG C 13 34.136 0.043 . 1 . . . A 82 GLN CG . 18671 1 146 . 1 1 10 10 GLN N N 15 120.014 0.059 . 1 . . . A 82 GLN N . 18671 1 147 . 1 1 10 10 GLN NE2 N 15 112.508 0.038 . 1 . . . A 82 GLN NE2 . 18671 1 148 . 1 1 11 11 ALA H H 1 8.875 0.002 . 1 . . . A 83 ALA H . 18671 1 149 . 1 1 11 11 ALA HA H 1 4.293 0.002 . 1 . . . A 83 ALA HA . 18671 1 150 . 1 1 11 11 ALA HB1 H 1 1.344 0.001 . 1 . . . A 83 ALA HB1 . 18671 1 151 . 1 1 11 11 ALA HB2 H 1 1.344 0.001 . 1 . . . A 83 ALA HB2 . 18671 1 152 . 1 1 11 11 ALA HB3 H 1 1.344 0.001 . 1 . . . A 83 ALA HB3 . 18671 1 153 . 1 1 11 11 ALA CA C 13 51.091 0.064 . 1 . . . A 83 ALA CA . 18671 1 154 . 1 1 11 11 ALA CB C 13 17.623 0.043 . 1 . . . A 83 ALA CB . 18671 1 155 . 1 1 11 11 ALA N N 15 126.759 0.052 . 1 . . . A 83 ALA N . 18671 1 156 . 1 1 12 12 PRO HA H 1 4.585 0.012 . 1 . . . A 84 PRO HA . 18671 1 157 . 1 1 12 12 PRO HB2 H 1 2.205 0.006 . 2 . . . A 84 PRO HB2 . 18671 1 158 . 1 1 12 12 PRO HB3 H 1 2.379 0.014 . 2 . . . A 84 PRO HB3 . 18671 1 159 . 1 1 12 12 PRO HG2 H 1 1.952 0.003 . 2 . . . A 84 PRO HG2 . 18671 1 160 . 1 1 12 12 PRO HG3 H 1 2.183 0.006 . 2 . . . A 84 PRO HG3 . 18671 1 161 . 1 1 12 12 PRO HD2 H 1 3.492 0.002 . 2 . . . A 84 PRO HD2 . 18671 1 162 . 1 1 12 12 PRO HD3 H 1 3.585 0.003 . 2 . . . A 84 PRO HD3 . 18671 1 163 . 1 1 12 12 PRO C C 13 176.167 0 . 1 . . . A 84 PRO C . 18671 1 164 . 1 1 12 12 PRO CA C 13 62.261 0.071 . 1 . . . A 84 PRO CA . 18671 1 165 . 1 1 12 12 PRO CB C 13 33.443 0.061 . 1 . . . A 84 PRO CB . 18671 1 166 . 1 1 12 12 PRO CG C 13 25.456 0.069 . 1 . . . A 84 PRO CG . 18671 1 167 . 1 1 12 12 PRO CD C 13 50.714 0.059 . 1 . . . A 84 PRO CD . 18671 1 168 . 1 1 13 13 LYS H H 1 8.56 0.004 . 1 . . . A 85 LYS H . 18671 1 169 . 1 1 13 13 LYS HA H 1 3.948 0.006 . 1 . . . A 85 LYS HA . 18671 1 170 . 1 1 13 13 LYS HB2 H 1 1.67 0 . 2 . . . A 85 LYS HB2 . 18671 1 171 . 1 1 13 13 LYS HB3 H 1 1.827 0 . 2 . . . A 85 LYS HB3 . 18671 1 172 . 1 1 13 13 LYS HG2 H 1 1.17 0 . 2 . . . A 85 LYS HG2 . 18671 1 173 . 1 1 13 13 LYS HG3 H 1 1.156 0.003 . 2 . . . A 85 LYS HG3 . 18671 1 174 . 1 1 13 13 LYS HD3 H 1 1.62 0 . 1 . . . A 85 LYS HD3 . 18671 1 175 . 1 1 13 13 LYS HE3 H 1 2.954 0.003 . 1 . . . A 85 LYS HE3 . 18671 1 176 . 1 1 13 13 LYS C C 13 177.396 0 . 1 . . . A 85 LYS C . 18671 1 177 . 1 1 13 13 LYS CA C 13 57.069 0.024 . 1 . . . A 85 LYS CA . 18671 1 178 . 1 1 13 13 LYS CB C 13 34.496 0.022 . 1 . . . A 85 LYS CB . 18671 1 179 . 1 1 13 13 LYS CG C 13 25.743 0.048 . 1 . . . A 85 LYS CG . 18671 1 180 . 1 1 13 13 LYS CD C 13 29.692 0 . 1 . . . A 85 LYS CD . 18671 1 181 . 1 1 13 13 LYS CE C 13 42.255 0 . 1 . . . A 85 LYS CE . 18671 1 182 . 1 1 13 13 LYS N N 15 126.138 0.064 . 1 . . . A 85 LYS N . 18671 1 183 . 1 1 14 14 PHE H H 1 7.438 0.001 . 1 . . . A 86 PHE H . 18671 1 184 . 1 1 14 14 PHE HA H 1 4.895 0.003 . 1 . . . A 86 PHE HA . 18671 1 185 . 1 1 14 14 PHE HB2 H 1 3.195 0.007 . 2 . . . A 86 PHE HB2 . 18671 1 186 . 1 1 14 14 PHE HB3 H 1 3.349 0.008 . 2 . . . A 86 PHE HB3 . 18671 1 187 . 1 1 14 14 PHE HD1 H 1 7.237 0.004 . 3 . . . A 86 PHE HD1 . 18671 1 188 . 1 1 14 14 PHE HD2 H 1 7.237 0.004 . 3 . . . A 86 PHE HD2 . 18671 1 189 . 1 1 14 14 PHE HE1 H 1 6.919 0.021 . 3 . . . A 86 PHE HE1 . 18671 1 190 . 1 1 14 14 PHE HE2 H 1 6.919 0.021 . 3 . . . A 86 PHE HE2 . 18671 1 191 . 1 1 14 14 PHE HZ H 1 7.13 0 . 1 . . . A 86 PHE HZ . 18671 1 192 . 1 1 14 14 PHE C C 13 173.939 0 . 1 . . . A 86 PHE C . 18671 1 193 . 1 1 14 14 PHE CA C 13 57.643 0.024 . 1 . . . A 86 PHE CA . 18671 1 194 . 1 1 14 14 PHE CB C 13 41.148 0.069 . 1 . . . A 86 PHE CB . 18671 1 195 . 1 1 14 14 PHE N N 15 111.978 0.018 . 1 . . . A 86 PHE N . 18671 1 196 . 1 1 15 15 SER H H 1 8.677 0.002 . 1 . . . A 87 SER H . 18671 1 197 . 1 1 15 15 SER HA H 1 5.405 0.002 . 1 . . . A 87 SER HA . 18671 1 198 . 1 1 15 15 SER HB2 H 1 3.797 0.004 . 2 . . . A 87 SER HB2 . 18671 1 199 . 1 1 15 15 SER HB3 H 1 3.632 0.003 . 2 . . . A 87 SER HB3 . 18671 1 200 . 1 1 15 15 SER C C 13 173.898 0 . 1 . . . A 87 SER C . 18671 1 201 . 1 1 15 15 SER CA C 13 58.061 0.04 . 1 . . . A 87 SER CA . 18671 1 202 . 1 1 15 15 SER CB C 13 64.256 0.041 . 1 . . . A 87 SER CB . 18671 1 203 . 1 1 15 15 SER N N 15 115.564 0.024 . 1 . . . A 87 SER N . 18671 1 204 . 1 1 16 16 ILE H H 1 9.095 0.001 . 1 . . . A 88 ILE H . 18671 1 205 . 1 1 16 16 ILE HA H 1 4.798 0.007 . 1 . . . A 88 ILE HA . 18671 1 206 . 1 1 16 16 ILE HB H 1 1.959 0.013 . 1 . . . A 88 ILE HB . 18671 1 207 . 1 1 16 16 ILE HG12 H 1 1.546 0.004 . 2 . . . A 88 ILE HG12 . 18671 1 208 . 1 1 16 16 ILE HG13 H 1 1.258 0.004 . 2 . . . A 88 ILE HG13 . 18671 1 209 . 1 1 16 16 ILE HG21 H 1 0.946 0.004 . 1 . . . A 88 ILE HG21 . 18671 1 210 . 1 1 16 16 ILE HG22 H 1 0.946 0.004 . 1 . . . A 88 ILE HG22 . 18671 1 211 . 1 1 16 16 ILE HG23 H 1 0.946 0.004 . 1 . . . A 88 ILE HG23 . 18671 1 212 . 1 1 16 16 ILE HD11 H 1 0.589 0.004 . 1 . . . A 88 ILE HD11 . 18671 1 213 . 1 1 16 16 ILE HD12 H 1 0.589 0.004 . 1 . . . A 88 ILE HD12 . 18671 1 214 . 1 1 16 16 ILE HD13 H 1 0.589 0.004 . 1 . . . A 88 ILE HD13 . 18671 1 215 . 1 1 16 16 ILE C C 13 174.027 0 . 1 . . . A 88 ILE C . 18671 1 216 . 1 1 16 16 ILE CA C 13 60.042 0.048 . 1 . . . A 88 ILE CA . 18671 1 217 . 1 1 16 16 ILE CB C 13 42.24 0.103 . 1 . . . A 88 ILE CB . 18671 1 218 . 1 1 16 16 ILE CG1 C 13 26.811 0.048 . 1 . . . A 88 ILE CG1 . 18671 1 219 . 1 1 16 16 ILE CG2 C 13 17.612 0.066 . 1 . . . A 88 ILE CG2 . 18671 1 220 . 1 1 16 16 ILE CD1 C 13 13.47 0.042 . 1 . . . A 88 ILE CD1 . 18671 1 221 . 1 1 16 16 ILE N N 15 123.84 0.021 . 1 . . . A 88 ILE N . 18671 1 222 . 1 1 17 17 GLU H H 1 8.746 0.003 . 1 . . . A 89 GLU H . 18671 1 223 . 1 1 17 17 GLU HA H 1 5.441 0.005 . 1 . . . A 89 GLU HA . 18671 1 224 . 1 1 17 17 GLU HB2 H 1 1.9 0 . 2 . . . A 89 GLU HB2 . 18671 1 225 . 1 1 17 17 GLU HB3 H 1 1.864 0 . 2 . . . A 89 GLU HB3 . 18671 1 226 . 1 1 17 17 GLU HG2 H 1 2.445 0.006 . 2 . . . A 89 GLU HG2 . 18671 1 227 . 1 1 17 17 GLU HG3 H 1 2.259 0.004 . 2 . . . A 89 GLU HG3 . 18671 1 228 . 1 1 17 17 GLU C C 13 176.215 0 . 1 . . . A 89 GLU C . 18671 1 229 . 1 1 17 17 GLU CA C 13 54.368 0.039 . 1 . . . A 89 GLU CA . 18671 1 230 . 1 1 17 17 GLU CB C 13 32.877 0.046 . 1 . . . A 89 GLU CB . 18671 1 231 . 1 1 17 17 GLU CG C 13 36.457 0.073 . 1 . . . A 89 GLU CG . 18671 1 232 . 1 1 17 17 GLU N N 15 122.983 0.035 . 1 . . . A 89 GLU N . 18671 1 233 . 1 1 18 18 HIS H H 1 8.563 0.005 . 1 . . . A 90 HIS H . 18671 1 234 . 1 1 18 18 HIS HA H 1 4.382 0.007 . 1 . . . A 90 HIS HA . 18671 1 235 . 1 1 18 18 HIS HB2 H 1 2.225 0 . 2 . . . A 90 HIS HB2 . 18671 1 236 . 1 1 18 18 HIS HB3 H 1 2.604 0.002 . 2 . . . A 90 HIS HB3 . 18671 1 237 . 1 1 18 18 HIS HE1 H 1 6.193 0 . 1 . . . A 90 HIS HE1 . 18671 1 238 . 1 1 18 18 HIS C C 13 170.831 0 . 1 . . . A 90 HIS C . 18671 1 239 . 1 1 18 18 HIS CA C 13 55.556 0.031 . 1 . . . A 90 HIS CA . 18671 1 240 . 1 1 18 18 HIS CB C 13 32.407 0.105 . 1 . . . A 90 HIS CB . 18671 1 241 . 1 1 18 18 HIS N N 15 119.673 0.064 . 1 . . . A 90 HIS N . 18671 1 242 . 1 1 19 19 ASP H H 1 7.105 0.002 . 1 . . . A 91 ASP H . 18671 1 243 . 1 1 19 19 ASP HA H 1 5.178 0.005 . 1 . . . A 91 ASP HA . 18671 1 244 . 1 1 19 19 ASP HB2 H 1 2.283 0.008 . 2 . . . A 91 ASP HB2 . 18671 1 245 . 1 1 19 19 ASP HB3 H 1 2.113 0.003 . 2 . . . A 91 ASP HB3 . 18671 1 246 . 1 1 19 19 ASP C C 13 174.255 0 . 1 . . . A 91 ASP C . 18671 1 247 . 1 1 19 19 ASP CA C 13 53.545 0.069 . 1 . . . A 91 ASP CA . 18671 1 248 . 1 1 19 19 ASP CB C 13 42.216 0.029 . 1 . . . A 91 ASP CB . 18671 1 249 . 1 1 19 19 ASP N N 15 123.526 0.038 . 1 . . . A 91 ASP N . 18671 1 250 . 1 1 20 20 PHE H H 1 8.549 0.002 . 1 . . . A 92 PHE H . 18671 1 251 . 1 1 20 20 PHE HA H 1 4.632 0.004 . 1 . . . A 92 PHE HA . 18671 1 252 . 1 1 20 20 PHE HB2 H 1 2.326 0 . 2 . . . A 92 PHE HB2 . 18671 1 253 . 1 1 20 20 PHE HB3 H 1 3.511 0.003 . 2 . . . A 92 PHE HB3 . 18671 1 254 . 1 1 20 20 PHE HD1 H 1 7.331 0.008 . 3 . . . A 92 PHE HD1 . 18671 1 255 . 1 1 20 20 PHE HD2 H 1 7.331 0.008 . 3 . . . A 92 PHE HD2 . 18671 1 256 . 1 1 20 20 PHE HE1 H 1 6.951 0.007 . 3 . . . A 92 PHE HE1 . 18671 1 257 . 1 1 20 20 PHE HE2 H 1 6.951 0.007 . 3 . . . A 92 PHE HE2 . 18671 1 258 . 1 1 20 20 PHE HZ H 1 6.673 0.007 . 1 . . . A 92 PHE HZ . 18671 1 259 . 1 1 20 20 PHE C C 13 175 0 . 1 . . . A 92 PHE C . 18671 1 260 . 1 1 20 20 PHE CA C 13 57.004 0.063 . 1 . . . A 92 PHE CA . 18671 1 261 . 1 1 20 20 PHE CB C 13 43.257 0.017 . 1 . . . A 92 PHE CB . 18671 1 262 . 1 1 20 20 PHE N N 15 120.489 0.026 . 1 . . . A 92 PHE N . 18671 1 263 . 1 1 21 21 SER H H 1 9.151 0.002 . 1 . . . A 93 SER H . 18671 1 264 . 1 1 21 21 SER HA H 1 4.905 0.003 . 1 . . . A 93 SER HA . 18671 1 265 . 1 1 21 21 SER HB2 H 1 3.861 0.011 . 2 . . . A 93 SER HB2 . 18671 1 266 . 1 1 21 21 SER HB3 H 1 3.976 0.003 . 2 . . . A 93 SER HB3 . 18671 1 267 . 1 1 21 21 SER CA C 13 56.003 0 . 1 . . . A 93 SER CA . 18671 1 268 . 1 1 21 21 SER CB C 13 63.75 0.072 . 1 . . . A 93 SER CB . 18671 1 269 . 1 1 21 21 SER N N 15 119.485 0.044 . 1 . . . A 93 SER N . 18671 1 270 . 1 1 22 22 PRO HA H 1 4.218 0.004 . 1 . . . A 94 PRO HA . 18671 1 271 . 1 1 22 22 PRO HB2 H 1 2.294 0 . 2 . . . A 94 PRO HB2 . 18671 1 272 . 1 1 22 22 PRO HB3 H 1 2.015 0.001 . 2 . . . A 94 PRO HB3 . 18671 1 273 . 1 1 22 22 PRO HG2 H 1 2.14 0 . 2 . . . A 94 PRO HG2 . 18671 1 274 . 1 1 22 22 PRO HG3 H 1 2.039 0 . 2 . . . A 94 PRO HG3 . 18671 1 275 . 1 1 22 22 PRO HD2 H 1 3.899 0 . 2 . . . A 94 PRO HD2 . 18671 1 276 . 1 1 22 22 PRO HD3 H 1 3.987 0.003 . 2 . . . A 94 PRO HD3 . 18671 1 277 . 1 1 22 22 PRO C C 13 175.58 0 . 1 . . . A 94 PRO C . 18671 1 278 . 1 1 22 22 PRO CA C 13 65.045 0.078 . 1 . . . A 94 PRO CA . 18671 1 279 . 1 1 22 22 PRO CB C 13 31.885 0.095 . 1 . . . A 94 PRO CB . 18671 1 280 . 1 1 22 22 PRO CG C 13 27.859 0 . 1 . . . A 94 PRO CG . 18671 1 281 . 1 1 22 22 PRO CD C 13 50.788 0.075 . 1 . . . A 94 PRO CD . 18671 1 282 . 1 1 23 23 SER H H 1 7.554 0.002 . 1 . . . A 95 SER H . 18671 1 283 . 1 1 23 23 SER HA H 1 4.554 0.005 . 1 . . . A 95 SER HA . 18671 1 284 . 1 1 23 23 SER HB2 H 1 4.048 0.001 . 2 . . . A 95 SER HB2 . 18671 1 285 . 1 1 23 23 SER HB3 H 1 3.784 0.003 . 2 . . . A 95 SER HB3 . 18671 1 286 . 1 1 23 23 SER C C 13 174.932 0 . 1 . . . A 95 SER C . 18671 1 287 . 1 1 23 23 SER CA C 13 57.942 0.056 . 1 . . . A 95 SER CA . 18671 1 288 . 1 1 23 23 SER CB C 13 63.657 0.074 . 1 . . . A 95 SER CB . 18671 1 289 . 1 1 23 23 SER N N 15 106.869 0.033 . 1 . . . A 95 SER N . 18671 1 290 . 1 1 24 24 ASP H H 1 7.745 0.002 . 1 . . . A 96 ASP H . 18671 1 291 . 1 1 24 24 ASP HA H 1 4.95 0.006 . 1 . . . A 96 ASP HA . 18671 1 292 . 1 1 24 24 ASP HB2 H 1 2.636 0.003 . 2 . . . A 96 ASP HB2 . 18671 1 293 . 1 1 24 24 ASP HB3 H 1 3.162 0.011 . 2 . . . A 96 ASP HB3 . 18671 1 294 . 1 1 24 24 ASP C C 13 175.682 0 . 1 . . . A 96 ASP C . 18671 1 295 . 1 1 24 24 ASP CA C 13 55.407 0.043 . 1 . . . A 96 ASP CA . 18671 1 296 . 1 1 24 24 ASP CB C 13 41.738 0.044 . 1 . . . A 96 ASP CB . 18671 1 297 . 1 1 24 24 ASP N N 15 122.649 0.038 . 1 . . . A 96 ASP N . 18671 1 298 . 1 1 25 25 THR H H 1 8.387 0.003 . 1 . . . A 97 THR H . 18671 1 299 . 1 1 25 25 THR HA H 1 5.361 0.008 . 1 . . . A 97 THR HA . 18671 1 300 . 1 1 25 25 THR HB H 1 4.36 0.003 . 1 . . . A 97 THR HB . 18671 1 301 . 1 1 25 25 THR HG21 H 1 0.735 0.008 . 1 . . . A 97 THR HG21 . 18671 1 302 . 1 1 25 25 THR HG22 H 1 0.735 0.008 . 1 . . . A 97 THR HG22 . 18671 1 303 . 1 1 25 25 THR HG23 H 1 0.735 0.008 . 1 . . . A 97 THR HG23 . 18671 1 304 . 1 1 25 25 THR C C 13 176.916 0 . 1 . . . A 97 THR C . 18671 1 305 . 1 1 25 25 THR CA C 13 59.409 0.079 . 1 . . . A 97 THR CA . 18671 1 306 . 1 1 25 25 THR CB C 13 73.172 0.078 . 1 . . . A 97 THR CB . 18671 1 307 . 1 1 25 25 THR CG2 C 13 21.737 0.047 . 1 . . . A 97 THR CG2 . 18671 1 308 . 1 1 25 25 THR N N 15 108.285 0.038 . 1 . . . A 97 THR N . 18671 1 309 . 1 1 26 26 ILE H H 1 7.967 0.003 . 1 . . . A 98 ILE H . 18671 1 310 . 1 1 26 26 ILE HA H 1 3.477 0.004 . 1 . . . A 98 ILE HA . 18671 1 311 . 1 1 26 26 ILE HB H 1 2.427 0.007 . 1 . . . A 98 ILE HB . 18671 1 312 . 1 1 26 26 ILE HG12 H 1 1.343 0.003 . 2 . . . A 98 ILE HG12 . 18671 1 313 . 1 1 26 26 ILE HG13 H 1 1.7 0.007 . 2 . . . A 98 ILE HG13 . 18671 1 314 . 1 1 26 26 ILE HG21 H 1 0.676 0.005 . 1 . . . A 98 ILE HG21 . 18671 1 315 . 1 1 26 26 ILE HG22 H 1 0.676 0.005 . 1 . . . A 98 ILE HG22 . 18671 1 316 . 1 1 26 26 ILE HG23 H 1 0.676 0.005 . 1 . . . A 98 ILE HG23 . 18671 1 317 . 1 1 26 26 ILE HD11 H 1 0.491 0.005 . 1 . . . A 98 ILE HD11 . 18671 1 318 . 1 1 26 26 ILE HD12 H 1 0.491 0.005 . 1 . . . A 98 ILE HD12 . 18671 1 319 . 1 1 26 26 ILE HD13 H 1 0.491 0.005 . 1 . . . A 98 ILE HD13 . 18671 1 320 . 1 1 26 26 ILE C C 13 178.532 0 . 1 . . . A 98 ILE C . 18671 1 321 . 1 1 26 26 ILE CA C 13 61.502 0.049 . 1 . . . A 98 ILE CA . 18671 1 322 . 1 1 26 26 ILE CB C 13 34.733 0.078 . 1 . . . A 98 ILE CB . 18671 1 323 . 1 1 26 26 ILE CG1 C 13 27.963 0.136 . 1 . . . A 98 ILE CG1 . 18671 1 324 . 1 1 26 26 ILE CG2 C 13 17.883 0.055 . 1 . . . A 98 ILE CG2 . 18671 1 325 . 1 1 26 26 ILE CD1 C 13 9.694 0.049 . 1 . . . A 98 ILE CD1 . 18671 1 326 . 1 1 26 26 ILE N N 15 120.905 0.04 . 1 . . . A 98 ILE N . 18671 1 327 . 1 1 27 27 LEU H H 1 8.146 0.006 . 1 . . . A 99 LEU H . 18671 1 328 . 1 1 27 27 LEU HA H 1 3.808 0.005 . 1 . . . A 99 LEU HA . 18671 1 329 . 1 1 27 27 LEU HB2 H 1 1.435 0 . 2 . . . A 99 LEU HB2 . 18671 1 330 . 1 1 27 27 LEU HB3 H 1 1.681 0.008 . 2 . . . A 99 LEU HB3 . 18671 1 331 . 1 1 27 27 LEU HG H 1 1.45 0.005 . 1 . . . A 99 LEU HG . 18671 1 332 . 1 1 27 27 LEU HD11 H 1 0.825 0 . 2 . . . A 99 LEU HD11 . 18671 1 333 . 1 1 27 27 LEU HD12 H 1 0.825 0 . 2 . . . A 99 LEU HD12 . 18671 1 334 . 1 1 27 27 LEU HD13 H 1 0.825 0 . 2 . . . A 99 LEU HD13 . 18671 1 335 . 1 1 27 27 LEU HD21 H 1 0.887 0.009 . 2 . . . A 99 LEU HD21 . 18671 1 336 . 1 1 27 27 LEU HD22 H 1 0.887 0.009 . 2 . . . A 99 LEU HD22 . 18671 1 337 . 1 1 27 27 LEU HD23 H 1 0.887 0.009 . 2 . . . A 99 LEU HD23 . 18671 1 338 . 1 1 27 27 LEU C C 13 178.52 0 . 1 . . . A 99 LEU C . 18671 1 339 . 1 1 27 27 LEU CA C 13 58.756 0.037 . 1 . . . A 99 LEU CA . 18671 1 340 . 1 1 27 27 LEU CB C 13 42.196 0.076 . 1 . . . A 99 LEU CB . 18671 1 341 . 1 1 27 27 LEU CG C 13 26.797 0.074 . 1 . . . A 99 LEU CG . 18671 1 342 . 1 1 27 27 LEU CD1 C 13 25.345 0 . 2 . . . A 99 LEU CD1 . 18671 1 343 . 1 1 27 27 LEU CD2 C 13 23.848 0.05 . 2 . . . A 99 LEU CD2 . 18671 1 344 . 1 1 27 27 LEU N N 15 121.596 0.033 . 1 . . . A 99 LEU N . 18671 1 345 . 1 1 28 28 GLN H H 1 7.547 0.003 . 1 . . . A 100 GLN H . 18671 1 346 . 1 1 28 28 GLN HA H 1 4.217 0.006 . 1 . . . A 100 GLN HA . 18671 1 347 . 1 1 28 28 GLN HB2 H 1 2.621 0.005 . 2 . . . A 100 GLN HB2 . 18671 1 348 . 1 1 28 28 GLN HB3 H 1 2.167 0.004 . 2 . . . A 100 GLN HB3 . 18671 1 349 . 1 1 28 28 GLN HG2 H 1 2.654 0.003 . 2 . . . A 100 GLN HG2 . 18671 1 350 . 1 1 28 28 GLN HG3 H 1 2.474 0.002 . 2 . . . A 100 GLN HG3 . 18671 1 351 . 1 1 28 28 GLN HE21 H 1 7.628 0.002 . 1 . . . A 100 GLN HE21 . 18671 1 352 . 1 1 28 28 GLN HE22 H 1 7.026 0.005 . 1 . . . A 100 GLN HE22 . 18671 1 353 . 1 1 28 28 GLN C C 13 179.915 0 . 1 . . . A 100 GLN C . 18671 1 354 . 1 1 28 28 GLN CA C 13 59.866 0.033 . 1 . . . A 100 GLN CA . 18671 1 355 . 1 1 28 28 GLN CB C 13 28.827 0.054 . 1 . . . A 100 GLN CB . 18671 1 356 . 1 1 28 28 GLN CG C 13 36.936 0.043 . 1 . . . A 100 GLN CG . 18671 1 357 . 1 1 28 28 GLN N N 15 116.74 0.027 . 1 . . . A 100 GLN N . 18671 1 358 . 1 1 28 28 GLN NE2 N 15 113.802 0.071 . 1 . . . A 100 GLN NE2 . 18671 1 359 . 1 1 29 29 ILE H H 1 7.642 0.008 . 1 . . . A 101 ILE H . 18671 1 360 . 1 1 29 29 ILE HA H 1 3.575 0.001 . 1 . . . A 101 ILE HA . 18671 1 361 . 1 1 29 29 ILE HB H 1 1.843 0.01 . 1 . . . A 101 ILE HB . 18671 1 362 . 1 1 29 29 ILE HG12 H 1 1.106 0.008 . 2 . . . A 101 ILE HG12 . 18671 1 363 . 1 1 29 29 ILE HG13 H 1 -0.373 0.01 . 2 . . . A 101 ILE HG13 . 18671 1 364 . 1 1 29 29 ILE HG21 H 1 0.597 0.007 . 1 . . . A 101 ILE HG21 . 18671 1 365 . 1 1 29 29 ILE HG22 H 1 0.597 0.007 . 1 . . . A 101 ILE HG22 . 18671 1 366 . 1 1 29 29 ILE HG23 H 1 0.597 0.007 . 1 . . . A 101 ILE HG23 . 18671 1 367 . 1 1 29 29 ILE HD11 H 1 0.208 0.004 . 1 . . . A 101 ILE HD11 . 18671 1 368 . 1 1 29 29 ILE HD12 H 1 0.208 0.004 . 1 . . . A 101 ILE HD12 . 18671 1 369 . 1 1 29 29 ILE HD13 H 1 0.208 0.004 . 1 . . . A 101 ILE HD13 . 18671 1 370 . 1 1 29 29 ILE C C 13 178.236 0 . 1 . . . A 101 ILE C . 18671 1 371 . 1 1 29 29 ILE CA C 13 65.552 0.081 . 1 . . . A 101 ILE CA . 18671 1 372 . 1 1 29 29 ILE CB C 13 36.201 0.071 . 1 . . . A 101 ILE CB . 18671 1 373 . 1 1 29 29 ILE CG1 C 13 26.006 0.058 . 1 . . . A 101 ILE CG1 . 18671 1 374 . 1 1 29 29 ILE CG2 C 13 18.743 0.051 . 1 . . . A 101 ILE CG2 . 18671 1 375 . 1 1 29 29 ILE CD1 C 13 13.401 0.044 . 1 . . . A 101 ILE CD1 . 18671 1 376 . 1 1 29 29 ILE N N 15 121.411 0.076 . 1 . . . A 101 ILE N . 18671 1 377 . 1 1 30 30 LYS H H 1 7.629 0.004 . 1 . . . A 102 LYS H . 18671 1 378 . 1 1 30 30 LYS HA H 1 3.778 0.01 . 1 . . . A 102 LYS HA . 18671 1 379 . 1 1 30 30 LYS HB2 H 1 1.661 0 . 2 . . . A 102 LYS HB2 . 18671 1 380 . 1 1 30 30 LYS HB3 H 1 2.248 0.002 . 2 . . . A 102 LYS HB3 . 18671 1 381 . 1 1 30 30 LYS C C 13 178.158 0 . 1 . . . A 102 LYS C . 18671 1 382 . 1 1 30 30 LYS CA C 13 61.662 0.066 . 1 . . . A 102 LYS CA . 18671 1 383 . 1 1 30 30 LYS CB C 13 32.818 0.001 . 1 . . . A 102 LYS CB . 18671 1 384 . 1 1 30 30 LYS N N 15 118.936 0.061 . 1 . . . A 102 LYS N . 18671 1 385 . 1 1 31 31 GLN H H 1 8.573 0.002 . 1 . . . A 103 GLN H . 18671 1 386 . 1 1 31 31 GLN HA H 1 3.816 0 . 1 . . . A 103 GLN HA . 18671 1 387 . 1 1 31 31 GLN HB2 H 1 2.033 0.004 . 2 . . . A 103 GLN HB2 . 18671 1 388 . 1 1 31 31 GLN HB3 H 1 2.258 0.015 . 2 . . . A 103 GLN HB3 . 18671 1 389 . 1 1 31 31 GLN HG2 H 1 2.33 0.005 . 2 . . . A 103 GLN HG2 . 18671 1 390 . 1 1 31 31 GLN HG3 H 1 2.457 0.006 . 2 . . . A 103 GLN HG3 . 18671 1 391 . 1 1 31 31 GLN HE21 H 1 7.194 0.002 . 1 . . . A 103 GLN HE21 . 18671 1 392 . 1 1 31 31 GLN HE22 H 1 6.746 0.004 . 1 . . . A 103 GLN HE22 . 18671 1 393 . 1 1 31 31 GLN C C 13 178.791 0 . 1 . . . A 103 GLN C . 18671 1 394 . 1 1 31 31 GLN CA C 13 58.948 0.023 . 1 . . . A 103 GLN CA . 18671 1 395 . 1 1 31 31 GLN CB C 13 27.906 0.02 . 1 . . . A 103 GLN CB . 18671 1 396 . 1 1 31 31 GLN CG C 13 33.928 0.004 . 1 . . . A 103 GLN CG . 18671 1 397 . 1 1 31 31 GLN N N 15 116.389 0.039 . 1 . . . A 103 GLN N . 18671 1 398 . 1 1 31 31 GLN NE2 N 15 109.896 0.039 . 1 . . . A 103 GLN NE2 . 18671 1 399 . 1 1 32 32 HIS H H 1 8.082 0.002 . 1 . . . A 104 HIS H . 18671 1 400 . 1 1 32 32 HIS HA H 1 4.276 0.002 . 1 . . . A 104 HIS HA . 18671 1 401 . 1 1 32 32 HIS HB2 H 1 3.492 0.004 . 2 . . . A 104 HIS HB2 . 18671 1 402 . 1 1 32 32 HIS HB3 H 1 3.304 0.005 . 2 . . . A 104 HIS HB3 . 18671 1 403 . 1 1 32 32 HIS HE1 H 1 6.189 0.005 . 1 . . . A 104 HIS HE1 . 18671 1 404 . 1 1 32 32 HIS C C 13 177.137 0 . 1 . . . A 104 HIS C . 18671 1 405 . 1 1 32 32 HIS CA C 13 60.288 0.082 . 1 . . . A 104 HIS CA . 18671 1 406 . 1 1 32 32 HIS CB C 13 30.104 0.047 . 1 . . . A 104 HIS CB . 18671 1 407 . 1 1 32 32 HIS N N 15 121.239 0.014 . 1 . . . A 104 HIS N . 18671 1 408 . 1 1 33 33 LEU H H 1 7.6 0.005 . 1 . . . A 105 LEU H . 18671 1 409 . 1 1 33 33 LEU HA H 1 3.549 0.011 . 1 . . . A 105 LEU HA . 18671 1 410 . 1 1 33 33 LEU HB2 H 1 0.977 0.01 . 2 . . . A 105 LEU HB2 . 18671 1 411 . 1 1 33 33 LEU HB3 H 1 2.241 0.008 . 2 . . . A 105 LEU HB3 . 18671 1 412 . 1 1 33 33 LEU HG H 1 1.888 0.002 . 1 . . . A 105 LEU HG . 18671 1 413 . 1 1 33 33 LEU HD11 H 1 0.946 0.002 . 2 . . . A 105 LEU HD11 . 18671 1 414 . 1 1 33 33 LEU HD12 H 1 0.946 0.002 . 2 . . . A 105 LEU HD12 . 18671 1 415 . 1 1 33 33 LEU HD13 H 1 0.946 0.002 . 2 . . . A 105 LEU HD13 . 18671 1 416 . 1 1 33 33 LEU HD21 H 1 0.939 0 . 2 . . . A 105 LEU HD21 . 18671 1 417 . 1 1 33 33 LEU HD22 H 1 0.939 0 . 2 . . . A 105 LEU HD22 . 18671 1 418 . 1 1 33 33 LEU HD23 H 1 0.939 0 . 2 . . . A 105 LEU HD23 . 18671 1 419 . 1 1 33 33 LEU C C 13 178.374 0 . 1 . . . A 105 LEU C . 18671 1 420 . 1 1 33 33 LEU CA C 13 58.148 0.046 . 1 . . . A 105 LEU CA . 18671 1 421 . 1 1 33 33 LEU CB C 13 41.753 0.033 . 1 . . . A 105 LEU CB . 18671 1 422 . 1 1 33 33 LEU CG C 13 27.213 0 . 1 . . . A 105 LEU CG . 18671 1 423 . 1 1 33 33 LEU CD1 C 13 28.082 0.066 . 2 . . . A 105 LEU CD1 . 18671 1 424 . 1 1 33 33 LEU CD2 C 13 25.795 0.026 . 2 . . . A 105 LEU CD2 . 18671 1 425 . 1 1 33 33 LEU N N 15 117.244 0.047 . 1 . . . A 105 LEU N . 18671 1 426 . 1 1 34 34 ILE H H 1 7.535 0.004 . 1 . . . A 106 ILE H . 18671 1 427 . 1 1 34 34 ILE HA H 1 3.893 0.006 . 1 . . . A 106 ILE HA . 18671 1 428 . 1 1 34 34 ILE HB H 1 1.956 0.006 . 1 . . . A 106 ILE HB . 18671 1 429 . 1 1 34 34 ILE HG12 H 1 0.87 0.001 . 2 . . . A 106 ILE HG12 . 18671 1 430 . 1 1 34 34 ILE HG13 H 1 1.34 0.001 . 2 . . . A 106 ILE HG13 . 18671 1 431 . 1 1 34 34 ILE HG21 H 1 0.796 0.001 . 1 . . . A 106 ILE HG21 . 18671 1 432 . 1 1 34 34 ILE HG22 H 1 0.796 0.001 . 1 . . . A 106 ILE HG22 . 18671 1 433 . 1 1 34 34 ILE HG23 H 1 0.796 0.001 . 1 . . . A 106 ILE HG23 . 18671 1 434 . 1 1 34 34 ILE HD11 H 1 0.403 0.007 . 1 . . . A 106 ILE HD11 . 18671 1 435 . 1 1 34 34 ILE HD12 H 1 0.403 0.007 . 1 . . . A 106 ILE HD12 . 18671 1 436 . 1 1 34 34 ILE HD13 H 1 0.403 0.007 . 1 . . . A 106 ILE HD13 . 18671 1 437 . 1 1 34 34 ILE C C 13 180.618 0 . 1 . . . A 106 ILE C . 18671 1 438 . 1 1 34 34 ILE CA C 13 63.686 0.02 . 1 . . . A 106 ILE CA . 18671 1 439 . 1 1 34 34 ILE CB C 13 36.964 0.12 . 1 . . . A 106 ILE CB . 18671 1 440 . 1 1 34 34 ILE CG1 C 13 28.268 0.117 . 1 . . . A 106 ILE CG1 . 18671 1 441 . 1 1 34 34 ILE CG2 C 13 16.904 0.085 . 1 . . . A 106 ILE CG2 . 18671 1 442 . 1 1 34 34 ILE CD1 C 13 12.583 0.052 . 1 . . . A 106 ILE CD1 . 18671 1 443 . 1 1 34 34 ILE N N 15 119.95 0.038 . 1 . . . A 106 ILE N . 18671 1 444 . 1 1 35 35 SER H H 1 8.337 0.008 . 1 . . . A 107 SER H . 18671 1 445 . 1 1 35 35 SER HA H 1 4.184 0.002 . 1 . . . A 107 SER HA . 18671 1 446 . 1 1 35 35 SER HB3 H 1 3.932 0 . 1 . . . A 107 SER HB3 . 18671 1 447 . 1 1 35 35 SER C C 13 175.846 0 . 1 . . . A 107 SER C . 18671 1 448 . 1 1 35 35 SER CA C 13 61.955 0.055 . 1 . . . A 107 SER CA . 18671 1 449 . 1 1 35 35 SER CB C 13 62.631 0 . 1 . . . A 107 SER CB . 18671 1 450 . 1 1 35 35 SER N N 15 120.726 0.015 . 1 . . . A 107 SER N . 18671 1 451 . 1 1 36 36 GLU H H 1 7.305 0.003 . 1 . . . A 108 GLU H . 18671 1 452 . 1 1 36 36 GLU HA H 1 4.164 0.003 . 1 . . . A 108 GLU HA . 18671 1 453 . 1 1 36 36 GLU HB2 H 1 1.338 0.003 . 2 . . . A 108 GLU HB2 . 18671 1 454 . 1 1 36 36 GLU HB3 H 1 2.16 0.002 . 2 . . . A 108 GLU HB3 . 18671 1 455 . 1 1 36 36 GLU HG3 H 1 1.571 0.003 . 1 . . . A 108 GLU HG3 . 18671 1 456 . 1 1 36 36 GLU C C 13 174.459 0 . 1 . . . A 108 GLU C . 18671 1 457 . 1 1 36 36 GLU CA C 13 55.63 0 . 1 . . . A 108 GLU CA . 18671 1 458 . 1 1 36 36 GLU CB C 13 29.188 0.074 . 1 . . . A 108 GLU CB . 18671 1 459 . 1 1 36 36 GLU CG C 13 35.774 0 . 1 . . . A 108 GLU CG . 18671 1 460 . 1 1 36 36 GLU N N 15 117.665 0.023 . 1 . . . A 108 GLU N . 18671 1 461 . 1 1 37 37 GLU H H 1 8.059 0.002 . 1 . . . A 109 GLU H . 18671 1 462 . 1 1 37 37 GLU HA H 1 3.92 0 . 1 . . . A 109 GLU HA . 18671 1 463 . 1 1 37 37 GLU HB2 H 1 2.126 0 . 2 . . . A 109 GLU HB2 . 18671 1 464 . 1 1 37 37 GLU HB3 H 1 2.185 0 . 2 . . . A 109 GLU HB3 . 18671 1 465 . 1 1 37 37 GLU HG3 H 1 2.113 0 . 1 . . . A 109 GLU HG3 . 18671 1 466 . 1 1 37 37 GLU C C 13 176.299 0 . 1 . . . A 109 GLU C . 18671 1 467 . 1 1 37 37 GLU CA C 13 57.372 0 . 1 . . . A 109 GLU CA . 18671 1 468 . 1 1 37 37 GLU CB C 13 26.41 0.017 . 1 . . . A 109 GLU CB . 18671 1 469 . 1 1 37 37 GLU CG C 13 36.904 0 . 1 . . . A 109 GLU CG . 18671 1 470 . 1 1 37 37 GLU N N 15 113.644 0.019 . 1 . . . A 109 GLU N . 18671 1 471 . 1 1 38 38 LYS H H 1 8.062 0.003 . 1 . . . A 110 LYS H . 18671 1 472 . 1 1 38 38 LYS HA H 1 4.234 0 . 1 . . . A 110 LYS HA . 18671 1 473 . 1 1 38 38 LYS HB2 H 1 1.395 0 . 2 . . . A 110 LYS HB2 . 18671 1 474 . 1 1 38 38 LYS HB3 H 1 1.783 0 . 2 . . . A 110 LYS HB3 . 18671 1 475 . 1 1 38 38 LYS C C 13 175.156 0 . 1 . . . A 110 LYS C . 18671 1 476 . 1 1 38 38 LYS CA C 13 54.353 0 . 1 . . . A 110 LYS CA . 18671 1 477 . 1 1 38 38 LYS CB C 13 31.553 0.024 . 1 . . . A 110 LYS CB . 18671 1 478 . 1 1 38 38 LYS N N 15 113.222 0.013 . 1 . . . A 110 LYS N . 18671 1 479 . 1 1 39 39 ALA H H 1 7.433 0.001 . 1 . . . A 111 ALA H . 18671 1 480 . 1 1 39 39 ALA HA H 1 4.385 0.001 . 1 . . . A 111 ALA HA . 18671 1 481 . 1 1 39 39 ALA HB1 H 1 1.273 0.004 . 1 . . . A 111 ALA HB1 . 18671 1 482 . 1 1 39 39 ALA HB2 H 1 1.273 0.004 . 1 . . . A 111 ALA HB2 . 18671 1 483 . 1 1 39 39 ALA HB3 H 1 1.273 0.004 . 1 . . . A 111 ALA HB3 . 18671 1 484 . 1 1 39 39 ALA C C 13 175.282 0 . 1 . . . A 111 ALA C . 18671 1 485 . 1 1 39 39 ALA CA C 13 50.535 0.053 . 1 . . . A 111 ALA CA . 18671 1 486 . 1 1 39 39 ALA CB C 13 21.839 0.016 . 1 . . . A 111 ALA CB . 18671 1 487 . 1 1 39 39 ALA N N 15 116.451 0.012 . 1 . . . A 111 ALA N . 18671 1 488 . 1 1 40 40 SER H H 1 9.058 0.002 . 1 . . . A 112 SER H . 18671 1 489 . 1 1 40 40 SER HA H 1 4.587 0.019 . 1 . . . A 112 SER HA . 18671 1 490 . 1 1 40 40 SER HB2 H 1 3.817 0.002 . 2 . . . A 112 SER HB2 . 18671 1 491 . 1 1 40 40 SER HB3 H 1 3.661 0.003 . 2 . . . A 112 SER HB3 . 18671 1 492 . 1 1 40 40 SER C C 13 173.732 0 . 1 . . . A 112 SER C . 18671 1 493 . 1 1 40 40 SER CA C 13 59.792 0 . 1 . . . A 112 SER CA . 18671 1 494 . 1 1 40 40 SER CB C 13 64.72 0.037 . 1 . . . A 112 SER CB . 18671 1 495 . 1 1 40 40 SER N N 15 113.717 0.027 . 1 . . . A 112 SER N . 18671 1 496 . 1 1 41 41 HIS H H 1 7.729 0.005 . 1 . . . A 113 HIS H . 18671 1 497 . 1 1 41 41 HIS HA H 1 4.682 0.007 . 1 . . . A 113 HIS HA . 18671 1 498 . 1 1 41 41 HIS HB3 H 1 2.876 0.003 . 1 . . . A 113 HIS HB3 . 18671 1 499 . 1 1 41 41 HIS CA C 13 56.1 0.03 . 1 . . . A 113 HIS CA . 18671 1 500 . 1 1 41 41 HIS CB C 13 34.065 0.053 . 1 . . . A 113 HIS CB . 18671 1 501 . 1 1 41 41 HIS N N 15 119.401 0.035 . 1 . . . A 113 HIS N . 18671 1 502 . 1 1 42 42 ILE H H 1 8.483 0.002 . 1 . . . A 114 ILE H . 18671 1 503 . 1 1 42 42 ILE HA H 1 3.631 0.004 . 1 . . . A 114 ILE HA . 18671 1 504 . 1 1 42 42 ILE HB H 1 1.799 0.009 . 1 . . . A 114 ILE HB . 18671 1 505 . 1 1 42 42 ILE HG12 H 1 1.412 0.004 . 2 . . . A 114 ILE HG12 . 18671 1 506 . 1 1 42 42 ILE HG13 H 1 1.08 0.006 . 2 . . . A 114 ILE HG13 . 18671 1 507 . 1 1 42 42 ILE HG21 H 1 0.817 0 . 1 . . . A 114 ILE HG21 . 18671 1 508 . 1 1 42 42 ILE HG22 H 1 0.817 0 . 1 . . . A 114 ILE HG22 . 18671 1 509 . 1 1 42 42 ILE HG23 H 1 0.817 0 . 1 . . . A 114 ILE HG23 . 18671 1 510 . 1 1 42 42 ILE HD11 H 1 0.77 0 . 1 . . . A 114 ILE HD11 . 18671 1 511 . 1 1 42 42 ILE HD12 H 1 0.77 0 . 1 . . . A 114 ILE HD12 . 18671 1 512 . 1 1 42 42 ILE HD13 H 1 0.77 0 . 1 . . . A 114 ILE HD13 . 18671 1 513 . 1 1 42 42 ILE C C 13 177.651 0 . 1 . . . A 114 ILE C . 18671 1 514 . 1 1 42 42 ILE CA C 13 65.086 0.055 . 1 . . . A 114 ILE CA . 18671 1 515 . 1 1 42 42 ILE CB C 13 38.033 0.072 . 1 . . . A 114 ILE CB . 18671 1 516 . 1 1 42 42 ILE CG1 C 13 27.296 0.042 . 1 . . . A 114 ILE CG1 . 18671 1 517 . 1 1 42 42 ILE CG2 C 13 18.12 0.057 . 1 . . . A 114 ILE CG2 . 18671 1 518 . 1 1 42 42 ILE CD1 C 13 13.914 0.041 . 1 . . . A 114 ILE CD1 . 18671 1 519 . 1 1 42 42 ILE N N 15 124.611 0.045 . 1 . . . A 114 ILE N . 18671 1 520 . 1 1 43 43 SER H H 1 9.233 0.004 . 1 . . . A 115 SER H . 18671 1 521 . 1 1 43 43 SER HA H 1 4.22 0.001 . 1 . . . A 115 SER HA . 18671 1 522 . 1 1 43 43 SER HB3 H 1 4.031 0.004 . 1 . . . A 115 SER HB3 . 18671 1 523 . 1 1 43 43 SER C C 13 175.398 0 . 1 . . . A 115 SER C . 18671 1 524 . 1 1 43 43 SER CA C 13 60.679 0 . 1 . . . A 115 SER CA . 18671 1 525 . 1 1 43 43 SER CB C 13 62.893 0 . 1 . . . A 115 SER CB . 18671 1 526 . 1 1 43 43 SER N N 15 117.266 0.036 . 1 . . . A 115 SER N . 18671 1 527 . 1 1 44 44 GLU H H 1 7.691 0.004 . 1 . . . A 116 GLU H . 18671 1 528 . 1 1 44 44 GLU HA H 1 4.29 0.003 . 1 . . . A 116 GLU HA . 18671 1 529 . 1 1 44 44 GLU HB3 H 1 2.099 0 . 1 . . . A 116 GLU HB3 . 18671 1 530 . 1 1 44 44 GLU HG2 H 1 2.455 0.006 . 2 . . . A 116 GLU HG2 . 18671 1 531 . 1 1 44 44 GLU HG3 H 1 2.28 0.003 . 2 . . . A 116 GLU HG3 . 18671 1 532 . 1 1 44 44 GLU C C 13 175.571 0 . 1 . . . A 116 GLU C . 18671 1 533 . 1 1 44 44 GLU CA C 13 56.754 0.05 . 1 . . . A 116 GLU CA . 18671 1 534 . 1 1 44 44 GLU CB C 13 31.111 0 . 1 . . . A 116 GLU CB . 18671 1 535 . 1 1 44 44 GLU CG C 13 37.45 0.037 . 1 . . . A 116 GLU CG . 18671 1 536 . 1 1 44 44 GLU N N 15 119.464 0.022 . 1 . . . A 116 GLU N . 18671 1 537 . 1 1 45 45 ILE H H 1 7.339 0.005 . 1 . . . A 117 ILE H . 18671 1 538 . 1 1 45 45 ILE HA H 1 4.528 0.007 . 1 . . . A 117 ILE HA . 18671 1 539 . 1 1 45 45 ILE HB H 1 1.629 0.001 . 1 . . . A 117 ILE HB . 18671 1 540 . 1 1 45 45 ILE HG12 H 1 1.67 0 . 2 . . . A 117 ILE HG12 . 18671 1 541 . 1 1 45 45 ILE HG13 H 1 0.568 0.004 . 2 . . . A 117 ILE HG13 . 18671 1 542 . 1 1 45 45 ILE HG21 H 1 0.721 0.001 . 1 . . . A 117 ILE HG21 . 18671 1 543 . 1 1 45 45 ILE HG22 H 1 0.721 0.001 . 1 . . . A 117 ILE HG22 . 18671 1 544 . 1 1 45 45 ILE HG23 H 1 0.721 0.001 . 1 . . . A 117 ILE HG23 . 18671 1 545 . 1 1 45 45 ILE HD11 H 1 0.768 0 . 1 . . . A 117 ILE HD11 . 18671 1 546 . 1 1 45 45 ILE HD12 H 1 0.768 0 . 1 . . . A 117 ILE HD12 . 18671 1 547 . 1 1 45 45 ILE HD13 H 1 0.768 0 . 1 . . . A 117 ILE HD13 . 18671 1 548 . 1 1 45 45 ILE C C 13 174.896 0 . 1 . . . A 117 ILE C . 18671 1 549 . 1 1 45 45 ILE CA C 13 61.279 0.142 . 1 . . . A 117 ILE CA . 18671 1 550 . 1 1 45 45 ILE CB C 13 41.019 0.092 . 1 . . . A 117 ILE CB . 18671 1 551 . 1 1 45 45 ILE CG1 C 13 27.032 0.069 . 1 . . . A 117 ILE CG1 . 18671 1 552 . 1 1 45 45 ILE CG2 C 13 19.434 0.045 . 1 . . . A 117 ILE CG2 . 18671 1 553 . 1 1 45 45 ILE CD1 C 13 15.991 0.063 . 1 . . . A 117 ILE CD1 . 18671 1 554 . 1 1 45 45 ILE N N 15 116.98 0.029 . 1 . . . A 117 ILE N . 18671 1 555 . 1 1 46 46 LYS H H 1 9.056 0.006 . 1 . . . A 118 LYS H . 18671 1 556 . 1 1 46 46 LYS HA H 1 4.53 0.003 . 1 . . . A 118 LYS HA . 18671 1 557 . 1 1 46 46 LYS HB2 H 1 1.469 0.01 . 2 . . . A 118 LYS HB2 . 18671 1 558 . 1 1 46 46 LYS HB3 H 1 1.582 0 . 2 . . . A 118 LYS HB3 . 18671 1 559 . 1 1 46 46 LYS HG2 H 1 1.29 0.007 . 2 . . . A 118 LYS HG2 . 18671 1 560 . 1 1 46 46 LYS HG3 H 1 1.436 0.003 . 2 . . . A 118 LYS HG3 . 18671 1 561 . 1 1 46 46 LYS HD3 H 1 1.458 0 . 1 . . . A 118 LYS HD3 . 18671 1 562 . 1 1 46 46 LYS HE3 H 1 2.897 0.003 . 1 . . . A 118 LYS HE3 . 18671 1 563 . 1 1 46 46 LYS C C 13 174.183 0 . 1 . . . A 118 LYS C . 18671 1 564 . 1 1 46 46 LYS CA C 13 54.823 0.058 . 1 . . . A 118 LYS CA . 18671 1 565 . 1 1 46 46 LYS CB C 13 35.508 0.052 . 1 . . . A 118 LYS CB . 18671 1 566 . 1 1 46 46 LYS CG C 13 24.833 0.047 . 1 . . . A 118 LYS CG . 18671 1 567 . 1 1 46 46 LYS CD C 13 29.484 0 . 1 . . . A 118 LYS CD . 18671 1 568 . 1 1 46 46 LYS CE C 13 41.836 0 . 1 . . . A 118 LYS CE . 18671 1 569 . 1 1 46 46 LYS N N 15 127.356 0.018 . 1 . . . A 118 LYS N . 18671 1 570 . 1 1 47 47 LEU H H 1 8.469 0.002 . 1 . . . A 119 LEU H . 18671 1 571 . 1 1 47 47 LEU HA H 1 5.352 0.006 . 1 . . . A 119 LEU HA . 18671 1 572 . 1 1 47 47 LEU HB2 H 1 1.547 0 . 2 . . . A 119 LEU HB2 . 18671 1 573 . 1 1 47 47 LEU HB3 H 1 1.091 0 . 2 . . . A 119 LEU HB3 . 18671 1 574 . 1 1 47 47 LEU HG H 1 1.532 0 . 1 . . . A 119 LEU HG . 18671 1 575 . 1 1 47 47 LEU HD11 H 1 0.774 0.005 . 2 . . . A 119 LEU HD11 . 18671 1 576 . 1 1 47 47 LEU HD12 H 1 0.774 0.005 . 2 . . . A 119 LEU HD12 . 18671 1 577 . 1 1 47 47 LEU HD13 H 1 0.774 0.005 . 2 . . . A 119 LEU HD13 . 18671 1 578 . 1 1 47 47 LEU HD21 H 1 0.719 0.001 . 2 . . . A 119 LEU HD21 . 18671 1 579 . 1 1 47 47 LEU HD22 H 1 0.719 0.001 . 2 . . . A 119 LEU HD22 . 18671 1 580 . 1 1 47 47 LEU HD23 H 1 0.719 0.001 . 2 . . . A 119 LEU HD23 . 18671 1 581 . 1 1 47 47 LEU C C 13 175.02 0 . 1 . . . A 119 LEU C . 18671 1 582 . 1 1 47 47 LEU CA C 13 52.535 0.037 . 1 . . . A 119 LEU CA . 18671 1 583 . 1 1 47 47 LEU CB C 13 44.387 0.068 . 1 . . . A 119 LEU CB . 18671 1 584 . 1 1 47 47 LEU CG C 13 27.461 0 . 1 . . . A 119 LEU CG . 18671 1 585 . 1 1 47 47 LEU CD1 C 13 25.296 0.036 . 2 . . . A 119 LEU CD1 . 18671 1 586 . 1 1 47 47 LEU CD2 C 13 27.904 0.072 . 2 . . . A 119 LEU CD2 . 18671 1 587 . 1 1 47 47 LEU N N 15 121.663 0.041 . 1 . . . A 119 LEU N . 18671 1 588 . 1 1 48 48 LEU H H 1 8.942 0.003 . 1 . . . A 120 LEU H . 18671 1 589 . 1 1 48 48 LEU HA H 1 5.502 0.005 . 1 . . . A 120 LEU HA . 18671 1 590 . 1 1 48 48 LEU HB2 H 1 1.318 0.009 . 2 . . . A 120 LEU HB2 . 18671 1 591 . 1 1 48 48 LEU HB3 H 1 1.457 0.005 . 2 . . . A 120 LEU HB3 . 18671 1 592 . 1 1 48 48 LEU HG H 1 1.437 0.004 . 1 . . . A 120 LEU HG . 18671 1 593 . 1 1 48 48 LEU HD11 H 1 0.603 0.002 . 2 . . . A 120 LEU HD11 . 18671 1 594 . 1 1 48 48 LEU HD12 H 1 0.603 0.002 . 2 . . . A 120 LEU HD12 . 18671 1 595 . 1 1 48 48 LEU HD13 H 1 0.603 0.002 . 2 . . . A 120 LEU HD13 . 18671 1 596 . 1 1 48 48 LEU HD21 H 1 0.651 0.007 . 2 . . . A 120 LEU HD21 . 18671 1 597 . 1 1 48 48 LEU HD22 H 1 0.651 0.007 . 2 . . . A 120 LEU HD22 . 18671 1 598 . 1 1 48 48 LEU HD23 H 1 0.651 0.007 . 2 . . . A 120 LEU HD23 . 18671 1 599 . 1 1 48 48 LEU C C 13 175.924 0 . 1 . . . A 120 LEU C . 18671 1 600 . 1 1 48 48 LEU CA C 13 54.33 0.047 . 1 . . . A 120 LEU CA . 18671 1 601 . 1 1 48 48 LEU CB C 13 46.376 0.084 . 1 . . . A 120 LEU CB . 18671 1 602 . 1 1 48 48 LEU CG C 13 29.297 0.047 . 1 . . . A 120 LEU CG . 18671 1 603 . 1 1 48 48 LEU CD1 C 13 28.096 0.034 . 2 . . . A 120 LEU CD1 . 18671 1 604 . 1 1 48 48 LEU CD2 C 13 25.792 0.07 . 2 . . . A 120 LEU CD2 . 18671 1 605 . 1 1 48 48 LEU N N 15 120.607 0.036 . 1 . . . A 120 LEU N . 18671 1 606 . 1 1 49 49 LEU H H 1 8.406 0.002 . 1 . . . A 121 LEU H . 18671 1 607 . 1 1 49 49 LEU HA H 1 4.841 0.003 . 1 . . . A 121 LEU HA . 18671 1 608 . 1 1 49 49 LEU HB2 H 1 1.108 0.007 . 2 . . . A 121 LEU HB2 . 18671 1 609 . 1 1 49 49 LEU HB3 H 1 1.849 0.008 . 2 . . . A 121 LEU HB3 . 18671 1 610 . 1 1 49 49 LEU HG H 1 1.426 0.014 . 1 . . . A 121 LEU HG . 18671 1 611 . 1 1 49 49 LEU HD11 H 1 0.837 0.006 . 2 . . . A 121 LEU HD11 . 18671 1 612 . 1 1 49 49 LEU HD12 H 1 0.837 0.006 . 2 . . . A 121 LEU HD12 . 18671 1 613 . 1 1 49 49 LEU HD13 H 1 0.837 0.006 . 2 . . . A 121 LEU HD13 . 18671 1 614 . 1 1 49 49 LEU HD21 H 1 0.824 0.004 . 2 . . . A 121 LEU HD21 . 18671 1 615 . 1 1 49 49 LEU HD22 H 1 0.824 0.004 . 2 . . . A 121 LEU HD22 . 18671 1 616 . 1 1 49 49 LEU HD23 H 1 0.824 0.004 . 2 . . . A 121 LEU HD23 . 18671 1 617 . 1 1 49 49 LEU C C 13 176.064 0 . 1 . . . A 121 LEU C . 18671 1 618 . 1 1 49 49 LEU CA C 13 53.676 0.053 . 1 . . . A 121 LEU CA . 18671 1 619 . 1 1 49 49 LEU CB C 13 44.753 0.088 . 1 . . . A 121 LEU CB . 18671 1 620 . 1 1 49 49 LEU CG C 13 27.302 0.03 . 1 . . . A 121 LEU CG . 18671 1 621 . 1 1 49 49 LEU CD1 C 13 26.781 0.082 . 2 . . . A 121 LEU CD1 . 18671 1 622 . 1 1 49 49 LEU CD2 C 13 23.357 0.006 . 2 . . . A 121 LEU CD2 . 18671 1 623 . 1 1 49 49 LEU N N 15 121.636 0.019 . 1 . . . A 121 LEU N . 18671 1 624 . 1 1 50 50 LYS H H 1 9.434 0.002 . 1 . . . A 122 LYS H . 18671 1 625 . 1 1 50 50 LYS HA H 1 3.682 0.005 . 1 . . . A 122 LYS HA . 18671 1 626 . 1 1 50 50 LYS HB2 H 1 1.966 0 . 2 . . . A 122 LYS HB2 . 18671 1 627 . 1 1 50 50 LYS HB3 H 1 1.913 0 . 2 . . . A 122 LYS HB3 . 18671 1 628 . 1 1 50 50 LYS HG2 H 1 1.456 0 . 2 . . . A 122 LYS HG2 . 18671 1 629 . 1 1 50 50 LYS HG3 H 1 1.511 0 . 2 . . . A 122 LYS HG3 . 18671 1 630 . 1 1 50 50 LYS HD3 H 1 1.737 0 . 1 . . . A 122 LYS HD3 . 18671 1 631 . 1 1 50 50 LYS HE3 H 1 3.057 0.011 . 1 . . . A 122 LYS HE3 . 18671 1 632 . 1 1 50 50 LYS C C 13 175.379 0 . 1 . . . A 122 LYS C . 18671 1 633 . 1 1 50 50 LYS CA C 13 58.054 0.042 . 1 . . . A 122 LYS CA . 18671 1 634 . 1 1 50 50 LYS CB C 13 30.613 0.055 . 1 . . . A 122 LYS CB . 18671 1 635 . 1 1 50 50 LYS CG C 13 25.333 0 . 1 . . . A 122 LYS CG . 18671 1 636 . 1 1 50 50 LYS CD C 13 29.254 0 . 1 . . . A 122 LYS CD . 18671 1 637 . 1 1 50 50 LYS CE C 13 42.111 0.013 . 1 . . . A 122 LYS CE . 18671 1 638 . 1 1 50 50 LYS N N 15 128.742 0.021 . 1 . . . A 122 LYS N . 18671 1 639 . 1 1 51 51 GLY H H 1 8.509 0.004 . 1 . . . A 123 GLY H . 18671 1 640 . 1 1 51 51 GLY HA2 H 1 4.245 0.006 . 2 . . . A 123 GLY HA2 . 18671 1 641 . 1 1 51 51 GLY HA3 H 1 3.61 0.008 . 2 . . . A 123 GLY HA3 . 18671 1 642 . 1 1 51 51 GLY C C 13 171.609 0 . 1 . . . A 123 GLY C . 18671 1 643 . 1 1 51 51 GLY CA C 13 45.358 0.065 . 1 . . . A 123 GLY CA . 18671 1 644 . 1 1 51 51 GLY N N 15 107.773 0.025 . 1 . . . A 123 GLY N . 18671 1 645 . 1 1 52 52 LYS H H 1 7.633 0.005 . 1 . . . A 124 LYS H . 18671 1 646 . 1 1 52 52 LYS HA H 1 4.176 0.008 . 1 . . . A 124 LYS HA . 18671 1 647 . 1 1 52 52 LYS HB2 H 1 1.847 0.002 . 2 . . . A 124 LYS HB2 . 18671 1 648 . 1 1 52 52 LYS HB3 H 1 1.574 0.008 . 2 . . . A 124 LYS HB3 . 18671 1 649 . 1 1 52 52 LYS HG2 H 1 1.348 0.002 . 2 . . . A 124 LYS HG2 . 18671 1 650 . 1 1 52 52 LYS HG3 H 1 1.103 0.004 . 2 . . . A 124 LYS HG3 . 18671 1 651 . 1 1 52 52 LYS HD3 H 1 1.595 0 . 1 . . . A 124 LYS HD3 . 18671 1 652 . 1 1 52 52 LYS HE2 H 1 3.017 0 . 2 . . . A 124 LYS HE2 . 18671 1 653 . 1 1 52 52 LYS HE3 H 1 2.92 0.005 . 2 . . . A 124 LYS HE3 . 18671 1 654 . 1 1 52 52 LYS C C 13 175.449 0 . 1 . . . A 124 LYS C . 18671 1 655 . 1 1 52 52 LYS CA C 13 55.138 0.085 . 1 . . . A 124 LYS CA . 18671 1 656 . 1 1 52 52 LYS CB C 13 34.446 0.066 . 1 . . . A 124 LYS CB . 18671 1 657 . 1 1 52 52 LYS CG C 13 24.398 0.056 . 1 . . . A 124 LYS CG . 18671 1 658 . 1 1 52 52 LYS CD C 13 29.629 0 . 1 . . . A 124 LYS CD . 18671 1 659 . 1 1 52 52 LYS CE C 13 41.764 0 . 1 . . . A 124 LYS CE . 18671 1 660 . 1 1 52 52 LYS N N 15 121.601 0.045 . 1 . . . A 124 LYS N . 18671 1 661 . 1 1 53 53 VAL H H 1 8.835 0.004 . 1 . . . A 125 VAL H . 18671 1 662 . 1 1 53 53 VAL HA H 1 3.931 0.013 . 1 . . . A 125 VAL HA . 18671 1 663 . 1 1 53 53 VAL HB H 1 1.983 0.003 . 1 . . . A 125 VAL HB . 18671 1 664 . 1 1 53 53 VAL HG21 H 1 0.73 0 . 1 . . . A 125 VAL HG21 . 18671 1 665 . 1 1 53 53 VAL HG22 H 1 0.73 0 . 1 . . . A 125 VAL HG22 . 18671 1 666 . 1 1 53 53 VAL HG23 H 1 0.73 0 . 1 . . . A 125 VAL HG23 . 18671 1 667 . 1 1 53 53 VAL C C 13 176.035 0 . 1 . . . A 125 VAL C . 18671 1 668 . 1 1 53 53 VAL CA C 13 63.302 0.077 . 1 . . . A 125 VAL CA . 18671 1 669 . 1 1 53 53 VAL CB C 13 30.955 0.029 . 1 . . . A 125 VAL CB . 18671 1 670 . 1 1 53 53 VAL CG2 C 13 21.542 0.08 . 1 . . . A 125 VAL CG2 . 18671 1 671 . 1 1 53 53 VAL N N 15 127.337 0.063 . 1 . . . A 125 VAL N . 18671 1 672 . 1 1 54 54 LEU H H 1 8.593 0.003 . 1 . . . A 126 LEU H . 18671 1 673 . 1 1 54 54 LEU HA H 1 4.237 0.006 . 1 . . . A 126 LEU HA . 18671 1 674 . 1 1 54 54 LEU HB2 H 1 1.633 0 . 2 . . . A 126 LEU HB2 . 18671 1 675 . 1 1 54 54 LEU HB3 H 1 1.08 0.004 . 2 . . . A 126 LEU HB3 . 18671 1 676 . 1 1 54 54 LEU HG H 1 1.688 0 . 1 . . . A 126 LEU HG . 18671 1 677 . 1 1 54 54 LEU HD11 H 1 0.648 0.006 . 2 . . . A 126 LEU HD11 . 18671 1 678 . 1 1 54 54 LEU HD12 H 1 0.648 0.006 . 2 . . . A 126 LEU HD12 . 18671 1 679 . 1 1 54 54 LEU HD13 H 1 0.648 0.006 . 2 . . . A 126 LEU HD13 . 18671 1 680 . 1 1 54 54 LEU HD21 H 1 0.626 0.005 . 2 . . . A 126 LEU HD21 . 18671 1 681 . 1 1 54 54 LEU HD22 H 1 0.626 0.005 . 2 . . . A 126 LEU HD22 . 18671 1 682 . 1 1 54 54 LEU HD23 H 1 0.626 0.005 . 2 . . . A 126 LEU HD23 . 18671 1 683 . 1 1 54 54 LEU C C 13 175.754 0 . 1 . . . A 126 LEU C . 18671 1 684 . 1 1 54 54 LEU CA C 13 53.876 0.103 . 1 . . . A 126 LEU CA . 18671 1 685 . 1 1 54 54 LEU CB C 13 42.382 0.066 . 1 . . . A 126 LEU CB . 18671 1 686 . 1 1 54 54 LEU CG C 13 26.678 0 . 1 . . . A 126 LEU CG . 18671 1 687 . 1 1 54 54 LEU CD1 C 13 25.882 0.085 . 2 . . . A 126 LEU CD1 . 18671 1 688 . 1 1 54 54 LEU CD2 C 13 21.99 0.071 . 2 . . . A 126 LEU CD2 . 18671 1 689 . 1 1 54 54 LEU N N 15 128.307 0.034 . 1 . . . A 126 LEU N . 18671 1 690 . 1 1 55 55 HIS H H 1 7.94 0.003 . 1 . . . A 127 HIS H . 18671 1 691 . 1 1 55 55 HIS HA H 1 4.665 0.005 . 1 . . . A 127 HIS HA . 18671 1 692 . 1 1 55 55 HIS HB2 H 1 3.016 0.001 . 2 . . . A 127 HIS HB2 . 18671 1 693 . 1 1 55 55 HIS HB3 H 1 3.342 0.004 . 2 . . . A 127 HIS HB3 . 18671 1 694 . 1 1 55 55 HIS C C 13 175.518 0 . 1 . . . A 127 HIS C . 18671 1 695 . 1 1 55 55 HIS CA C 13 55.267 0.008 . 1 . . . A 127 HIS CA . 18671 1 696 . 1 1 55 55 HIS CB C 13 30.296 0 . 1 . . . A 127 HIS CB . 18671 1 697 . 1 1 55 55 HIS N N 15 122.022 0.031 . 1 . . . A 127 HIS N . 18671 1 698 . 1 1 56 56 ASP H H 1 8.096 0.005 . 1 . . . A 128 ASP H . 18671 1 699 . 1 1 56 56 ASP HA H 1 4.104 0.004 . 1 . . . A 128 ASP HA . 18671 1 700 . 1 1 56 56 ASP HB2 H 1 2.441 0 . 2 . . . A 128 ASP HB2 . 18671 1 701 . 1 1 56 56 ASP HB3 H 1 2.471 0 . 2 . . . A 128 ASP HB3 . 18671 1 702 . 1 1 56 56 ASP C C 13 175.91 0 . 1 . . . A 128 ASP C . 18671 1 703 . 1 1 56 56 ASP CA C 13 57.746 0.093 . 1 . . . A 128 ASP CA . 18671 1 704 . 1 1 56 56 ASP CB C 13 41.632 0.062 . 1 . . . A 128 ASP CB . 18671 1 705 . 1 1 56 56 ASP N N 15 118.662 0.043 . 1 . . . A 128 ASP N . 18671 1 706 . 1 1 57 57 ASN H H 1 8.106 0.001 . 1 . . . A 129 ASN H . 18671 1 707 . 1 1 57 57 ASN HA H 1 4.477 0.003 . 1 . . . A 129 ASN HA . 18671 1 708 . 1 1 57 57 ASN HB2 H 1 2.691 0 . 2 . . . A 129 ASN HB2 . 18671 1 709 . 1 1 57 57 ASN HB3 H 1 2.886 0 . 2 . . . A 129 ASN HB3 . 18671 1 710 . 1 1 57 57 ASN HD21 H 1 7.521 0.002 . 1 . . . A 129 ASN HD21 . 18671 1 711 . 1 1 57 57 ASN HD22 H 1 6.758 0.003 . 1 . . . A 129 ASN HD22 . 18671 1 712 . 1 1 57 57 ASN C C 13 174.932 0 . 1 . . . A 129 ASN C . 18671 1 713 . 1 1 57 57 ASN CA C 13 52.799 0.05 . 1 . . . A 129 ASN CA . 18671 1 714 . 1 1 57 57 ASN CB C 13 37.666 0.023 . 1 . . . A 129 ASN CB . 18671 1 715 . 1 1 57 57 ASN N N 15 111.422 0.038 . 1 . . . A 129 ASN N . 18671 1 716 . 1 1 57 57 ASN ND2 N 15 112.123 0 . 1 . . . A 129 ASN ND2 . 18671 1 717 . 1 1 58 58 LEU H H 1 7.23 0.001 . 1 . . . A 130 LEU H . 18671 1 718 . 1 1 58 58 LEU HA H 1 4.153 0.006 . 1 . . . A 130 LEU HA . 18671 1 719 . 1 1 58 58 LEU HB2 H 1 1.554 0 . 2 . . . A 130 LEU HB2 . 18671 1 720 . 1 1 58 58 LEU HB3 H 1 1.667 0.005 . 2 . . . A 130 LEU HB3 . 18671 1 721 . 1 1 58 58 LEU HG H 1 1.001 0.004 . 1 . . . A 130 LEU HG . 18671 1 722 . 1 1 58 58 LEU HD21 H 1 0.838 0.01 . 1 . . . A 130 LEU HD21 . 18671 1 723 . 1 1 58 58 LEU HD22 H 1 0.838 0.01 . 1 . . . A 130 LEU HD22 . 18671 1 724 . 1 1 58 58 LEU HD23 H 1 0.838 0.01 . 1 . . . A 130 LEU HD23 . 18671 1 725 . 1 1 58 58 LEU C C 13 176.436 0 . 1 . . . A 130 LEU C . 18671 1 726 . 1 1 58 58 LEU CA C 13 55.404 0.045 . 1 . . . A 130 LEU CA . 18671 1 727 . 1 1 58 58 LEU CB C 13 42.615 0.035 . 1 . . . A 130 LEU CB . 18671 1 728 . 1 1 58 58 LEU CG C 13 25.738 0.026 . 1 . . . A 130 LEU CG . 18671 1 729 . 1 1 58 58 LEU CD2 C 13 24.869 0 . 1 . . . A 130 LEU CD2 . 18671 1 730 . 1 1 58 58 LEU N N 15 121.76 0.025 . 1 . . . A 130 LEU N . 18671 1 731 . 1 1 59 59 PHE H H 1 8.635 0.003 . 1 . . . A 131 PHE H . 18671 1 732 . 1 1 59 59 PHE HA H 1 4.804 0.004 . 1 . . . A 131 PHE HA . 18671 1 733 . 1 1 59 59 PHE HB2 H 1 3.294 0.004 . 2 . . . A 131 PHE HB2 . 18671 1 734 . 1 1 59 59 PHE HB3 H 1 2.866 0.006 . 2 . . . A 131 PHE HB3 . 18671 1 735 . 1 1 59 59 PHE HD1 H 1 7.35 0.003 . 3 . . . A 131 PHE HD1 . 18671 1 736 . 1 1 59 59 PHE HD2 H 1 7.35 0.003 . 3 . . . A 131 PHE HD2 . 18671 1 737 . 1 1 59 59 PHE C C 13 178.676 0 . 1 . . . A 131 PHE C . 18671 1 738 . 1 1 59 59 PHE CA C 13 57.876 0.066 . 1 . . . A 131 PHE CA . 18671 1 739 . 1 1 59 59 PHE CB C 13 40.187 0.051 . 1 . . . A 131 PHE CB . 18671 1 740 . 1 1 59 59 PHE N N 15 121.73 0.024 . 1 . . . A 131 PHE N . 18671 1 741 . 1 1 60 60 LEU H H 1 8.996 0.004 . 1 . . . A 132 LEU H . 18671 1 742 . 1 1 60 60 LEU HA H 1 3.924 0.004 . 1 . . . A 132 LEU HA . 18671 1 743 . 1 1 60 60 LEU HB2 H 1 1.409 0.006 . 2 . . . A 132 LEU HB2 . 18671 1 744 . 1 1 60 60 LEU HB3 H 1 1.961 0.004 . 2 . . . A 132 LEU HB3 . 18671 1 745 . 1 1 60 60 LEU HG H 1 1.528 0.002 . 1 . . . A 132 LEU HG . 18671 1 746 . 1 1 60 60 LEU HD11 H 1 0.54 0.004 . 2 . . . A 132 LEU HD11 . 18671 1 747 . 1 1 60 60 LEU HD12 H 1 0.54 0.004 . 2 . . . A 132 LEU HD12 . 18671 1 748 . 1 1 60 60 LEU HD13 H 1 0.54 0.004 . 2 . . . A 132 LEU HD13 . 18671 1 749 . 1 1 60 60 LEU HD21 H 1 0.68 0.005 . 2 . . . A 132 LEU HD21 . 18671 1 750 . 1 1 60 60 LEU HD22 H 1 0.68 0.005 . 2 . . . A 132 LEU HD22 . 18671 1 751 . 1 1 60 60 LEU HD23 H 1 0.68 0.005 . 2 . . . A 132 LEU HD23 . 18671 1 752 . 1 1 60 60 LEU C C 13 180.292 0 . 1 . . . A 132 LEU C . 18671 1 753 . 1 1 60 60 LEU CA C 13 57.941 0.091 . 1 . . . A 132 LEU CA . 18671 1 754 . 1 1 60 60 LEU CB C 13 40.414 0.057 . 1 . . . A 132 LEU CB . 18671 1 755 . 1 1 60 60 LEU CG C 13 27.87 0.095 . 1 . . . A 132 LEU CG . 18671 1 756 . 1 1 60 60 LEU CD1 C 13 23.71 0.028 . 2 . . . A 132 LEU CD1 . 18671 1 757 . 1 1 60 60 LEU CD2 C 13 25.688 0.059 . 2 . . . A 132 LEU CD2 . 18671 1 758 . 1 1 60 60 LEU N N 15 122.611 0.029 . 1 . . . A 132 LEU N . 18671 1 759 . 1 1 61 61 SER H H 1 8.656 0.003 . 1 . . . A 133 SER H . 18671 1 760 . 1 1 61 61 SER HA H 1 4.167 0.007 . 1 . . . A 133 SER HA . 18671 1 761 . 1 1 61 61 SER HB2 H 1 3.8 0.008 . 2 . . . A 133 SER HB2 . 18671 1 762 . 1 1 61 61 SER HB3 H 1 3.984 0.003 . 2 . . . A 133 SER HB3 . 18671 1 763 . 1 1 61 61 SER C C 13 175.71 0 . 1 . . . A 133 SER C . 18671 1 764 . 1 1 61 61 SER CA C 13 60.428 0 . 1 . . . A 133 SER CA . 18671 1 765 . 1 1 61 61 SER CB C 13 62.778 0 . 1 . . . A 133 SER CB . 18671 1 766 . 1 1 61 61 SER N N 15 113.01 0.019 . 1 . . . A 133 SER N . 18671 1 767 . 1 1 62 62 ASP H H 1 7.82 0.002 . 1 . . . A 134 ASP H . 18671 1 768 . 1 1 62 62 ASP HA H 1 4.743 0.007 . 1 . . . A 134 ASP HA . 18671 1 769 . 1 1 62 62 ASP HB2 H 1 2.866 0.005 . 2 . . . A 134 ASP HB2 . 18671 1 770 . 1 1 62 62 ASP HB3 H 1 3.005 0.004 . 2 . . . A 134 ASP HB3 . 18671 1 771 . 1 1 62 62 ASP C C 13 176.724 0 . 1 . . . A 134 ASP C . 18671 1 772 . 1 1 62 62 ASP CA C 13 55.67 0 . 1 . . . A 134 ASP CA . 18671 1 773 . 1 1 62 62 ASP CB C 13 41.552 0.073 . 1 . . . A 134 ASP CB . 18671 1 774 . 1 1 62 62 ASP N N 15 121.118 0.026 . 1 . . . A 134 ASP N . 18671 1 775 . 1 1 63 63 LEU H H 1 7.547 0.004 . 1 . . . A 135 LEU H . 18671 1 776 . 1 1 63 63 LEU HA H 1 4.218 0.004 . 1 . . . A 135 LEU HA . 18671 1 777 . 1 1 63 63 LEU HB2 H 1 1.535 0.005 . 2 . . . A 135 LEU HB2 . 18671 1 778 . 1 1 63 63 LEU HB3 H 1 1.776 0.004 . 2 . . . A 135 LEU HB3 . 18671 1 779 . 1 1 63 63 LEU HG H 1 1.762 0.001 . 1 . . . A 135 LEU HG . 18671 1 780 . 1 1 63 63 LEU HD11 H 1 0.776 0 . 2 . . . A 135 LEU HD11 . 18671 1 781 . 1 1 63 63 LEU HD12 H 1 0.776 0 . 2 . . . A 135 LEU HD12 . 18671 1 782 . 1 1 63 63 LEU HD13 H 1 0.776 0 . 2 . . . A 135 LEU HD13 . 18671 1 783 . 1 1 63 63 LEU HD21 H 1 0.749 0 . 2 . . . A 135 LEU HD21 . 18671 1 784 . 1 1 63 63 LEU HD22 H 1 0.749 0 . 2 . . . A 135 LEU HD22 . 18671 1 785 . 1 1 63 63 LEU HD23 H 1 0.749 0 . 2 . . . A 135 LEU HD23 . 18671 1 786 . 1 1 63 63 LEU C C 13 176.527 0 . 1 . . . A 135 LEU C . 18671 1 787 . 1 1 63 63 LEU CA C 13 55.406 0.104 . 1 . . . A 135 LEU CA . 18671 1 788 . 1 1 63 63 LEU CB C 13 43.175 0.034 . 1 . . . A 135 LEU CB . 18671 1 789 . 1 1 63 63 LEU CG C 13 26.884 0.054 . 1 . . . A 135 LEU CG . 18671 1 790 . 1 1 63 63 LEU CD1 C 13 23.371 0 . 2 . . . A 135 LEU CD1 . 18671 1 791 . 1 1 63 63 LEU CD2 C 13 24.158 0 . 2 . . . A 135 LEU CD2 . 18671 1 792 . 1 1 63 63 LEU N N 15 119.63 0.045 . 1 . . . A 135 LEU N . 18671 1 793 . 1 1 64 64 LYS H H 1 8.167 0.006 . 1 . . . A 136 LYS H . 18671 1 794 . 1 1 64 64 LYS HA H 1 4.211 0.005 . 1 . . . A 136 LYS HA . 18671 1 795 . 1 1 64 64 LYS HB3 H 1 1.845 0.001 . 1 . . . A 136 LYS HB3 . 18671 1 796 . 1 1 64 64 LYS HG2 H 1 1.439 0 . 2 . . . A 136 LYS HG2 . 18671 1 797 . 1 1 64 64 LYS HG3 H 1 1.372 0.002 . 2 . . . A 136 LYS HG3 . 18671 1 798 . 1 1 64 64 LYS HE3 H 1 3.02 0.005 . 1 . . . A 136 LYS HE3 . 18671 1 799 . 1 1 64 64 LYS C C 13 176.105 0 . 1 . . . A 136 LYS C . 18671 1 800 . 1 1 64 64 LYS CA C 13 55.952 0.099 . 1 . . . A 136 LYS CA . 18671 1 801 . 1 1 64 64 LYS CB C 13 29.482 0.144 . 1 . . . A 136 LYS CB . 18671 1 802 . 1 1 64 64 LYS CG C 13 24.648 0 . 1 . . . A 136 LYS CG . 18671 1 803 . 1 1 64 64 LYS CE C 13 42.292 0.024 . 1 . . . A 136 LYS CE . 18671 1 804 . 1 1 64 64 LYS N N 15 120.76 0.04 . 1 . . . A 136 LYS N . 18671 1 805 . 1 1 65 65 VAL H H 1 7.807 0.002 . 1 . . . A 137 VAL H . 18671 1 806 . 1 1 65 65 VAL HA H 1 4.347 0.008 . 1 . . . A 137 VAL HA . 18671 1 807 . 1 1 65 65 VAL HB H 1 2.103 0.013 . 1 . . . A 137 VAL HB . 18671 1 808 . 1 1 65 65 VAL HG21 H 1 0.837 0.007 . 1 . . . A 137 VAL HG21 . 18671 1 809 . 1 1 65 65 VAL HG22 H 1 0.837 0.007 . 1 . . . A 137 VAL HG22 . 18671 1 810 . 1 1 65 65 VAL HG23 H 1 0.837 0.007 . 1 . . . A 137 VAL HG23 . 18671 1 811 . 1 1 65 65 VAL C C 13 176.506 0 . 1 . . . A 137 VAL C . 18671 1 812 . 1 1 65 65 VAL CA C 13 62.256 0.135 . 1 . . . A 137 VAL CA . 18671 1 813 . 1 1 65 65 VAL CB C 13 32.676 0.057 . 1 . . . A 137 VAL CB . 18671 1 814 . 1 1 65 65 VAL CG2 C 13 20.075 0 . 1 . . . A 137 VAL CG2 . 18671 1 815 . 1 1 65 65 VAL N N 15 117.249 0.044 . 1 . . . A 137 VAL N . 18671 1 816 . 1 1 66 66 THR H H 1 7.738 0.003 . 1 . . . A 138 THR H . 18671 1 817 . 1 1 66 66 THR HA H 1 4.852 0.005 . 1 . . . A 138 THR HA . 18671 1 818 . 1 1 66 66 THR HB H 1 4.549 0.003 . 1 . . . A 138 THR HB . 18671 1 819 . 1 1 66 66 THR HG21 H 1 1.231 0.003 . 1 . . . A 138 THR HG21 . 18671 1 820 . 1 1 66 66 THR HG22 H 1 1.231 0.003 . 1 . . . A 138 THR HG22 . 18671 1 821 . 1 1 66 66 THR HG23 H 1 1.231 0.003 . 1 . . . A 138 THR HG23 . 18671 1 822 . 1 1 66 66 THR CA C 13 59.079 0.065 . 1 . . . A 138 THR CA . 18671 1 823 . 1 1 66 66 THR CB C 13 69.773 0.072 . 1 . . . A 138 THR CB . 18671 1 824 . 1 1 66 66 THR CG2 C 13 22.033 0.029 . 1 . . . A 138 THR CG2 . 18671 1 825 . 1 1 66 66 THR N N 15 116.022 0.057 . 1 . . . A 138 THR N . 18671 1 826 . 1 1 67 67 PRO HA H 1 4.308 0.009 . 1 . . . A 139 PRO HA . 18671 1 827 . 1 1 67 67 PRO HB2 H 1 1.899 0.001 . 2 . . . A 139 PRO HB2 . 18671 1 828 . 1 1 67 67 PRO HB3 H 1 2.403 0.006 . 2 . . . A 139 PRO HB3 . 18671 1 829 . 1 1 67 67 PRO HG2 H 1 2.031 0.002 . 2 . . . A 139 PRO HG2 . 18671 1 830 . 1 1 67 67 PRO HG3 H 1 2.188 0.001 . 2 . . . A 139 PRO HG3 . 18671 1 831 . 1 1 67 67 PRO HD2 H 1 3.791 0 . 2 . . . A 139 PRO HD2 . 18671 1 832 . 1 1 67 67 PRO HD3 H 1 3.86 0.008 . 2 . . . A 139 PRO HD3 . 18671 1 833 . 1 1 67 67 PRO C C 13 178.152 0 . 1 . . . A 139 PRO C . 18671 1 834 . 1 1 67 67 PRO CA C 13 66.248 0.094 . 1 . . . A 139 PRO CA . 18671 1 835 . 1 1 67 67 PRO CB C 13 31.545 0.102 . 1 . . . A 139 PRO CB . 18671 1 836 . 1 1 67 67 PRO CG C 13 28.035 0 . 1 . . . A 139 PRO CG . 18671 1 837 . 1 1 67 67 PRO CD C 13 50.365 0 . 1 . . . A 139 PRO CD . 18671 1 838 . 1 1 68 68 ALA H H 1 7.721 0.005 . 1 . . . A 140 ALA H . 18671 1 839 . 1 1 68 68 ALA HA H 1 4.344 0.003 . 1 . . . A 140 ALA HA . 18671 1 840 . 1 1 68 68 ALA HB1 H 1 1.361 0.003 . 1 . . . A 140 ALA HB1 . 18671 1 841 . 1 1 68 68 ALA HB2 H 1 1.361 0.003 . 1 . . . A 140 ALA HB2 . 18671 1 842 . 1 1 68 68 ALA HB3 H 1 1.361 0.003 . 1 . . . A 140 ALA HB3 . 18671 1 843 . 1 1 68 68 ALA C C 13 176.946 0 . 1 . . . A 140 ALA C . 18671 1 844 . 1 1 68 68 ALA CA C 13 53.064 0.063 . 1 . . . A 140 ALA CA . 18671 1 845 . 1 1 68 68 ALA CB C 13 19.104 0.072 . 1 . . . A 140 ALA CB . 18671 1 846 . 1 1 68 68 ALA N N 15 116.471 0.076 . 1 . . . A 140 ALA N . 18671 1 847 . 1 1 69 69 ASN H H 1 7.999 0.001 . 1 . . . A 141 ASN H . 18671 1 848 . 1 1 69 69 ASN HA H 1 5.058 0.004 . 1 . . . A 141 ASN HA . 18671 1 849 . 1 1 69 69 ASN HB2 H 1 2.959 0.004 . 2 . . . A 141 ASN HB2 . 18671 1 850 . 1 1 69 69 ASN HB3 H 1 2.545 0.004 . 2 . . . A 141 ASN HB3 . 18671 1 851 . 1 1 69 69 ASN HD21 H 1 7.384 0.004 . 1 . . . A 141 ASN HD21 . 18671 1 852 . 1 1 69 69 ASN HD22 H 1 6.545 0.003 . 1 . . . A 141 ASN HD22 . 18671 1 853 . 1 1 69 69 ASN C C 13 173.598 0 . 1 . . . A 141 ASN C . 18671 1 854 . 1 1 69 69 ASN CA C 13 52.184 0.038 . 1 . . . A 141 ASN CA . 18671 1 855 . 1 1 69 69 ASN CB C 13 38.805 0.047 . 1 . . . A 141 ASN CB . 18671 1 856 . 1 1 69 69 ASN N N 15 119.643 0.041 . 1 . . . A 141 ASN N . 18671 1 857 . 1 1 69 69 ASN ND2 N 15 110.302 0.028 . 1 . . . A 141 ASN ND2 . 18671 1 858 . 1 1 70 70 SER H H 1 8.148 0.001 . 1 . . . A 142 SER H . 18671 1 859 . 1 1 70 70 SER HA H 1 4.544 0 . 1 . . . A 142 SER HA . 18671 1 860 . 1 1 70 70 SER HB2 H 1 4.066 0.001 . 2 . . . A 142 SER HB2 . 18671 1 861 . 1 1 70 70 SER HB3 H 1 4.38 0.004 . 2 . . . A 142 SER HB3 . 18671 1 862 . 1 1 70 70 SER C C 13 173.032 0 . 1 . . . A 142 SER C . 18671 1 863 . 1 1 70 70 SER CA C 13 57.555 0 . 1 . . . A 142 SER CA . 18671 1 864 . 1 1 70 70 SER CB C 13 63.552 0.071 . 1 . . . A 142 SER CB . 18671 1 865 . 1 1 70 70 SER N N 15 112.421 0.037 . 1 . . . A 142 SER N . 18671 1 866 . 1 1 71 71 THR H H 1 8.074 0.004 . 1 . . . A 143 THR H . 18671 1 867 . 1 1 71 71 THR HA H 1 5.075 0.003 . 1 . . . A 143 THR HA . 18671 1 868 . 1 1 71 71 THR HB H 1 4.03 0.005 . 1 . . . A 143 THR HB . 18671 1 869 . 1 1 71 71 THR HG21 H 1 1.019 0.012 . 1 . . . A 143 THR HG21 . 18671 1 870 . 1 1 71 71 THR HG22 H 1 1.019 0.012 . 1 . . . A 143 THR HG22 . 18671 1 871 . 1 1 71 71 THR HG23 H 1 1.019 0.012 . 1 . . . A 143 THR HG23 . 18671 1 872 . 1 1 71 71 THR C C 13 173.964 0 . 1 . . . A 143 THR C . 18671 1 873 . 1 1 71 71 THR CA C 13 62.078 0.052 . 1 . . . A 143 THR CA . 18671 1 874 . 1 1 71 71 THR CB C 13 69.603 0.018 . 1 . . . A 143 THR CB . 18671 1 875 . 1 1 71 71 THR CG2 C 13 21.691 0.029 . 1 . . . A 143 THR CG2 . 18671 1 876 . 1 1 71 71 THR N N 15 117.654 0.06 . 1 . . . A 143 THR N . 18671 1 877 . 1 1 72 72 ILE H H 1 9.602 0.009 . 1 . . . A 144 ILE H . 18671 1 878 . 1 1 72 72 ILE HA H 1 4.575 0.008 . 1 . . . A 144 ILE HA . 18671 1 879 . 1 1 72 72 ILE HB H 1 1.968 0.007 . 1 . . . A 144 ILE HB . 18671 1 880 . 1 1 72 72 ILE HG12 H 1 1.216 0.001 . 2 . . . A 144 ILE HG12 . 18671 1 881 . 1 1 72 72 ILE HG13 H 1 1.264 0.007 . 2 . . . A 144 ILE HG13 . 18671 1 882 . 1 1 72 72 ILE HG21 H 1 0.782 0.002 . 1 . . . A 144 ILE HG21 . 18671 1 883 . 1 1 72 72 ILE HG22 H 1 0.782 0.002 . 1 . . . A 144 ILE HG22 . 18671 1 884 . 1 1 72 72 ILE HG23 H 1 0.782 0.002 . 1 . . . A 144 ILE HG23 . 18671 1 885 . 1 1 72 72 ILE HD11 H 1 0.563 0.011 . 1 . . . A 144 ILE HD11 . 18671 1 886 . 1 1 72 72 ILE HD12 H 1 0.563 0.011 . 1 . . . A 144 ILE HD12 . 18671 1 887 . 1 1 72 72 ILE HD13 H 1 0.563 0.011 . 1 . . . A 144 ILE HD13 . 18671 1 888 . 1 1 72 72 ILE C C 13 175.087 0 . 1 . . . A 144 ILE C . 18671 1 889 . 1 1 72 72 ILE CA C 13 58.147 0.048 . 1 . . . A 144 ILE CA . 18671 1 890 . 1 1 72 72 ILE CB C 13 39.03 0.037 . 1 . . . A 144 ILE CB . 18671 1 891 . 1 1 72 72 ILE CG1 C 13 28.369 0.025 . 1 . . . A 144 ILE CG1 . 18671 1 892 . 1 1 72 72 ILE CG2 C 13 18.837 0.066 . 1 . . . A 144 ILE CG2 . 18671 1 893 . 1 1 72 72 ILE CD1 C 13 11.261 0.064 . 1 . . . A 144 ILE CD1 . 18671 1 894 . 1 1 72 72 ILE N N 15 131.205 0.057 . 1 . . . A 144 ILE N . 18671 1 895 . 1 1 73 73 THR H H 1 9.285 0.003 . 1 . . . A 145 THR H . 18671 1 896 . 1 1 73 73 THR HA H 1 4.708 0 . 1 . . . A 145 THR HA . 18671 1 897 . 1 1 73 73 THR HB H 1 4.029 0.003 . 1 . . . A 145 THR HB . 18671 1 898 . 1 1 73 73 THR HG21 H 1 1.16 0.002 . 1 . . . A 145 THR HG21 . 18671 1 899 . 1 1 73 73 THR HG22 H 1 1.16 0.002 . 1 . . . A 145 THR HG22 . 18671 1 900 . 1 1 73 73 THR HG23 H 1 1.16 0.002 . 1 . . . A 145 THR HG23 . 18671 1 901 . 1 1 73 73 THR C C 13 173.235 0 . 1 . . . A 145 THR C . 18671 1 902 . 1 1 73 73 THR CA C 13 62.863 0 . 1 . . . A 145 THR CA . 18671 1 903 . 1 1 73 73 THR CB C 13 69.311 0.04 . 1 . . . A 145 THR CB . 18671 1 904 . 1 1 73 73 THR CG2 C 13 22.168 0.032 . 1 . . . A 145 THR CG2 . 18671 1 905 . 1 1 73 73 THR N N 15 126.016 0.035 . 1 . . . A 145 THR N . 18671 1 906 . 1 1 74 74 VAL H H 1 8.809 0.002 . 1 . . . A 146 VAL H . 18671 1 907 . 1 1 74 74 VAL HA H 1 4.376 0.005 . 1 . . . A 146 VAL HA . 18671 1 908 . 1 1 74 74 VAL HB H 1 1.584 0.01 . 1 . . . A 146 VAL HB . 18671 1 909 . 1 1 74 74 VAL HG21 H 1 0.814 0.009 . 1 . . . A 146 VAL HG21 . 18671 1 910 . 1 1 74 74 VAL HG22 H 1 0.814 0.009 . 1 . . . A 146 VAL HG22 . 18671 1 911 . 1 1 74 74 VAL HG23 H 1 0.814 0.009 . 1 . . . A 146 VAL HG23 . 18671 1 912 . 1 1 74 74 VAL C C 13 174.72 0 . 1 . . . A 146 VAL C . 18671 1 913 . 1 1 74 74 VAL CA C 13 61.093 0.102 . 1 . . . A 146 VAL CA . 18671 1 914 . 1 1 74 74 VAL CB C 13 33.238 0.074 . 1 . . . A 146 VAL CB . 18671 1 915 . 1 1 74 74 VAL CG2 C 13 21.272 0.026 . 1 . . . A 146 VAL CG2 . 18671 1 916 . 1 1 74 74 VAL N N 15 127.764 0.05 . 1 . . . A 146 VAL N . 18671 1 917 . 1 1 75 75 MET H H 1 8.979 0.004 . 1 . . . A 147 MET H . 18671 1 918 . 1 1 75 75 MET HA H 1 4.845 0.005 . 1 . . . A 147 MET HA . 18671 1 919 . 1 1 75 75 MET HB2 H 1 1.812 0.006 . 2 . . . A 147 MET HB2 . 18671 1 920 . 1 1 75 75 MET HB3 H 1 2.021 0.004 . 2 . . . A 147 MET HB3 . 18671 1 921 . 1 1 75 75 MET HG2 H 1 2.243 0.005 . 2 . . . A 147 MET HG2 . 18671 1 922 . 1 1 75 75 MET HG3 H 1 2.331 0.004 . 2 . . . A 147 MET HG3 . 18671 1 923 . 1 1 75 75 MET HE1 H 1 1.957 0.001 . 1 . . . A 147 MET HE1 . 18671 1 924 . 1 1 75 75 MET HE2 H 1 1.957 0.001 . 1 . . . A 147 MET HE2 . 18671 1 925 . 1 1 75 75 MET HE3 H 1 1.957 0.001 . 1 . . . A 147 MET HE3 . 18671 1 926 . 1 1 75 75 MET C C 13 175.056 0 . 1 . . . A 147 MET C . 18671 1 927 . 1 1 75 75 MET CA C 13 53.554 0.05 . 1 . . . A 147 MET CA . 18671 1 928 . 1 1 75 75 MET CB C 13 33.712 0.056 . 1 . . . A 147 MET CB . 18671 1 929 . 1 1 75 75 MET CG C 13 32.08 0 . 1 . . . A 147 MET CG . 18671 1 930 . 1 1 75 75 MET CE C 13 17.514 0.008 . 1 . . . A 147 MET CE . 18671 1 931 . 1 1 75 75 MET N N 15 126.031 0.049 . 1 . . . A 147 MET N . 18671 1 932 . 1 1 76 76 ILE H H 1 8.843 0.002 . 1 . . . A 148 ILE H . 18671 1 933 . 1 1 76 76 ILE HA H 1 5.008 0.007 . 1 . . . A 148 ILE HA . 18671 1 934 . 1 1 76 76 ILE HB H 1 1.646 0.008 . 1 . . . A 148 ILE HB . 18671 1 935 . 1 1 76 76 ILE HG12 H 1 1.495 0.001 . 2 . . . A 148 ILE HG12 . 18671 1 936 . 1 1 76 76 ILE HG13 H 1 0.998 0.003 . 2 . . . A 148 ILE HG13 . 18671 1 937 . 1 1 76 76 ILE HG21 H 1 0.88 0.005 . 1 . . . A 148 ILE HG21 . 18671 1 938 . 1 1 76 76 ILE HG22 H 1 0.88 0.005 . 1 . . . A 148 ILE HG22 . 18671 1 939 . 1 1 76 76 ILE HG23 H 1 0.88 0.005 . 1 . . . A 148 ILE HG23 . 18671 1 940 . 1 1 76 76 ILE HD11 H 1 0.867 0.002 . 1 . . . A 148 ILE HD11 . 18671 1 941 . 1 1 76 76 ILE HD12 H 1 0.867 0.002 . 1 . . . A 148 ILE HD12 . 18671 1 942 . 1 1 76 76 ILE HD13 H 1 0.867 0.002 . 1 . . . A 148 ILE HD13 . 18671 1 943 . 1 1 76 76 ILE C C 13 175.189 0 . 1 . . . A 148 ILE C . 18671 1 944 . 1 1 76 76 ILE CA C 13 59.337 0.042 . 1 . . . A 148 ILE CA . 18671 1 945 . 1 1 76 76 ILE CB C 13 40.44 0.054 . 1 . . . A 148 ILE CB . 18671 1 946 . 1 1 76 76 ILE CG1 C 13 28.195 0.068 . 1 . . . A 148 ILE CG1 . 18671 1 947 . 1 1 76 76 ILE CG2 C 13 17.444 0.051 . 1 . . . A 148 ILE CG2 . 18671 1 948 . 1 1 76 76 ILE CD1 C 13 13.229 0.062 . 1 . . . A 148 ILE CD1 . 18671 1 949 . 1 1 76 76 ILE N N 15 123.749 0.046 . 1 . . . A 148 ILE N . 18671 1 950 . 1 1 77 77 LYS H H 1 8.804 0.002 . 1 . . . A 149 LYS H . 18671 1 951 . 1 1 77 77 LYS HA H 1 4.793 0.002 . 1 . . . A 149 LYS HA . 18671 1 952 . 1 1 77 77 LYS HB2 H 1 1.681 0.006 . 2 . . . A 149 LYS HB2 . 18671 1 953 . 1 1 77 77 LYS HB3 H 1 1.833 0.005 . 2 . . . A 149 LYS HB3 . 18671 1 954 . 1 1 77 77 LYS HG2 H 1 1.36 0.002 . 2 . . . A 149 LYS HG2 . 18671 1 955 . 1 1 77 77 LYS HG3 H 1 1.414 0.003 . 2 . . . A 149 LYS HG3 . 18671 1 956 . 1 1 77 77 LYS HD3 H 1 1.674 0.001 . 1 . . . A 149 LYS HD3 . 18671 1 957 . 1 1 77 77 LYS HE3 H 1 2.982 0.005 . 1 . . . A 149 LYS HE3 . 18671 1 958 . 1 1 77 77 LYS CA C 13 53.111 0.045 . 1 . . . A 149 LYS CA . 18671 1 959 . 1 1 77 77 LYS CB C 13 33.774 0.083 . 1 . . . A 149 LYS CB . 18671 1 960 . 1 1 77 77 LYS CG C 13 24.486 0.092 . 1 . . . A 149 LYS CG . 18671 1 961 . 1 1 77 77 LYS CD C 13 29.325 0.148 . 1 . . . A 149 LYS CD . 18671 1 962 . 1 1 77 77 LYS CE C 13 42.094 0.06 . 1 . . . A 149 LYS CE . 18671 1 963 . 1 1 77 77 LYS N N 15 130.464 0.041 . 1 . . . A 149 LYS N . 18671 1 964 . 1 1 78 78 PRO HA H 1 4.362 0.006 . 1 . . . A 150 PRO HA . 18671 1 965 . 1 1 78 78 PRO HB2 H 1 2.246 0.004 . 2 . . . A 150 PRO HB2 . 18671 1 966 . 1 1 78 78 PRO HB3 H 1 1.794 0.004 . 2 . . . A 150 PRO HB3 . 18671 1 967 . 1 1 78 78 PRO HG2 H 1 2.016 0.003 . 2 . . . A 150 PRO HG2 . 18671 1 968 . 1 1 78 78 PRO HG3 H 1 1.919 0.001 . 2 . . . A 150 PRO HG3 . 18671 1 969 . 1 1 78 78 PRO HD2 H 1 3.774 0.003 . 2 . . . A 150 PRO HD2 . 18671 1 970 . 1 1 78 78 PRO HD3 H 1 3.693 0.009 . 2 . . . A 150 PRO HD3 . 18671 1 971 . 1 1 78 78 PRO C C 13 176.512 0 . 1 . . . A 150 PRO C . 18671 1 972 . 1 1 78 78 PRO CA C 13 62.92 0.062 . 1 . . . A 150 PRO CA . 18671 1 973 . 1 1 78 78 PRO CB C 13 32.374 0.064 . 1 . . . A 150 PRO CB . 18671 1 974 . 1 1 78 78 PRO CG C 13 27.442 0.036 . 1 . . . A 150 PRO CG . 18671 1 975 . 1 1 78 78 PRO CD C 13 51.019 0.077 . 1 . . . A 150 PRO CD . 18671 1 976 . 1 1 79 79 ASN H H 1 9.085 0.002 . 1 . . . A 151 ASN H . 18671 1 977 . 1 1 79 79 ASN HA H 1 4.666 0.001 . 1 . . . A 151 ASN HA . 18671 1 978 . 1 1 79 79 ASN HB2 H 1 2.742 0.001 . 2 . . . A 151 ASN HB2 . 18671 1 979 . 1 1 79 79 ASN HB3 H 1 2.78 0.002 . 2 . . . A 151 ASN HB3 . 18671 1 980 . 1 1 79 79 ASN HD21 H 1 7.521 0 . 1 . . . A 151 ASN HD21 . 18671 1 981 . 1 1 79 79 ASN HD22 H 1 6.793 0 . 1 . . . A 151 ASN HD22 . 18671 1 982 . 1 1 79 79 ASN C C 13 175.416 0 . 1 . . . A 151 ASN C . 18671 1 983 . 1 1 79 79 ASN CA C 13 53.153 0.04 . 1 . . . A 151 ASN CA . 18671 1 984 . 1 1 79 79 ASN CB C 13 38.887 0.052 . 1 . . . A 151 ASN CB . 18671 1 985 . 1 1 79 79 ASN N N 15 120.773 0.029 . 1 . . . A 151 ASN N . 18671 1 986 . 1 1 79 79 ASN ND2 N 15 112.079 0 . 1 . . . A 151 ASN ND2 . 18671 1 987 . 1 1 80 80 LEU H H 1 8.224 0.002 . 1 . . . A 152 LEU H . 18671 1 988 . 1 1 80 80 LEU HA H 1 4.216 0.005 . 1 . . . A 152 LEU HA . 18671 1 989 . 1 1 80 80 LEU HB2 H 1 1.552 0 . 2 . . . A 152 LEU HB2 . 18671 1 990 . 1 1 80 80 LEU HB3 H 1 1.5 0 . 2 . . . A 152 LEU HB3 . 18671 1 991 . 1 1 80 80 LEU HG H 1 1.54 0.002 . 1 . . . A 152 LEU HG . 18671 1 992 . 1 1 80 80 LEU HD11 H 1 0.852 0.008 . 2 . . . A 152 LEU HD11 . 18671 1 993 . 1 1 80 80 LEU HD12 H 1 0.852 0.008 . 2 . . . A 152 LEU HD12 . 18671 1 994 . 1 1 80 80 LEU HD13 H 1 0.852 0.008 . 2 . . . A 152 LEU HD13 . 18671 1 995 . 1 1 80 80 LEU HD21 H 1 0.773 0 . 2 . . . A 152 LEU HD21 . 18671 1 996 . 1 1 80 80 LEU HD22 H 1 0.773 0 . 2 . . . A 152 LEU HD22 . 18671 1 997 . 1 1 80 80 LEU HD23 H 1 0.773 0 . 2 . . . A 152 LEU HD23 . 18671 1 998 . 1 1 80 80 LEU C C 13 177.346 0 . 1 . . . A 152 LEU C . 18671 1 999 . 1 1 80 80 LEU CA C 13 55.429 0.058 . 1 . . . A 152 LEU CA . 18671 1 1000 . 1 1 80 80 LEU CB C 13 42.295 0.065 . 1 . . . A 152 LEU CB . 18671 1 1001 . 1 1 80 80 LEU CG C 13 26.974 0.012 . 1 . . . A 152 LEU CG . 18671 1 1002 . 1 1 80 80 LEU CD1 C 13 24.974 0.005 . 2 . . . A 152 LEU CD1 . 18671 1 1003 . 1 1 80 80 LEU CD2 C 13 23.362 0.035 . 2 . . . A 152 LEU CD2 . 18671 1 1004 . 1 1 80 80 LEU N N 15 123.294 0.034 . 1 . . . A 152 LEU N . 18671 1 1005 . 1 1 81 81 GLU H H 1 8.199 0.004 . 1 . . . A 153 GLU H . 18671 1 1006 . 1 1 81 81 GLU HA H 1 4.099 0.007 . 1 . . . A 153 GLU HA . 18671 1 1007 . 1 1 81 81 GLU HB3 H 1 1.829 0.006 . 1 . . . A 153 GLU HB3 . 18671 1 1008 . 1 1 81 81 GLU HG2 H 1 2.131 0.004 . 2 . . . A 153 GLU HG2 . 18671 1 1009 . 1 1 81 81 GLU HG3 H 1 2.078 0.002 . 2 . . . A 153 GLU HG3 . 18671 1 1010 . 1 1 81 81 GLU CA C 13 57.021 0.099 . 1 . . . A 153 GLU CA . 18671 1 1011 . 1 1 81 81 GLU CB C 13 29.95 0.022 . 1 . . . A 153 GLU CB . 18671 1 1012 . 1 1 81 81 GLU CG C 13 36.238 0.074 . 1 . . . A 153 GLU CG . 18671 1 1013 . 1 1 81 81 GLU N N 15 120.335 0.017 . 1 . . . A 153 GLU N . 18671 1 1014 . 2 2 3 3 ASP H H 1 8.353 0 . 1 . . . B 1 ASP H . 18671 1 1015 . 2 2 3 3 ASP N N 15 122.522 0 . 1 . . . B 1 ASP N . 18671 1 1016 . 2 2 4 4 SER H H 1 8.028 0 . 1 . . . B 2 SER H . 18671 1 1017 . 2 2 4 4 SER N N 15 115.259 0 . 1 . . . B 2 SER N . 18671 1 1018 . 2 2 5 5 ALA H H 1 8.223 0.002 . 1 . . . B 3 ALA H . 18671 1 1019 . 2 2 5 5 ALA HA H 1 4.452 0.002 . 1 . . . B 3 ALA HA . 18671 1 1020 . 2 2 5 5 ALA HB1 H 1 1.271 0.002 . 1 . . . B 3 ALA HB1 . 18671 1 1021 . 2 2 5 5 ALA HB2 H 1 1.271 0.002 . 1 . . . B 3 ALA HB2 . 18671 1 1022 . 2 2 5 5 ALA HB3 H 1 1.271 0.002 . 1 . . . B 3 ALA HB3 . 18671 1 1023 . 2 2 5 5 ALA CA C 13 52.21 0.007 . 1 . . . B 3 ALA CA . 18671 1 1024 . 2 2 5 5 ALA CB C 13 19.831 0 . 1 . . . B 3 ALA CB . 18671 1 1025 . 2 2 5 5 ALA N N 15 125.713 0.047 . 1 . . . B 3 ALA N . 18671 1 1026 . 2 2 6 6 SER H H 1 8.761 0.002 . 1 . . . B 4 SER H . 18671 1 1027 . 2 2 6 6 SER HB2 H 1 4.079 0 . 2 . . . B 4 SER HB2 . 18671 1 1028 . 2 2 6 6 SER HB3 H 1 4.408 0.004 . 2 . . . B 4 SER HB3 . 18671 1 1029 . 2 2 6 6 SER CB C 13 65.368 0.009 . 1 . . . B 4 SER CB . 18671 1 1030 . 2 2 6 6 SER N N 15 118.013 0.02 . 1 . . . B 4 SER N . 18671 1 1031 . 2 2 7 7 LYS H H 1 8.893 0.009 . 1 . . . B 5 LYS H . 18671 1 1032 . 2 2 7 7 LYS HA H 1 4.134 0 . 1 . . . B 5 LYS HA . 18671 1 1033 . 2 2 7 7 LYS HB2 H 1 1.938 0 . 2 . . . B 5 LYS HB2 . 18671 1 1034 . 2 2 7 7 LYS HB3 H 1 2.1 0 . 2 . . . B 5 LYS HB3 . 18671 1 1035 . 2 2 7 7 LYS HG2 H 1 1.699 0 . 2 . . . B 5 LYS HG2 . 18671 1 1036 . 2 2 7 7 LYS HG3 H 1 1.81 0 . 2 . . . B 5 LYS HG3 . 18671 1 1037 . 2 2 7 7 LYS HD2 H 1 1.838 0.006 . 2 . . . B 5 LYS HD2 . 18671 1 1038 . 2 2 7 7 LYS HD3 H 1 1.968 0.008 . 2 . . . B 5 LYS HD3 . 18671 1 1039 . 2 2 7 7 LYS HE2 H 1 3.187 0 . 2 . . . B 5 LYS HE2 . 18671 1 1040 . 2 2 7 7 LYS HE3 H 1 3.247 0 . 2 . . . B 5 LYS HE3 . 18671 1 1041 . 2 2 7 7 LYS CA C 13 59.651 0 . 1 . . . B 5 LYS CA . 18671 1 1042 . 2 2 7 7 LYS CB C 13 32.323 0.009 . 1 . . . B 5 LYS CB . 18671 1 1043 . 2 2 7 7 LYS CG C 13 25.387 0.02 . 1 . . . B 5 LYS CG . 18671 1 1044 . 2 2 7 7 LYS CD C 13 29.778 0.118 . 1 . . . B 5 LYS CD . 18671 1 1045 . 2 2 7 7 LYS CE C 13 42.32 0.066 . 1 . . . B 5 LYS CE . 18671 1 1046 . 2 2 7 7 LYS N N 15 120.512 0.021 . 1 . . . B 5 LYS N . 18671 1 1047 . 2 2 8 8 GLU H H 1 8.935 0 . 1 . . . B 6 GLU H . 18671 1 1048 . 2 2 8 8 GLU HA H 1 3.862 0.003 . 1 . . . B 6 GLU HA . 18671 1 1049 . 2 2 8 8 GLU HB2 H 1 2.284 0 . 2 . . . B 6 GLU HB2 . 18671 1 1050 . 2 2 8 8 GLU HB3 H 1 2.036 0.001 . 2 . . . B 6 GLU HB3 . 18671 1 1051 . 2 2 8 8 GLU HG2 H 1 2.489 0 . 2 . . . B 6 GLU HG2 . 18671 1 1052 . 2 2 8 8 GLU HG3 H 1 2.668 0.002 . 2 . . . B 6 GLU HG3 . 18671 1 1053 . 2 2 8 8 GLU CA C 13 61.306 0.046 . 1 . . . B 6 GLU CA . 18671 1 1054 . 2 2 8 8 GLU CB C 13 28.904 0.017 . 1 . . . B 6 GLU CB . 18671 1 1055 . 2 2 8 8 GLU CG C 13 37.571 0.01 . 1 . . . B 6 GLU CG . 18671 1 1056 . 2 2 8 8 GLU N N 15 119.685 0 . 1 . . . B 6 GLU N . 18671 1 1057 . 2 2 9 9 GLU H H 1 7.677 0.005 . 1 . . . B 7 GLU H . 18671 1 1058 . 2 2 9 9 GLU HA H 1 3.678 0.001 . 1 . . . B 7 GLU HA . 18671 1 1059 . 2 2 9 9 GLU HB2 H 1 2.381 0 . 2 . . . B 7 GLU HB2 . 18671 1 1060 . 2 2 9 9 GLU HB3 H 1 1.884 0.004 . 2 . . . B 7 GLU HB3 . 18671 1 1061 . 2 2 9 9 GLU HG2 H 1 2.305 0 . 2 . . . B 7 GLU HG2 . 18671 1 1062 . 2 2 9 9 GLU HG3 H 1 2.115 0 . 2 . . . B 7 GLU HG3 . 18671 1 1063 . 2 2 9 9 GLU CA C 13 59.615 0.026 . 1 . . . B 7 GLU CA . 18671 1 1064 . 2 2 9 9 GLU CB C 13 29.609 0.1 . 1 . . . B 7 GLU CB . 18671 1 1065 . 2 2 9 9 GLU CG C 13 37.619 0 . 1 . . . B 7 GLU CG . 18671 1 1066 . 2 2 9 9 GLU N N 15 119.179 0 . 1 . . . B 7 GLU N . 18671 1 1067 . 2 2 10 10 ILE H H 1 8.162 0.001 . 1 . . . B 8 ILE H . 18671 1 1068 . 2 2 10 10 ILE HA H 1 3.271 0 . 1 . . . B 8 ILE HA . 18671 1 1069 . 2 2 10 10 ILE HB H 1 1.746 0.008 . 1 . . . B 8 ILE HB . 18671 1 1070 . 2 2 10 10 ILE HG12 H 1 1.718 0 . 2 . . . B 8 ILE HG12 . 18671 1 1071 . 2 2 10 10 ILE HG13 H 1 0.629 0.001 . 2 . . . B 8 ILE HG13 . 18671 1 1072 . 2 2 10 10 ILE HG21 H 1 0.254 0 . 1 . . . B 8 ILE HG21 . 18671 1 1073 . 2 2 10 10 ILE HG22 H 1 0.254 0 . 1 . . . B 8 ILE HG22 . 18671 1 1074 . 2 2 10 10 ILE HG23 H 1 0.254 0 . 1 . . . B 8 ILE HG23 . 18671 1 1075 . 2 2 10 10 ILE HD11 H 1 0.617 0 . 1 . . . B 8 ILE HD11 . 18671 1 1076 . 2 2 10 10 ILE HD12 H 1 0.617 0 . 1 . . . B 8 ILE HD12 . 18671 1 1077 . 2 2 10 10 ILE HD13 H 1 0.617 0 . 1 . . . B 8 ILE HD13 . 18671 1 1078 . 2 2 10 10 ILE CA C 13 65.744 0 . 1 . . . B 8 ILE CA . 18671 1 1079 . 2 2 10 10 ILE CB C 13 37.353 0 . 1 . . . B 8 ILE CB . 18671 1 1080 . 2 2 10 10 ILE CG1 C 13 29.58 0.033 . 1 . . . B 8 ILE CG1 . 18671 1 1081 . 2 2 10 10 ILE CG2 C 13 17.733 0.001 . 1 . . . B 8 ILE CG2 . 18671 1 1082 . 2 2 10 10 ILE CD1 C 13 12.503 0 . 1 . . . B 8 ILE CD1 . 18671 1 1083 . 2 2 10 10 ILE N N 15 121.054 0 . 1 . . . B 8 ILE N . 18671 1 1084 . 2 2 11 11 ALA H H 1 8.171 0.001 . 1 . . . B 9 ALA H . 18671 1 1085 . 2 2 11 11 ALA HA H 1 3.857 0.001 . 1 . . . B 9 ALA HA . 18671 1 1086 . 2 2 11 11 ALA HB1 H 1 1.051 0 . 1 . . . B 9 ALA HB1 . 18671 1 1087 . 2 2 11 11 ALA HB2 H 1 1.051 0 . 1 . . . B 9 ALA HB2 . 18671 1 1088 . 2 2 11 11 ALA HB3 H 1 1.051 0 . 1 . . . B 9 ALA HB3 . 18671 1 1089 . 2 2 11 11 ALA CA C 13 55.722 0 . 1 . . . B 9 ALA CA . 18671 1 1090 . 2 2 11 11 ALA N N 15 120.965 0 . 1 . . . B 9 ALA N . 18671 1 1091 . 2 2 13 13 LEU H H 1 8.166 0 . 1 . . . B 11 LEU H . 18671 1 1092 . 2 2 13 13 LEU HA H 1 3.867 0 . 1 . . . B 11 LEU HA . 18671 1 1093 . 2 2 13 13 LEU HD21 H 1 0.278 0 . 1 . . . B 11 LEU HD21 . 18671 1 1094 . 2 2 13 13 LEU HD22 H 1 0.278 0 . 1 . . . B 11 LEU HD22 . 18671 1 1095 . 2 2 13 13 LEU HD23 H 1 0.278 0 . 1 . . . B 11 LEU HD23 . 18671 1 1096 . 2 2 13 13 LEU CA C 13 58.083 0 . 1 . . . B 11 LEU CA . 18671 1 1097 . 2 2 13 13 LEU CD2 C 13 25.059 0 . 1 . . . B 11 LEU CD2 . 18671 1 1098 . 2 2 14 14 ILE H H 1 8.158 0 . 1 . . . B 12 ILE H . 18671 1 1099 . 2 2 14 14 ILE HA H 1 3.264 0.002 . 1 . . . B 12 ILE HA . 18671 1 1100 . 2 2 14 14 ILE HB H 1 2.167 0 . 1 . . . B 12 ILE HB . 18671 1 1101 . 2 2 14 14 ILE HG12 H 1 1.648 0.004 . 2 . . . B 12 ILE HG12 . 18671 1 1102 . 2 2 14 14 ILE HG13 H 1 0.349 0 . 2 . . . B 12 ILE HG13 . 18671 1 1103 . 2 2 14 14 ILE HG21 H 1 0.757 0 . 1 . . . B 12 ILE HG21 . 18671 1 1104 . 2 2 14 14 ILE HG22 H 1 0.757 0 . 1 . . . B 12 ILE HG22 . 18671 1 1105 . 2 2 14 14 ILE HG23 H 1 0.757 0 . 1 . . . B 12 ILE HG23 . 18671 1 1106 . 2 2 14 14 ILE HD11 H 1 0.517 0.002 . 1 . . . B 12 ILE HD11 . 18671 1 1107 . 2 2 14 14 ILE HD12 H 1 0.517 0.002 . 1 . . . B 12 ILE HD12 . 18671 1 1108 . 2 2 14 14 ILE HD13 H 1 0.517 0.002 . 1 . . . B 12 ILE HD13 . 18671 1 1109 . 2 2 14 14 ILE CA C 13 65.716 0 . 1 . . . B 12 ILE CA . 18671 1 1110 . 2 2 14 14 ILE CB C 13 38.144 0 . 1 . . . B 12 ILE CB . 18671 1 1111 . 2 2 14 14 ILE CG1 C 13 29.558 0 . 1 . . . B 12 ILE CG1 . 18671 1 1112 . 2 2 14 14 ILE CG2 C 13 19.025 0 . 1 . . . B 12 ILE CG2 . 18671 1 1113 . 2 2 14 14 ILE CD1 C 13 15.727 0 . 1 . . . B 12 ILE CD1 . 18671 1 1114 . 2 2 15 15 VAL H H 1 8.678 0 . 1 . . . B 13 VAL H . 18671 1 1115 . 2 2 15 15 VAL HA H 1 3.629 0.002 . 1 . . . B 13 VAL HA . 18671 1 1116 . 2 2 15 15 VAL HB H 1 2.438 0.004 . 1 . . . B 13 VAL HB . 18671 1 1117 . 2 2 15 15 VAL HG11 H 1 1.379 0 . 2 . . . B 13 VAL HG11 . 18671 1 1118 . 2 2 15 15 VAL HG12 H 1 1.379 0 . 2 . . . B 13 VAL HG12 . 18671 1 1119 . 2 2 15 15 VAL HG13 H 1 1.379 0 . 2 . . . B 13 VAL HG13 . 18671 1 1120 . 2 2 15 15 VAL HG21 H 1 1.17 0.001 . 2 . . . B 13 VAL HG21 . 18671 1 1121 . 2 2 15 15 VAL HG22 H 1 1.17 0.001 . 2 . . . B 13 VAL HG22 . 18671 1 1122 . 2 2 15 15 VAL HG23 H 1 1.17 0.001 . 2 . . . B 13 VAL HG23 . 18671 1 1123 . 2 2 15 15 VAL CA C 13 68.453 0.005 . 1 . . . B 13 VAL CA . 18671 1 1124 . 2 2 15 15 VAL CB C 13 31.357 0.051 . 1 . . . B 13 VAL CB . 18671 1 1125 . 2 2 15 15 VAL CG1 C 13 24.666 0 . 2 . . . B 13 VAL CG1 . 18671 1 1126 . 2 2 15 15 VAL CG2 C 13 22.557 0 . 2 . . . B 13 VAL CG2 . 18671 1 1127 . 2 2 15 15 VAL N N 15 120.779 0 . 1 . . . B 13 VAL N . 18671 1 1128 . 2 2 16 16 ASN H H 1 8.742 0.005 . 1 . . . B 14 ASN H . 18671 1 1129 . 2 2 16 16 ASN HA H 1 3.865 0.005 . 1 . . . B 14 ASN HA . 18671 1 1130 . 2 2 16 16 ASN HB2 H 1 2.709 0.004 . 2 . . . B 14 ASN HB2 . 18671 1 1131 . 2 2 16 16 ASN HB3 H 1 2.788 0.005 . 2 . . . B 14 ASN HB3 . 18671 1 1132 . 2 2 16 16 ASN HD21 H 1 6.996 0.003 . 1 . . . B 14 ASN HD21 . 18671 1 1133 . 2 2 16 16 ASN HD22 H 1 7.708 0.006 . 1 . . . B 14 ASN HD22 . 18671 1 1134 . 2 2 16 16 ASN CA C 13 58.105 0.048 . 1 . . . B 14 ASN CA . 18671 1 1135 . 2 2 16 16 ASN CB C 13 39.84 0.004 . 1 . . . B 14 ASN CB . 18671 1 1136 . 2 2 16 16 ASN N N 15 119.409 0 . 1 . . . B 14 ASN N . 18671 1 1137 . 2 2 16 16 ASN ND2 N 15 113.285 0.007 . 1 . . . B 14 ASN ND2 . 18671 1 1138 . 2 2 17 17 TYR H H 1 8.132 0.002 . 1 . . . B 15 TYR H . 18671 1 1139 . 2 2 17 17 TYR HA H 1 4.306 0.005 . 1 . . . B 15 TYR HA . 18671 1 1140 . 2 2 17 17 TYR HB2 H 1 3.122 0 . 2 . . . B 15 TYR HB2 . 18671 1 1141 . 2 2 17 17 TYR HB3 H 1 2.951 0.006 . 2 . . . B 15 TYR HB3 . 18671 1 1142 . 2 2 17 17 TYR HD1 H 1 6.677 0.005 . 3 . . . B 15 TYR HD1 . 18671 1 1143 . 2 2 17 17 TYR HD2 H 1 6.677 0.005 . 3 . . . B 15 TYR HD2 . 18671 1 1144 . 2 2 17 17 TYR CA C 13 61.19 0.042 . 1 . . . B 15 TYR CA . 18671 1 1145 . 2 2 17 17 TYR CB C 13 38.195 0 . 1 . . . B 15 TYR CB . 18671 1 1146 . 2 2 17 17 TYR CD1 C 13 133.07 0 . 3 . . . B 15 TYR CD1 . 18671 1 1147 . 2 2 17 17 TYR CD2 C 13 133.07 0 . 3 . . . B 15 TYR CD2 . 18671 1 1148 . 2 2 17 17 TYR N N 15 121.932 0 . 1 . . . B 15 TYR N . 18671 1 1149 . 2 2 18 18 PHE H H 1 8.45 0.004 . 1 . . . B 16 PHE H . 18671 1 1150 . 2 2 18 18 PHE HB2 H 1 3.189 0.014 . 2 . . . B 16 PHE HB2 . 18671 1 1151 . 2 2 18 18 PHE HB3 H 1 3.563 0.014 . 2 . . . B 16 PHE HB3 . 18671 1 1152 . 2 2 18 18 PHE HD1 H 1 7.194 0 . 3 . . . B 16 PHE HD1 . 18671 1 1153 . 2 2 18 18 PHE HD2 H 1 7.194 0 . 3 . . . B 16 PHE HD2 . 18671 1 1154 . 2 2 18 18 PHE HE1 H 1 7.305 0 . 3 . . . B 16 PHE HE1 . 18671 1 1155 . 2 2 18 18 PHE HE2 H 1 7.305 0 . 3 . . . B 16 PHE HE2 . 18671 1 1156 . 2 2 18 18 PHE HZ H 1 7.182 0 . 1 . . . B 16 PHE HZ . 18671 1 1157 . 2 2 18 18 PHE CB C 13 37.486 0.064 . 1 . . . B 16 PHE CB . 18671 1 1158 . 2 2 18 18 PHE CE1 C 13 130.621 0 . 3 . . . B 16 PHE CE1 . 18671 1 1159 . 2 2 18 18 PHE CE2 C 13 130.621 0 . 3 . . . B 16 PHE CE2 . 18671 1 1160 . 2 2 18 18 PHE CZ C 13 130.59 0 . 1 . . . B 16 PHE CZ . 18671 1 1161 . 2 2 18 18 PHE N N 15 118.686 0 . 1 . . . B 16 PHE N . 18671 1 1162 . 2 2 19 19 SER H H 1 9.053 0.009 . 1 . . . B 17 SER H . 18671 1 1163 . 2 2 19 19 SER HA H 1 4.043 0 . 1 . . . B 17 SER HA . 18671 1 1164 . 2 2 19 19 SER HB2 H 1 4.075 0 . 2 . . . B 17 SER HB2 . 18671 1 1165 . 2 2 19 19 SER HB3 H 1 4.184 0 . 2 . . . B 17 SER HB3 . 18671 1 1166 . 2 2 19 19 SER CA C 13 62.681 0 . 1 . . . B 17 SER CA . 18671 1 1167 . 2 2 19 19 SER CB C 13 62.884 0.017 . 1 . . . B 17 SER CB . 18671 1 1168 . 2 2 19 19 SER N N 15 116.625 0 . 1 . . . B 17 SER N . 18671 1 1169 . 2 2 20 20 SER H H 1 7.872 0 . 1 . . . B 18 SER H . 18671 1 1170 . 2 2 20 20 SER HA H 1 4.288 0 . 1 . . . B 18 SER HA . 18671 1 1171 . 2 2 20 20 SER HB3 H 1 4.029 0 . 1 . . . B 18 SER HB3 . 18671 1 1172 . 2 2 20 20 SER CA C 13 61.669 0 . 1 . . . B 18 SER CA . 18671 1 1173 . 2 2 20 20 SER CB C 13 63.005 0 . 1 . . . B 18 SER CB . 18671 1 1174 . 2 2 20 20 SER N N 15 117.637 0 . 1 . . . B 18 SER N . 18671 1 1175 . 2 2 21 21 ILE H H 1 7.293 0.006 . 1 . . . B 19 ILE H . 18671 1 1176 . 2 2 21 21 ILE HA H 1 3.757 0.004 . 1 . . . B 19 ILE HA . 18671 1 1177 . 2 2 21 21 ILE HB H 1 2.071 0 . 1 . . . B 19 ILE HB . 18671 1 1178 . 2 2 21 21 ILE HG12 H 1 1.413 0.005 . 2 . . . B 19 ILE HG12 . 18671 1 1179 . 2 2 21 21 ILE HG13 H 1 1.153 0.002 . 2 . . . B 19 ILE HG13 . 18671 1 1180 . 2 2 21 21 ILE HG21 H 1 0.762 0 . 1 . . . B 19 ILE HG21 . 18671 1 1181 . 2 2 21 21 ILE HG22 H 1 0.762 0 . 1 . . . B 19 ILE HG22 . 18671 1 1182 . 2 2 21 21 ILE HG23 H 1 0.762 0 . 1 . . . B 19 ILE HG23 . 18671 1 1183 . 2 2 21 21 ILE HD11 H 1 0.759 0.001 . 1 . . . B 19 ILE HD11 . 18671 1 1184 . 2 2 21 21 ILE HD12 H 1 0.759 0.001 . 1 . . . B 19 ILE HD12 . 18671 1 1185 . 2 2 21 21 ILE HD13 H 1 0.759 0.001 . 1 . . . B 19 ILE HD13 . 18671 1 1186 . 2 2 21 21 ILE CA C 13 64.25 0.028 . 1 . . . B 19 ILE CA . 18671 1 1187 . 2 2 21 21 ILE CB C 13 37.615 0 . 1 . . . B 19 ILE CB . 18671 1 1188 . 2 2 21 21 ILE CG1 C 13 28.359 0.012 . 1 . . . B 19 ILE CG1 . 18671 1 1189 . 2 2 21 21 ILE CG2 C 13 17.704 0 . 1 . . . B 19 ILE CG2 . 18671 1 1190 . 2 2 21 21 ILE CD1 C 13 12.578 0.026 . 1 . . . B 19 ILE CD1 . 18671 1 1191 . 2 2 21 21 ILE N N 15 121.901 0.026 . 1 . . . B 19 ILE N . 18671 1 1192 . 2 2 22 22 VAL H H 1 7.733 0.003 . 1 . . . B 20 VAL H . 18671 1 1193 . 2 2 22 22 VAL HA H 1 3.586 0.001 . 1 . . . B 20 VAL HA . 18671 1 1194 . 2 2 22 22 VAL HB H 1 2.213 0.002 . 1 . . . B 20 VAL HB . 18671 1 1195 . 2 2 22 22 VAL HG11 H 1 0.997 0 . 2 . . . B 20 VAL HG11 . 18671 1 1196 . 2 2 22 22 VAL HG12 H 1 0.997 0 . 2 . . . B 20 VAL HG12 . 18671 1 1197 . 2 2 22 22 VAL HG13 H 1 0.997 0 . 2 . . . B 20 VAL HG13 . 18671 1 1198 . 2 2 22 22 VAL HG21 H 1 0.978 0 . 2 . . . B 20 VAL HG21 . 18671 1 1199 . 2 2 22 22 VAL HG22 H 1 0.978 0 . 2 . . . B 20 VAL HG22 . 18671 1 1200 . 2 2 22 22 VAL HG23 H 1 0.978 0 . 2 . . . B 20 VAL HG23 . 18671 1 1201 . 2 2 22 22 VAL CA C 13 66.815 0.002 . 1 . . . B 20 VAL CA . 18671 1 1202 . 2 2 22 22 VAL CB C 13 32.002 0 . 1 . . . B 20 VAL CB . 18671 1 1203 . 2 2 22 22 VAL CG1 C 13 23.446 0 . 2 . . . B 20 VAL CG1 . 18671 1 1204 . 2 2 22 22 VAL CG2 C 13 21.725 0 . 2 . . . B 20 VAL CG2 . 18671 1 1205 . 2 2 22 22 VAL N N 15 118.189 0.006 . 1 . . . B 20 VAL N . 18671 1 1206 . 2 2 23 23 GLU H H 1 8.706 0.002 . 1 . . . B 21 GLU H . 18671 1 1207 . 2 2 23 23 GLU HA H 1 4.03 0 . 1 . . . B 21 GLU HA . 18671 1 1208 . 2 2 23 23 GLU HB2 H 1 2.124 0 . 2 . . . B 21 GLU HB2 . 18671 1 1209 . 2 2 23 23 GLU HB3 H 1 2.172 0 . 2 . . . B 21 GLU HB3 . 18671 1 1210 . 2 2 23 23 GLU HG2 H 1 2.309 0 . 2 . . . B 21 GLU HG2 . 18671 1 1211 . 2 2 23 23 GLU HG3 H 1 2.384 0 . 2 . . . B 21 GLU HG3 . 18671 1 1212 . 2 2 23 23 GLU CA C 13 59.514 0 . 1 . . . B 21 GLU CA . 18671 1 1213 . 2 2 23 23 GLU CB C 13 29.8 0.014 . 1 . . . B 21 GLU CB . 18671 1 1214 . 2 2 23 23 GLU CG C 13 36.273 0.031 . 1 . . . B 21 GLU CG . 18671 1 1215 . 2 2 23 23 GLU N N 15 122.316 0 . 1 . . . B 21 GLU N . 18671 1 1216 . 2 2 24 24 LYS H H 1 7.856 0.005 . 1 . . . B 22 LYS H . 18671 1 1217 . 2 2 24 24 LYS HA H 1 4.208 0.005 . 1 . . . B 22 LYS HA . 18671 1 1218 . 2 2 24 24 LYS HB2 H 1 1.777 0 . 2 . . . B 22 LYS HB2 . 18671 1 1219 . 2 2 24 24 LYS HB3 H 1 2.06 0 . 2 . . . B 22 LYS HB3 . 18671 1 1220 . 2 2 24 24 LYS HG2 H 1 1.697 0.004 . 2 . . . B 22 LYS HG2 . 18671 1 1221 . 2 2 24 24 LYS HG3 H 1 1.456 0.003 . 2 . . . B 22 LYS HG3 . 18671 1 1222 . 2 2 24 24 LYS HD3 H 1 1.643 0 . 1 . . . B 22 LYS HD3 . 18671 1 1223 . 2 2 24 24 LYS HE3 H 1 2.942 0.002 . 1 . . . B 22 LYS HE3 . 18671 1 1224 . 2 2 24 24 LYS CA C 13 56.695 0.005 . 1 . . . B 22 LYS CA . 18671 1 1225 . 2 2 24 24 LYS CB C 13 32.622 0.001 . 1 . . . B 22 LYS CB . 18671 1 1226 . 2 2 24 24 LYS CG C 13 25.991 0.029 . 1 . . . B 22 LYS CG . 18671 1 1227 . 2 2 24 24 LYS CD C 13 29.122 0 . 1 . . . B 22 LYS CD . 18671 1 1228 . 2 2 24 24 LYS CE C 13 42.16 0 . 1 . . . B 22 LYS CE . 18671 1 1229 . 2 2 24 24 LYS N N 15 115.562 0 . 1 . . . B 22 LYS N . 18671 1 1230 . 2 2 25 25 LYS H H 1 7.936 0.002 . 1 . . . B 23 LYS H . 18671 1 1231 . 2 2 25 25 LYS HA H 1 3.95 0.003 . 1 . . . B 23 LYS HA . 18671 1 1232 . 2 2 25 25 LYS HB2 H 1 2.09 0.004 . 2 . . . B 23 LYS HB2 . 18671 1 1233 . 2 2 25 25 LYS HB3 H 1 2.017 0.002 . 2 . . . B 23 LYS HB3 . 18671 1 1234 . 2 2 25 25 LYS HG3 H 1 1.422 0.003 . 1 . . . B 23 LYS HG3 . 18671 1 1235 . 2 2 25 25 LYS HD2 H 1 1.726 0.013 . 1 . . . B 23 LYS HD2 . 18671 1 1236 . 2 2 25 25 LYS HD3 H 1 1.726 0.013 . 1 . . . B 23 LYS HD3 . 18671 1 1237 . 2 2 25 25 LYS HE3 H 1 3.063 0 . 1 . . . B 23 LYS HE3 . 18671 1 1238 . 2 2 25 25 LYS CA C 13 57.412 0.001 . 1 . . . B 23 LYS CA . 18671 1 1239 . 2 2 25 25 LYS CB C 13 28.868 0.101 . 1 . . . B 23 LYS CB . 18671 1 1240 . 2 2 25 25 LYS CG C 13 24.929 0 . 1 . . . B 23 LYS CG . 18671 1 1241 . 2 2 25 25 LYS CD C 13 29.217 0.004 . 1 . . . B 23 LYS CD . 18671 1 1242 . 2 2 25 25 LYS CE C 13 42.457 0 . 1 . . . B 23 LYS CE . 18671 1 1243 . 2 2 25 25 LYS N N 15 115.414 0 . 1 . . . B 23 LYS N . 18671 1 1244 . 2 2 26 26 GLU H H 1 8.083 0.004 . 1 . . . B 24 GLU H . 18671 1 1245 . 2 2 26 26 GLU HA H 1 4.334 0 . 1 . . . B 24 GLU HA . 18671 1 1246 . 2 2 26 26 GLU HB2 H 1 1.864 0.003 . 2 . . . B 24 GLU HB2 . 18671 1 1247 . 2 2 26 26 GLU HB3 H 1 2.28 0 . 2 . . . B 24 GLU HB3 . 18671 1 1248 . 2 2 26 26 GLU HG2 H 1 2.239 0.019 . 1 . . . B 24 GLU HG2 . 18671 1 1249 . 2 2 26 26 GLU HG3 H 1 2.239 0.019 . 1 . . . B 24 GLU HG3 . 18671 1 1250 . 2 2 26 26 GLU CA C 13 56.514 0 . 1 . . . B 24 GLU CA . 18671 1 1251 . 2 2 26 26 GLU CB C 13 30.069 0.098 . 1 . . . B 24 GLU CB . 18671 1 1252 . 2 2 26 26 GLU CG C 13 37.244 0.006 . 1 . . . B 24 GLU CG . 18671 1 1253 . 2 2 26 26 GLU N N 15 117.326 0 . 1 . . . B 24 GLU N . 18671 1 1254 . 2 2 27 27 ILE H H 1 7.263 0.005 . 1 . . . B 25 ILE H . 18671 1 1255 . 2 2 27 27 ILE HA H 1 4.485 0.005 . 1 . . . B 25 ILE HA . 18671 1 1256 . 2 2 27 27 ILE HB H 1 1.588 0 . 1 . . . B 25 ILE HB . 18671 1 1257 . 2 2 27 27 ILE HG12 H 1 1.468 0.002 . 2 . . . B 25 ILE HG12 . 18671 1 1258 . 2 2 27 27 ILE HG13 H 1 1.024 0.002 . 2 . . . B 25 ILE HG13 . 18671 1 1259 . 2 2 27 27 ILE HG21 H 1 0.601 0 . 1 . . . B 25 ILE HG21 . 18671 1 1260 . 2 2 27 27 ILE HG22 H 1 0.601 0 . 1 . . . B 25 ILE HG22 . 18671 1 1261 . 2 2 27 27 ILE HG23 H 1 0.601 0 . 1 . . . B 25 ILE HG23 . 18671 1 1262 . 2 2 27 27 ILE HD11 H 1 0.263 0.004 . 1 . . . B 25 ILE HD11 . 18671 1 1263 . 2 2 27 27 ILE HD12 H 1 0.263 0.004 . 1 . . . B 25 ILE HD12 . 18671 1 1264 . 2 2 27 27 ILE HD13 H 1 0.263 0.004 . 1 . . . B 25 ILE HD13 . 18671 1 1265 . 2 2 27 27 ILE CA C 13 58.696 0.009 . 1 . . . B 25 ILE CA . 18671 1 1266 . 2 2 27 27 ILE CB C 13 41.535 0 . 1 . . . B 25 ILE CB . 18671 1 1267 . 2 2 27 27 ILE CG1 C 13 27.159 0.042 . 1 . . . B 25 ILE CG1 . 18671 1 1268 . 2 2 27 27 ILE CG2 C 13 16.085 0 . 1 . . . B 25 ILE CG2 . 18671 1 1269 . 2 2 27 27 ILE CD1 C 13 14.494 0 . 1 . . . B 25 ILE CD1 . 18671 1 1270 . 2 2 27 27 ILE N N 15 114.475 0 . 1 . . . B 25 ILE N . 18671 1 1271 . 2 2 28 28 SER H H 1 8.068 0.005 . 1 . . . B 26 SER H . 18671 1 1272 . 2 2 28 28 SER HA H 1 4.359 0 . 1 . . . B 26 SER HA . 18671 1 1273 . 2 2 28 28 SER HB2 H 1 4.092 0.007 . 2 . . . B 26 SER HB2 . 18671 1 1274 . 2 2 28 28 SER HB3 H 1 4.351 0 . 2 . . . B 26 SER HB3 . 18671 1 1275 . 2 2 28 28 SER CA C 13 58.155 0 . 1 . . . B 26 SER CA . 18671 1 1276 . 2 2 28 28 SER CB C 13 64.734 0.041 . 1 . . . B 26 SER CB . 18671 1 1277 . 2 2 28 28 SER N N 15 119.348 0.025 . 1 . . . B 26 SER N . 18671 1 1278 . 2 2 29 29 GLU H H 1 8.844 0.005 . 1 . . . B 27 GLU H . 18671 1 1279 . 2 2 29 29 GLU HA H 1 3.996 0.002 . 1 . . . B 27 GLU HA . 18671 1 1280 . 2 2 29 29 GLU HB3 H 1 2.075 0.001 . 1 . . . B 27 GLU HB3 . 18671 1 1281 . 2 2 29 29 GLU HG3 H 1 2.38 0 . 1 . . . B 27 GLU HG3 . 18671 1 1282 . 2 2 29 29 GLU CA C 13 60.244 0.027 . 1 . . . B 27 GLU CA . 18671 1 1283 . 2 2 29 29 GLU CB C 13 29.237 0 . 1 . . . B 27 GLU CB . 18671 1 1284 . 2 2 29 29 GLU CG C 13 36.769 0 . 1 . . . B 27 GLU CG . 18671 1 1285 . 2 2 29 29 GLU N N 15 121.044 0 . 1 . . . B 27 GLU N . 18671 1 1286 . 2 2 30 30 ASP H H 1 8.363 0.007 . 1 . . . B 28 ASP H . 18671 1 1287 . 2 2 30 30 ASP HA H 1 4.492 0 . 1 . . . B 28 ASP HA . 18671 1 1288 . 2 2 30 30 ASP HB2 H 1 2.537 0 . 2 . . . B 28 ASP HB2 . 18671 1 1289 . 2 2 30 30 ASP HB3 H 1 2.737 0 . 2 . . . B 28 ASP HB3 . 18671 1 1290 . 2 2 30 30 ASP CA C 13 57.26 0 . 1 . . . B 28 ASP CA . 18671 1 1291 . 2 2 30 30 ASP CB C 13 40.188 0.001 . 1 . . . B 28 ASP CB . 18671 1 1292 . 2 2 30 30 ASP N N 15 118.438 0.084 . 1 . . . B 28 ASP N . 18671 1 1293 . 2 2 31 31 GLY H H 1 8.092 0.005 . 1 . . . B 29 GLY H . 18671 1 1294 . 2 2 31 31 GLY HA2 H 1 3.552 0.003 . 2 . . . B 29 GLY HA2 . 18671 1 1295 . 2 2 31 31 GLY HA3 H 1 3.634 0.006 . 2 . . . B 29 GLY HA3 . 18671 1 1296 . 2 2 31 31 GLY CA C 13 47.496 0.028 . 1 . . . B 29 GLY CA . 18671 1 1297 . 2 2 31 31 GLY N N 15 110.056 0 . 1 . . . B 29 GLY N . 18671 1 1298 . 2 2 32 32 ALA H H 1 8.744 0.003 . 1 . . . B 30 ALA H . 18671 1 1299 . 2 2 32 32 ALA HA H 1 3.749 0 . 1 . . . B 30 ALA HA . 18671 1 1300 . 2 2 32 32 ALA HB1 H 1 1.48 0 . 1 . . . B 30 ALA HB1 . 18671 1 1301 . 2 2 32 32 ALA HB2 H 1 1.48 0 . 1 . . . B 30 ALA HB2 . 18671 1 1302 . 2 2 32 32 ALA HB3 H 1 1.48 0 . 1 . . . B 30 ALA HB3 . 18671 1 1303 . 2 2 32 32 ALA CA C 13 55.331 0.002 . 1 . . . B 30 ALA CA . 18671 1 1304 . 2 2 32 32 ALA N N 15 125.074 0.013 . 1 . . . B 30 ALA N . 18671 1 1305 . 2 2 33 33 ASP H H 1 7.958 0.002 . 1 . . . B 31 ASP H . 18671 1 1306 . 2 2 33 33 ASP HA H 1 4.504 0 . 1 . . . B 31 ASP HA . 18671 1 1307 . 2 2 33 33 ASP HB2 H 1 3.079 0 . 2 . . . B 31 ASP HB2 . 18671 1 1308 . 2 2 33 33 ASP HB3 H 1 2.613 0 . 2 . . . B 31 ASP HB3 . 18671 1 1309 . 2 2 33 33 ASP N N 15 119.598 0.029 . 1 . . . B 31 ASP N . 18671 1 1310 . 2 2 34 34 SER H H 1 7.634 0 . 1 . . . B 32 SER H . 18671 1 1311 . 2 2 35 35 LEU H H 1 8.58 0.012 . 1 . . . B 33 LEU H . 18671 1 1312 . 2 2 35 35 LEU HA H 1 3.806 0.007 . 1 . . . B 33 LEU HA . 18671 1 1313 . 2 2 35 35 LEU HB2 H 1 1.052 0.012 . 2 . . . B 33 LEU HB2 . 18671 1 1314 . 2 2 35 35 LEU HB3 H 1 1.583 0.009 . 2 . . . B 33 LEU HB3 . 18671 1 1315 . 2 2 35 35 LEU HG H 1 1.456 0.012 . 1 . . . B 33 LEU HG . 18671 1 1316 . 2 2 35 35 LEU HD11 H 1 0.393 0.003 . 2 . . . B 33 LEU HD11 . 18671 1 1317 . 2 2 35 35 LEU HD12 H 1 0.393 0.003 . 2 . . . B 33 LEU HD12 . 18671 1 1318 . 2 2 35 35 LEU HD13 H 1 0.393 0.003 . 2 . . . B 33 LEU HD13 . 18671 1 1319 . 2 2 35 35 LEU HD21 H 1 0.153 0.002 . 2 . . . B 33 LEU HD21 . 18671 1 1320 . 2 2 35 35 LEU HD22 H 1 0.153 0.002 . 2 . . . B 33 LEU HD22 . 18671 1 1321 . 2 2 35 35 LEU HD23 H 1 0.153 0.002 . 2 . . . B 33 LEU HD23 . 18671 1 1322 . 2 2 35 35 LEU CA C 13 56.876 0.018 . 1 . . . B 33 LEU CA . 18671 1 1323 . 2 2 35 35 LEU CB C 13 41.225 0.01 . 1 . . . B 33 LEU CB . 18671 1 1324 . 2 2 35 35 LEU CG C 13 26.044 0.06 . 1 . . . B 33 LEU CG . 18671 1 1325 . 2 2 35 35 LEU CD1 C 13 24.964 0 . 2 . . . B 33 LEU CD1 . 18671 1 1326 . 2 2 35 35 LEU CD2 C 13 22.388 0.017 . 2 . . . B 33 LEU CD2 . 18671 1 1327 . 2 2 35 35 LEU N N 15 120.737 0 . 1 . . . B 33 LEU N . 18671 1 1328 . 2 2 36 36 ASN H H 1 8.642 0.007 . 1 . . . B 34 ASN H . 18671 1 1329 . 2 2 36 36 ASN HA H 1 4.502 0 . 1 . . . B 34 ASN HA . 18671 1 1330 . 2 2 36 36 ASN HB2 H 1 2.959 0.001 . 2 . . . B 34 ASN HB2 . 18671 1 1331 . 2 2 36 36 ASN HB3 H 1 3.038 0.005 . 2 . . . B 34 ASN HB3 . 18671 1 1332 . 2 2 36 36 ASN HD21 H 1 7.44 0.003 . 1 . . . B 34 ASN HD21 . 18671 1 1333 . 2 2 36 36 ASN HD22 H 1 6.855 0.003 . 1 . . . B 34 ASN HD22 . 18671 1 1334 . 2 2 36 36 ASN CA C 13 57.505 0 . 1 . . . B 34 ASN CA . 18671 1 1335 . 2 2 36 36 ASN CB C 13 38.508 0.027 . 1 . . . B 34 ASN CB . 18671 1 1336 . 2 2 36 36 ASN N N 15 120.654 0 . 1 . . . B 34 ASN N . 18671 1 1337 . 2 2 36 36 ASN ND2 N 15 112.344 0 . 1 . . . B 34 ASN ND2 . 18671 1 1338 . 2 2 37 37 VAL H H 1 7.253 0.006 . 1 . . . B 35 VAL H . 18671 1 1339 . 2 2 37 37 VAL HA H 1 3.873 0.002 . 1 . . . B 35 VAL HA . 18671 1 1340 . 2 2 37 37 VAL HB H 1 2.396 0.004 . 1 . . . B 35 VAL HB . 18671 1 1341 . 2 2 37 37 VAL HG11 H 1 1.053 0.001 . 2 . . . B 35 VAL HG11 . 18671 1 1342 . 2 2 37 37 VAL HG12 H 1 1.053 0.001 . 2 . . . B 35 VAL HG12 . 18671 1 1343 . 2 2 37 37 VAL HG13 H 1 1.053 0.001 . 2 . . . B 35 VAL HG13 . 18671 1 1344 . 2 2 37 37 VAL HG21 H 1 0.912 0.002 . 2 . . . B 35 VAL HG21 . 18671 1 1345 . 2 2 37 37 VAL HG22 H 1 0.912 0.002 . 2 . . . B 35 VAL HG22 . 18671 1 1346 . 2 2 37 37 VAL HG23 H 1 0.912 0.002 . 2 . . . B 35 VAL HG23 . 18671 1 1347 . 2 2 37 37 VAL CA C 13 66.402 0.021 . 1 . . . B 35 VAL CA . 18671 1 1348 . 2 2 37 37 VAL CB C 13 31.235 0 . 1 . . . B 35 VAL CB . 18671 1 1349 . 2 2 37 37 VAL CG1 C 13 22.899 0.042 . 1 . . . B 35 VAL CG1 . 18671 1 1350 . 2 2 37 37 VAL CG2 C 13 22.899 0.042 . 1 . . . B 35 VAL CG2 . 18671 1 1351 . 2 2 37 37 VAL N N 15 119.045 0.008 . 1 . . . B 35 VAL N . 18671 1 1352 . 2 2 38 38 ALA H H 1 8.465 0.006 . 1 . . . B 36 ALA H . 18671 1 1353 . 2 2 38 38 ALA HA H 1 3.802 0.003 . 1 . . . B 36 ALA HA . 18671 1 1354 . 2 2 38 38 ALA HB1 H 1 1.522 0.001 . 1 . . . B 36 ALA HB1 . 18671 1 1355 . 2 2 38 38 ALA HB2 H 1 1.522 0.001 . 1 . . . B 36 ALA HB2 . 18671 1 1356 . 2 2 38 38 ALA HB3 H 1 1.522 0.001 . 1 . . . B 36 ALA HB3 . 18671 1 1357 . 2 2 38 38 ALA CA C 13 56.31 0.002 . 1 . . . B 36 ALA CA . 18671 1 1358 . 2 2 38 38 ALA CB C 13 18.103 0.006 . 1 . . . B 36 ALA CB . 18671 1 1359 . 2 2 39 39 MET H H 1 8.897 0.008 . 1 . . . B 37 MET H . 18671 1 1360 . 2 2 39 39 MET HA H 1 3.984 0.001 . 1 . . . B 37 MET HA . 18671 1 1361 . 2 2 39 39 MET HB2 H 1 2.623 0 . 2 . . . B 37 MET HB2 . 18671 1 1362 . 2 2 39 39 MET HB3 H 1 1.986 0 . 2 . . . B 37 MET HB3 . 18671 1 1363 . 2 2 39 39 MET HG2 H 1 2.59 0 . 2 . . . B 37 MET HG2 . 18671 1 1364 . 2 2 39 39 MET HG3 H 1 3.114 0.004 . 2 . . . B 37 MET HG3 . 18671 1 1365 . 2 2 39 39 MET HE1 H 1 2.052 0 . 1 . . . B 37 MET HE1 . 18671 1 1366 . 2 2 39 39 MET HE2 H 1 2.052 0 . 1 . . . B 37 MET HE2 . 18671 1 1367 . 2 2 39 39 MET HE3 H 1 2.052 0 . 1 . . . B 37 MET HE3 . 18671 1 1368 . 2 2 39 39 MET CA C 13 61.394 0.053 . 1 . . . B 37 MET CA . 18671 1 1369 . 2 2 39 39 MET CB C 13 35.491 0 . 1 . . . B 37 MET CB . 18671 1 1370 . 2 2 39 39 MET CG C 13 34.244 0.069 . 1 . . . B 37 MET CG . 18671 1 1371 . 2 2 39 39 MET N N 15 115.403 0 . 1 . . . B 37 MET N . 18671 1 1372 . 2 2 40 40 ASP H H 1 7.945 0.005 . 1 . . . B 38 ASP H . 18671 1 1373 . 2 2 40 40 ASP HA H 1 4.515 0.013 . 1 . . . B 38 ASP HA . 18671 1 1374 . 2 2 40 40 ASP HB2 H 1 2.98 0 . 2 . . . B 38 ASP HB2 . 18671 1 1375 . 2 2 40 40 ASP HB3 H 1 2.619 0 . 2 . . . B 38 ASP HB3 . 18671 1 1376 . 2 2 40 40 ASP CA C 13 57.56 0 . 1 . . . B 38 ASP CA . 18671 1 1377 . 2 2 40 40 ASP CB C 13 40.19 0 . 1 . . . B 38 ASP CB . 18671 1 1378 . 2 2 40 40 ASP N N 15 122.779 0.011 . 1 . . . B 38 ASP N . 18671 1 1379 . 2 2 41 41 CYS H H 1 8.478 0.001 . 1 . . . B 39 CYS H . 18671 1 1380 . 2 2 41 41 CYS HA H 1 4.06 0 . 1 . . . B 39 CYS HA . 18671 1 1381 . 2 2 41 41 CYS HB2 H 1 3.006 0.018 . 1 . . . B 39 CYS HB2 . 18671 1 1382 . 2 2 41 41 CYS HB3 H 1 3.006 0.018 . 1 . . . B 39 CYS HB3 . 18671 1 1383 . 2 2 41 41 CYS CA C 13 62.987 0 . 1 . . . B 39 CYS CA . 18671 1 1384 . 2 2 41 41 CYS CB C 13 28.031 0 . 1 . . . B 39 CYS CB . 18671 1 1385 . 2 2 41 41 CYS N N 15 119.516 0 . 1 . . . B 39 CYS N . 18671 1 1386 . 2 2 42 42 ILE H H 1 8.75 0.005 . 1 . . . B 40 ILE H . 18671 1 1387 . 2 2 42 42 ILE HA H 1 3.281 0 . 1 . . . B 40 ILE HA . 18671 1 1388 . 2 2 42 42 ILE HB H 1 1.743 0 . 1 . . . B 40 ILE HB . 18671 1 1389 . 2 2 42 42 ILE HG12 H 1 0.688 0 . 2 . . . B 40 ILE HG12 . 18671 1 1390 . 2 2 42 42 ILE HG13 H 1 1.9 0 . 2 . . . B 40 ILE HG13 . 18671 1 1391 . 2 2 42 42 ILE HG21 H 1 1.112 0 . 1 . . . B 40 ILE HG21 . 18671 1 1392 . 2 2 42 42 ILE HG22 H 1 1.112 0 . 1 . . . B 40 ILE HG22 . 18671 1 1393 . 2 2 42 42 ILE HG23 H 1 1.112 0 . 1 . . . B 40 ILE HG23 . 18671 1 1394 . 2 2 42 42 ILE HD11 H 1 1.161 0 . 1 . . . B 40 ILE HD11 . 18671 1 1395 . 2 2 42 42 ILE HD12 H 1 1.161 0 . 1 . . . B 40 ILE HD12 . 18671 1 1396 . 2 2 42 42 ILE HD13 H 1 1.161 0 . 1 . . . B 40 ILE HD13 . 18671 1 1397 . 2 2 42 42 ILE CA C 13 65.948 0 . 1 . . . B 40 ILE CA . 18671 1 1398 . 2 2 42 42 ILE CB C 13 39.294 0 . 1 . . . B 40 ILE CB . 18671 1 1399 . 2 2 42 42 ILE CG1 C 13 29.183 0.056 . 1 . . . B 40 ILE CG1 . 18671 1 1400 . 2 2 42 42 ILE CG2 C 13 18.977 0 . 1 . . . B 40 ILE CG2 . 18671 1 1401 . 2 2 42 42 ILE CD1 C 13 15.026 0 . 1 . . . B 40 ILE CD1 . 18671 1 1402 . 2 2 42 42 ILE N N 15 120.19 0 . 1 . . . B 40 ILE N . 18671 1 1403 . 2 2 43 43 SER H H 1 7.567 0.007 . 1 . . . B 41 SER H . 18671 1 1404 . 2 2 43 43 SER HA H 1 3.018 0.004 . 1 . . . B 41 SER HA . 18671 1 1405 . 2 2 43 43 SER HB2 H 1 3.753 0 . 2 . . . B 41 SER HB2 . 18671 1 1406 . 2 2 43 43 SER HB3 H 1 3.911 0 . 2 . . . B 41 SER HB3 . 18671 1 1407 . 2 2 43 43 SER CA C 13 62.142 0.034 . 1 . . . B 41 SER CA . 18671 1 1408 . 2 2 43 43 SER CB C 13 62.447 0.052 . 1 . . . B 41 SER CB . 18671 1 1409 . 2 2 43 43 SER N N 15 114.688 0.023 . 1 . . . B 41 SER N . 18671 1 1410 . 2 2 44 44 GLU H H 1 7.653 0.005 . 1 . . . B 42 GLU H . 18671 1 1411 . 2 2 44 44 GLU HA H 1 3.968 0 . 1 . . . B 42 GLU HA . 18671 1 1412 . 2 2 44 44 GLU HB3 H 1 2.087 0 . 1 . . . B 42 GLU HB3 . 18671 1 1413 . 2 2 44 44 GLU HG3 H 1 2.302 0 . 1 . . . B 42 GLU HG3 . 18671 1 1414 . 2 2 44 44 GLU CA C 13 58.828 0 . 1 . . . B 42 GLU CA . 18671 1 1415 . 2 2 44 44 GLU CB C 13 29.277 0 . 1 . . . B 42 GLU CB . 18671 1 1416 . 2 2 44 44 GLU CG C 13 35.993 0 . 1 . . . B 42 GLU CG . 18671 1 1417 . 2 2 44 44 GLU N N 15 120.225 0.054 . 1 . . . B 42 GLU N . 18671 1 1418 . 2 2 45 45 ALA H H 1 8.102 0.005 . 1 . . . B 43 ALA H . 18671 1 1419 . 2 2 45 45 ALA HA H 1 3.845 0.002 . 1 . . . B 43 ALA HA . 18671 1 1420 . 2 2 45 45 ALA HB1 H 1 1.062 0 . 1 . . . B 43 ALA HB1 . 18671 1 1421 . 2 2 45 45 ALA HB2 H 1 1.062 0 . 1 . . . B 43 ALA HB2 . 18671 1 1422 . 2 2 45 45 ALA HB3 H 1 1.062 0 . 1 . . . B 43 ALA HB3 . 18671 1 1423 . 2 2 45 45 ALA CA C 13 54.873 0.009 . 1 . . . B 43 ALA CA . 18671 1 1424 . 2 2 45 45 ALA N N 15 120.772 0 . 1 . . . B 43 ALA N . 18671 1 1425 . 2 2 46 46 PHE H H 1 7.421 0.006 . 1 . . . B 44 PHE H . 18671 1 1426 . 2 2 46 46 PHE HB2 H 1 2.67 0.002 . 2 . . . B 44 PHE HB2 . 18671 1 1427 . 2 2 46 46 PHE HB3 H 1 3.493 0.005 . 2 . . . B 44 PHE HB3 . 18671 1 1428 . 2 2 46 46 PHE HD1 H 1 7.645 0.006 . 3 . . . B 44 PHE HD1 . 18671 1 1429 . 2 2 46 46 PHE HD2 H 1 7.645 0.006 . 3 . . . B 44 PHE HD2 . 18671 1 1430 . 2 2 46 46 PHE HZ H 1 7.159 0 . 1 . . . B 44 PHE HZ . 18671 1 1431 . 2 2 46 46 PHE CB C 13 40.041 0.012 . 1 . . . B 44 PHE CB . 18671 1 1432 . 2 2 46 46 PHE CD1 C 13 132.961 0 . 3 . . . B 44 PHE CD1 . 18671 1 1433 . 2 2 46 46 PHE CD2 C 13 132.961 0 . 3 . . . B 44 PHE CD2 . 18671 1 1434 . 2 2 46 46 PHE CZ C 13 130.74 0 . 1 . . . B 44 PHE CZ . 18671 1 1435 . 2 2 46 46 PHE N N 15 110.06 0 . 1 . . . B 44 PHE N . 18671 1 1436 . 2 2 47 47 GLY H H 1 7.692 0.015 . 1 . . . B 45 GLY H . 18671 1 1437 . 2 2 47 47 GLY HA2 H 1 3.957 0 . 2 . . . B 45 GLY HA2 . 18671 1 1438 . 2 2 47 47 GLY HA3 H 1 4.087 0 . 2 . . . B 45 GLY HA3 . 18671 1 1439 . 2 2 47 47 GLY CA C 13 47.198 0.039 . 1 . . . B 45 GLY CA . 18671 1 1440 . 2 2 47 47 GLY N N 15 108.81 0 . 1 . . . B 45 GLY N . 18671 1 1441 . 2 2 48 48 PHE H H 1 7.917 0.004 . 1 . . . B 46 PHE H . 18671 1 1442 . 2 2 48 48 PHE HA H 1 5.201 0.004 . 1 . . . B 46 PHE HA . 18671 1 1443 . 2 2 48 48 PHE HB2 H 1 3.032 0.01 . 2 . . . B 46 PHE HB2 . 18671 1 1444 . 2 2 48 48 PHE HB3 H 1 3.143 0.011 . 2 . . . B 46 PHE HB3 . 18671 1 1445 . 2 2 48 48 PHE HD1 H 1 7.096 0.004 . 3 . . . B 46 PHE HD1 . 18671 1 1446 . 2 2 48 48 PHE HD2 H 1 7.096 0.004 . 3 . . . B 46 PHE HD2 . 18671 1 1447 . 2 2 48 48 PHE HE1 H 1 7.148 0 . 3 . . . B 46 PHE HE1 . 18671 1 1448 . 2 2 48 48 PHE HE2 H 1 7.148 0 . 3 . . . B 46 PHE HE2 . 18671 1 1449 . 2 2 48 48 PHE HZ H 1 6.784 0.005 . 1 . . . B 46 PHE HZ . 18671 1 1450 . 2 2 48 48 PHE CA C 13 54.504 0.023 . 1 . . . B 46 PHE CA . 18671 1 1451 . 2 2 48 48 PHE CB C 13 41.48 0.028 . 1 . . . B 46 PHE CB . 18671 1 1452 . 2 2 48 48 PHE CD1 C 13 132.993 0 . 3 . . . B 46 PHE CD1 . 18671 1 1453 . 2 2 48 48 PHE CD2 C 13 132.993 0 . 3 . . . B 46 PHE CD2 . 18671 1 1454 . 2 2 48 48 PHE CE1 C 13 130.863 0 . 3 . . . B 46 PHE CE1 . 18671 1 1455 . 2 2 48 48 PHE CE2 C 13 130.863 0 . 3 . . . B 46 PHE CE2 . 18671 1 1456 . 2 2 48 48 PHE CZ C 13 127.017 0 . 1 . . . B 46 PHE CZ . 18671 1 1457 . 2 2 48 48 PHE N N 15 116.186 0.007 . 1 . . . B 46 PHE N . 18671 1 1458 . 2 2 49 49 GLU H H 1 8.384 0.005 . 1 . . . B 47 GLU H . 18671 1 1459 . 2 2 49 49 GLU HA H 1 4.585 0 . 1 . . . B 47 GLU HA . 18671 1 1460 . 2 2 49 49 GLU HB2 H 1 1.988 0 . 2 . . . B 47 GLU HB2 . 18671 1 1461 . 2 2 49 49 GLU HB3 H 1 2.348 0 . 2 . . . B 47 GLU HB3 . 18671 1 1462 . 2 2 49 49 GLU HG3 H 1 2.379 0 . 1 . . . B 47 GLU HG3 . 18671 1 1463 . 2 2 49 49 GLU CA C 13 55.076 0 . 1 . . . B 47 GLU CA . 18671 1 1464 . 2 2 49 49 GLU CB C 13 30.788 0.03 . 1 . . . B 47 GLU CB . 18671 1 1465 . 2 2 49 49 GLU CG C 13 36.445 0 . 1 . . . B 47 GLU CG . 18671 1 1466 . 2 2 49 49 GLU N N 15 118.642 0 . 1 . . . B 47 GLU N . 18671 1 1467 . 2 2 50 50 ARG H H 1 9.273 0.006 . 1 . . . B 48 ARG H . 18671 1 1468 . 2 2 50 50 ARG HA H 1 4.108 0 . 1 . . . B 48 ARG HA . 18671 1 1469 . 2 2 50 50 ARG HB3 H 1 1.997 0 . 1 . . . B 48 ARG HB3 . 18671 1 1470 . 2 2 50 50 ARG HG2 H 1 1.838 0 . 2 . . . B 48 ARG HG2 . 18671 1 1471 . 2 2 50 50 ARG HG3 H 1 1.695 0 . 2 . . . B 48 ARG HG3 . 18671 1 1472 . 2 2 50 50 ARG HD3 H 1 3.219 0 . 1 . . . B 48 ARG HD3 . 18671 1 1473 . 2 2 50 50 ARG HE H 1 7.41 0 . 1 . . . B 48 ARG HE . 18671 1 1474 . 2 2 50 50 ARG CA C 13 60.051 0 . 1 . . . B 48 ARG CA . 18671 1 1475 . 2 2 50 50 ARG CB C 13 30.352 0 . 1 . . . B 48 ARG CB . 18671 1 1476 . 2 2 50 50 ARG CG C 13 27.373 0.035 . 1 . . . B 48 ARG CG . 18671 1 1477 . 2 2 50 50 ARG CD C 13 44.165 0 . 1 . . . B 48 ARG CD . 18671 1 1478 . 2 2 50 50 ARG N N 15 125.284 0.013 . 1 . . . B 48 ARG N . 18671 1 1479 . 2 2 51 51 GLU H H 1 9.124 0.003 . 1 . . . B 49 GLU H . 18671 1 1480 . 2 2 51 51 GLU HA H 1 4.229 0.003 . 1 . . . B 49 GLU HA . 18671 1 1481 . 2 2 51 51 GLU HB2 H 1 2.12 0.026 . 1 . . . B 49 GLU HB2 . 18671 1 1482 . 2 2 51 51 GLU HB3 H 1 2.12 0.026 . 1 . . . B 49 GLU HB3 . 18671 1 1483 . 2 2 51 51 GLU HG2 H 1 2.345 0 . 2 . . . B 49 GLU HG2 . 18671 1 1484 . 2 2 51 51 GLU HG3 H 1 2.419 0 . 2 . . . B 49 GLU HG3 . 18671 1 1485 . 2 2 51 51 GLU CA C 13 58.664 0.054 . 1 . . . B 49 GLU CA . 18671 1 1486 . 2 2 51 51 GLU CB C 13 28.999 0.02 . 1 . . . B 49 GLU CB . 18671 1 1487 . 2 2 51 51 GLU CG C 13 36.727 0.008 . 1 . . . B 49 GLU CG . 18671 1 1488 . 2 2 51 51 GLU N N 15 116.296 0 . 1 . . . B 49 GLU N . 18671 1 1489 . 2 2 52 52 ALA H H 1 8.134 0.002 . 1 . . . B 50 ALA H . 18671 1 1490 . 2 2 52 52 ALA HA H 1 4.538 0.003 . 1 . . . B 50 ALA HA . 18671 1 1491 . 2 2 52 52 ALA HB1 H 1 1.688 0.002 . 1 . . . B 50 ALA HB1 . 18671 1 1492 . 2 2 52 52 ALA HB2 H 1 1.688 0.002 . 1 . . . B 50 ALA HB2 . 18671 1 1493 . 2 2 52 52 ALA HB3 H 1 1.688 0.002 . 1 . . . B 50 ALA HB3 . 18671 1 1494 . 2 2 52 52 ALA CA C 13 52.53 0.021 . 1 . . . B 50 ALA CA . 18671 1 1495 . 2 2 52 52 ALA CB C 13 19.953 0.018 . 1 . . . B 50 ALA CB . 18671 1 1496 . 2 2 52 52 ALA N N 15 121.495 0 . 1 . . . B 50 ALA N . 18671 1 1497 . 2 2 53 53 VAL H H 1 7.394 0.003 . 1 . . . B 51 VAL H . 18671 1 1498 . 2 2 53 53 VAL HA H 1 3.388 0.004 . 1 . . . B 51 VAL HA . 18671 1 1499 . 2 2 53 53 VAL HB H 1 2.214 0.001 . 1 . . . B 51 VAL HB . 18671 1 1500 . 2 2 53 53 VAL HG11 H 1 0.96 0.001 . 2 . . . B 51 VAL HG11 . 18671 1 1501 . 2 2 53 53 VAL HG12 H 1 0.96 0.001 . 2 . . . B 51 VAL HG12 . 18671 1 1502 . 2 2 53 53 VAL HG13 H 1 0.96 0.001 . 2 . . . B 51 VAL HG13 . 18671 1 1503 . 2 2 53 53 VAL HG21 H 1 1.202 0.009 . 2 . . . B 51 VAL HG21 . 18671 1 1504 . 2 2 53 53 VAL HG22 H 1 1.202 0.009 . 2 . . . B 51 VAL HG22 . 18671 1 1505 . 2 2 53 53 VAL HG23 H 1 1.202 0.009 . 2 . . . B 51 VAL HG23 . 18671 1 1506 . 2 2 53 53 VAL CA C 13 66.942 0.002 . 1 . . . B 51 VAL CA . 18671 1 1507 . 2 2 53 53 VAL CB C 13 32.111 0.013 . 1 . . . B 51 VAL CB . 18671 1 1508 . 2 2 53 53 VAL CG1 C 13 21.914 0 . 2 . . . B 51 VAL CG1 . 18671 1 1509 . 2 2 53 53 VAL CG2 C 13 23.904 0 . 2 . . . B 51 VAL CG2 . 18671 1 1510 . 2 2 53 53 VAL N N 15 117.931 0.001 . 1 . . . B 51 VAL N . 18671 1 1511 . 2 2 54 54 SER H H 1 8.532 0.001 . 1 . . . B 52 SER H . 18671 1 1512 . 2 2 54 54 SER HA H 1 3.925 0 . 1 . . . B 52 SER HA . 18671 1 1513 . 2 2 54 54 SER HB3 H 1 4.121 0 . 1 . . . B 52 SER HB3 . 18671 1 1514 . 2 2 54 54 SER CA C 13 62.251 0 . 1 . . . B 52 SER CA . 18671 1 1515 . 2 2 54 54 SER CB C 13 61.726 0 . 1 . . . B 52 SER CB . 18671 1 1516 . 2 2 54 54 SER N N 15 114.609 0 . 1 . . . B 52 SER N . 18671 1 1517 . 2 2 55 55 GLY H H 1 8.142 0.003 . 1 . . . B 53 GLY H . 18671 1 1518 . 2 2 55 55 GLY HA3 H 1 3.922 0 . 1 . . . B 53 GLY HA3 . 18671 1 1519 . 2 2 55 55 GLY CA C 13 46.479 0 . 1 . . . B 53 GLY CA . 18671 1 1520 . 2 2 55 55 GLY N N 15 111.284 0 . 1 . . . B 53 GLY N . 18671 1 1521 . 2 2 56 56 ILE H H 1 7.794 0.003 . 1 . . . B 54 ILE H . 18671 1 1522 . 2 2 56 56 ILE HA H 1 3.653 0.004 . 1 . . . B 54 ILE HA . 18671 1 1523 . 2 2 56 56 ILE HB H 1 1.589 0 . 1 . . . B 54 ILE HB . 18671 1 1524 . 2 2 56 56 ILE HG12 H 1 1.525 0 . 2 . . . B 54 ILE HG12 . 18671 1 1525 . 2 2 56 56 ILE HG13 H 1 0.905 0 . 2 . . . B 54 ILE HG13 . 18671 1 1526 . 2 2 56 56 ILE HG21 H 1 0.651 0 . 1 . . . B 54 ILE HG21 . 18671 1 1527 . 2 2 56 56 ILE HG22 H 1 0.651 0 . 1 . . . B 54 ILE HG22 . 18671 1 1528 . 2 2 56 56 ILE HG23 H 1 0.651 0 . 1 . . . B 54 ILE HG23 . 18671 1 1529 . 2 2 56 56 ILE HD11 H 1 0.304 0 . 1 . . . B 54 ILE HD11 . 18671 1 1530 . 2 2 56 56 ILE HD12 H 1 0.304 0 . 1 . . . B 54 ILE HD12 . 18671 1 1531 . 2 2 56 56 ILE HD13 H 1 0.304 0 . 1 . . . B 54 ILE HD13 . 18671 1 1532 . 2 2 56 56 ILE CA C 13 64.65 0.032 . 1 . . . B 54 ILE CA . 18671 1 1533 . 2 2 56 56 ILE CB C 13 38.701 0 . 1 . . . B 54 ILE CB . 18671 1 1534 . 2 2 56 56 ILE CG1 C 13 28.444 0.081 . 1 . . . B 54 ILE CG1 . 18671 1 1535 . 2 2 56 56 ILE CG2 C 13 17.204 0 . 1 . . . B 54 ILE CG2 . 18671 1 1536 . 2 2 56 56 ILE CD1 C 13 13.323 0 . 1 . . . B 54 ILE CD1 . 18671 1 1537 . 2 2 56 56 ILE N N 15 122.696 0 . 1 . . . B 54 ILE N . 18671 1 1538 . 2 2 57 57 LEU H H 1 8.172 0.005 . 1 . . . B 55 LEU H . 18671 1 1539 . 2 2 57 57 LEU HA H 1 4.125 0.003 . 1 . . . B 55 LEU HA . 18671 1 1540 . 2 2 57 57 LEU HB2 H 1 1.749 0.011 . 2 . . . B 55 LEU HB2 . 18671 1 1541 . 2 2 57 57 LEU HB3 H 1 1.47 0 . 2 . . . B 55 LEU HB3 . 18671 1 1542 . 2 2 57 57 LEU HG H 1 1.678 0.008 . 1 . . . B 55 LEU HG . 18671 1 1543 . 2 2 57 57 LEU HD11 H 1 0.81 0.004 . 2 . . . B 55 LEU HD11 . 18671 1 1544 . 2 2 57 57 LEU HD12 H 1 0.81 0.004 . 2 . . . B 55 LEU HD12 . 18671 1 1545 . 2 2 57 57 LEU HD13 H 1 0.81 0.004 . 2 . . . B 55 LEU HD13 . 18671 1 1546 . 2 2 57 57 LEU HD21 H 1 0.763 0.003 . 2 . . . B 55 LEU HD21 . 18671 1 1547 . 2 2 57 57 LEU HD22 H 1 0.763 0.003 . 2 . . . B 55 LEU HD22 . 18671 1 1548 . 2 2 57 57 LEU HD23 H 1 0.763 0.003 . 2 . . . B 55 LEU HD23 . 18671 1 1549 . 2 2 57 57 LEU CA C 13 56.531 0.005 . 1 . . . B 55 LEU CA . 18671 1 1550 . 2 2 57 57 LEU CB C 13 41.43 0.051 . 1 . . . B 55 LEU CB . 18671 1 1551 . 2 2 57 57 LEU CG C 13 27.165 0 . 1 . . . B 55 LEU CG . 18671 1 1552 . 2 2 57 57 LEU CD1 C 13 22.843 0.003 . 2 . . . B 55 LEU CD1 . 18671 1 1553 . 2 2 57 57 LEU CD2 C 13 25.26 0.002 . 2 . . . B 55 LEU CD2 . 18671 1 1554 . 2 2 57 57 LEU N N 15 118.164 0 . 1 . . . B 55 LEU N . 18671 1 1555 . 2 2 58 58 GLY H H 1 8.17 0.014 . 1 . . . B 56 GLY H . 18671 1 1556 . 2 2 58 58 GLY HA2 H 1 3.975 0 . 2 . . . B 56 GLY HA2 . 18671 1 1557 . 2 2 58 58 GLY HA3 H 1 3.899 0 . 2 . . . B 56 GLY HA3 . 18671 1 1558 . 2 2 58 58 GLY CA C 13 46.458 0.023 . 1 . . . B 56 GLY CA . 18671 1 1559 . 2 2 58 58 GLY N N 15 107.258 0.034 . 1 . . . B 56 GLY N . 18671 1 1560 . 2 2 59 59 LYS HB3 H 1 1.954 0 . 1 . . . B 57 LYS HB3 . 18671 1 1561 . 2 2 59 59 LYS HE3 H 1 2.975 0 . 1 . . . B 57 LYS HE3 . 18671 1 1562 . 2 2 59 59 LYS CB C 13 32.839 0 . 1 . . . B 57 LYS CB . 18671 1 1563 . 2 2 62 62 PHE HD1 H 1 7.055 0 . 3 . . . B 60 PHE HD1 . 18671 1 1564 . 2 2 62 62 PHE HD2 H 1 7.055 0 . 3 . . . B 60 PHE HD2 . 18671 1 1565 . 2 2 62 62 PHE HE1 H 1 7.134 0 . 3 . . . B 60 PHE HE1 . 18671 1 1566 . 2 2 62 62 PHE HE2 H 1 7.134 0 . 3 . . . B 60 PHE HE2 . 18671 1 1567 . 2 2 62 62 PHE CD1 C 13 131.483 0 . 3 . . . B 60 PHE CD1 . 18671 1 1568 . 2 2 62 62 PHE CD2 C 13 131.483 0 . 3 . . . B 60 PHE CD2 . 18671 1 1569 . 2 2 62 62 PHE CE1 C 13 131.439 0 . 3 . . . B 60 PHE CE1 . 18671 1 1570 . 2 2 62 62 PHE CE2 C 13 131.439 0 . 3 . . . B 60 PHE CE2 . 18671 1 1571 . 2 2 64 64 GLY H H 1 8.468 0.011 . 1 . . . B 62 GLY H . 18671 1 1572 . 2 2 64 64 GLY HA2 H 1 3.797 0 . 2 . . . B 62 GLY HA2 . 18671 1 1573 . 2 2 64 64 GLY HA3 H 1 3.944 0 . 2 . . . B 62 GLY HA3 . 18671 1 1574 . 2 2 64 64 GLY CA C 13 45.9 0.131 . 1 . . . B 62 GLY CA . 18671 1 1575 . 2 2 66 66 HIS H H 1 8.496 0.007 . 1 . . . B 64 HIS H . 18671 1 1576 . 2 2 66 66 HIS HB2 H 1 3.109 0.003 . 2 . . . B 64 HIS HB2 . 18671 1 1577 . 2 2 66 66 HIS HB3 H 1 3.298 0.002 . 2 . . . B 64 HIS HB3 . 18671 1 1578 . 2 2 66 66 HIS HD2 H 1 7.175 0.002 . 1 . . . B 64 HIS HD2 . 18671 1 1579 . 2 2 66 66 HIS CB C 13 31.143 0.099 . 1 . . . B 64 HIS CB . 18671 1 1580 . 2 2 70 70 ILE H H 1 7.616 0.007 . 1 . . . B 68 ILE H . 18671 1 1581 . 2 2 70 70 ILE HA H 1 3.796 0.005 . 1 . . . B 68 ILE HA . 18671 1 1582 . 2 2 70 70 ILE HB H 1 1.703 0.003 . 1 . . . B 68 ILE HB . 18671 1 1583 . 2 2 70 70 ILE HG12 H 1 1.032 0 . 2 . . . B 68 ILE HG12 . 18671 1 1584 . 2 2 70 70 ILE HG13 H 1 1.519 0 . 2 . . . B 68 ILE HG13 . 18671 1 1585 . 2 2 70 70 ILE HG21 H 1 0.729 0.005 . 1 . . . B 68 ILE HG21 . 18671 1 1586 . 2 2 70 70 ILE HG22 H 1 0.729 0.005 . 1 . . . B 68 ILE HG22 . 18671 1 1587 . 2 2 70 70 ILE HG23 H 1 0.729 0.005 . 1 . . . B 68 ILE HG23 . 18671 1 1588 . 2 2 70 70 ILE HD11 H 1 0.62 0.002 . 1 . . . B 68 ILE HD11 . 18671 1 1589 . 2 2 70 70 ILE HD12 H 1 0.62 0.002 . 1 . . . B 68 ILE HD12 . 18671 1 1590 . 2 2 70 70 ILE HD13 H 1 0.62 0.002 . 1 . . . B 68 ILE HD13 . 18671 1 1591 . 2 2 70 70 ILE CA C 13 63.802 0 . 1 . . . B 68 ILE CA . 18671 1 1592 . 2 2 70 70 ILE CB C 13 38.646 0.033 . 1 . . . B 68 ILE CB . 18671 1 1593 . 2 2 70 70 ILE CG1 C 13 27.967 0.001 . 1 . . . B 68 ILE CG1 . 18671 1 1594 . 2 2 70 70 ILE CG2 C 13 17.463 0 . 1 . . . B 68 ILE CG2 . 18671 1 1595 . 2 2 70 70 ILE CD1 C 13 13.909 0 . 1 . . . B 68 ILE CD1 . 18671 1 1596 . 2 2 73 73 SER H H 1 7.795 0 . 1 . . . B 71 SER H . 18671 1 1597 . 2 2 73 73 SER HA H 1 4.456 0 . 1 . . . B 71 SER HA . 18671 1 1598 . 2 2 73 73 SER HB3 H 1 3.901 0.004 . 1 . . . B 71 SER HB3 . 18671 1 1599 . 2 2 73 73 SER CB C 13 64.191 0.003 . 1 . . . B 71 SER CB . 18671 1 1600 . 2 2 74 74 ALA H H 1 7.763 0.002 . 1 . . . B 72 ALA H . 18671 1 1601 . 2 2 74 74 ALA HA H 1 4.141 0.001 . 1 . . . B 72 ALA HA . 18671 1 1602 . 2 2 74 74 ALA HB1 H 1 1.368 0 . 1 . . . B 72 ALA HB1 . 18671 1 1603 . 2 2 74 74 ALA HB2 H 1 1.368 0 . 1 . . . B 72 ALA HB2 . 18671 1 1604 . 2 2 74 74 ALA HB3 H 1 1.368 0 . 1 . . . B 72 ALA HB3 . 18671 1 1605 . 2 2 74 74 ALA CA C 13 54.052 0.013 . 1 . . . B 72 ALA CA . 18671 1 1606 . 2 2 74 74 ALA N N 15 131.082 0 . 1 . . . B 72 ALA N . 18671 1 stop_ save_