data_11463 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11463 _Entry.Title ; Solution structure of the bromodomain of human BRPF1 in complex with histone H4K5ac peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-08 _Entry.Accession_date 2011-12-08 _Entry.Last_release_date 2013-03-26 _Entry.Original_release_date 2013-03-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _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 'X. R.' Qin . . . 11463 2 T. Nagashima . . . 11463 3 T. Umehara . . . 11463 4 F. Hayashi . . . 11463 5 S. Yokoyama . . . 11463 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 'PSI, Protein Structure Initiative' 'RIKEN Structural Genomics/Proteomics Initiative' . 11463 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BR140 Protein' . 11463 'Bromodomain and PHD finger-containing protein 1' . 11463 complexe . 11463 Histone . 11463 'Human BRPF1 protein' . 11463 'transcription activator' . 11463 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11463 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 11463 '15N chemical shifts' 130 11463 '1H chemical shifts' 919 11463 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-03-26 2011-12-08 original author . 11463 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9E 'Bromodomain in free state' 11463 PDB 2RS9 'BMRB Entry Tracking System' 11463 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11463 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Site-specific histone recognition by the bromodomain of Brpf1 and the role in MOZ/MORF histone acetyltransferase complexes' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 'X. R.' Qin . . . 11463 1 2 F. Hayashi . . . 11463 1 3 S. Yokoyama . . . 11463 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11463 _Assembly.ID 1 _Assembly.Name 'Bromodomain of human BRPF1 in complex with histone H4K5ac peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 An_acetylated-lysine_5_of_histone_4_peptide 1 $entity_1 A . yes native no no . . . 11463 1 2 Bromodomain 2 $entity_2 B . yes native no no . . . 11463 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11463 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name An_acetylated-lysine_5_of_histone_4_peptide _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 SGRGXGGKGL _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-10 _Entity.Polymer_author_seq_details ; SGRG(ALY)GGKGL acetylated-lysine 5 ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment H4K5ac _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 960.099 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . . EMBL P62805 . 'Histone 4' . . . . . . . . . . . . . . 11463 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 . SER . 11463 1 2 . GLY . 11463 1 3 . ARG . 11463 1 4 . GLY . 11463 1 5 . ALY . 11463 1 6 . GLY . 11463 1 7 . GLY . 11463 1 8 . LYS . 11463 1 9 . GLY . 11463 1 10 . LEU . 11463 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 . SER 1 1 11463 1 . GLY 2 2 11463 1 . ARG 3 3 11463 1 . GLY 4 4 11463 1 . ALY 5 5 11463 1 . GLY 6 6 11463 1 . GLY 7 7 11463 1 . LYS 8 8 11463 1 . GLY 9 9 11463 1 . LEU 10 10 11463 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11463 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Bromodomain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGFLILLRKTLEQLQ EKDTGNIFSEPVPLSEVPDY LDHIKKPMDFFTMKQNLEAY RYLNFDDFEEDFNLIVSNCL KYNAKDTIFYRAAVRLREQG GAVLRQARRQAEKMGSGPSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'From G41 to G161' _Entity.Polymer_author_seq_details '41-47 and 156-161 represent a non-native affinity tag' _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Bromodomain _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13777.645 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 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 PDB 2D9E . "Solution Structure Of The Bromodomain Of Peregrin" . . . . . 100.00 121 100.00 100.00 5.88e-83 . . . . 11463 2 2 no PDB 2RS9 . "Solution Structure Of The Bromodomain Of Human Brpf1 In Complex With Histone H4k5ac Peptide" . . . . . 100.00 121 100.00 100.00 5.88e-83 . . . . 11463 2 3 no PDB 4LC2 . "Crystal Structure Of The Bromodomain Of Human Brpf1b" . . . . . 90.91 116 98.18 99.09 3.08e-73 . . . . 11463 2 4 no PDB 4UYE . "Bromodomain Of Human Brpf1 With N-1,3-dimethyl-2-oxo-6-( Piperidin-1-yl)-2,3-dihydro-1h-1,3-benzodiazol-5-yl-2- Methoxybenzamid" . . . . . 89.26 118 98.15 99.07 2.69e-71 . . . . 11463 2 5 no DBJ BAC31528 . "unnamed protein product [Mus musculus]" . . . . . 90.91 807 98.18 99.09 1.10e-67 . . . . 11463 2 6 no DBJ BAE33691 . "unnamed protein product [Mus musculus]" . . . . . 89.26 1247 100.00 100.00 6.31e-67 . . . . 11463 2 7 no DBJ BAG10583 . "peregrin [synthetic construct]" . . . . . 89.26 1214 100.00 100.00 5.56e-67 . . . . 11463 2 8 no DBJ BAG57257 . "unnamed protein product [Homo sapiens]" . . . . . 89.26 1119 100.00 100.00 4.16e-67 . . . . 11463 2 9 no EMBL CAD28495 . "hypothetical protein [Homo sapiens]" . . . . . 89.26 1213 100.00 100.00 5.16e-67 . . . . 11463 2 10 no GB AAB02119 . "Br140 [Homo sapiens]" . . . . . 89.26 1214 99.07 100.00 1.49e-66 . . . . 11463 2 11 no GB AAF19605 . "putative 8-hydroxyguanine DNA glycosylase [Homo sapiens]" . . . . . 89.26 1214 100.00 100.00 5.56e-67 . . . . 11463 2 12 no GB AAH05647 . "Brpf1 protein, partial [Mus musculus]" . . . . . 89.26 706 100.00 100.00 1.18e-68 . . . . 11463 2 13 no GB AAH46521 . "Bromodomain and PHD finger containing, 1 [Mus musculus]" . . . . . 89.26 1246 100.00 100.00 6.28e-67 . . . . 11463 2 14 no GB AAI38362 . "Brpf1 protein [Mus musculus]" . . . . . 89.26 1212 100.00 100.00 6.39e-67 . . . . 11463 2 15 no REF NP_001178501 . "peregrin [Rattus norvegicus]" . . . . . 89.26 1246 100.00 100.00 5.92e-67 . . . . 11463 2 16 no REF NP_001269055 . "peregrin isoform 1 [Mus musculus]" . . . . . 89.26 1247 100.00 100.00 6.31e-67 . . . . 11463 2 17 no REF NP_001269056 . "peregrin isoform 3 [Mus musculus]" . . . . . 89.26 1212 100.00 100.00 6.39e-67 . . . . 11463 2 18 no REF NP_004625 . "peregrin isoform 2 [Homo sapiens]" . . . . . 89.26 1214 100.00 100.00 5.56e-67 . . . . 11463 2 19 no REF NP_084454 . "peregrin isoform 2 [Mus musculus]" . . . . . 89.26 1246 100.00 100.00 6.28e-67 . . . . 11463 2 20 no SP P55201 . "RecName: Full=Peregrin; AltName: Full=Bromodomain and PHD finger-containing protein 1; AltName: Full=Protein Br140 [Homo sapien" . . . . . 89.26 1214 100.00 100.00 5.56e-67 . . . . 11463 2 21 no TPG DAA17219 . "TPA: bromodomain and PHD finger containing, 1-like isoform 2 [Bos taurus]" . . . . . 89.26 1213 100.00 100.00 5.59e-67 . . . . 11463 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 41 GLY . 11463 2 2 42 SER . 11463 2 3 43 SER . 11463 2 4 44 GLY . 11463 2 5 47 SER . 11463 2 6 48 SER . 11463 2 7 49 GLY . 11463 2 8 50 PHE . 11463 2 9 51 LEU . 11463 2 10 52 ILE . 11463 2 11 53 LEU . 11463 2 12 54 LEU . 11463 2 13 55 ARG . 11463 2 14 56 LYS . 11463 2 15 57 THR . 11463 2 16 58 LEU . 11463 2 17 59 GLU . 11463 2 18 60 GLN . 11463 2 19 61 LEU . 11463 2 20 62 GLN . 11463 2 21 63 GLU . 11463 2 22 64 LYS . 11463 2 23 65 ASP . 11463 2 24 66 THR . 11463 2 25 67 GLY . 11463 2 26 68 ASN . 11463 2 27 69 ILE . 11463 2 28 70 PHE . 11463 2 29 71 SER . 11463 2 30 72 GLU . 11463 2 31 73 PRO . 11463 2 32 74 VAL . 11463 2 33 75 PRO . 11463 2 34 76 LEU . 11463 2 35 77 SER . 11463 2 36 78 GLU . 11463 2 37 79 VAL . 11463 2 38 80 PRO . 11463 2 39 81 ASP . 11463 2 40 82 TYR . 11463 2 41 83 LEU . 11463 2 42 84 ASP . 11463 2 43 85 HIS . 11463 2 44 86 ILE . 11463 2 45 87 LYS . 11463 2 46 88 LYS . 11463 2 47 89 PRO . 11463 2 48 90 MET . 11463 2 49 91 ASP . 11463 2 50 92 PHE . 11463 2 51 93 PHE . 11463 2 52 94 THR . 11463 2 53 95 MET . 11463 2 54 96 LYS . 11463 2 55 97 GLN . 11463 2 56 98 ASN . 11463 2 57 99 LEU . 11463 2 58 100 GLU . 11463 2 59 101 ALA . 11463 2 60 102 TYR . 11463 2 61 103 ARG . 11463 2 62 104 TYR . 11463 2 63 105 LEU . 11463 2 64 106 ASN . 11463 2 65 107 PHE . 11463 2 66 108 ASP . 11463 2 67 109 ASP . 11463 2 68 110 PHE . 11463 2 69 111 GLU . 11463 2 70 112 GLU . 11463 2 71 113 ASP . 11463 2 72 114 PHE . 11463 2 73 115 ASN . 11463 2 74 116 LEU . 11463 2 75 117 ILE . 11463 2 76 118 VAL . 11463 2 77 119 SER . 11463 2 78 120 ASN . 11463 2 79 121 CYS . 11463 2 80 122 LEU . 11463 2 81 123 LYS . 11463 2 82 124 TYR . 11463 2 83 125 ASN . 11463 2 84 126 ALA . 11463 2 85 127 LYS . 11463 2 86 128 ASP . 11463 2 87 129 THR . 11463 2 88 130 ILE . 11463 2 89 131 PHE . 11463 2 90 132 TYR . 11463 2 91 133 ARG . 11463 2 92 134 ALA . 11463 2 93 135 ALA . 11463 2 94 136 VAL . 11463 2 95 137 ARG . 11463 2 96 138 LEU . 11463 2 97 139 ARG . 11463 2 98 140 GLU . 11463 2 99 141 GLN . 11463 2 100 142 GLY . 11463 2 101 143 GLY . 11463 2 102 144 ALA . 11463 2 103 145 VAL . 11463 2 104 146 LEU . 11463 2 105 147 ARG . 11463 2 106 148 GLN . 11463 2 107 149 ALA . 11463 2 108 150 ARG . 11463 2 109 151 ARG . 11463 2 110 152 GLN . 11463 2 111 153 ALA . 11463 2 112 154 GLU . 11463 2 113 155 LYS . 11463 2 114 156 MET . 11463 2 115 157 GLY . 11463 2 116 158 SER . 11463 2 117 159 GLY . 11463 2 118 160 PRO . 11463 2 119 161 SER . 11463 2 120 162 SER . 11463 2 121 163 GLY . 11463 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 . GLY 1 1 11463 2 . SER 2 2 11463 2 . SER 3 3 11463 2 . GLY 4 4 11463 2 . SER 5 5 11463 2 . SER 6 6 11463 2 . GLY 7 7 11463 2 . PHE 8 8 11463 2 . LEU 9 9 11463 2 . ILE 10 10 11463 2 . LEU 11 11 11463 2 . LEU 12 12 11463 2 . ARG 13 13 11463 2 . LYS 14 14 11463 2 . THR 15 15 11463 2 . LEU 16 16 11463 2 . GLU 17 17 11463 2 . GLN 18 18 11463 2 . LEU 19 19 11463 2 . GLN 20 20 11463 2 . GLU 21 21 11463 2 . LYS 22 22 11463 2 . ASP 23 23 11463 2 . THR 24 24 11463 2 . GLY 25 25 11463 2 . ASN 26 26 11463 2 . ILE 27 27 11463 2 . PHE 28 28 11463 2 . SER 29 29 11463 2 . GLU 30 30 11463 2 . PRO 31 31 11463 2 . VAL 32 32 11463 2 . PRO 33 33 11463 2 . LEU 34 34 11463 2 . SER 35 35 11463 2 . GLU 36 36 11463 2 . VAL 37 37 11463 2 . PRO 38 38 11463 2 . ASP 39 39 11463 2 . TYR 40 40 11463 2 . LEU 41 41 11463 2 . ASP 42 42 11463 2 . HIS 43 43 11463 2 . ILE 44 44 11463 2 . LYS 45 45 11463 2 . LYS 46 46 11463 2 . PRO 47 47 11463 2 . MET 48 48 11463 2 . ASP 49 49 11463 2 . PHE 50 50 11463 2 . PHE 51 51 11463 2 . THR 52 52 11463 2 . MET 53 53 11463 2 . LYS 54 54 11463 2 . GLN 55 55 11463 2 . ASN 56 56 11463 2 . LEU 57 57 11463 2 . GLU 58 58 11463 2 . ALA 59 59 11463 2 . TYR 60 60 11463 2 . ARG 61 61 11463 2 . TYR 62 62 11463 2 . LEU 63 63 11463 2 . ASN 64 64 11463 2 . PHE 65 65 11463 2 . ASP 66 66 11463 2 . ASP 67 67 11463 2 . PHE 68 68 11463 2 . GLU 69 69 11463 2 . GLU 70 70 11463 2 . ASP 71 71 11463 2 . PHE 72 72 11463 2 . ASN 73 73 11463 2 . LEU 74 74 11463 2 . ILE 75 75 11463 2 . VAL 76 76 11463 2 . SER 77 77 11463 2 . ASN 78 78 11463 2 . CYS 79 79 11463 2 . LEU 80 80 11463 2 . LYS 81 81 11463 2 . TYR 82 82 11463 2 . ASN 83 83 11463 2 . ALA 84 84 11463 2 . LYS 85 85 11463 2 . ASP 86 86 11463 2 . THR 87 87 11463 2 . ILE 88 88 11463 2 . PHE 89 89 11463 2 . TYR 90 90 11463 2 . ARG 91 91 11463 2 . ALA 92 92 11463 2 . ALA 93 93 11463 2 . VAL 94 94 11463 2 . ARG 95 95 11463 2 . LEU 96 96 11463 2 . ARG 97 97 11463 2 . GLU 98 98 11463 2 . GLN 99 99 11463 2 . GLY 100 100 11463 2 . GLY 101 101 11463 2 . ALA 102 102 11463 2 . VAL 103 103 11463 2 . LEU 104 104 11463 2 . ARG 105 105 11463 2 . GLN 106 106 11463 2 . ALA 107 107 11463 2 . ARG 108 108 11463 2 . ARG 109 109 11463 2 . GLN 110 110 11463 2 . ALA 111 111 11463 2 . GLU 112 112 11463 2 . LYS 113 113 11463 2 . MET 114 114 11463 2 . GLY 115 115 11463 2 . SER 116 116 11463 2 . GLY 117 117 11463 2 . PRO 118 118 11463 2 . SER 119 119 11463 2 . SER 120 120 11463 2 . GLY 121 121 11463 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 11463 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11463 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11463 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 11463 _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 $entity_1 . 'chemical synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 11463 1 2 2 $entity_2 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 11463 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ALY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALY _Chem_comp.Entry_ID 11463 _Chem_comp.ID ALY _Chem_comp.Provenance . _Chem_comp.Name N(6)-ACETYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code ALY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2000-08-18 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code ALY _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H16 N2 O3' _Chem_comp.Formula_weight 188.224 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1E6I _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jan 24 00:11:09 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 11463 ALY CC(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11463 ALY CC(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 11463 ALY CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 11463 ALY DTERQYGMUDWYAZ-ZETCQYMHSA-N InChIKey InChI 1.03 11463 ALY InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 InChI InChI 1.03 11463 ALY O=C(NCCCCC(N)C(=O)O)C SMILES ACDLabs 10.04 11463 ALY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-6-acetamido-2-amino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11463 ALY N~6~-acetyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 11463 ALY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OH . OH . . O . . N 0 . . . . no no . . . . 9.990 . 20.290 . -7.423 . 1.006 -0.557 4.738 1 . 11463 ALY CH . CH . . C . . N 0 . . . . no no . . . . 11.031 . 21.048 . -7.196 . -0.053 0.007 4.572 2 . 11463 ALY CH3 . CH3 . . C . . N 0 . . . . no no . . . . 11.087 . 21.981 . -6.014 . -0.861 0.460 5.761 3 . 11463 ALY NZ . NZ . . N . . N 0 . . . . no no . . . . 12.165 . 21.027 . -8.042 . -0.509 0.231 3.324 4 . 11463 ALY CE . CE . . C . . N 0 . . . . no no . . . . 11.999 . 20.068 . -9.164 . 0.275 -0.208 2.167 5 . 11463 ALY CD . CD . . C . . N 0 . . . . no no . . . . 11.485 . 20.768 . -10.423 . -0.461 0.164 0.879 6 . 11463 ALY CG . CG . . C . . N 0 . . . . no no . . . . 11.544 . 19.848 . -11.637 . 0.358 -0.294 -0.327 7 . 11463 ALY CB . CB . . C . . N 0 . . . . no no . . . . 12.935 . 19.885 . -12.249 . -0.377 0.078 -1.615 8 . 11463 ALY CA . CA . . C . . S 0 . . . . no no . . . . 13.188 . 18.796 . -13.285 . 0.442 -0.381 -2.823 9 . 11463 ALY N . N . . N . . N 0 . . . . no no . . . . 14.473 . 19.072 . -13.889 . 1.755 0.276 -2.802 10 . 11463 ALY C . C . . C . . N 0 . . . . no no . . . . 12.124 . 18.861 . -14.337 . -0.283 -0.013 -4.092 11 . 11463 ALY O . O . . O . . N 0 . . . . no no . . . . 12.100 . 19.891 . -15.140 . -0.079 1.056 -4.616 12 . 11463 ALY OXT . OXT . . O . . N 0 . . . . no yes . . . . 11.219 . 17.899 . -14.413 . -1.155 -0.873 -4.640 13 . 11463 ALY HH31 . HH31 . . H . . N 0 . . . . no no . . . . 11.974 . 22.627 . -5.820 . -0.336 0.194 6.679 14 . 11463 ALY HH32 . HH32 . . H . . N 0 . . . . no no . . . . 10.187 . 22.638 . -6.054 . -0.994 1.541 5.719 15 . 11463 ALY HH33 . HH33 . . H . . N 0 . . . . no no . . . . 10.894 . 21.380 . -5.094 . -1.835 -0.027 5.746 16 . 11463 ALY HZ . HZ . . H . . N 0 . . . . no no . . . . 12.980 . 21.615 . -7.868 . -1.357 0.683 3.191 17 . 11463 ALY HE3 . HE3 . . H . . N 0 . . . . no no . . . . 12.940 . 19.505 . -9.364 . 1.250 0.278 2.183 18 . 11463 ALY HE2 . HE2 . . H . . N 0 . . . . no no . . . . 11.345 . 19.211 . -8.876 . 0.409 -1.289 2.209 19 . 11463 ALY HD3 . HD3 . . H . . N 0 . . . . no no . . . . 10.459 . 21.178 . -10.271 . -1.435 -0.322 0.864 20 . 11463 ALY HD2 . HD2 . . H . . N 0 . . . . no no . . . . 12.028 . 21.724 . -10.608 . -0.594 1.245 0.837 21 . 11463 ALY HG3 . HG3 . . H . . N 0 . . . . no no . . . . 11.223 . 18.809 . -11.390 . 1.333 0.192 -0.312 22 . 11463 ALY HG2 . HG2 . . H . . N 0 . . . . no no . . . . 10.752 . 20.089 . -12.383 . 0.492 -1.375 -0.285 23 . 11463 ALY HB3 . HB3 . . H . . N 0 . . . . no no . . . . 13.145 . 20.891 . -12.680 . -1.352 -0.409 -1.631 24 . 11463 ALY HB2 . HB2 . . H . . N 0 . . . . no no . . . . 13.713 . 19.854 . -11.451 . -0.511 1.159 -1.657 25 . 11463 ALY HCA . HCA . . H . . N 0 . . . . no no . . . . 13.175 . 17.784 . -12.815 . 0.575 -1.462 -2.781 26 . 11463 ALY H . H . . H . . N 0 . . . . no no . . . . 14.642 . 18.343 . -14.582 . 1.583 1.269 -2.842 27 . 11463 ALY H2 . H2 . . H . . N 0 . . . . no yes . . . . 15.225 . 19.156 . -13.206 . 2.159 0.088 -1.896 28 . 11463 ALY HXT . HXT . . H . . N 0 . . . . no yes . . . . 10.544 . 17.940 . -15.080 . -1.620 -0.637 -5.454 29 . 11463 ALY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB OH CH no N 1 . 11463 ALY 2 . SING CH CH3 no N 2 . 11463 ALY 3 . SING CH NZ no N 3 . 11463 ALY 4 . SING CH3 HH31 no N 4 . 11463 ALY 5 . SING CH3 HH32 no N 5 . 11463 ALY 6 . SING CH3 HH33 no N 6 . 11463 ALY 7 . SING NZ CE no N 7 . 11463 ALY 8 . SING NZ HZ no N 8 . 11463 ALY 9 . SING CE CD no N 9 . 11463 ALY 10 . SING CE HE3 no N 10 . 11463 ALY 11 . SING CE HE2 no N 11 . 11463 ALY 12 . SING CD CG no N 12 . 11463 ALY 13 . SING CD HD3 no N 13 . 11463 ALY 14 . SING CD HD2 no N 14 . 11463 ALY 15 . SING CG CB no N 15 . 11463 ALY 16 . SING CG HG3 no N 16 . 11463 ALY 17 . SING CG HG2 no N 17 . 11463 ALY 18 . SING CB CA no N 18 . 11463 ALY 19 . SING CB HB3 no N 19 . 11463 ALY 20 . SING CB HB2 no N 20 . 11463 ALY 21 . SING CA N no N 21 . 11463 ALY 22 . SING CA C no N 22 . 11463 ALY 23 . SING CA HCA no N 23 . 11463 ALY 24 . SING N H no N 24 . 11463 ALY 25 . SING N H2 no N 25 . 11463 ALY 26 . DOUB C O no N 26 . 11463 ALY 27 . SING C OXT no N 27 . 11463 ALY 28 . SING OXT HXT no N 28 . 11463 ALY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11463 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM Phosphorate Buffer(pH 6.5); 50mMNaCl; 5mM d-DTT; 0.02% NaN3' _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 entity_1 'natural abundance' . . 1 $entity_1 . protein 1.5 . . mM . . . . 11463 1 2 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . protein 0.54 . . mM . . . . 11463 1 3 H2O . . . . . . solvent 90 . . % . . . . 11463 1 4 D2O . . . . . . solvent 10 . . % . . . . 11463 1 5 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11463 1 6 NaCl 'natural abundance' . . . . . salt 50 . . mM . . . . 11463 1 7 d-DTT 'natural abundance' . . . . . salt 5 . . mM . . . . 11463 1 8 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11463 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11463 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50mM Phosphorate Buffer(pH 6.5); 50mMNaCl; 5mM d-DTT; 0.02% NaN3' 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' 100 . mM 11463 1 pH 6.5 . pH 11463 1 pressure 1 . atm 11463 1 temperature 288 . K 11463 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11463 _Software.ID 1 _Software.Name NMRPipe _Software.Version 20100701 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11463 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11463 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11463 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11463 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11463 2 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11463 _Software.ID 3 _Software.Name Kujira _Software.Version 0.9905 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11463 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11463 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11463 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11463 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11463 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11463 _Software.ID 5 _Software.Name AMBER _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11463 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11463 5 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 11463 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11463 _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 . 800 . . . 11463 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 11463 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11463 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11463 1 3 '13C-edited (F1)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11463 1 4 '13C/15N-filtered (F3) 3D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11463 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 11463 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11463 1 H 1 water protons . . . . ppm 4.89 internal direct 1.000000000 . . . . . . . . . 11463 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11463 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 11463 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 11463 1 2 '3D 1H-13C NOESY' . . . 11463 1 3 '13C-edited (F1)' . . . 11463 1 4 '13C/15N-filtered (F3) 3D NOESY' . . . 11463 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 SER HB2 H 1 3.706 0.030 . 1 . . . A 1 SER HB2 . 11463 1 2 . 1 1 1 1 SER HB3 H 1 3.706 0.030 . 1 . . . A 1 SER HB3 . 11463 1 3 . 1 1 3 3 ARG H H 1 8.313 0.030 . 1 . . . A 3 ARG H . 11463 1 4 . 1 1 3 3 ARG HA H 1 4.295 0.030 . 1 . . . A 3 ARG HA . 11463 1 5 . 1 1 3 3 ARG HB2 H 1 1.908 0.030 . 2 . . . A 3 ARG HB2 . 11463 1 6 . 1 1 3 3 ARG HB3 H 1 1.765 0.030 . 2 . . . A 3 ARG HB3 . 11463 1 7 . 1 1 3 3 ARG HG2 H 1 1.646 0.030 . 2 . . . A 3 ARG HG2 . 11463 1 8 . 1 1 3 3 ARG HG3 H 1 1.616 0.030 . 2 . . . A 3 ARG HG3 . 11463 1 9 . 1 1 3 3 ARG HD2 H 1 3.184 0.030 . 1 . . . A 3 ARG HD2 . 11463 1 10 . 1 1 3 3 ARG HD3 H 1 3.184 0.030 . 1 . . . A 3 ARG HD3 . 11463 1 11 . 1 1 3 3 ARG HE H 1 7.281 0.030 . 1 . . . A 3 ARG HE . 11463 1 12 . 1 1 4 4 GLY HA2 H 1 3.863 0.030 . 2 . . . A 4 GLY HA2 . 11463 1 13 . 1 1 5 5 ALY H H 1 7.905 0.030 . 1 . . . A 5 ALY H . 11463 1 14 . 1 1 5 5 ALY HCA H 1 4.292 0.030 . 1 . . . A 5 ALY HA . 11463 1 15 . 1 1 5 5 ALY HB2 H 1 1.805 0.030 . 2 . . . A 5 ALY HB2 . 11463 1 16 . 1 1 5 5 ALY HB3 H 1 1.684 0.030 . 2 . . . A 5 ALY HB3 . 11463 1 17 . 1 1 5 5 ALY HD2 H 1 1.447 0.030 . 2 . . . A 5 ALY HD2 . 11463 1 18 . 1 1 5 5 ALY HD3 H 1 1.488 0.030 . 2 . . . A 5 ALY HD3 . 11463 1 19 . 1 1 5 5 ALY HE2 H 1 3.080 0.030 . 1 . . . A 5 ALY HE2 . 11463 1 20 . 1 1 5 5 ALY HE3 H 1 3.080 0.030 . 1 . . . A 5 ALY HE3 . 11463 1 21 . 1 1 5 5 ALY HG2 H 1 1.344 0.030 . 2 . . . A 5 ALY HG2 . 11463 1 22 . 1 1 5 5 ALY HG3 H 1 1.220 0.030 . 2 . . . A 5 ALY HG3 . 11463 1 23 . 1 1 6 6 GLY H H 1 8.663 0.030 . 1 . . . A 6 GLY H . 11463 1 24 . 1 1 6 6 GLY HA2 H 1 3.924 0.030 . 1 . . . A 6 GLY HA2 . 11463 1 25 . 1 1 6 6 GLY HA3 H 1 3.924 0.030 . 1 . . . A 6 GLY HA3 . 11463 1 26 . 1 1 7 7 GLY H H 1 8.355 0.030 . 1 . . . A 7 GLY H . 11463 1 27 . 1 1 7 7 GLY HA2 H 1 3.962 0.030 . 1 . . . A 7 GLY HA2 . 11463 1 28 . 1 1 7 7 GLY HA3 H 1 3.962 0.030 . 1 . . . A 7 GLY HA3 . 11463 1 29 . 1 1 8 8 LYS H H 1 8.316 0.030 . 1 . . . A 8 LYS H . 11463 1 30 . 1 1 8 8 LYS HA H 1 4.312 0.030 . 1 . . . A 8 LYS HA . 11463 1 31 . 1 1 8 8 LYS HB2 H 1 1.850 0.030 . 2 . . . A 8 LYS HB2 . 11463 1 32 . 1 1 8 8 LYS HB3 H 1 1.756 0.030 . 2 . . . A 8 LYS HB3 . 11463 1 33 . 1 1 8 8 LYS HG2 H 1 1.398 0.030 . 2 . . . A 8 LYS HG2 . 11463 1 34 . 1 1 8 8 LYS HG3 H 1 1.259 0.030 . 2 . . . A 8 LYS HG3 . 11463 1 35 . 1 1 8 8 LYS HD2 H 1 1.650 0.030 . 1 . . . A 8 LYS HD2 . 11463 1 36 . 1 1 8 8 LYS HD3 H 1 1.650 0.030 . 1 . . . A 8 LYS HD3 . 11463 1 37 . 1 1 8 8 LYS HE2 H 1 2.967 0.030 . 1 . . . A 8 LYS HE2 . 11463 1 38 . 1 1 8 8 LYS HE3 H 1 2.967 0.030 . 1 . . . A 8 LYS HE3 . 11463 1 39 . 1 1 9 9 GLY H H 1 8.561 0.030 . 1 . . . A 9 GLY H . 11463 1 40 . 1 1 9 9 GLY HA2 H 1 3.895 0.030 . 1 . . . A 9 GLY HA2 . 11463 1 41 . 1 1 9 9 GLY HA3 H 1 3.895 0.030 . 1 . . . A 9 GLY HA3 . 11463 1 42 . 1 1 10 10 LEU H H 1 7.824 0.030 . 1 . . . A 10 LEU H . 11463 1 43 . 1 1 10 10 LEU HA H 1 4.155 0.030 . 1 . . . A 10 LEU HA . 11463 1 44 . 1 1 10 10 LEU HB2 H 1 1.565 0.030 . 2 . . . A 10 LEU HB2 . 11463 1 45 . 1 1 10 10 LEU HB3 H 1 1.528 0.030 . 2 . . . A 10 LEU HB3 . 11463 1 46 . 1 1 10 10 LEU HG H 1 1.539 0.030 . 1 . . . A 10 LEU HG . 11463 1 47 . 1 1 10 10 LEU HD11 H 1 0.813 0.030 . 1 . . . A 10 LEU HD1 . 11463 1 48 . 1 1 10 10 LEU HD12 H 1 0.813 0.030 . 1 . . . A 10 LEU HD1 . 11463 1 49 . 1 1 10 10 LEU HD13 H 1 0.813 0.030 . 1 . . . A 10 LEU HD1 . 11463 1 50 . 1 1 10 10 LEU HD21 H 1 0.856 0.030 . 1 . . . A 10 LEU HD2 . 11463 1 51 . 1 1 10 10 LEU HD22 H 1 0.856 0.030 . 1 . . . A 10 LEU HD2 . 11463 1 52 . 1 1 10 10 LEU HD23 H 1 0.856 0.030 . 1 . . . A 10 LEU HD2 . 11463 1 53 . 2 2 3 3 SER H H 1 8.621 0.030 . 1 . . . B 43 SER H . 11463 1 54 . 2 2 3 3 SER HA H 1 4.421 0.030 . 1 . . . B 43 SER HA . 11463 1 55 . 2 2 3 3 SER HB2 H 1 3.856 0.030 . 1 . . . B 43 SER HB2 . 11463 1 56 . 2 2 3 3 SER HB3 H 1 3.856 0.030 . 1 . . . B 43 SER HB3 . 11463 1 57 . 2 2 3 3 SER C C 13 175.164 0.300 . 1 . . . B 43 SER C . 11463 1 58 . 2 2 3 3 SER CA C 13 58.614 0.300 . 1 . . . B 43 SER CA . 11463 1 59 . 2 2 3 3 SER CB C 13 63.673 0.300 . 1 . . . B 43 SER CB . 11463 1 60 . 2 2 3 3 SER N N 15 118.303 0.300 . 1 . . . B 43 SER N . 11463 1 61 . 2 2 4 4 GLY H H 1 8.499 0.030 . 1 . . . B 44 GLY H . 11463 1 62 . 2 2 4 4 GLY HA2 H 1 3.998 0.030 . 1 . . . B 44 GLY HA2 . 11463 1 63 . 2 2 4 4 GLY HA3 H 1 3.998 0.030 . 1 . . . B 44 GLY HA3 . 11463 1 64 . 2 2 4 4 GLY C C 13 174.488 0.300 . 1 . . . B 44 GLY C . 11463 1 65 . 2 2 4 4 GLY CA C 13 45.418 0.300 . 1 . . . B 44 GLY CA . 11463 1 66 . 2 2 4 4 GLY N N 15 110.728 0.300 . 1 . . . B 44 GLY N . 11463 1 67 . 2 2 5 5 SER H H 1 8.379 0.030 . 1 . . . B 45 SER H . 11463 1 68 . 2 2 5 5 SER HA H 1 4.556 0.030 . 1 . . . B 45 SER HA . 11463 1 69 . 2 2 5 5 SER HB2 H 1 3.920 0.030 . 2 . . . B 45 SER HB2 . 11463 1 70 . 2 2 5 5 SER HB3 H 1 3.978 0.030 . 2 . . . B 45 SER HB3 . 11463 1 71 . 2 2 5 5 SER C C 13 175.285 0.300 . 1 . . . B 45 SER C . 11463 1 72 . 2 2 5 5 SER CA C 13 58.535 0.300 . 1 . . . B 45 SER CA . 11463 1 73 . 2 2 5 5 SER CB C 13 63.732 0.300 . 1 . . . B 45 SER CB . 11463 1 74 . 2 2 5 5 SER N N 15 116.096 0.300 . 1 . . . B 45 SER N . 11463 1 75 . 2 2 6 6 SER H H 1 8.597 0.030 . 1 . . . B 46 SER H . 11463 1 76 . 2 2 6 6 SER HA H 1 4.431 0.030 . 1 . . . B 46 SER HA . 11463 1 77 . 2 2 6 6 SER HB2 H 1 4.084 0.030 . 2 . . . B 46 SER HB2 . 11463 1 78 . 2 2 6 6 SER HB3 H 1 4.002 0.030 . 2 . . . B 46 SER HB3 . 11463 1 79 . 2 2 6 6 SER C C 13 175.992 0.300 . 1 . . . B 46 SER C . 11463 1 80 . 2 2 6 6 SER CA C 13 59.611 0.300 . 1 . . . B 46 SER CA . 11463 1 81 . 2 2 6 6 SER CB C 13 63.267 0.300 . 1 . . . B 46 SER CB . 11463 1 82 . 2 2 6 6 SER N N 15 119.036 0.300 . 1 . . . B 46 SER N . 11463 1 83 . 2 2 7 7 GLY H H 1 8.722 0.030 . 1 . . . B 47 GLY H . 11463 1 84 . 2 2 7 7 GLY HA2 H 1 3.837 0.030 . 2 . . . B 47 GLY HA2 . 11463 1 85 . 2 2 7 7 GLY HA3 H 1 3.965 0.030 . 2 . . . B 47 GLY HA3 . 11463 1 86 . 2 2 7 7 GLY C C 13 176.177 0.300 . 1 . . . B 47 GLY C . 11463 1 87 . 2 2 7 7 GLY CA C 13 46.871 0.300 . 1 . . . B 47 GLY CA . 11463 1 88 . 2 2 7 7 GLY N N 15 110.179 0.300 . 1 . . . B 47 GLY N . 11463 1 89 . 2 2 8 8 PHE H H 1 8.328 0.030 . 1 . . . B 48 PHE H . 11463 1 90 . 2 2 8 8 PHE HA H 1 4.220 0.030 . 1 . . . B 48 PHE HA . 11463 1 91 . 2 2 8 8 PHE HB2 H 1 3.295 0.030 . 2 . . . B 48 PHE HB2 . 11463 1 92 . 2 2 8 8 PHE HB3 H 1 2.995 0.030 . 2 . . . B 48 PHE HB3 . 11463 1 93 . 2 2 8 8 PHE HD1 H 1 7.203 0.030 . 1 . . . B 48 PHE HD1 . 11463 1 94 . 2 2 8 8 PHE HD2 H 1 7.203 0.030 . 1 . . . B 48 PHE HD2 . 11463 1 95 . 2 2 8 8 PHE HE1 H 1 7.120 0.030 . 1 . . . B 48 PHE HE1 . 11463 1 96 . 2 2 8 8 PHE HE2 H 1 7.120 0.030 . 1 . . . B 48 PHE HE2 . 11463 1 97 . 2 2 8 8 PHE HZ H 1 6.603 0.030 . 1 . . . B 48 PHE HZ . 11463 1 98 . 2 2 8 8 PHE C C 13 175.904 0.300 . 1 . . . B 48 PHE C . 11463 1 99 . 2 2 8 8 PHE CA C 13 61.403 0.300 . 1 . . . B 48 PHE CA . 11463 1 100 . 2 2 8 8 PHE CB C 13 39.323 0.300 . 1 . . . B 48 PHE CB . 11463 1 101 . 2 2 8 8 PHE CD1 C 13 131.379 0.300 . 1 . . . B 48 PHE CD1 . 11463 1 102 . 2 2 8 8 PHE CD2 C 13 131.379 0.300 . 1 . . . B 48 PHE CD2 . 11463 1 103 . 2 2 8 8 PHE CE1 C 13 130.646 0.300 . 1 . . . B 48 PHE CE1 . 11463 1 104 . 2 2 8 8 PHE CE2 C 13 130.646 0.300 . 1 . . . B 48 PHE CE2 . 11463 1 105 . 2 2 8 8 PHE CZ C 13 128.144 0.300 . 1 . . . B 48 PHE CZ . 11463 1 106 . 2 2 8 8 PHE N N 15 124.168 0.300 . 1 . . . B 48 PHE N . 11463 1 107 . 2 2 9 9 LEU H H 1 7.892 0.030 . 1 . . . B 49 LEU H . 11463 1 108 . 2 2 9 9 LEU HA H 1 3.715 0.030 . 1 . . . B 49 LEU HA . 11463 1 109 . 2 2 9 9 LEU HB2 H 1 1.765 0.030 . 2 . . . B 49 LEU HB2 . 11463 1 110 . 2 2 9 9 LEU HB3 H 1 1.595 0.030 . 2 . . . B 49 LEU HB3 . 11463 1 111 . 2 2 9 9 LEU HG H 1 1.636 0.030 . 1 . . . B 49 LEU HG . 11463 1 112 . 2 2 9 9 LEU HD11 H 1 0.867 0.030 . 1 . . . B 49 LEU HD11 . 11463 1 113 . 2 2 9 9 LEU HD12 H 1 0.867 0.030 . 1 . . . B 49 LEU HD12 . 11463 1 114 . 2 2 9 9 LEU HD13 H 1 0.867 0.030 . 1 . . . B 49 LEU HD13 . 11463 1 115 . 2 2 9 9 LEU HD21 H 1 0.852 0.030 . 1 . . . B 49 LEU HD21 . 11463 1 116 . 2 2 9 9 LEU HD22 H 1 0.852 0.030 . 1 . . . B 49 LEU HD22 . 11463 1 117 . 2 2 9 9 LEU HD23 H 1 0.852 0.030 . 1 . . . B 49 LEU HD23 . 11463 1 118 . 2 2 9 9 LEU C C 13 179.222 0.300 . 1 . . . B 49 LEU C . 11463 1 119 . 2 2 9 9 LEU CA C 13 58.273 0.300 . 1 . . . B 49 LEU CA . 11463 1 120 . 2 2 9 9 LEU CB C 13 41.256 0.300 . 1 . . . B 49 LEU CB . 11463 1 121 . 2 2 9 9 LEU CG C 13 27.463 0.300 . 1 . . . B 49 LEU CG . 11463 1 122 . 2 2 9 9 LEU CD1 C 13 24.240 0.300 . 2 . . . B 49 LEU CD1 . 11463 1 123 . 2 2 9 9 LEU CD2 C 13 24.811 0.300 . 2 . . . B 49 LEU CD2 . 11463 1 124 . 2 2 9 9 LEU N N 15 119.797 0.300 . 1 . . . B 49 LEU N . 11463 1 125 . 2 2 10 10 ILE H H 1 7.820 0.030 . 1 . . . B 50 ILE H . 11463 1 126 . 2 2 10 10 ILE HA H 1 3.481 0.030 . 1 . . . B 50 ILE HA . 11463 1 127 . 2 2 10 10 ILE HB H 1 1.807 0.030 . 1 . . . B 50 ILE HB . 11463 1 128 . 2 2 10 10 ILE HG12 H 1 1.680 0.030 . 2 . . . B 50 ILE HG12 . 11463 1 129 . 2 2 10 10 ILE HG13 H 1 1.081 0.030 . 2 . . . B 50 ILE HG13 . 11463 1 130 . 2 2 10 10 ILE HG21 H 1 0.866 0.030 . 1 . . . B 50 ILE HG21 . 11463 1 131 . 2 2 10 10 ILE HG22 H 1 0.866 0.030 . 1 . . . B 50 ILE HG22 . 11463 1 132 . 2 2 10 10 ILE HG23 H 1 0.866 0.030 . 1 . . . B 50 ILE HG23 . 11463 1 133 . 2 2 10 10 ILE HD11 H 1 0.803 0.030 . 1 . . . B 50 ILE HD11 . 11463 1 134 . 2 2 10 10 ILE HD12 H 1 0.803 0.030 . 1 . . . B 50 ILE HD12 . 11463 1 135 . 2 2 10 10 ILE HD13 H 1 0.803 0.030 . 1 . . . B 50 ILE HD13 . 11463 1 136 . 2 2 10 10 ILE C C 13 178.304 0.300 . 1 . . . B 50 ILE C . 11463 1 137 . 2 2 10 10 ILE CA C 13 65.364 0.300 . 1 . . . B 50 ILE CA . 11463 1 138 . 2 2 10 10 ILE CB C 13 37.938 0.300 . 1 . . . B 50 ILE CB . 11463 1 139 . 2 2 10 10 ILE CG1 C 13 29.514 0.300 . 1 . . . B 50 ILE CG1 . 11463 1 140 . 2 2 10 10 ILE CG2 C 13 16.892 0.300 . 1 . . . B 50 ILE CG2 . 11463 1 141 . 2 2 10 10 ILE CD1 C 13 13.183 0.300 . 1 . . . B 50 ILE CD1 . 11463 1 142 . 2 2 10 10 ILE N N 15 118.651 0.300 . 1 . . . B 50 ILE N . 11463 1 143 . 2 2 11 11 LEU H H 1 7.597 0.030 . 1 . . . B 51 LEU H . 11463 1 144 . 2 2 11 11 LEU HA H 1 4.130 0.030 . 1 . . . B 51 LEU HA . 11463 1 145 . 2 2 11 11 LEU HB2 H 1 1.990 0.030 . 2 . . . B 51 LEU HB2 . 11463 1 146 . 2 2 11 11 LEU HB3 H 1 1.463 0.030 . 2 . . . B 51 LEU HB3 . 11463 1 147 . 2 2 11 11 LEU HG H 1 1.176 0.030 . 1 . . . B 51 LEU HG . 11463 1 148 . 2 2 11 11 LEU HD11 H 1 0.869 0.030 . 1 . . . B 51 LEU HD11 . 11463 1 149 . 2 2 11 11 LEU HD12 H 1 0.869 0.030 . 1 . . . B 51 LEU HD12 . 11463 1 150 . 2 2 11 11 LEU HD13 H 1 0.869 0.030 . 1 . . . B 51 LEU HD13 . 11463 1 151 . 2 2 11 11 LEU HD21 H 1 0.833 0.030 . 1 . . . B 51 LEU HD21 . 11463 1 152 . 2 2 11 11 LEU HD22 H 1 0.833 0.030 . 1 . . . B 51 LEU HD22 . 11463 1 153 . 2 2 11 11 LEU HD23 H 1 0.833 0.030 . 1 . . . B 51 LEU HD23 . 11463 1 154 . 2 2 11 11 LEU C C 13 181.004 0.300 . 1 . . . B 51 LEU C . 11463 1 155 . 2 2 11 11 LEU CA C 13 57.718 0.300 . 1 . . . B 51 LEU CA . 11463 1 156 . 2 2 11 11 LEU CB C 13 40.860 0.300 . 1 . . . B 51 LEU CB . 11463 1 157 . 2 2 11 11 LEU CG C 13 27.905 0.300 . 1 . . . B 51 LEU CG . 11463 1 158 . 2 2 11 11 LEU CD1 C 13 25.908 0.300 . 2 . . . B 51 LEU CD1 . 11463 1 159 . 2 2 11 11 LEU CD2 C 13 23.168 0.300 . 2 . . . B 51 LEU CD2 . 11463 1 160 . 2 2 11 11 LEU N N 15 121.213 0.300 . 1 . . . B 51 LEU N . 11463 1 161 . 2 2 12 12 LEU H H 1 8.359 0.030 . 1 . . . B 52 LEU H . 11463 1 162 . 2 2 12 12 LEU HA H 1 3.144 0.030 . 1 . . . B 52 LEU HA . 11463 1 163 . 2 2 12 12 LEU HB2 H 1 1.541 0.030 . 2 . . . B 52 LEU HB2 . 11463 1 164 . 2 2 12 12 LEU HB3 H 1 0.628 0.030 . 2 . . . B 52 LEU HB3 . 11463 1 165 . 2 2 12 12 LEU HG H 1 0.572 0.030 . 1 . . . B 52 LEU HG . 11463 1 166 . 2 2 12 12 LEU HD11 H 1 0.256 0.030 . 1 . . . B 52 LEU HD11 . 11463 1 167 . 2 2 12 12 LEU HD12 H 1 0.256 0.030 . 1 . . . B 52 LEU HD12 . 11463 1 168 . 2 2 12 12 LEU HD13 H 1 0.256 0.030 . 1 . . . B 52 LEU HD13 . 11463 1 169 . 2 2 12 12 LEU HD21 H 1 -0.534 0.030 . 1 . . . B 52 LEU HD21 . 11463 1 170 . 2 2 12 12 LEU HD22 H 1 -0.534 0.030 . 1 . . . B 52 LEU HD22 . 11463 1 171 . 2 2 12 12 LEU HD23 H 1 -0.534 0.030 . 1 . . . B 52 LEU HD23 . 11463 1 172 . 2 2 12 12 LEU C C 13 178.207 0.300 . 1 . . . B 52 LEU C . 11463 1 173 . 2 2 12 12 LEU CA C 13 58.083 0.300 . 1 . . . B 52 LEU CA . 11463 1 174 . 2 2 12 12 LEU CB C 13 40.655 0.300 . 1 . . . B 52 LEU CB . 11463 1 175 . 2 2 12 12 LEU CG C 13 24.855 0.300 . 1 . . . B 52 LEU CG . 11463 1 176 . 2 2 12 12 LEU CD1 C 13 26.360 0.300 . 2 . . . B 52 LEU CD1 . 11463 1 177 . 2 2 12 12 LEU CD2 C 13 20.502 0.300 . 2 . . . B 52 LEU CD2 . 11463 1 178 . 2 2 12 12 LEU N N 15 122.592 0.300 . 1 . . . B 52 LEU N . 11463 1 179 . 2 2 13 13 ARG H H 1 8.522 0.030 . 1 . . . B 53 ARG H . 11463 1 180 . 2 2 13 13 ARG HA H 1 3.738 0.030 . 1 . . . B 53 ARG HA . 11463 1 181 . 2 2 13 13 ARG HB2 H 1 1.843 0.030 . 1 . . . B 53 ARG HB2 . 11463 1 182 . 2 2 13 13 ARG HB3 H 1 1.843 0.030 . 1 . . . B 53 ARG HB3 . 11463 1 183 . 2 2 13 13 ARG HG2 H 1 1.710 0.030 . 2 . . . B 53 ARG HG2 . 11463 1 184 . 2 2 13 13 ARG HG3 H 1 1.481 0.030 . 2 . . . B 53 ARG HG3 . 11463 1 185 . 2 2 13 13 ARG HD2 H 1 3.088 0.030 . 2 . . . B 53 ARG HD2 . 11463 1 186 . 2 2 13 13 ARG HD3 H 1 3.028 0.030 . 2 . . . B 53 ARG HD3 . 11463 1 187 . 2 2 13 13 ARG HE H 1 8.798 0.030 . 1 . . . B 53 ARG HE . 11463 1 188 . 2 2 13 13 ARG C C 13 179.380 0.300 . 1 . . . B 53 ARG C . 11463 1 189 . 2 2 13 13 ARG CA C 13 60.078 0.300 . 1 . . . B 53 ARG CA . 11463 1 190 . 2 2 13 13 ARG CB C 13 30.428 0.300 . 1 . . . B 53 ARG CB . 11463 1 191 . 2 2 13 13 ARG CG C 13 28.877 0.300 . 1 . . . B 53 ARG CG . 11463 1 192 . 2 2 13 13 ARG CD C 13 43.577 0.300 . 1 . . . B 53 ARG CD . 11463 1 193 . 2 2 13 13 ARG N N 15 119.919 0.300 . 1 . . . B 53 ARG N . 11463 1 194 . 2 2 13 13 ARG NE N 15 86.240 0.300 . 1 . . . B 53 ARG NE . 11463 1 195 . 2 2 14 14 LYS H H 1 8.004 0.030 . 1 . . . B 54 LYS H . 11463 1 196 . 2 2 14 14 LYS HA H 1 4.043 0.030 . 1 . . . B 54 LYS HA . 11463 1 197 . 2 2 14 14 LYS HB2 H 1 1.849 0.030 . 1 . . . B 54 LYS HB2 . 11463 1 198 . 2 2 14 14 LYS HB3 H 1 1.849 0.030 . 1 . . . B 54 LYS HB3 . 11463 1 199 . 2 2 14 14 LYS HG2 H 1 1.421 0.030 . 1 . . . B 54 LYS HG2 . 11463 1 200 . 2 2 14 14 LYS HG3 H 1 1.421 0.030 . 1 . . . B 54 LYS HG3 . 11463 1 201 . 2 2 14 14 LYS HD2 H 1 1.621 0.030 . 2 . . . B 54 LYS HD2 . 11463 1 202 . 2 2 14 14 LYS HD3 H 1 1.583 0.030 . 2 . . . B 54 LYS HD3 . 11463 1 203 . 2 2 14 14 LYS HE2 H 1 2.836 0.030 . 1 . . . B 54 LYS HE2 . 11463 1 204 . 2 2 14 14 LYS HE3 H 1 2.836 0.030 . 1 . . . B 54 LYS HE3 . 11463 1 205 . 2 2 14 14 LYS C C 13 178.787 0.300 . 1 . . . B 54 LYS C . 11463 1 206 . 2 2 14 14 LYS CA C 13 58.332 0.300 . 1 . . . B 54 LYS CA . 11463 1 207 . 2 2 14 14 LYS CB C 13 31.816 0.300 . 1 . . . B 54 LYS CB . 11463 1 208 . 2 2 14 14 LYS CG C 13 24.498 0.300 . 1 . . . B 54 LYS CG . 11463 1 209 . 2 2 14 14 LYS CD C 13 28.514 0.300 . 1 . . . B 54 LYS CD . 11463 1 210 . 2 2 14 14 LYS CE C 13 41.873 0.300 . 1 . . . B 54 LYS CE . 11463 1 211 . 2 2 14 14 LYS N N 15 119.218 0.300 . 1 . . . B 54 LYS N . 11463 1 212 . 2 2 15 15 THR H H 1 8.253 0.030 . 1 . . . B 55 THR H . 11463 1 213 . 2 2 15 15 THR HA H 1 3.809 0.030 . 1 . . . B 55 THR HA . 11463 1 214 . 2 2 15 15 THR HB H 1 4.029 0.030 . 1 . . . B 55 THR HB . 11463 1 215 . 2 2 15 15 THR HG21 H 1 1.077 0.030 . 1 . . . B 55 THR HG21 . 11463 1 216 . 2 2 15 15 THR HG22 H 1 1.077 0.030 . 1 . . . B 55 THR HG22 . 11463 1 217 . 2 2 15 15 THR HG23 H 1 1.077 0.030 . 1 . . . B 55 THR HG23 . 11463 1 218 . 2 2 15 15 THR C C 13 175.714 0.300 . 1 . . . B 55 THR C . 11463 1 219 . 2 2 15 15 THR CA C 13 66.858 0.300 . 1 . . . B 55 THR CA . 11463 1 220 . 2 2 15 15 THR CB C 13 67.643 0.300 . 1 . . . B 55 THR CB . 11463 1 221 . 2 2 15 15 THR CG2 C 13 21.821 0.300 . 1 . . . B 55 THR CG2 . 11463 1 222 . 2 2 15 15 THR N N 15 117.148 0.300 . 1 . . . B 55 THR N . 11463 1 223 . 2 2 16 16 LEU H H 1 8.836 0.030 . 1 . . . B 56 LEU H . 11463 1 224 . 2 2 16 16 LEU HA H 1 4.054 0.030 . 1 . . . B 56 LEU HA . 11463 1 225 . 2 2 16 16 LEU HB2 H 1 2.127 0.030 . 2 . . . B 56 LEU HB2 . 11463 1 226 . 2 2 16 16 LEU HB3 H 1 1.646 0.030 . 2 . . . B 56 LEU HB3 . 11463 1 227 . 2 2 16 16 LEU HG H 1 1.782 0.030 . 1 . . . B 56 LEU HG . 11463 1 228 . 2 2 16 16 LEU HD11 H 1 1.132 0.030 . 1 . . . B 56 LEU HD11 . 11463 1 229 . 2 2 16 16 LEU HD12 H 1 1.132 0.030 . 1 . . . B 56 LEU HD12 . 11463 1 230 . 2 2 16 16 LEU HD13 H 1 1.132 0.030 . 1 . . . B 56 LEU HD13 . 11463 1 231 . 2 2 16 16 LEU HD21 H 1 1.058 0.030 . 1 . . . B 56 LEU HD21 . 11463 1 232 . 2 2 16 16 LEU HD22 H 1 1.058 0.030 . 1 . . . B 56 LEU HD22 . 11463 1 233 . 2 2 16 16 LEU HD23 H 1 1.058 0.030 . 1 . . . B 56 LEU HD23 . 11463 1 234 . 2 2 16 16 LEU C C 13 178.070 0.300 . 1 . . . B 56 LEU C . 11463 1 235 . 2 2 16 16 LEU CA C 13 58.511 0.300 . 1 . . . B 56 LEU CA . 11463 1 236 . 2 2 16 16 LEU CB C 13 41.411 0.300 . 1 . . . B 56 LEU CB . 11463 1 237 . 2 2 16 16 LEU CG C 13 27.075 0.300 . 1 . . . B 56 LEU CG . 11463 1 238 . 2 2 16 16 LEU CD1 C 13 24.867 0.300 . 2 . . . B 56 LEU CD1 . 11463 1 239 . 2 2 16 16 LEU CD2 C 13 26.560 0.300 . 2 . . . B 56 LEU CD2 . 11463 1 240 . 2 2 16 16 LEU N N 15 122.945 0.300 . 1 . . . B 56 LEU N . 11463 1 241 . 2 2 17 17 GLU H H 1 7.734 0.030 . 1 . . . B 57 GLU H . 11463 1 242 . 2 2 17 17 GLU HA H 1 3.994 0.030 . 1 . . . B 57 GLU HA . 11463 1 243 . 2 2 17 17 GLU HB2 H 1 2.196 0.030 . 2 . . . B 57 GLU HB2 . 11463 1 244 . 2 2 17 17 GLU HB3 H 1 2.031 0.030 . 2 . . . B 57 GLU HB3 . 11463 1 245 . 2 2 17 17 GLU HG2 H 1 2.423 0.030 . 2 . . . B 57 GLU HG2 . 11463 1 246 . 2 2 17 17 GLU HG3 H 1 2.168 0.030 . 2 . . . B 57 GLU HG3 . 11463 1 247 . 2 2 17 17 GLU C C 13 179.811 0.300 . 1 . . . B 57 GLU C . 11463 1 248 . 2 2 17 17 GLU CA C 13 59.449 0.300 . 1 . . . B 57 GLU CA . 11463 1 249 . 2 2 17 17 GLU CB C 13 29.250 0.300 . 1 . . . B 57 GLU CB . 11463 1 250 . 2 2 17 17 GLU CG C 13 36.394 0.300 . 1 . . . B 57 GLU CG . 11463 1 251 . 2 2 17 17 GLU N N 15 118.117 0.300 . 1 . . . B 57 GLU N . 11463 1 252 . 2 2 18 18 GLN H H 1 7.958 0.030 . 1 . . . B 58 GLN H . 11463 1 253 . 2 2 18 18 GLN HA H 1 3.962 0.030 . 1 . . . B 58 GLN HA . 11463 1 254 . 2 2 18 18 GLN HB2 H 1 2.386 0.030 . 2 . . . B 58 GLN HB2 . 11463 1 255 . 2 2 18 18 GLN HB3 H 1 1.869 0.030 . 2 . . . B 58 GLN HB3 . 11463 1 256 . 2 2 18 18 GLN HG2 H 1 2.603 0.030 . 2 . . . B 58 GLN HG2 . 11463 1 257 . 2 2 18 18 GLN HG3 H 1 2.307 0.030 . 2 . . . B 58 GLN HG3 . 11463 1 258 . 2 2 18 18 GLN HE21 H 1 7.393 0.030 . 2 . . . B 58 GLN HE21 . 11463 1 259 . 2 2 18 18 GLN HE22 H 1 6.735 0.030 . 2 . . . B 58 GLN HE22 . 11463 1 260 . 2 2 18 18 GLN C C 13 179.341 0.300 . 1 . . . B 58 GLN C . 11463 1 261 . 2 2 18 18 GLN CA C 13 58.774 0.300 . 1 . . . B 58 GLN CA . 11463 1 262 . 2 2 18 18 GLN CB C 13 29.848 0.300 . 1 . . . B 58 GLN CB . 11463 1 263 . 2 2 18 18 GLN CG C 13 34.763 0.300 . 1 . . . B 58 GLN CG . 11463 1 264 . 2 2 18 18 GLN N N 15 118.642 0.300 . 1 . . . B 58 GLN N . 11463 1 265 . 2 2 18 18 GLN NE2 N 15 111.228 0.300 . 1 . . . B 58 GLN NE2 . 11463 1 266 . 2 2 19 19 LEU H H 1 8.293 0.030 . 1 . . . B 59 LEU H . 11463 1 267 . 2 2 19 19 LEU HA H 1 3.876 0.030 . 1 . . . B 59 LEU HA . 11463 1 268 . 2 2 19 19 LEU HB2 H 1 1.954 0.030 . 2 . . . B 59 LEU HB2 . 11463 1 269 . 2 2 19 19 LEU HB3 H 1 1.212 0.030 . 2 . . . B 59 LEU HB3 . 11463 1 270 . 2 2 19 19 LEU HG H 1 1.859 0.030 . 1 . . . B 59 LEU HG . 11463 1 271 . 2 2 19 19 LEU HD11 H 1 0.338 0.030 . 1 . . . B 59 LEU HD11 . 11463 1 272 . 2 2 19 19 LEU HD12 H 1 0.338 0.030 . 1 . . . B 59 LEU HD12 . 11463 1 273 . 2 2 19 19 LEU HD13 H 1 0.338 0.030 . 1 . . . B 59 LEU HD13 . 11463 1 274 . 2 2 19 19 LEU HD21 H 1 0.528 0.030 . 1 . . . B 59 LEU HD21 . 11463 1 275 . 2 2 19 19 LEU HD22 H 1 0.528 0.030 . 1 . . . B 59 LEU HD22 . 11463 1 276 . 2 2 19 19 LEU HD23 H 1 0.528 0.030 . 1 . . . B 59 LEU HD23 . 11463 1 277 . 2 2 19 19 LEU C C 13 178.412 0.300 . 1 . . . B 59 LEU C . 11463 1 278 . 2 2 19 19 LEU CA C 13 57.647 0.300 . 1 . . . B 59 LEU CA . 11463 1 279 . 2 2 19 19 LEU CB C 13 42.191 0.300 . 1 . . . B 59 LEU CB . 11463 1 280 . 2 2 19 19 LEU CG C 13 25.726 0.300 . 1 . . . B 59 LEU CG . 11463 1 281 . 2 2 19 19 LEU CD1 C 13 22.840 0.300 . 2 . . . B 59 LEU CD1 . 11463 1 282 . 2 2 19 19 LEU CD2 C 13 25.142 0.300 . 2 . . . B 59 LEU CD2 . 11463 1 283 . 2 2 19 19 LEU N N 15 119.890 0.300 . 1 . . . B 59 LEU N . 11463 1 284 . 2 2 20 20 GLN H H 1 8.166 0.030 . 1 . . . B 60 GLN H . 11463 1 285 . 2 2 20 20 GLN HA H 1 3.361 0.030 . 1 . . . B 60 GLN HA . 11463 1 286 . 2 2 20 20 GLN HB2 H 1 1.814 0.030 . 2 . . . B 60 GLN HB2 . 11463 1 287 . 2 2 20 20 GLN HB3 H 1 1.526 0.030 . 2 . . . B 60 GLN HB3 . 11463 1 288 . 2 2 20 20 GLN HG2 H 1 2.034 0.030 . 2 . . . B 60 GLN HG2 . 11463 1 289 . 2 2 20 20 GLN HG3 H 1 1.720 0.030 . 2 . . . B 60 GLN HG3 . 11463 1 290 . 2 2 20 20 GLN HE21 H 1 7.047 0.030 . 2 . . . B 60 GLN HE21 . 11463 1 291 . 2 2 20 20 GLN HE22 H 1 7.671 0.030 . 2 . . . B 60 GLN HE22 . 11463 1 292 . 2 2 20 20 GLN C C 13 179.764 0.300 . 1 . . . B 60 GLN C . 11463 1 293 . 2 2 20 20 GLN CA C 13 59.371 0.300 . 1 . . . B 60 GLN CA . 11463 1 294 . 2 2 20 20 GLN CB C 13 27.974 0.300 . 1 . . . B 60 GLN CB . 11463 1 295 . 2 2 20 20 GLN CG C 13 34.581 0.300 . 1 . . . B 60 GLN CG . 11463 1 296 . 2 2 20 20 GLN N N 15 117.350 0.300 . 1 . . . B 60 GLN N . 11463 1 297 . 2 2 20 20 GLN NE2 N 15 111.184 0.300 . 1 . . . B 60 GLN NE2 . 11463 1 298 . 2 2 21 21 GLU H H 1 7.755 0.030 . 1 . . . B 61 GLU H . 11463 1 299 . 2 2 21 21 GLU HA H 1 3.930 0.030 . 1 . . . B 61 GLU HA . 11463 1 300 . 2 2 21 21 GLU HB2 H 1 2.110 0.030 . 2 . . . B 61 GLU HB2 . 11463 1 301 . 2 2 21 21 GLU HB3 H 1 2.024 0.030 . 2 . . . B 61 GLU HB3 . 11463 1 302 . 2 2 21 21 GLU HG2 H 1 2.414 0.030 . 2 . . . B 61 GLU HG2 . 11463 1 303 . 2 2 21 21 GLU HG3 H 1 2.238 0.030 . 2 . . . B 61 GLU HG3 . 11463 1 304 . 2 2 21 21 GLU C C 13 178.458 0.300 . 1 . . . B 61 GLU C . 11463 1 305 . 2 2 21 21 GLU CA C 13 58.354 0.300 . 1 . . . B 61 GLU CA . 11463 1 306 . 2 2 21 21 GLU CB C 13 29.527 0.300 . 1 . . . B 61 GLU CB . 11463 1 307 . 2 2 21 21 GLU CG C 13 36.366 0.300 . 1 . . . B 61 GLU CG . 11463 1 308 . 2 2 21 21 GLU N N 15 119.157 0.300 . 1 . . . B 61 GLU N . 11463 1 309 . 2 2 22 22 LYS H H 1 7.408 0.030 . 1 . . . B 62 LYS H . 11463 1 310 . 2 2 22 22 LYS HA H 1 4.291 0.030 . 1 . . . B 62 LYS HA . 11463 1 311 . 2 2 22 22 LYS HB2 H 1 2.230 0.030 . 2 . . . B 62 LYS HB2 . 11463 1 312 . 2 2 22 22 LYS HB3 H 1 2.012 0.030 . 2 . . . B 62 LYS HB3 . 11463 1 313 . 2 2 22 22 LYS HG2 H 1 2.021 0.030 . 2 . . . B 62 LYS HG2 . 11463 1 314 . 2 2 22 22 LYS HG3 H 1 1.087 0.030 . 2 . . . B 62 LYS HG3 . 11463 1 315 . 2 2 22 22 LYS HD2 H 1 1.549 0.030 . 1 . . . B 62 LYS HD2 . 11463 1 316 . 2 2 22 22 LYS HD3 H 1 1.549 0.030 . 1 . . . B 62 LYS HD3 . 11463 1 317 . 2 2 22 22 LYS HE2 H 1 2.880 0.030 . 2 . . . B 62 LYS HE2 . 11463 1 318 . 2 2 22 22 LYS HE3 H 1 2.820 0.030 . 2 . . . B 62 LYS HE3 . 11463 1 319 . 2 2 22 22 LYS C C 13 177.678 0.300 . 1 . . . B 62 LYS C . 11463 1 320 . 2 2 22 22 LYS CA C 13 54.770 0.300 . 1 . . . B 62 LYS CA . 11463 1 321 . 2 2 22 22 LYS CB C 13 30.374 0.300 . 1 . . . B 62 LYS CB . 11463 1 322 . 2 2 22 22 LYS CG C 13 23.641 0.300 . 1 . . . B 62 LYS CG . 11463 1 323 . 2 2 22 22 LYS CD C 13 26.993 0.300 . 1 . . . B 62 LYS CD . 11463 1 324 . 2 2 22 22 LYS CE C 13 42.196 0.300 . 1 . . . B 62 LYS CE . 11463 1 325 . 2 2 22 22 LYS N N 15 113.131 0.300 . 1 . . . B 62 LYS N . 11463 1 326 . 2 2 23 23 ASP H H 1 7.722 0.030 . 1 . . . B 63 ASP H . 11463 1 327 . 2 2 23 23 ASP HA H 1 5.116 0.030 . 1 . . . B 63 ASP HA . 11463 1 328 . 2 2 23 23 ASP HB2 H 1 3.534 0.030 . 2 . . . B 63 ASP HB2 . 11463 1 329 . 2 2 23 23 ASP HB3 H 1 2.695 0.030 . 2 . . . B 63 ASP HB3 . 11463 1 330 . 2 2 23 23 ASP C C 13 177.100 0.300 . 1 . . . B 63 ASP C . 11463 1 331 . 2 2 23 23 ASP CA C 13 51.879 0.300 . 1 . . . B 63 ASP CA . 11463 1 332 . 2 2 23 23 ASP CB C 13 40.201 0.300 . 1 . . . B 63 ASP CB . 11463 1 333 . 2 2 23 23 ASP N N 15 121.302 0.300 . 1 . . . B 63 ASP N . 11463 1 334 . 2 2 24 24 THR H H 1 7.901 0.030 . 1 . . . B 64 THR H . 11463 1 335 . 2 2 24 24 THR HA H 1 4.047 0.030 . 1 . . . B 64 THR HA . 11463 1 336 . 2 2 24 24 THR HB H 1 4.253 0.030 . 1 . . . B 64 THR HB . 11463 1 337 . 2 2 24 24 THR HG21 H 1 1.331 0.030 . 1 . . . B 64 THR HG21 . 11463 1 338 . 2 2 24 24 THR HG22 H 1 1.331 0.030 . 1 . . . B 64 THR HG22 . 11463 1 339 . 2 2 24 24 THR HG23 H 1 1.331 0.030 . 1 . . . B 64 THR HG23 . 11463 1 340 . 2 2 24 24 THR C C 13 176.486 0.300 . 1 . . . B 64 THR C . 11463 1 341 . 2 2 24 24 THR CA C 13 64.294 0.300 . 1 . . . B 64 THR CA . 11463 1 342 . 2 2 24 24 THR CB C 13 68.305 0.300 . 1 . . . B 64 THR CB . 11463 1 343 . 2 2 24 24 THR CG2 C 13 22.351 0.300 . 1 . . . B 64 THR CG2 . 11463 1 344 . 2 2 24 24 THR N N 15 116.762 0.300 . 1 . . . B 64 THR N . 11463 1 345 . 2 2 25 25 GLY H H 1 8.810 0.030 . 1 . . . B 65 GLY H . 11463 1 346 . 2 2 25 25 GLY HA2 H 1 4.204 0.030 . 2 . . . B 65 GLY HA2 . 11463 1 347 . 2 2 25 25 GLY HA3 H 1 3.510 0.030 . 2 . . . B 65 GLY HA3 . 11463 1 348 . 2 2 25 25 GLY C C 13 173.169 0.300 . 1 . . . B 65 GLY C . 11463 1 349 . 2 2 25 25 GLY CA C 13 44.703 0.300 . 1 . . . B 65 GLY CA . 11463 1 350 . 2 2 25 25 GLY N N 15 108.942 0.300 . 1 . . . B 65 GLY N . 11463 1 351 . 2 2 26 26 ASN H H 1 8.092 0.030 . 1 . . . B 66 ASN H . 11463 1 352 . 2 2 26 26 ASN HA H 1 4.409 0.030 . 1 . . . B 66 ASN HA . 11463 1 353 . 2 2 26 26 ASN HB2 H 1 3.070 0.030 . 2 . . . B 66 ASN HB2 . 11463 1 354 . 2 2 26 26 ASN HB3 H 1 2.806 0.030 . 2 . . . B 66 ASN HB3 . 11463 1 355 . 2 2 26 26 ASN HD21 H 1 7.543 0.030 . 2 . . . B 66 ASN HD21 . 11463 1 356 . 2 2 26 26 ASN HD22 H 1 6.828 0.030 . 2 . . . B 66 ASN HD22 . 11463 1 357 . 2 2 26 26 ASN C C 13 175.491 0.300 . 1 . . . B 66 ASN C . 11463 1 358 . 2 2 26 26 ASN CA C 13 54.664 0.300 . 1 . . . B 66 ASN CA . 11463 1 359 . 2 2 26 26 ASN CB C 13 36.841 0.300 . 1 . . . B 66 ASN CB . 11463 1 360 . 2 2 26 26 ASN N N 15 118.398 0.300 . 1 . . . B 66 ASN N . 11463 1 361 . 2 2 26 26 ASN ND2 N 15 113.116 0.300 . 1 . . . B 66 ASN ND2 . 11463 1 362 . 2 2 27 27 ILE H H 1 9.513 0.030 . 1 . . . B 67 ILE H . 11463 1 363 . 2 2 27 27 ILE HA H 1 3.647 0.030 . 1 . . . B 67 ILE HA . 11463 1 364 . 2 2 27 27 ILE HB H 1 1.162 0.030 . 1 . . . B 67 ILE HB . 11463 1 365 . 2 2 27 27 ILE HG12 H 1 0.932 0.030 . 2 . . . B 67 ILE HG12 . 11463 1 366 . 2 2 27 27 ILE HG13 H 1 1.040 0.030 . 2 . . . B 67 ILE HG13 . 11463 1 367 . 2 2 27 27 ILE HG21 H 1 0.076 0.030 . 1 . . . B 67 ILE HG21 . 11463 1 368 . 2 2 27 27 ILE HG22 H 1 0.076 0.030 . 1 . . . B 67 ILE HG22 . 11463 1 369 . 2 2 27 27 ILE HG23 H 1 0.076 0.030 . 1 . . . B 67 ILE HG23 . 11463 1 370 . 2 2 27 27 ILE HD11 H 1 0.542 0.030 . 1 . . . B 67 ILE HD11 . 11463 1 371 . 2 2 27 27 ILE HD12 H 1 0.542 0.030 . 1 . . . B 67 ILE HD12 . 11463 1 372 . 2 2 27 27 ILE HD13 H 1 0.542 0.030 . 1 . . . B 67 ILE HD13 . 11463 1 373 . 2 2 27 27 ILE C C 13 178.363 0.300 . 1 . . . B 67 ILE C . 11463 1 374 . 2 2 27 27 ILE CA C 13 62.656 0.300 . 1 . . . B 67 ILE CA . 11463 1 375 . 2 2 27 27 ILE CB C 13 38.739 0.300 . 1 . . . B 67 ILE CB . 11463 1 376 . 2 2 27 27 ILE CG1 C 13 28.598 0.300 . 1 . . . B 67 ILE CG1 . 11463 1 377 . 2 2 27 27 ILE CG2 C 13 17.665 0.300 . 1 . . . B 67 ILE CG2 . 11463 1 378 . 2 2 27 27 ILE CD1 C 13 11.865 0.300 . 1 . . . B 67 ILE CD1 . 11463 1 379 . 2 2 27 27 ILE N N 15 121.799 0.300 . 1 . . . B 67 ILE N . 11463 1 380 . 2 2 28 28 PHE H H 1 10.212 0.030 . 1 . . . B 68 PHE H . 11463 1 381 . 2 2 28 28 PHE HA H 1 4.883 0.030 . 1 . . . B 68 PHE HA . 11463 1 382 . 2 2 28 28 PHE HB2 H 1 3.054 0.030 . 2 . . . B 68 PHE HB2 . 11463 1 383 . 2 2 28 28 PHE HB3 H 1 2.648 0.030 . 2 . . . B 68 PHE HB3 . 11463 1 384 . 2 2 28 28 PHE HD1 H 1 7.188 0.030 . 1 . . . B 68 PHE HD1 . 11463 1 385 . 2 2 28 28 PHE HD2 H 1 7.188 0.030 . 1 . . . B 68 PHE HD2 . 11463 1 386 . 2 2 28 28 PHE HE1 H 1 7.153 0.030 . 1 . . . B 68 PHE HE1 . 11463 1 387 . 2 2 28 28 PHE HE2 H 1 7.153 0.030 . 1 . . . B 68 PHE HE2 . 11463 1 388 . 2 2 28 28 PHE HZ H 1 7.203 0.030 . 1 . . . B 68 PHE HZ . 11463 1 389 . 2 2 28 28 PHE C C 13 175.108 0.300 . 1 . . . B 68 PHE C . 11463 1 390 . 2 2 28 28 PHE CA C 13 57.232 0.300 . 1 . . . B 68 PHE CA . 11463 1 391 . 2 2 28 28 PHE CB C 13 39.073 0.300 . 1 . . . B 68 PHE CB . 11463 1 392 . 2 2 28 28 PHE CD1 C 13 132.865 0.300 . 1 . . . B 68 PHE CD1 . 11463 1 393 . 2 2 28 28 PHE CD2 C 13 132.865 0.300 . 1 . . . B 68 PHE CD2 . 11463 1 394 . 2 2 28 28 PHE CE1 C 13 130.462 0.300 . 1 . . . B 68 PHE CE1 . 11463 1 395 . 2 2 28 28 PHE CE2 C 13 130.462 0.300 . 1 . . . B 68 PHE CE2 . 11463 1 396 . 2 2 28 28 PHE CZ C 13 128.478 0.300 . 1 . . . B 68 PHE CZ . 11463 1 397 . 2 2 28 28 PHE N N 15 121.673 0.300 . 1 . . . B 68 PHE N . 11463 1 398 . 2 2 29 29 SER H H 1 7.299 0.030 . 1 . . . B 69 SER H . 11463 1 399 . 2 2 29 29 SER HA H 1 4.416 0.030 . 1 . . . B 69 SER HA . 11463 1 400 . 2 2 29 29 SER HB2 H 1 3.938 0.030 . 2 . . . B 69 SER HB2 . 11463 1 401 . 2 2 29 29 SER HB3 H 1 4.116 0.030 . 2 . . . B 69 SER HB3 . 11463 1 402 . 2 2 29 29 SER C C 13 173.281 0.300 . 1 . . . B 69 SER C . 11463 1 403 . 2 2 29 29 SER CA C 13 61.897 0.300 . 1 . . . B 69 SER CA . 11463 1 404 . 2 2 29 29 SER CB C 13 64.074 0.300 . 1 . . . B 69 SER CB . 11463 1 405 . 2 2 29 29 SER N N 15 114.539 0.300 . 1 . . . B 69 SER N . 11463 1 406 . 2 2 30 30 GLU H H 1 8.111 0.030 . 1 . . . B 70 GLU H . 11463 1 407 . 2 2 30 30 GLU HA H 1 4.867 0.030 . 1 . . . B 70 GLU HA . 11463 1 408 . 2 2 30 30 GLU HB2 H 1 1.916 0.030 . 2 . . . B 70 GLU HB2 . 11463 1 409 . 2 2 30 30 GLU HB3 H 1 1.571 0.030 . 2 . . . B 70 GLU HB3 . 11463 1 410 . 2 2 30 30 GLU HG2 H 1 2.096 0.030 . 2 . . . B 70 GLU HG2 . 11463 1 411 . 2 2 30 30 GLU HG3 H 1 2.035 0.030 . 2 . . . B 70 GLU HG3 . 11463 1 412 . 2 2 30 30 GLU C C 13 173.919 0.300 . 1 . . . B 70 GLU C . 11463 1 413 . 2 2 30 30 GLU CA C 13 53.892 0.300 . 1 . . . B 70 GLU CA . 11463 1 414 . 2 2 30 30 GLU CB C 13 30.880 0.300 . 1 . . . B 70 GLU CB . 11463 1 415 . 2 2 30 30 GLU CG C 13 36.124 0.300 . 1 . . . B 70 GLU CG . 11463 1 416 . 2 2 30 30 GLU N N 15 118.062 0.300 . 1 . . . B 70 GLU N . 11463 1 417 . 2 2 31 31 PRO HA H 1 4.157 0.030 . 1 . . . B 71 PRO HA . 11463 1 418 . 2 2 31 31 PRO HB2 H 1 2.181 0.030 . 2 . . . B 71 PRO HB2 . 11463 1 419 . 2 2 31 31 PRO HB3 H 1 1.463 0.030 . 2 . . . B 71 PRO HB3 . 11463 1 420 . 2 2 31 31 PRO HG2 H 1 2.123 0.030 . 2 . . . B 71 PRO HG2 . 11463 1 421 . 2 2 31 31 PRO HG3 H 1 1.884 0.030 . 2 . . . B 71 PRO HG3 . 11463 1 422 . 2 2 31 31 PRO HD2 H 1 3.622 0.030 . 2 . . . B 71 PRO HD2 . 11463 1 423 . 2 2 31 31 PRO HD3 H 1 3.393 0.030 . 2 . . . B 71 PRO HD3 . 11463 1 424 . 2 2 31 31 PRO C C 13 177.430 0.300 . 1 . . . B 71 PRO C . 11463 1 425 . 2 2 31 31 PRO CA C 13 62.625 0.300 . 1 . . . B 71 PRO CA . 11463 1 426 . 2 2 31 31 PRO CB C 13 31.795 0.300 . 1 . . . B 71 PRO CB . 11463 1 427 . 2 2 31 31 PRO CG C 13 26.936 0.300 . 1 . . . B 71 PRO CG . 11463 1 428 . 2 2 31 31 PRO CD C 13 50.383 0.300 . 1 . . . B 71 PRO CD . 11463 1 429 . 2 2 32 32 VAL H H 1 8.560 0.030 . 1 . . . B 72 VAL H . 11463 1 430 . 2 2 32 32 VAL HA H 1 3.673 0.030 . 1 . . . B 72 VAL HA . 11463 1 431 . 2 2 32 32 VAL HB H 1 0.974 0.030 . 1 . . . B 72 VAL HB . 11463 1 432 . 2 2 32 32 VAL HG11 H 1 -0.187 0.030 . 1 . . . B 72 VAL HG11 . 11463 1 433 . 2 2 32 32 VAL HG12 H 1 -0.187 0.030 . 1 . . . B 72 VAL HG12 . 11463 1 434 . 2 2 32 32 VAL HG13 H 1 -0.187 0.030 . 1 . . . B 72 VAL HG13 . 11463 1 435 . 2 2 32 32 VAL HG21 H 1 0.580 0.030 . 1 . . . B 72 VAL HG21 . 11463 1 436 . 2 2 32 32 VAL HG22 H 1 0.580 0.030 . 1 . . . B 72 VAL HG22 . 11463 1 437 . 2 2 32 32 VAL HG23 H 1 0.580 0.030 . 1 . . . B 72 VAL HG23 . 11463 1 438 . 2 2 32 32 VAL C C 13 175.398 0.300 . 1 . . . B 72 VAL C . 11463 1 439 . 2 2 32 32 VAL CA C 13 61.404 0.300 . 1 . . . B 72 VAL CA . 11463 1 440 . 2 2 32 32 VAL CB C 13 32.372 0.300 . 1 . . . B 72 VAL CB . 11463 1 441 . 2 2 32 32 VAL CG1 C 13 19.216 0.300 . 2 . . . B 72 VAL CG1 . 11463 1 442 . 2 2 32 32 VAL CG2 C 13 21.428 0.300 . 2 . . . B 72 VAL CG2 . 11463 1 443 . 2 2 32 32 VAL N N 15 127.936 0.300 . 1 . . . B 72 VAL N . 11463 1 444 . 2 2 33 33 PRO HA H 1 4.383 0.030 . 1 . . . B 73 PRO HA . 11463 1 445 . 2 2 33 33 PRO HB2 H 1 1.987 0.030 . 2 . . . B 73 PRO HB2 . 11463 1 446 . 2 2 33 33 PRO HB3 H 1 1.878 0.030 . 2 . . . B 73 PRO HB3 . 11463 1 447 . 2 2 33 33 PRO HG2 H 1 2.085 0.030 . 2 . . . B 73 PRO HG2 . 11463 1 448 . 2 2 33 33 PRO HG3 H 1 1.888 0.030 . 2 . . . B 73 PRO HG3 . 11463 1 449 . 2 2 33 33 PRO HD2 H 1 3.748 0.030 . 2 . . . B 73 PRO HD2 . 11463 1 450 . 2 2 33 33 PRO HD3 H 1 3.378 0.030 . 2 . . . B 73 PRO HD3 . 11463 1 451 . 2 2 33 33 PRO C C 13 177.170 0.300 . 1 . . . B 73 PRO C . 11463 1 452 . 2 2 33 33 PRO CA C 13 61.422 0.300 . 1 . . . B 73 PRO CA . 11463 1 453 . 2 2 33 33 PRO CB C 13 30.792 0.300 . 1 . . . B 73 PRO CB . 11463 1 454 . 2 2 33 33 PRO CG C 13 27.730 0.300 . 1 . . . B 73 PRO CG . 11463 1 455 . 2 2 33 33 PRO CD C 13 50.946 0.300 . 1 . . . B 73 PRO CD . 11463 1 456 . 2 2 34 34 LEU H H 1 8.200 0.030 . 1 . . . B 74 LEU H . 11463 1 457 . 2 2 34 34 LEU HA H 1 3.792 0.030 . 1 . . . B 74 LEU HA . 11463 1 458 . 2 2 34 34 LEU HB2 H 1 1.668 0.030 . 2 . . . B 74 LEU HB2 . 11463 1 459 . 2 2 34 34 LEU HB3 H 1 1.480 0.030 . 2 . . . B 74 LEU HB3 . 11463 1 460 . 2 2 34 34 LEU HG H 1 1.793 0.030 . 1 . . . B 74 LEU HG . 11463 1 461 . 2 2 34 34 LEU HD11 H 1 0.985 0.030 . 1 . . . B 74 LEU HD11 . 11463 1 462 . 2 2 34 34 LEU HD12 H 1 0.985 0.030 . 1 . . . B 74 LEU HD12 . 11463 1 463 . 2 2 34 34 LEU HD13 H 1 0.985 0.030 . 1 . . . B 74 LEU HD13 . 11463 1 464 . 2 2 34 34 LEU HD21 H 1 0.853 0.030 . 1 . . . B 74 LEU HD21 . 11463 1 465 . 2 2 34 34 LEU HD22 H 1 0.853 0.030 . 1 . . . B 74 LEU HD22 . 11463 1 466 . 2 2 34 34 LEU HD23 H 1 0.853 0.030 . 1 . . . B 74 LEU HD23 . 11463 1 467 . 2 2 34 34 LEU C C 13 179.183 0.300 . 1 . . . B 74 LEU C . 11463 1 468 . 2 2 34 34 LEU CA C 13 56.810 0.300 . 1 . . . B 74 LEU CA . 11463 1 469 . 2 2 34 34 LEU CB C 13 40.483 0.300 . 1 . . . B 74 LEU CB . 11463 1 470 . 2 2 34 34 LEU CG C 13 26.878 0.300 . 1 . . . B 74 LEU CG . 11463 1 471 . 2 2 34 34 LEU CD1 C 13 25.509 0.300 . 2 . . . B 74 LEU CD1 . 11463 1 472 . 2 2 34 34 LEU CD2 C 13 22.744 0.300 . 2 . . . B 74 LEU CD2 . 11463 1 473 . 2 2 34 34 LEU N N 15 129.002 0.300 . 1 . . . B 74 LEU N . 11463 1 474 . 2 2 35 35 SER H H 1 8.339 0.030 . 1 . . . B 75 SER H . 11463 1 475 . 2 2 35 35 SER HA H 1 4.014 0.030 . 1 . . . B 75 SER HA . 11463 1 476 . 2 2 35 35 SER HB2 H 1 3.855 0.030 . 2 . . . B 75 SER HB2 . 11463 1 477 . 2 2 35 35 SER HB3 H 1 3.784 0.030 . 2 . . . B 75 SER HB3 . 11463 1 478 . 2 2 35 35 SER C C 13 175.736 0.300 . 1 . . . B 75 SER C . 11463 1 479 . 2 2 35 35 SER CA C 13 60.328 0.300 . 1 . . . B 75 SER CA . 11463 1 480 . 2 2 35 35 SER CB C 13 61.974 0.300 . 1 . . . B 75 SER CB . 11463 1 481 . 2 2 35 35 SER N N 15 111.494 0.300 . 1 . . . B 75 SER N . 11463 1 482 . 2 2 36 36 GLU H H 1 7.077 0.030 . 1 . . . B 76 GLU H . 11463 1 483 . 2 2 36 36 GLU HA H 1 4.371 0.030 . 1 . . . B 76 GLU HA . 11463 1 484 . 2 2 36 36 GLU HB2 H 1 2.185 0.030 . 2 . . . B 76 GLU HB2 . 11463 1 485 . 2 2 36 36 GLU HB3 H 1 1.873 0.030 . 2 . . . B 76 GLU HB3 . 11463 1 486 . 2 2 36 36 GLU HG2 H 1 2.218 0.030 . 2 . . . B 76 GLU HG2 . 11463 1 487 . 2 2 36 36 GLU HG3 H 1 2.177 0.030 . 2 . . . B 76 GLU HG3 . 11463 1 488 . 2 2 36 36 GLU C C 13 176.132 0.300 . 1 . . . B 76 GLU C . 11463 1 489 . 2 2 36 36 GLU CA C 13 56.179 0.300 . 1 . . . B 76 GLU CA . 11463 1 490 . 2 2 36 36 GLU CB C 13 31.101 0.300 . 1 . . . B 76 GLU CB . 11463 1 491 . 2 2 36 36 GLU CG C 13 36.220 0.300 . 1 . . . B 76 GLU CG . 11463 1 492 . 2 2 36 36 GLU N N 15 118.417 0.300 . 1 . . . B 76 GLU N . 11463 1 493 . 2 2 37 37 VAL H H 1 7.374 0.030 . 1 . . . B 77 VAL H . 11463 1 494 . 2 2 37 37 VAL HA H 1 4.537 0.030 . 1 . . . B 77 VAL HA . 11463 1 495 . 2 2 37 37 VAL HB H 1 1.836 0.030 . 1 . . . B 77 VAL HB . 11463 1 496 . 2 2 37 37 VAL HG11 H 1 0.772 0.030 . 1 . . . B 77 VAL HG11 . 11463 1 497 . 2 2 37 37 VAL HG12 H 1 0.772 0.030 . 1 . . . B 77 VAL HG12 . 11463 1 498 . 2 2 37 37 VAL HG13 H 1 0.772 0.030 . 1 . . . B 77 VAL HG13 . 11463 1 499 . 2 2 37 37 VAL HG21 H 1 0.605 0.030 . 1 . . . B 77 VAL HG21 . 11463 1 500 . 2 2 37 37 VAL HG22 H 1 0.605 0.030 . 1 . . . B 77 VAL HG22 . 11463 1 501 . 2 2 37 37 VAL HG23 H 1 0.605 0.030 . 1 . . . B 77 VAL HG23 . 11463 1 502 . 2 2 37 37 VAL C C 13 173.594 0.300 . 1 . . . B 77 VAL C . 11463 1 503 . 2 2 37 37 VAL CA C 13 58.762 0.300 . 1 . . . B 77 VAL CA . 11463 1 504 . 2 2 37 37 VAL CB C 13 30.682 0.300 . 1 . . . B 77 VAL CB . 11463 1 505 . 2 2 37 37 VAL CG1 C 13 24.152 0.300 . 2 . . . B 77 VAL CG1 . 11463 1 506 . 2 2 37 37 VAL CG2 C 13 20.371 0.300 . 2 . . . B 77 VAL CG2 . 11463 1 507 . 2 2 37 37 VAL N N 15 119.630 0.300 . 1 . . . B 77 VAL N . 11463 1 508 . 2 2 38 38 PRO HA H 1 4.593 0.030 . 1 . . . B 78 PRO HA . 11463 1 509 . 2 2 38 38 PRO HB2 H 1 2.318 0.030 . 2 . . . B 78 PRO HB2 . 11463 1 510 . 2 2 38 38 PRO HB3 H 1 1.990 0.030 . 2 . . . B 78 PRO HB3 . 11463 1 511 . 2 2 38 38 PRO HG2 H 1 1.913 0.030 . 1 . . . B 78 PRO HG2 . 11463 1 512 . 2 2 38 38 PRO HG3 H 1 1.913 0.030 . 1 . . . B 78 PRO HG3 . 11463 1 513 . 2 2 38 38 PRO HD2 H 1 3.762 0.030 . 2 . . . B 78 PRO HD2 . 11463 1 514 . 2 2 38 38 PRO HD3 H 1 3.229 0.030 . 2 . . . B 78 PRO HD3 . 11463 1 515 . 2 2 38 38 PRO C C 13 177.472 0.300 . 1 . . . B 78 PRO C . 11463 1 516 . 2 2 38 38 PRO CA C 13 65.095 0.300 . 1 . . . B 78 PRO CA . 11463 1 517 . 2 2 38 38 PRO CB C 13 31.846 0.300 . 1 . . . B 78 PRO CB . 11463 1 518 . 2 2 38 38 PRO CG C 13 27.270 0.300 . 1 . . . B 78 PRO CG . 11463 1 519 . 2 2 38 38 PRO CD C 13 50.467 0.300 . 1 . . . B 78 PRO CD . 11463 1 520 . 2 2 39 39 ASP H H 1 8.158 0.030 . 1 . . . B 79 ASP H . 11463 1 521 . 2 2 39 39 ASP HA H 1 4.807 0.030 . 1 . . . B 79 ASP HA . 11463 1 522 . 2 2 39 39 ASP HB2 H 1 3.345 0.030 . 2 . . . B 79 ASP HB2 . 11463 1 523 . 2 2 39 39 ASP HB3 H 1 2.701 0.030 . 2 . . . B 79 ASP HB3 . 11463 1 524 . 2 2 39 39 ASP C C 13 178.512 0.300 . 1 . . . B 79 ASP C . 11463 1 525 . 2 2 39 39 ASP CA C 13 52.571 0.300 . 1 . . . B 79 ASP CA . 11463 1 526 . 2 2 39 39 ASP CB C 13 40.571 0.300 . 1 . . . B 79 ASP CB . 11463 1 527 . 2 2 39 39 ASP N N 15 116.194 0.300 . 1 . . . B 79 ASP N . 11463 1 528 . 2 2 40 40 TYR H H 1 8.108 0.030 . 1 . . . B 80 TYR H . 11463 1 529 . 2 2 40 40 TYR HA H 1 3.799 0.030 . 1 . . . B 80 TYR HA . 11463 1 530 . 2 2 40 40 TYR HB2 H 1 3.021 0.030 . 2 . . . B 80 TYR HB2 . 11463 1 531 . 2 2 40 40 TYR HB3 H 1 2.632 0.030 . 2 . . . B 80 TYR HB3 . 11463 1 532 . 2 2 40 40 TYR HD1 H 1 6.179 0.030 . 1 . . . B 80 TYR HD1 . 11463 1 533 . 2 2 40 40 TYR HD2 H 1 6.179 0.030 . 1 . . . B 80 TYR HD2 . 11463 1 534 . 2 2 40 40 TYR HE1 H 1 6.106 0.030 . 1 . . . B 80 TYR HE1 . 11463 1 535 . 2 2 40 40 TYR HE2 H 1 6.106 0.030 . 1 . . . B 80 TYR HE2 . 11463 1 536 . 2 2 40 40 TYR C C 13 178.392 0.300 . 1 . . . B 80 TYR C . 11463 1 537 . 2 2 40 40 TYR CA C 13 63.595 0.300 . 1 . . . B 80 TYR CA . 11463 1 538 . 2 2 40 40 TYR CB C 13 38.988 0.300 . 1 . . . B 80 TYR CB . 11463 1 539 . 2 2 40 40 TYR CD1 C 13 131.769 0.300 . 1 . . . B 80 TYR CD1 . 11463 1 540 . 2 2 40 40 TYR CD2 C 13 131.769 0.300 . 1 . . . B 80 TYR CD2 . 11463 1 541 . 2 2 40 40 TYR CE1 C 13 116.955 0.300 . 1 . . . B 80 TYR CE1 . 11463 1 542 . 2 2 40 40 TYR CE2 C 13 116.955 0.300 . 1 . . . B 80 TYR CE2 . 11463 1 543 . 2 2 40 40 TYR N N 15 123.851 0.300 . 1 . . . B 80 TYR N . 11463 1 544 . 2 2 41 41 LEU H H 1 8.219 0.030 . 1 . . . B 81 LEU H . 11463 1 545 . 2 2 41 41 LEU HA H 1 4.547 0.030 . 1 . . . B 81 LEU HA . 11463 1 546 . 2 2 41 41 LEU HB2 H 1 1.797 0.030 . 2 . . . B 81 LEU HB2 . 11463 1 547 . 2 2 41 41 LEU HB3 H 1 1.661 0.030 . 2 . . . B 81 LEU HB3 . 11463 1 548 . 2 2 41 41 LEU HG H 1 1.848 0.030 . 1 . . . B 81 LEU HG . 11463 1 549 . 2 2 41 41 LEU HD11 H 1 0.953 0.030 . 1 . . . B 81 LEU HD11 . 11463 1 550 . 2 2 41 41 LEU HD12 H 1 0.953 0.030 . 1 . . . B 81 LEU HD12 . 11463 1 551 . 2 2 41 41 LEU HD13 H 1 0.953 0.030 . 1 . . . B 81 LEU HD13 . 11463 1 552 . 2 2 41 41 LEU HD21 H 1 0.865 0.030 . 1 . . . B 81 LEU HD21 . 11463 1 553 . 2 2 41 41 LEU HD22 H 1 0.865 0.030 . 1 . . . B 81 LEU HD22 . 11463 1 554 . 2 2 41 41 LEU HD23 H 1 0.865 0.030 . 1 . . . B 81 LEU HD23 . 11463 1 555 . 2 2 41 41 LEU C C 13 177.895 0.300 . 1 . . . B 81 LEU C . 11463 1 556 . 2 2 41 41 LEU CA C 13 55.252 0.300 . 1 . . . B 81 LEU CA . 11463 1 557 . 2 2 41 41 LEU CB C 13 39.602 0.300 . 1 . . . B 81 LEU CB . 11463 1 558 . 2 2 41 41 LEU CG C 13 26.703 0.300 . 1 . . . B 81 LEU CG . 11463 1 559 . 2 2 41 41 LEU CD1 C 13 25.629 0.300 . 2 . . . B 81 LEU CD1 . 11463 1 560 . 2 2 41 41 LEU CD2 C 13 21.734 0.300 . 2 . . . B 81 LEU CD2 . 11463 1 561 . 2 2 41 41 LEU N N 15 113.531 0.300 . 1 . . . B 81 LEU N . 11463 1 562 . 2 2 42 42 ASP H H 1 7.496 0.030 . 1 . . . B 82 ASP H . 11463 1 563 . 2 2 42 42 ASP HA H 1 4.266 0.030 . 1 . . . B 82 ASP HA . 11463 1 564 . 2 2 42 42 ASP HB2 H 1 2.733 0.030 . 2 . . . B 82 ASP HB2 . 11463 1 565 . 2 2 42 42 ASP HB3 H 1 2.332 0.030 . 2 . . . B 82 ASP HB3 . 11463 1 566 . 2 2 42 42 ASP C C 13 176.786 0.300 . 1 . . . B 82 ASP C . 11463 1 567 . 2 2 42 42 ASP CA C 13 55.773 0.300 . 1 . . . B 82 ASP CA . 11463 1 568 . 2 2 42 42 ASP CB C 13 39.563 0.300 . 1 . . . B 82 ASP CB . 11463 1 569 . 2 2 42 42 ASP N N 15 118.223 0.300 . 1 . . . B 82 ASP N . 11463 1 570 . 2 2 43 43 HIS H H 1 7.257 0.030 . 1 . . . B 83 HIS H . 11463 1 571 . 2 2 43 43 HIS HA H 1 4.329 0.030 . 1 . . . B 83 HIS HA . 11463 1 572 . 2 2 43 43 HIS HB2 H 1 2.962 0.030 . 2 . . . B 83 HIS HB2 . 11463 1 573 . 2 2 43 43 HIS HB3 H 1 2.837 0.030 . 2 . . . B 83 HIS HB3 . 11463 1 574 . 2 2 43 43 HIS HD2 H 1 7.461 0.030 . 1 . . . B 83 HIS HD2 . 11463 1 575 . 2 2 43 43 HIS HE1 H 1 7.737 0.030 . 1 . . . B 83 HIS HE1 . 11463 1 576 . 2 2 43 43 HIS C C 13 173.947 0.300 . 1 . . . B 83 HIS C . 11463 1 577 . 2 2 43 43 HIS CA C 13 56.839 0.300 . 1 . . . B 83 HIS CA . 11463 1 578 . 2 2 43 43 HIS CB C 13 33.734 0.300 . 1 . . . B 83 HIS CB . 11463 1 579 . 2 2 43 43 HIS CD2 C 13 118.984 0.300 . 1 . . . B 83 HIS CD2 . 11463 1 580 . 2 2 43 43 HIS CE1 C 13 138.586 0.300 . 1 . . . B 83 HIS CE1 . 11463 1 581 . 2 2 43 43 HIS N N 15 115.397 0.300 . 1 . . . B 83 HIS N . 11463 1 582 . 2 2 44 44 ILE H H 1 7.873 0.030 . 1 . . . B 84 ILE H . 11463 1 583 . 2 2 44 44 ILE HA H 1 3.966 0.030 . 1 . . . B 84 ILE HA . 11463 1 584 . 2 2 44 44 ILE HB H 1 1.196 0.030 . 1 . . . B 84 ILE HB . 11463 1 585 . 2 2 44 44 ILE HG12 H 1 0.898 0.030 . 2 . . . B 84 ILE HG12 . 11463 1 586 . 2 2 44 44 ILE HG13 H 1 0.455 0.030 . 2 . . . B 84 ILE HG13 . 11463 1 587 . 2 2 44 44 ILE HG21 H 1 0.403 0.030 . 1 . . . B 84 ILE HG21 . 11463 1 588 . 2 2 44 44 ILE HG22 H 1 0.403 0.030 . 1 . . . B 84 ILE HG22 . 11463 1 589 . 2 2 44 44 ILE HG23 H 1 0.403 0.030 . 1 . . . B 84 ILE HG23 . 11463 1 590 . 2 2 44 44 ILE HD11 H 1 0.646 0.030 . 1 . . . B 84 ILE HD11 . 11463 1 591 . 2 2 44 44 ILE HD12 H 1 0.646 0.030 . 1 . . . B 84 ILE HD12 . 11463 1 592 . 2 2 44 44 ILE HD13 H 1 0.646 0.030 . 1 . . . B 84 ILE HD13 . 11463 1 593 . 2 2 44 44 ILE C C 13 173.822 0.300 . 1 . . . B 84 ILE C . 11463 1 594 . 2 2 44 44 ILE CA C 13 57.419 0.300 . 1 . . . B 84 ILE CA . 11463 1 595 . 2 2 44 44 ILE CB C 13 36.434 0.300 . 1 . . . B 84 ILE CB . 11463 1 596 . 2 2 44 44 ILE CG1 C 13 25.686 0.300 . 1 . . . B 84 ILE CG1 . 11463 1 597 . 2 2 44 44 ILE CG2 C 13 16.622 0.300 . 1 . . . B 84 ILE CG2 . 11463 1 598 . 2 2 44 44 ILE CD1 C 13 10.124 0.300 . 1 . . . B 84 ILE CD1 . 11463 1 599 . 2 2 44 44 ILE N N 15 121.678 0.300 . 1 . . . B 84 ILE N . 11463 1 600 . 2 2 45 45 LYS H H 1 7.821 0.030 . 1 . . . B 85 LYS H . 11463 1 601 . 2 2 45 45 LYS HA H 1 4.213 0.030 . 1 . . . B 85 LYS HA . 11463 1 602 . 2 2 45 45 LYS HB2 H 1 1.710 0.030 . 2 . . . B 85 LYS HB2 . 11463 1 603 . 2 2 45 45 LYS HB3 H 1 1.665 0.030 . 2 . . . B 85 LYS HB3 . 11463 1 604 . 2 2 45 45 LYS HG2 H 1 1.419 0.030 . 2 . . . B 85 LYS HG2 . 11463 1 605 . 2 2 45 45 LYS HG3 H 1 1.321 0.030 . 2 . . . B 85 LYS HG3 . 11463 1 606 . 2 2 45 45 LYS HD2 H 1 1.579 0.030 . 1 . . . B 85 LYS HD2 . 11463 1 607 . 2 2 45 45 LYS HD3 H 1 1.579 0.030 . 1 . . . B 85 LYS HD3 . 11463 1 608 . 2 2 45 45 LYS HE2 H 1 2.886 0.030 . 1 . . . B 85 LYS HE2 . 11463 1 609 . 2 2 45 45 LYS HE3 H 1 2.886 0.030 . 1 . . . B 85 LYS HE3 . 11463 1 610 . 2 2 45 45 LYS C C 13 177.365 0.300 . 1 . . . B 85 LYS C . 11463 1 611 . 2 2 45 45 LYS CA C 13 56.726 0.300 . 1 . . . B 85 LYS CA . 11463 1 612 . 2 2 45 45 LYS CB C 13 33.028 0.300 . 1 . . . B 85 LYS CB . 11463 1 613 . 2 2 45 45 LYS CG C 13 24.640 0.300 . 1 . . . B 85 LYS CG . 11463 1 614 . 2 2 45 45 LYS CD C 13 28.365 0.300 . 1 . . . B 85 LYS CD . 11463 1 615 . 2 2 45 45 LYS CE C 13 42.031 0.300 . 1 . . . B 85 LYS CE . 11463 1 616 . 2 2 45 45 LYS N N 15 123.834 0.300 . 1 . . . B 85 LYS N . 11463 1 617 . 2 2 46 46 LYS H H 1 8.498 0.030 . 1 . . . B 86 LYS H . 11463 1 618 . 2 2 46 46 LYS HA H 1 4.622 0.030 . 1 . . . B 86 LYS HA . 11463 1 619 . 2 2 46 46 LYS HB2 H 1 1.871 0.030 . 2 . . . B 86 LYS HB2 . 11463 1 620 . 2 2 46 46 LYS HB3 H 1 1.451 0.030 . 2 . . . B 86 LYS HB3 . 11463 1 621 . 2 2 46 46 LYS HG2 H 1 1.081 0.030 . 2 . . . B 86 LYS HG2 . 11463 1 622 . 2 2 46 46 LYS HG3 H 1 1.196 0.030 . 2 . . . B 86 LYS HG3 . 11463 1 623 . 2 2 46 46 LYS HD2 H 1 1.595 0.030 . 2 . . . B 86 LYS HD2 . 11463 1 624 . 2 2 46 46 LYS HD3 H 1 1.511 0.030 . 2 . . . B 86 LYS HD3 . 11463 1 625 . 2 2 46 46 LYS HE2 H 1 2.661 0.030 . 2 . . . B 86 LYS HE2 . 11463 1 626 . 2 2 46 46 LYS HE3 H 1 2.787 0.030 . 2 . . . B 86 LYS HE3 . 11463 1 627 . 2 2 46 46 LYS C C 13 176.46 0.300 . 1 . . . B 86 LYS C . 11463 1 628 . 2 2 46 46 LYS CA C 13 53.064 0.300 . 1 . . . B 86 LYS CA . 11463 1 629 . 2 2 46 46 LYS CB C 13 33.978 0.300 . 1 . . . B 86 LYS CB . 11463 1 630 . 2 2 46 46 LYS CG C 13 25.047 0.300 . 1 . . . B 86 LYS CG . 11463 1 631 . 2 2 46 46 LYS CD C 13 29.542 0.300 . 1 . . . B 86 LYS CD . 11463 1 632 . 2 2 46 46 LYS CE C 13 42.103 0.300 . 1 . . . B 86 LYS CE . 11463 1 633 . 2 2 46 46 LYS N N 15 120.851 0.300 . 1 . . . B 86 LYS N . 11463 1 634 . 2 2 47 47 PRO HA H 1 4.005 0.030 . 1 . . . B 87 PRO HA . 11463 1 635 . 2 2 47 47 PRO HB2 H 1 2.365 0.030 . 2 . . . B 87 PRO HB2 . 11463 1 636 . 2 2 47 47 PRO HB3 H 1 1.959 0.030 . 2 . . . B 87 PRO HB3 . 11463 1 637 . 2 2 47 47 PRO HG2 H 1 2.121 0.030 . 2 . . . B 87 PRO HG2 . 11463 1 638 . 2 2 47 47 PRO HG3 H 1 1.708 0.030 . 2 . . . B 87 PRO HG3 . 11463 1 639 . 2 2 47 47 PRO HD2 H 1 3.296 0.030 . 2 . . . B 87 PRO HD2 . 11463 1 640 . 2 2 47 47 PRO HD3 H 1 3.596 0.030 . 2 . . . B 87 PRO HD3 . 11463 1 641 . 2 2 47 47 PRO C C 13 173.841 0.300 . 1 . . . B 87 PRO C . 11463 1 642 . 2 2 47 47 PRO CA C 13 62.855 0.300 . 1 . . . B 87 PRO CA . 11463 1 643 . 2 2 47 47 PRO CB C 13 32.380 0.300 . 1 . . . B 87 PRO CB . 11463 1 644 . 2 2 47 47 PRO CG C 13 27.815 0.300 . 1 . . . B 87 PRO CG . 11463 1 645 . 2 2 47 47 PRO CD C 13 50.233 0.300 . 1 . . . B 87 PRO CD . 11463 1 646 . 2 2 48 48 MET H H 1 8.497 0.030 . 1 . . . B 88 MET H . 11463 1 647 . 2 2 48 48 MET HA H 1 4.904 0.030 . 1 . . . B 88 MET HA . 11463 1 648 . 2 2 48 48 MET HB2 H 1 1.974 0.030 . 2 . . . B 88 MET HB2 . 11463 1 649 . 2 2 48 48 MET HB3 H 1 1.273 0.030 . 2 . . . B 88 MET HB3 . 11463 1 650 . 2 2 48 48 MET HG2 H 1 2.914 0.030 . 2 . . . B 88 MET HG2 . 11463 1 651 . 2 2 48 48 MET HG3 H 1 1.906 0.030 . 2 . . . B 88 MET HG3 . 11463 1 652 . 2 2 48 48 MET HE1 H 1 2.019 0.030 . 1 . . . B 88 MET HE1 . 11463 1 653 . 2 2 48 48 MET HE2 H 1 2.019 0.030 . 1 . . . B 88 MET HE2 . 11463 1 654 . 2 2 48 48 MET HE3 H 1 2.019 0.030 . 1 . . . B 88 MET HE3 . 11463 1 655 . 2 2 48 48 MET C C 13 172.262 0.300 . 1 . . . B 88 MET C . 11463 1 656 . 2 2 48 48 MET CA C 13 53.344 0.300 . 1 . . . B 88 MET CA . 11463 1 657 . 2 2 48 48 MET CB C 13 31.707 0.300 . 1 . . . B 88 MET CB . 11463 1 658 . 2 2 48 48 MET CG C 13 30.495 0.300 . 1 . . . B 88 MET CG . 11463 1 659 . 2 2 48 48 MET CE C 13 14.064 0.300 . 1 . . . B 88 MET CE . 11463 1 660 . 2 2 48 48 MET N N 15 118.669 0.300 . 1 . . . B 88 MET N . 11463 1 661 . 2 2 49 49 ASP H H 1 7.239 0.030 . 1 . . . B 89 ASP H . 11463 1 662 . 2 2 49 49 ASP HA H 1 4.380 0.030 . 1 . . . B 89 ASP HA . 11463 1 663 . 2 2 49 49 ASP HB2 H 1 2.313 0.030 . 2 . . . B 89 ASP HB2 . 11463 1 664 . 2 2 49 49 ASP HB3 H 1 2.411 0.030 . 2 . . . B 89 ASP HB3 . 11463 1 665 . 2 2 49 49 ASP C C 13 175.160 0.300 . 1 . . . B 89 ASP C . 11463 1 666 . 2 2 49 49 ASP CA C 13 53.403 0.300 . 1 . . . B 89 ASP CA . 11463 1 667 . 2 2 49 49 ASP CB C 13 43.440 0.300 . 1 . . . B 89 ASP CB . 11463 1 668 . 2 2 49 49 ASP N N 15 117.810 0.300 . 1 . . . B 89 ASP N . 11463 1 669 . 2 2 50 50 PHE H H 1 9.126 0.030 . 1 . . . B 90 PHE H . 11463 1 670 . 2 2 50 50 PHE HA H 1 4.461 0.030 . 1 . . . B 90 PHE HA . 11463 1 671 . 2 2 50 50 PHE HB2 H 1 3.269 0.030 . 2 . . . B 90 PHE HB2 . 11463 1 672 . 2 2 50 50 PHE HB3 H 1 3.106 0.030 . 2 . . . B 90 PHE HB3 . 11463 1 673 . 2 2 50 50 PHE HD1 H 1 7.371 0.030 . 1 . . . B 90 PHE HD1 . 11463 1 674 . 2 2 50 50 PHE HD2 H 1 7.371 0.030 . 1 . . . B 90 PHE HD2 . 11463 1 675 . 2 2 50 50 PHE HE1 H 1 7.330 0.030 . 1 . . . B 90 PHE HE1 . 11463 1 676 . 2 2 50 50 PHE HE2 H 1 7.330 0.030 . 1 . . . B 90 PHE HE2 . 11463 1 677 . 2 2 50 50 PHE HZ H 1 7.132 0.030 . 1 . . . B 90 PHE HZ . 11463 1 678 . 2 2 50 50 PHE C C 13 177.506 0.300 . 1 . . . B 90 PHE C . 11463 1 679 . 2 2 50 50 PHE CA C 13 62.048 0.300 . 1 . . . B 90 PHE CA . 11463 1 680 . 2 2 50 50 PHE CB C 13 38.801 0.300 . 1 . . . B 90 PHE CB . 11463 1 681 . 2 2 50 50 PHE CD1 C 13 131.811 0.300 . 1 . . . B 90 PHE CD1 . 11463 1 682 . 2 2 50 50 PHE CD2 C 13 131.811 0.300 . 1 . . . B 90 PHE CD2 . 11463 1 683 . 2 2 50 50 PHE CE1 C 13 130.529 0.300 . 1 . . . B 90 PHE CE1 . 11463 1 684 . 2 2 50 50 PHE CE2 C 13 130.529 0.300 . 1 . . . B 90 PHE CE2 . 11463 1 685 . 2 2 50 50 PHE CZ C 13 128.530 0.300 . 1 . . . B 90 PHE CZ . 11463 1 686 . 2 2 50 50 PHE N N 15 117.860 0.300 . 1 . . . B 90 PHE N . 11463 1 687 . 2 2 51 51 PHE H H 1 8.925 0.030 . 1 . . . B 91 PHE H . 11463 1 688 . 2 2 51 51 PHE HA H 1 4.389 0.030 . 1 . . . B 91 PHE HA . 11463 1 689 . 2 2 51 51 PHE HB2 H 1 3.639 0.030 . 2 . . . B 91 PHE HB2 . 11463 1 690 . 2 2 51 51 PHE HB3 H 1 3.514 0.030 . 2 . . . B 91 PHE HB3 . 11463 1 691 . 2 2 51 51 PHE HD1 H 1 7.266 0.030 . 1 . . . B 91 PHE HD1 . 11463 1 692 . 2 2 51 51 PHE HD2 H 1 7.266 0.030 . 1 . . . B 91 PHE HD2 . 11463 1 693 . 2 2 51 51 PHE HE1 H 1 7.277 0.030 . 1 . . . B 91 PHE HE1 . 11463 1 694 . 2 2 51 51 PHE HE2 H 1 7.277 0.030 . 1 . . . B 91 PHE HE2 . 11463 1 695 . 2 2 51 51 PHE HZ H 1 7.221 0.030 . 1 . . . B 91 PHE HZ . 11463 1 696 . 2 2 51 51 PHE C C 13 178.357 0.300 . 1 . . . B 91 PHE C . 11463 1 697 . 2 2 51 51 PHE CA C 13 62.067 0.300 . 1 . . . B 91 PHE CA . 11463 1 698 . 2 2 51 51 PHE CB C 13 38.341 0.300 . 1 . . . B 91 PHE CB . 11463 1 699 . 2 2 51 51 PHE CD1 C 13 131.551 0.300 . 1 . . . B 91 PHE CD1 . 11463 1 700 . 2 2 51 51 PHE CD2 C 13 131.551 0.300 . 1 . . . B 91 PHE CD2 . 11463 1 701 . 2 2 51 51 PHE CE1 C 13 131.626 0.300 . 1 . . . B 91 PHE CE1 . 11463 1 702 . 2 2 51 51 PHE CE2 C 13 131.626 0.300 . 1 . . . B 91 PHE CE2 . 11463 1 703 . 2 2 51 51 PHE CZ C 13 129.674 0.300 . 1 . . . B 91 PHE CZ . 11463 1 704 . 2 2 51 51 PHE N N 15 126.499 0.300 . 1 . . . B 91 PHE N . 11463 1 705 . 2 2 52 52 THR H H 1 9.250 0.030 . 1 . . . B 92 THR H . 11463 1 706 . 2 2 52 52 THR HA H 1 3.624 0.030 . 1 . . . B 92 THR HA . 11463 1 707 . 2 2 52 52 THR HB H 1 4.148 0.030 . 1 . . . B 92 THR HB . 11463 1 708 . 2 2 52 52 THR HG21 H 1 1.131 0.030 . 1 . . . B 92 THR HG21 . 11463 1 709 . 2 2 52 52 THR HG22 H 1 1.131 0.030 . 1 . . . B 92 THR HG22 . 11463 1 710 . 2 2 52 52 THR HG23 H 1 1.131 0.030 . 1 . . . B 92 THR HG23 . 11463 1 711 . 2 2 52 52 THR C C 13 176.914 0.300 . 1 . . . B 92 THR C . 11463 1 712 . 2 2 52 52 THR CA C 13 67.176 0.300 . 1 . . . B 92 THR CA . 11463 1 713 . 2 2 52 52 THR CB C 13 67.582 0.300 . 1 . . . B 92 THR CB . 11463 1 714 . 2 2 52 52 THR CG2 C 13 22.135 0.300 . 1 . . . B 92 THR CG2 . 11463 1 715 . 2 2 52 52 THR N N 15 121.854 0.300 . 1 . . . B 92 THR N . 11463 1 716 . 2 2 53 53 MET H H 1 8.087 0.030 . 1 . . . B 93 MET H . 11463 1 717 . 2 2 53 53 MET HA H 1 4.389 0.030 . 1 . . . B 93 MET HA . 11463 1 718 . 2 2 53 53 MET HB2 H 1 2.686 0.030 . 2 . . . B 93 MET HB2 . 11463 1 719 . 2 2 53 53 MET HB3 H 1 2.627 0.030 . 2 . . . B 93 MET HB3 . 11463 1 720 . 2 2 53 53 MET HG2 H 1 2.251 0.030 . 2 . . . B 93 MET HG2 . 11463 1 721 . 2 2 53 53 MET HG3 H 1 2.177 0.030 . 2 . . . B 93 MET HG3 . 11463 1 722 . 2 2 53 53 MET HE1 H 1 1.193 0.030 . 1 . . . B 93 MET HE1 . 11463 1 723 . 2 2 53 53 MET HE2 H 1 1.193 0.030 . 1 . . . B 93 MET HE2 . 11463 1 724 . 2 2 53 53 MET HE3 H 1 1.193 0.030 . 1 . . . B 93 MET HE3 . 11463 1 725 . 2 2 53 53 MET C C 13 178.313 0.300 . 1 . . . B 93 MET C . 11463 1 726 . 2 2 53 53 MET CA C 13 60.870 0.300 . 1 . . . B 93 MET CA . 11463 1 727 . 2 2 53 53 MET CB C 13 33.526 0.300 . 1 . . . B 93 MET CB . 11463 1 728 . 2 2 53 53 MET CG C 13 33.599 0.300 . 1 . . . B 93 MET CG . 11463 1 729 . 2 2 53 53 MET CE C 13 16.251 0.300 . 1 . . . B 93 MET CE . 11463 1 730 . 2 2 53 53 MET N N 15 119.608 0.300 . 1 . . . B 93 MET N . 11463 1 731 . 2 2 54 54 LYS H H 1 8.187 0.030 . 1 . . . B 94 LYS H . 11463 1 732 . 2 2 54 54 LYS HA H 1 3.879 0.030 . 1 . . . B 94 LYS HA . 11463 1 733 . 2 2 54 54 LYS HB2 H 1 2.146 0.030 . 2 . . . B 94 LYS HB2 . 11463 1 734 . 2 2 54 54 LYS HB3 H 1 1.922 0.030 . 2 . . . B 94 LYS HB3 . 11463 1 735 . 2 2 54 54 LYS HG2 H 1 1.434 0.030 . 1 . . . B 94 LYS HG2 . 11463 1 736 . 2 2 54 54 LYS HG3 H 1 1.434 0.030 . 1 . . . B 94 LYS HG3 . 11463 1 737 . 2 2 54 54 LYS HD2 H 1 1.820 0.030 . 2 . . . B 94 LYS HD2 . 11463 1 738 . 2 2 54 54 LYS HD3 H 1 1.668 0.030 . 2 . . . B 94 LYS HD3 . 11463 1 739 . 2 2 54 54 LYS HE2 H 1 2.961 0.030 . 2 . . . B 94 LYS HE2 . 11463 1 740 . 2 2 54 54 LYS HE3 H 1 2.929 0.030 . 2 . . . B 94 LYS HE3 . 11463 1 741 . 2 2 54 54 LYS C C 13 178.053 0.300 . 1 . . . B 94 LYS C . 11463 1 742 . 2 2 54 54 LYS CA C 13 59.328 0.300 . 1 . . . B 94 LYS CA . 11463 1 743 . 2 2 54 54 LYS CB C 13 31.709 0.300 . 1 . . . B 94 LYS CB . 11463 1 744 . 2 2 54 54 LYS CG C 13 24.952 0.300 . 1 . . . B 94 LYS CG . 11463 1 745 . 2 2 54 54 LYS CD C 13 29.184 0.300 . 1 . . . B 94 LYS CD . 11463 1 746 . 2 2 54 54 LYS CE C 13 42.366 0.300 . 1 . . . B 94 LYS CE . 11463 1 747 . 2 2 54 54 LYS N N 15 121.063 0.300 . 1 . . . B 94 LYS N . 11463 1 748 . 2 2 55 55 GLN H H 1 7.999 0.030 . 1 . . . B 95 GLN H . 11463 1 749 . 2 2 55 55 GLN HA H 1 3.740 0.030 . 1 . . . B 95 GLN HA . 11463 1 750 . 2 2 55 55 GLN HB2 H 1 2.016 0.030 . 2 . . . B 95 GLN HB2 . 11463 1 751 . 2 2 55 55 GLN HB3 H 1 1.853 0.030 . 2 . . . B 95 GLN HB3 . 11463 1 752 . 2 2 55 55 GLN HG2 H 1 1.952 0.030 . 2 . . . B 95 GLN HG2 . 11463 1 753 . 2 2 55 55 GLN HG3 H 1 1.823 0.030 . 2 . . . B 95 GLN HG3 . 11463 1 754 . 2 2 55 55 GLN HE21 H 1 6.871 0.030 . 2 . . . B 95 GLN HE21 . 11463 1 755 . 2 2 55 55 GLN HE22 H 1 6.936 0.030 . 2 . . . B 95 GLN HE22 . 11463 1 756 . 2 2 55 55 GLN C C 13 179.751 0.300 . 1 . . . B 95 GLN C . 11463 1 757 . 2 2 55 55 GLN CA C 13 58.329 0.300 . 1 . . . B 95 GLN CA . 11463 1 758 . 2 2 55 55 GLN CB C 13 28.318 0.300 . 1 . . . B 95 GLN CB . 11463 1 759 . 2 2 55 55 GLN CG C 13 33.927 0.300 . 1 . . . B 95 GLN CG . 11463 1 760 . 2 2 55 55 GLN N N 15 117.916 0.300 . 1 . . . B 95 GLN N . 11463 1 761 . 2 2 55 55 GLN NE2 N 15 114.289 0.300 . 1 . . . B 95 GLN NE2 . 11463 1 762 . 2 2 56 56 ASN H H 1 8.598 0.030 . 1 . . . B 96 ASN H . 11463 1 763 . 2 2 56 56 ASN HA H 1 4.019 0.030 . 1 . . . B 96 ASN HA . 11463 1 764 . 2 2 56 56 ASN HB2 H 1 3.175 0.030 . 2 . . . B 96 ASN HB2 . 11463 1 765 . 2 2 56 56 ASN HB3 H 1 1.722 0.030 . 2 . . . B 96 ASN HB3 . 11463 1 766 . 2 2 56 56 ASN HD21 H 1 6.614 0.030 . 2 . . . B 96 ASN HD21 . 11463 1 767 . 2 2 56 56 ASN HD22 H 1 6.991 0.030 . 2 . . . B 96 ASN HD22 . 11463 1 768 . 2 2 56 56 ASN C C 13 176.586 0.300 . 1 . . . B 96 ASN C . 11463 1 769 . 2 2 56 56 ASN CA C 13 55.207 0.300 . 1 . . . B 96 ASN CA . 11463 1 770 . 2 2 56 56 ASN CB C 13 37.377 0.300 . 1 . . . B 96 ASN CB . 11463 1 771 . 2 2 56 56 ASN N N 15 119.264 0.300 . 1 . . . B 96 ASN N . 11463 1 772 . 2 2 56 56 ASN ND2 N 15 107.880 0.300 . 1 . . . B 96 ASN ND2 . 11463 1 773 . 2 2 57 57 LEU H H 1 8.833 0.030 . 1 . . . B 97 LEU H . 11463 1 774 . 2 2 57 57 LEU HA H 1 4.274 0.030 . 1 . . . B 97 LEU HA . 11463 1 775 . 2 2 57 57 LEU HB2 H 1 2.231 0.030 . 2 . . . B 97 LEU HB2 . 11463 1 776 . 2 2 57 57 LEU HB3 H 1 1.974 0.030 . 2 . . . B 97 LEU HB3 . 11463 1 777 . 2 2 57 57 LEU HG H 1 1.777 0.030 . 1 . . . B 97 LEU HG . 11463 1 778 . 2 2 57 57 LEU HD11 H 1 0.941 0.030 . 1 . . . B 97 LEU HD11 . 11463 1 779 . 2 2 57 57 LEU HD12 H 1 0.941 0.030 . 1 . . . B 97 LEU HD12 . 11463 1 780 . 2 2 57 57 LEU HD13 H 1 0.941 0.030 . 1 . . . B 97 LEU HD13 . 11463 1 781 . 2 2 57 57 LEU HD21 H 1 0.871 0.030 . 1 . . . B 97 LEU HD21 . 11463 1 782 . 2 2 57 57 LEU HD22 H 1 0.871 0.030 . 1 . . . B 97 LEU HD22 . 11463 1 783 . 2 2 57 57 LEU HD23 H 1 0.871 0.030 . 1 . . . B 97 LEU HD23 . 11463 1 784 . 2 2 57 57 LEU C C 13 181.064 0.300 . 1 . . . B 97 LEU C . 11463 1 785 . 2 2 57 57 LEU CA C 13 57.968 0.300 . 1 . . . B 97 LEU CA . 11463 1 786 . 2 2 57 57 LEU CB C 13 42.744 0.300 . 1 . . . B 97 LEU CB . 11463 1 787 . 2 2 57 57 LEU CG C 13 27.556 0.300 . 1 . . . B 97 LEU CG . 11463 1 788 . 2 2 57 57 LEU CD1 C 13 27.555 0.300 . 2 . . . B 97 LEU CD1 . 11463 1 789 . 2 2 57 57 LEU CD2 C 13 25.918 0.300 . 2 . . . B 97 LEU CD2 . 11463 1 790 . 2 2 57 57 LEU N N 15 123.624 0.300 . 1 . . . B 97 LEU N . 11463 1 791 . 2 2 58 58 GLU H H 1 8.131 0.030 . 1 . . . B 98 GLU H . 11463 1 792 . 2 2 58 58 GLU HA H 1 4.064 0.030 . 1 . . . B 98 GLU HA . 11463 1 793 . 2 2 58 58 GLU HB2 H 1 2.079 0.030 . 2 . . . B 98 GLU HB2 . 11463 1 794 . 2 2 58 58 GLU HB3 H 1 1.742 0.030 . 2 . . . B 98 GLU HB3 . 11463 1 795 . 2 2 58 58 GLU HG2 H 1 2.494 0.030 . 2 . . . B 98 GLU HG2 . 11463 1 796 . 2 2 58 58 GLU HG3 H 1 2.414 0.030 . 2 . . . B 98 GLU HG3 . 11463 1 797 . 2 2 58 58 GLU C C 13 176.550 0.300 . 1 . . . B 98 GLU C . 11463 1 798 . 2 2 58 58 GLU CA C 13 56.931 0.300 . 1 . . . B 98 GLU CA . 11463 1 799 . 2 2 58 58 GLU CB C 13 28.216 0.300 . 1 . . . B 98 GLU CB . 11463 1 800 . 2 2 58 58 GLU CG C 13 34.945 0.300 . 1 . . . B 98 GLU CG . 11463 1 801 . 2 2 58 58 GLU N N 15 117.143 0.300 . 1 . . . B 98 GLU N . 11463 1 802 . 2 2 59 59 ALA H H 1 7.236 0.030 . 1 . . . B 99 ALA H . 11463 1 803 . 2 2 59 59 ALA HA H 1 4.295 0.030 . 1 . . . B 99 ALA HA . 11463 1 804 . 2 2 59 59 ALA HB1 H 1 1.340 0.030 . 1 . . . B 99 ALA HB1 . 11463 1 805 . 2 2 59 59 ALA HB2 H 1 1.340 0.030 . 1 . . . B 99 ALA HB2 . 11463 1 806 . 2 2 59 59 ALA HB3 H 1 1.340 0.030 . 1 . . . B 99 ALA HB3 . 11463 1 807 . 2 2 59 59 ALA C C 13 176.121 0.300 . 1 . . . B 99 ALA C . 11463 1 808 . 2 2 59 59 ALA CA C 13 51.111 0.300 . 1 . . . B 99 ALA CA . 11463 1 809 . 2 2 59 59 ALA CB C 13 18.174 0.300 . 1 . . . B 99 ALA CB . 11463 1 810 . 2 2 59 59 ALA N N 15 119.206 0.300 . 1 . . . B 99 ALA N . 11463 1 811 . 2 2 60 60 TYR H H 1 7.709 0.030 . 1 . . . B 100 TYR H . 11463 1 812 . 2 2 60 60 TYR HA H 1 4.398 0.030 . 1 . . . B 100 TYR HA . 11463 1 813 . 2 2 60 60 TYR HB2 H 1 3.292 0.030 . 2 . . . B 100 TYR HB2 . 11463 1 814 . 2 2 60 60 TYR HB3 H 1 3.168 0.030 . 2 . . . B 100 TYR HB3 . 11463 1 815 . 2 2 60 60 TYR HD1 H 1 7.016 0.030 . 1 . . . B 100 TYR HD1 . 11463 1 816 . 2 2 60 60 TYR HD2 H 1 7.016 0.030 . 1 . . . B 100 TYR HD2 . 11463 1 817 . 2 2 60 60 TYR HE1 H 1 6.800 0.030 . 1 . . . B 100 TYR HE1 . 11463 1 818 . 2 2 60 60 TYR HE2 H 1 6.800 0.030 . 1 . . . B 100 TYR HE2 . 11463 1 819 . 2 2 60 60 TYR C C 13 176.081 0.300 . 1 . . . B 100 TYR C . 11463 1 820 . 2 2 60 60 TYR CA C 13 58.797 0.300 . 1 . . . B 100 TYR CA . 11463 1 821 . 2 2 60 60 TYR CB C 13 33.871 0.300 . 1 . . . B 100 TYR CB . 11463 1 822 . 2 2 60 60 TYR CD1 C 13 132.466 0.300 . 1 . . . B 100 TYR CD1 . 11463 1 823 . 2 2 60 60 TYR CD2 C 13 132.466 0.300 . 1 . . . B 100 TYR CD2 . 11463 1 824 . 2 2 60 60 TYR CE1 C 13 118.076 0.300 . 1 . . . B 100 TYR CE1 . 11463 1 825 . 2 2 60 60 TYR CE2 C 13 118.076 0.300 . 1 . . . B 100 TYR CE2 . 11463 1 826 . 2 2 60 60 TYR N N 15 114.150 0.300 . 1 . . . B 100 TYR N . 11463 1 827 . 2 2 61 61 ARG H H 1 7.847 0.030 . 1 . . . B 101 ARG H . 11463 1 828 . 2 2 61 61 ARG HA H 1 4.080 0.030 . 1 . . . B 101 ARG HA . 11463 1 829 . 2 2 61 61 ARG HB2 H 1 1.438 0.030 . 2 . . . B 101 ARG HB2 . 11463 1 830 . 2 2 61 61 ARG HB3 H 1 0.959 0.030 . 2 . . . B 101 ARG HB3 . 11463 1 831 . 2 2 61 61 ARG HG2 H 1 1.429 0.030 . 2 . . . B 101 ARG HG2 . 11463 1 832 . 2 2 61 61 ARG HG3 H 1 1.395 0.030 . 2 . . . B 101 ARG HG3 . 11463 1 833 . 2 2 61 61 ARG HD2 H 1 3.001 0.030 . 2 . . . B 101 ARG HD2 . 11463 1 834 . 2 2 61 61 ARG HD3 H 1 2.895 0.030 . 2 . . . B 101 ARG HD3 . 11463 1 835 . 2 2 61 61 ARG HE H 1 7.099 0.030 . 1 . . . B 101 ARG HE . 11463 1 836 . 2 2 61 61 ARG C C 13 177.252 0.300 . 1 . . . B 101 ARG C . 11463 1 837 . 2 2 61 61 ARG CA C 13 56.792 0.300 . 1 . . . B 101 ARG CA . 11463 1 838 . 2 2 61 61 ARG CB C 13 30.113 0.300 . 1 . . . B 101 ARG CB . 11463 1 839 . 2 2 61 61 ARG CG C 13 28.369 0.300 . 1 . . . B 101 ARG CG . 11463 1 840 . 2 2 61 61 ARG CD C 13 42.641 0.300 . 1 . . . B 101 ARG CD . 11463 1 841 . 2 2 61 61 ARG N N 15 113.148 0.300 . 1 . . . B 101 ARG N . 11463 1 842 . 2 2 61 61 ARG NE N 15 84.191 0.300 . 1 . . . B 101 ARG NE . 11463 1 843 . 2 2 62 62 TYR H H 1 8.406 0.030 . 1 . . . B 102 TYR H . 11463 1 844 . 2 2 62 62 TYR HA H 1 5.087 0.030 . 1 . . . B 102 TYR HA . 11463 1 845 . 2 2 62 62 TYR HB2 H 1 3.078 0.030 . 2 . . . B 102 TYR HB2 . 11463 1 846 . 2 2 62 62 TYR HB3 H 1 2.878 0.030 . 2 . . . B 102 TYR HB3 . 11463 1 847 . 2 2 62 62 TYR HD1 H 1 6.909 0.030 . 1 . . . B 102 TYR HD1 . 11463 1 848 . 2 2 62 62 TYR HD2 H 1 6.909 0.030 . 1 . . . B 102 TYR HD2 . 11463 1 849 . 2 2 62 62 TYR HE1 H 1 7.098 0.030 . 1 . . . B 102 TYR HE1 . 11463 1 850 . 2 2 62 62 TYR HE2 H 1 7.098 0.030 . 1 . . . B 102 TYR HE2 . 11463 1 851 . 2 2 62 62 TYR C C 13 174.516 0.300 . 1 . . . B 102 TYR C . 11463 1 852 . 2 2 62 62 TYR CA C 13 55.378 0.300 . 1 . . . B 102 TYR CA . 11463 1 853 . 2 2 62 62 TYR CB C 13 37.391 0.300 . 1 . . . B 102 TYR CB . 11463 1 854 . 2 2 62 62 TYR CD1 C 13 131.250 0.300 . 1 . . . B 102 TYR CD1 . 11463 1 855 . 2 2 62 62 TYR CD2 C 13 131.250 0.300 . 1 . . . B 102 TYR CD2 . 11463 1 856 . 2 2 62 62 TYR CE1 C 13 118.666 0.300 . 1 . . . B 102 TYR CE1 . 11463 1 857 . 2 2 62 62 TYR CE2 C 13 118.666 0.300 . 1 . . . B 102 TYR CE2 . 11463 1 858 . 2 2 62 62 TYR N N 15 118.608 0.300 . 1 . . . B 102 TYR N . 11463 1 859 . 2 2 63 63 LEU H H 1 9.240 0.030 . 1 . . . B 103 LEU H . 11463 1 860 . 2 2 63 63 LEU HA H 1 4.425 0.030 . 1 . . . B 103 LEU HA . 11463 1 861 . 2 2 63 63 LEU HB2 H 1 1.710 0.030 . 2 . . . B 103 LEU HB2 . 11463 1 862 . 2 2 63 63 LEU HB3 H 1 1.593 0.030 . 2 . . . B 103 LEU HB3 . 11463 1 863 . 2 2 63 63 LEU HG H 1 1.620 0.030 . 1 . . . B 103 LEU HG . 11463 1 864 . 2 2 63 63 LEU HD11 H 1 0.918 0.030 . 1 . . . B 103 LEU HD11 . 11463 1 865 . 2 2 63 63 LEU HD12 H 1 0.918 0.030 . 1 . . . B 103 LEU HD12 . 11463 1 866 . 2 2 63 63 LEU HD13 H 1 0.918 0.030 . 1 . . . B 103 LEU HD13 . 11463 1 867 . 2 2 63 63 LEU HD21 H 1 0.840 0.030 . 1 . . . B 103 LEU HD21 . 11463 1 868 . 2 2 63 63 LEU HD22 H 1 0.840 0.030 . 1 . . . B 103 LEU HD22 . 11463 1 869 . 2 2 63 63 LEU HD23 H 1 0.840 0.030 . 1 . . . B 103 LEU HD23 . 11463 1 870 . 2 2 63 63 LEU C C 13 176.609 0.300 . 1 . . . B 103 LEU C . 11463 1 871 . 2 2 63 63 LEU CA C 13 54.921 0.300 . 1 . . . B 103 LEU CA . 11463 1 872 . 2 2 63 63 LEU CB C 13 42.032 0.300 . 1 . . . B 103 LEU CB . 11463 1 873 . 2 2 63 63 LEU CG C 13 27.350 0.300 . 1 . . . B 103 LEU CG . 11463 1 874 . 2 2 63 63 LEU CD1 C 13 25.074 0.300 . 2 . . . B 103 LEU CD1 . 11463 1 875 . 2 2 63 63 LEU CD2 C 13 22.834 0.300 . 2 . . . B 103 LEU CD2 . 11463 1 876 . 2 2 63 63 LEU N N 15 123.966 0.300 . 1 . . . B 103 LEU N . 11463 1 877 . 2 2 64 64 ASN H H 1 7.951 0.030 . 1 . . . B 104 ASN H . 11463 1 878 . 2 2 64 64 ASN HA H 1 4.495 0.030 . 1 . . . B 104 ASN HA . 11463 1 879 . 2 2 64 64 ASN HB2 H 1 2.926 0.030 . 2 . . . B 104 ASN HB2 . 11463 1 880 . 2 2 64 64 ASN HB3 H 1 2.820 0.030 . 2 . . . B 104 ASN HB3 . 11463 1 881 . 2 2 64 64 ASN HD21 H 1 6.851 0.030 . 2 . . . B 104 ASN HD21 . 11463 1 882 . 2 2 64 64 ASN HD22 H 1 7.493 0.030 . 2 . . . B 104 ASN HD22 . 11463 1 883 . 2 2 64 64 ASN C C 13 174.735 0.300 . 1 . . . B 104 ASN C . 11463 1 884 . 2 2 64 64 ASN CA C 13 51.717 0.300 . 1 . . . B 104 ASN CA . 11463 1 885 . 2 2 64 64 ASN CB C 13 40.825 0.300 . 1 . . . B 104 ASN CB . 11463 1 886 . 2 2 64 64 ASN N N 15 112.900 0.300 . 1 . . . B 104 ASN N . 11463 1 887 . 2 2 64 64 ASN ND2 N 15 114.480 0.300 . 1 . . . B 104 ASN ND2 . 11463 1 888 . 2 2 65 65 PHE H H 1 9.570 0.030 . 1 . . . B 105 PHE H . 11463 1 889 . 2 2 65 65 PHE HA H 1 3.929 0.030 . 1 . . . B 105 PHE HA . 11463 1 890 . 2 2 65 65 PHE HB2 H 1 3.083 0.030 . 2 . . . B 105 PHE HB2 . 11463 1 891 . 2 2 65 65 PHE HB3 H 1 3.038 0.030 . 2 . . . B 105 PHE HB3 . 11463 1 892 . 2 2 65 65 PHE HD1 H 1 7.019 0.030 . 1 . . . B 105 PHE HD1 . 11463 1 893 . 2 2 65 65 PHE HD2 H 1 7.019 0.030 . 1 . . . B 105 PHE HD2 . 11463 1 894 . 2 2 65 65 PHE HE1 H 1 7.043 0.030 . 1 . . . B 105 PHE HE1 . 11463 1 895 . 2 2 65 65 PHE HE2 H 1 7.043 0.030 . 1 . . . B 105 PHE HE2 . 11463 1 896 . 2 2 65 65 PHE HZ H 1 7.174 0.030 . 1 . . . B 105 PHE HZ . 11463 1 897 . 2 2 65 65 PHE C C 13 176.724 0.300 . 1 . . . B 105 PHE C . 11463 1 898 . 2 2 65 65 PHE CA C 13 62.547 0.300 . 1 . . . B 105 PHE CA . 11463 1 899 . 2 2 65 65 PHE CB C 13 40.182 0.300 . 1 . . . B 105 PHE CB . 11463 1 900 . 2 2 65 65 PHE CD1 C 13 131.354 0.300 . 1 . . . B 105 PHE CD1 . 11463 1 901 . 2 2 65 65 PHE CD2 C 13 131.354 0.300 . 1 . . . B 105 PHE CD2 . 11463 1 902 . 2 2 65 65 PHE CE1 C 13 130.182 0.300 . 1 . . . B 105 PHE CE1 . 11463 1 903 . 2 2 65 65 PHE CE2 C 13 130.182 0.300 . 1 . . . B 105 PHE CE2 . 11463 1 904 . 2 2 65 65 PHE CZ C 13 129.413 0.300 . 1 . . . B 105 PHE CZ . 11463 1 905 . 2 2 65 65 PHE N N 15 121.046 0.300 . 1 . . . B 105 PHE N . 11463 1 906 . 2 2 66 66 ASP H H 1 8.433 0.030 . 1 . . . B 106 ASP H . 11463 1 907 . 2 2 66 66 ASP HA H 1 4.316 0.030 . 1 . . . B 106 ASP HA . 11463 1 908 . 2 2 66 66 ASP HB2 H 1 2.744 0.030 . 2 . . . B 106 ASP HB2 . 11463 1 909 . 2 2 66 66 ASP HB3 H 1 2.713 0.030 . 2 . . . B 106 ASP HB3 . 11463 1 910 . 2 2 66 66 ASP C C 13 178.419 0.300 . 1 . . . B 106 ASP C . 11463 1 911 . 2 2 66 66 ASP CA C 13 58.023 0.300 . 1 . . . B 106 ASP CA . 11463 1 912 . 2 2 66 66 ASP CB C 13 39.878 0.300 . 1 . . . B 106 ASP CB . 11463 1 913 . 2 2 66 66 ASP N N 15 118.542 0.300 . 1 . . . B 106 ASP N . 11463 1 914 . 2 2 67 67 ASP H H 1 8.338 0.030 . 1 . . . B 107 ASP H . 11463 1 915 . 2 2 67 67 ASP HA H 1 4.347 0.030 . 1 . . . B 107 ASP HA . 11463 1 916 . 2 2 67 67 ASP HB2 H 1 3.062 0.030 . 2 . . . B 107 ASP HB2 . 11463 1 917 . 2 2 67 67 ASP HB3 H 1 2.809 0.030 . 2 . . . B 107 ASP HB3 . 11463 1 918 . 2 2 67 67 ASP C C 13 177.702 0.300 . 1 . . . B 107 ASP C . 11463 1 919 . 2 2 67 67 ASP CA C 13 57.299 0.300 . 1 . . . B 107 ASP CA . 11463 1 920 . 2 2 67 67 ASP CB C 13 41.077 0.300 . 1 . . . B 107 ASP CB . 11463 1 921 . 2 2 67 67 ASP N N 15 119.460 0.300 . 1 . . . B 107 ASP N . 11463 1 922 . 2 2 68 68 PHE H H 1 6.723 0.030 . 1 . . . B 108 PHE H . 11463 1 923 . 2 2 68 68 PHE HA H 1 3.100 0.030 . 1 . . . B 108 PHE HA . 11463 1 924 . 2 2 68 68 PHE HB2 H 1 2.620 0.030 . 2 . . . B 108 PHE HB2 . 11463 1 925 . 2 2 68 68 PHE HB3 H 1 2.081 0.030 . 2 . . . B 108 PHE HB3 . 11463 1 926 . 2 2 68 68 PHE HD1 H 1 6.183 0.030 . 1 . . . B 108 PHE HD1 . 11463 1 927 . 2 2 68 68 PHE HD2 H 1 6.183 0.030 . 1 . . . B 108 PHE HD2 . 11463 1 928 . 2 2 68 68 PHE HE1 H 1 6.771 0.030 . 1 . . . B 108 PHE HE1 . 11463 1 929 . 2 2 68 68 PHE HE2 H 1 6.771 0.030 . 1 . . . B 108 PHE HE2 . 11463 1 930 . 2 2 68 68 PHE HZ H 1 6.669 0.030 . 1 . . . B 108 PHE HZ . 11463 1 931 . 2 2 68 68 PHE C C 13 175.587 0.300 . 1 . . . B 108 PHE C . 11463 1 932 . 2 2 68 68 PHE CA C 13 60.080 0.300 . 1 . . . B 108 PHE CA . 11463 1 933 . 2 2 68 68 PHE CB C 13 39.015 0.300 . 1 . . . B 108 PHE CB . 11463 1 934 . 2 2 68 68 PHE CD1 C 13 131.835 0.300 . 1 . . . B 108 PHE CD1 . 11463 1 935 . 2 2 68 68 PHE CD2 C 13 131.835 0.300 . 1 . . . B 108 PHE CD2 . 11463 1 936 . 2 2 68 68 PHE CE1 C 13 129.657 0.300 . 1 . . . B 108 PHE CE1 . 11463 1 937 . 2 2 68 68 PHE CE2 C 13 129.657 0.300 . 1 . . . B 108 PHE CE2 . 11463 1 938 . 2 2 68 68 PHE CZ C 13 128.149 0.300 . 1 . . . B 108 PHE CZ . 11463 1 939 . 2 2 68 68 PHE N N 15 120.292 0.300 . 1 . . . B 108 PHE N . 11463 1 940 . 2 2 69 69 GLU H H 1 8.411 0.030 . 1 . . . B 109 GLU H . 11463 1 941 . 2 2 69 69 GLU HA H 1 3.466 0.030 . 1 . . . B 109 GLU HA . 11463 1 942 . 2 2 69 69 GLU HB2 H 1 2.087 0.030 . 1 . . . B 109 GLU HB2 . 11463 1 943 . 2 2 69 69 GLU HB3 H 1 2.087 0.030 . 1 . . . B 109 GLU HB3 . 11463 1 944 . 2 2 69 69 GLU HG2 H 1 2.288 0.030 . 1 . . . B 109 GLU HG2 . 11463 1 945 . 2 2 69 69 GLU HG3 H 1 2.288 0.030 . 1 . . . B 109 GLU HG3 . 11463 1 946 . 2 2 69 69 GLU C C 13 177.613 0.300 . 1 . . . B 109 GLU C . 11463 1 947 . 2 2 69 69 GLU CA C 13 59.750 0.300 . 1 . . . B 109 GLU CA . 11463 1 948 . 2 2 69 69 GLU CB C 13 29.371 0.300 . 1 . . . B 109 GLU CB . 11463 1 949 . 2 2 69 69 GLU CG C 13 36.815 0.300 . 1 . . . B 109 GLU CG . 11463 1 950 . 2 2 69 69 GLU N N 15 119.871 0.300 . 1 . . . B 109 GLU N . 11463 1 951 . 2 2 70 70 GLU H H 1 8.374 0.030 . 1 . . . B 110 GLU H . 11463 1 952 . 2 2 70 70 GLU HA H 1 4.039 0.030 . 1 . . . B 110 GLU HA . 11463 1 953 . 2 2 70 70 GLU HB2 H 1 2.156 0.030 . 2 . . . B 110 GLU HB2 . 11463 1 954 . 2 2 70 70 GLU HB3 H 1 2.060 0.030 . 2 . . . B 110 GLU HB3 . 11463 1 955 . 2 2 70 70 GLU HG2 H 1 2.328 0.030 . 1 . . . B 110 GLU HG2 . 11463 1 956 . 2 2 70 70 GLU HG3 H 1 2.328 0.030 . 1 . . . B 110 GLU HG3 . 11463 1 957 . 2 2 70 70 GLU C C 13 179.311 0.300 . 1 . . . B 110 GLU C . 11463 1 958 . 2 2 70 70 GLU CA C 13 59.313 0.300 . 1 . . . B 110 GLU CA . 11463 1 959 . 2 2 70 70 GLU CB C 13 29.178 0.300 . 1 . . . B 110 GLU CB . 11463 1 960 . 2 2 70 70 GLU CG C 13 36.100 0.300 . 1 . . . B 110 GLU CG . 11463 1 961 . 2 2 70 70 GLU N N 15 117.389 0.300 . 1 . . . B 110 GLU N . 11463 1 962 . 2 2 71 71 ASP H H 1 6.956 0.030 . 1 . . . B 111 ASP H . 11463 1 963 . 2 2 71 71 ASP HA H 1 4.787 0.030 . 1 . . . B 111 ASP HA . 11463 1 964 . 2 2 71 71 ASP HB2 H 1 2.730 0.030 . 2 . . . B 111 ASP HB2 . 11463 1 965 . 2 2 71 71 ASP HB3 H 1 2.560 0.030 . 2 . . . B 111 ASP HB3 . 11463 1 966 . 2 2 71 71 ASP C C 13 177.661 0.300 . 1 . . . B 111 ASP C . 11463 1 967 . 2 2 71 71 ASP CA C 13 57.208 0.300 . 1 . . . B 111 ASP CA . 11463 1 968 . 2 2 71 71 ASP CB C 13 38.266 0.300 . 1 . . . B 111 ASP CB . 11463 1 969 . 2 2 71 71 ASP N N 15 120.775 0.300 . 1 . . . B 111 ASP N . 11463 1 970 . 2 2 72 72 PHE H H 1 7.341 0.030 . 1 . . . B 112 PHE H . 11463 1 971 . 2 2 72 72 PHE HA H 1 3.804 0.030 . 1 . . . B 112 PHE HA . 11463 1 972 . 2 2 72 72 PHE HB2 H 1 2.857 0.030 . 2 . . . B 112 PHE HB2 . 11463 1 973 . 2 2 72 72 PHE HB3 H 1 2.353 0.030 . 2 . . . B 112 PHE HB3 . 11463 1 974 . 2 2 72 72 PHE HD1 H 1 7.012 0.030 . 1 . . . B 112 PHE HD1 . 11463 1 975 . 2 2 72 72 PHE HD2 H 1 7.012 0.030 . 1 . . . B 112 PHE HD2 . 11463 1 976 . 2 2 72 72 PHE HE1 H 1 7.117 0.030 . 1 . . . B 112 PHE HE1 . 11463 1 977 . 2 2 72 72 PHE HE2 H 1 7.117 0.030 . 1 . . . B 112 PHE HE2 . 11463 1 978 . 2 2 72 72 PHE HZ H 1 7.091 0.030 . 1 . . . B 112 PHE HZ . 11463 1 979 . 2 2 72 72 PHE C C 13 176.444 0.300 . 1 . . . B 112 PHE C . 11463 1 980 . 2 2 72 72 PHE CA C 13 61.539 0.300 . 1 . . . B 112 PHE CA . 11463 1 981 . 2 2 72 72 PHE CB C 13 37.921 0.300 . 1 . . . B 112 PHE CB . 11463 1 982 . 2 2 72 72 PHE CD1 C 13 132.467 0.300 . 1 . . . B 112 PHE CD1 . 11463 1 983 . 2 2 72 72 PHE CD2 C 13 132.467 0.300 . 1 . . . B 112 PHE CD2 . 11463 1 984 . 2 2 72 72 PHE CE1 C 13 130.166 0.300 . 1 . . . B 112 PHE CE1 . 11463 1 985 . 2 2 72 72 PHE CE2 C 13 130.166 0.300 . 1 . . . B 112 PHE CE2 . 11463 1 986 . 2 2 72 72 PHE CZ C 13 128.531 0.300 . 1 . . . B 112 PHE CZ . 11463 1 987 . 2 2 72 72 PHE N N 15 120.646 0.300 . 1 . . . B 112 PHE N . 11463 1 988 . 2 2 73 73 ASN H H 1 8.617 0.030 . 1 . . . B 113 ASN H . 11463 1 989 . 2 2 73 73 ASN HA H 1 3.894 0.030 . 1 . . . B 113 ASN HA . 11463 1 990 . 2 2 73 73 ASN HB2 H 1 2.843 0.030 . 2 . . . B 113 ASN HB2 . 11463 1 991 . 2 2 73 73 ASN HB3 H 1 2.660 0.030 . 2 . . . B 113 ASN HB3 . 11463 1 992 . 2 2 73 73 ASN HD21 H 1 7.518 0.030 . 2 . . . B 113 ASN HD21 . 11463 1 993 . 2 2 73 73 ASN HD22 H 1 6.980 0.030 . 2 . . . B 113 ASN HD22 . 11463 1 994 . 2 2 73 73 ASN C C 13 178.101 0.300 . 1 . . . B 113 ASN C . 11463 1 995 . 2 2 73 73 ASN CA C 13 55.065 0.300 . 1 . . . B 113 ASN CA . 11463 1 996 . 2 2 73 73 ASN CB C 13 37.191 0.300 . 1 . . . B 113 ASN CB . 11463 1 997 . 2 2 73 73 ASN N N 15 116.219 0.300 . 1 . . . B 113 ASN N . 11463 1 998 . 2 2 73 73 ASN ND2 N 15 110.810 0.300 . 1 . . . B 113 ASN ND2 . 11463 1 999 . 2 2 74 74 LEU H H 1 7.610 0.030 . 1 . . . B 114 LEU H . 11463 1 1000 . 2 2 74 74 LEU HA H 1 4.103 0.030 . 1 . . . B 114 LEU HA . 11463 1 1001 . 2 2 74 74 LEU HB2 H 1 1.842 0.030 . 2 . . . B 114 LEU HB2 . 11463 1 1002 . 2 2 74 74 LEU HB3 H 1 1.626 0.030 . 2 . . . B 114 LEU HB3 . 11463 1 1003 . 2 2 74 74 LEU HG H 1 1.671 0.030 . 1 . . . B 114 LEU HG . 11463 1 1004 . 2 2 74 74 LEU HD11 H 1 0.953 0.030 . 1 . . . B 114 LEU HD11 . 11463 1 1005 . 2 2 74 74 LEU HD12 H 1 0.953 0.030 . 1 . . . B 114 LEU HD12 . 11463 1 1006 . 2 2 74 74 LEU HD13 H 1 0.953 0.030 . 1 . . . B 114 LEU HD13 . 11463 1 1007 . 2 2 74 74 LEU HD21 H 1 0.867 0.030 . 1 . . . B 114 LEU HD21 . 11463 1 1008 . 2 2 74 74 LEU HD22 H 1 0.867 0.030 . 1 . . . B 114 LEU HD22 . 11463 1 1009 . 2 2 74 74 LEU HD23 H 1 0.867 0.030 . 1 . . . B 114 LEU HD23 . 11463 1 1010 . 2 2 74 74 LEU C C 13 178.086 0.300 . 1 . . . B 114 LEU C . 11463 1 1011 . 2 2 74 74 LEU CA C 13 57.049 0.300 . 1 . . . B 114 LEU CA . 11463 1 1012 . 2 2 74 74 LEU CB C 13 42.744 0.300 . 1 . . . B 114 LEU CB . 11463 1 1013 . 2 2 74 74 LEU CG C 13 26.695 0.300 . 1 . . . B 114 LEU CG . 11463 1 1014 . 2 2 74 74 LEU CD1 C 13 24.764 0.300 . 2 . . . B 114 LEU CD1 . 11463 1 1015 . 2 2 74 74 LEU CD2 C 13 24.240 0.300 . 2 . . . B 114 LEU CD2 . 11463 1 1016 . 2 2 74 74 LEU N N 15 122.583 0.300 . 1 . . . B 114 LEU N . 11463 1 1017 . 2 2 75 75 ILE H H 1 7.166 0.030 . 1 . . . B 115 ILE H . 11463 1 1018 . 2 2 75 75 ILE HA H 1 3.020 0.030 . 1 . . . B 115 ILE HA . 11463 1 1019 . 2 2 75 75 ILE HB H 1 1.483 0.030 . 1 . . . B 115 ILE HB . 11463 1 1020 . 2 2 75 75 ILE HG12 H 1 1.606 0.030 . 2 . . . B 115 ILE HG12 . 11463 1 1021 . 2 2 75 75 ILE HG13 H 1 -0.008 0.030 . 2 . . . B 115 ILE HG13 . 11463 1 1022 . 2 2 75 75 ILE HG21 H 1 0.025 0.030 . 1 . . . B 115 ILE HG21 . 11463 1 1023 . 2 2 75 75 ILE HG22 H 1 0.025 0.030 . 1 . . . B 115 ILE HG22 . 11463 1 1024 . 2 2 75 75 ILE HG23 H 1 0.025 0.030 . 1 . . . B 115 ILE HG23 . 11463 1 1025 . 2 2 75 75 ILE HD11 H 1 -0.077 0.030 . 1 . . . B 115 ILE HD11 . 11463 1 1026 . 2 2 75 75 ILE HD12 H 1 -0.077 0.030 . 1 . . . B 115 ILE HD12 . 11463 1 1027 . 2 2 75 75 ILE HD13 H 1 -0.077 0.030 . 1 . . . B 115 ILE HD13 . 11463 1 1028 . 2 2 75 75 ILE C C 13 179.100 0.300 . 1 . . . B 115 ILE C . 11463 1 1029 . 2 2 75 75 ILE CA C 13 66.519 0.300 . 1 . . . B 115 ILE CA . 11463 1 1030 . 2 2 75 75 ILE CB C 13 37.037 0.300 . 1 . . . B 115 ILE CB . 11463 1 1031 . 2 2 75 75 ILE CG1 C 13 28.784 0.300 . 1 . . . B 115 ILE CG1 . 11463 1 1032 . 2 2 75 75 ILE CG2 C 13 17.146 0.300 . 1 . . . B 115 ILE CG2 . 11463 1 1033 . 2 2 75 75 ILE CD1 C 13 14.109 0.300 . 1 . . . B 115 ILE CD1 . 11463 1 1034 . 2 2 75 75 ILE N N 15 119.003 0.300 . 1 . . . B 115 ILE N . 11463 1 1035 . 2 2 76 76 VAL H H 1 6.346 0.030 . 1 . . . B 116 VAL H . 11463 1 1036 . 2 2 76 76 VAL HA H 1 3.014 0.030 . 1 . . . B 116 VAL HA . 11463 1 1037 . 2 2 76 76 VAL HB H 1 1.706 0.030 . 1 . . . B 116 VAL HB . 11463 1 1038 . 2 2 76 76 VAL HG11 H 1 0.609 0.030 . 1 . . . B 116 VAL HG11 . 11463 1 1039 . 2 2 76 76 VAL HG12 H 1 0.609 0.030 . 1 . . . B 116 VAL HG12 . 11463 1 1040 . 2 2 76 76 VAL HG13 H 1 0.609 0.030 . 1 . . . B 116 VAL HG13 . 11463 1 1041 . 2 2 76 76 VAL HG21 H 1 0.247 0.030 . 1 . . . B 116 VAL HG21 . 11463 1 1042 . 2 2 76 76 VAL HG22 H 1 0.247 0.030 . 1 . . . B 116 VAL HG22 . 11463 1 1043 . 2 2 76 76 VAL HG23 H 1 0.247 0.030 . 1 . . . B 116 VAL HG23 . 11463 1 1044 . 2 2 76 76 VAL C C 13 177.313 0.300 . 1 . . . B 116 VAL C . 11463 1 1045 . 2 2 76 76 VAL CA C 13 66.015 0.300 . 1 . . . B 116 VAL CA . 11463 1 1046 . 2 2 76 76 VAL CB C 13 32.277 0.300 . 1 . . . B 116 VAL CB . 11463 1 1047 . 2 2 76 76 VAL CG1 C 13 21.424 0.300 . 2 . . . B 116 VAL CG1 . 11463 1 1048 . 2 2 76 76 VAL CG2 C 13 21.140 0.300 . 2 . . . B 116 VAL CG2 . 11463 1 1049 . 2 2 76 76 VAL N N 15 115.205 0.300 . 1 . . . B 116 VAL N . 11463 1 1050 . 2 2 77 77 SER H H 1 9.032 0.030 . 1 . . . B 117 SER H . 11463 1 1051 . 2 2 77 77 SER HA H 1 3.844 0.030 . 1 . . . B 117 SER HA . 11463 1 1052 . 2 2 77 77 SER HB2 H 1 3.772 0.030 . 2 . . . B 117 SER HB2 . 11463 1 1053 . 2 2 77 77 SER HB3 H 1 3.844 0.030 . 2 . . . B 117 SER HB3 . 11463 1 1054 . 2 2 77 77 SER C C 13 178.093 0.300 . 1 . . . B 117 SER C . 11463 1 1055 . 2 2 77 77 SER CA C 13 61.897 0.300 . 1 . . . B 117 SER CA . 11463 1 1056 . 2 2 77 77 SER CB C 13 61.903 0.300 . 1 . . . B 117 SER CB . 11463 1 1057 . 2 2 77 77 SER N N 15 115.762 0.300 . 1 . . . B 117 SER N . 11463 1 1058 . 2 2 78 78 ASN H H 1 9.085 0.030 . 1 . . . B 118 ASN H . 11463 1 1059 . 2 2 78 78 ASN HA H 1 4.310 0.030 . 1 . . . B 118 ASN HA . 11463 1 1060 . 2 2 78 78 ASN HB2 H 1 2.978 0.030 . 2 . . . B 118 ASN HB2 . 11463 1 1061 . 2 2 78 78 ASN HB3 H 1 2.682 0.030 . 2 . . . B 118 ASN HB3 . 11463 1 1062 . 2 2 78 78 ASN HD21 H 1 7.741 0.030 . 2 . . . B 118 ASN HD21 . 11463 1 1063 . 2 2 78 78 ASN HD22 H 1 6.833 0.030 . 2 . . . B 118 ASN HD22 . 11463 1 1064 . 2 2 78 78 ASN C C 13 175.893 0.300 . 1 . . . B 118 ASN C . 11463 1 1065 . 2 2 78 78 ASN CA C 13 54.916 0.300 . 1 . . . B 118 ASN CA . 11463 1 1066 . 2 2 78 78 ASN CB C 13 37.750 0.300 . 1 . . . B 118 ASN CB . 11463 1 1067 . 2 2 78 78 ASN N N 15 121.718 0.300 . 1 . . . B 118 ASN N . 11463 1 1068 . 2 2 78 78 ASN ND2 N 15 112.571 0.300 . 1 . . . B 118 ASN ND2 . 11463 1 1069 . 2 2 79 79 CYS H H 1 6.979 0.030 . 1 . . . B 119 CYS H . 11463 1 1070 . 2 2 79 79 CYS HA H 1 4.511 0.030 . 1 . . . B 119 CYS HA . 11463 1 1071 . 2 2 79 79 CYS HB2 H 1 3.353 0.030 . 2 . . . B 119 CYS HB2 . 11463 1 1072 . 2 2 79 79 CYS HB3 H 1 2.954 0.030 . 2 . . . B 119 CYS HB3 . 11463 1 1073 . 2 2 79 79 CYS C C 13 177.841 0.300 . 1 . . . B 119 CYS C . 11463 1 1074 . 2 2 79 79 CYS CA C 13 62.139 0.300 . 1 . . . B 119 CYS CA . 11463 1 1075 . 2 2 79 79 CYS CB C 13 26.819 0.300 . 1 . . . B 119 CYS CB . 11463 1 1076 . 2 2 79 79 CYS N N 15 120.021 0.300 . 1 . . . B 119 CYS N . 11463 1 1077 . 2 2 80 80 LEU H H 1 7.977 0.030 . 1 . . . B 120 LEU H . 11463 1 1078 . 2 2 80 80 LEU HA H 1 4.139 0.030 . 1 . . . B 120 LEU HA . 11463 1 1079 . 2 2 80 80 LEU HB2 H 1 1.661 0.030 . 2 . . . B 120 LEU HB2 . 11463 1 1080 . 2 2 80 80 LEU HB3 H 1 1.354 0.030 . 2 . . . B 120 LEU HB3 . 11463 1 1081 . 2 2 80 80 LEU HG H 1 1.653 0.030 . 1 . . . B 120 LEU HG . 11463 1 1082 . 2 2 80 80 LEU HD11 H 1 0.529 0.030 . 1 . . . B 120 LEU HD11 . 11463 1 1083 . 2 2 80 80 LEU HD12 H 1 0.529 0.030 . 1 . . . B 120 LEU HD12 . 11463 1 1084 . 2 2 80 80 LEU HD13 H 1 0.529 0.030 . 1 . . . B 120 LEU HD13 . 11463 1 1085 . 2 2 80 80 LEU HD21 H 1 -0.036 0.030 . 1 . . . B 120 LEU HD21 . 11463 1 1086 . 2 2 80 80 LEU HD22 H 1 -0.036 0.030 . 1 . . . B 120 LEU HD22 . 11463 1 1087 . 2 2 80 80 LEU HD23 H 1 -0.036 0.030 . 1 . . . B 120 LEU HD23 . 11463 1 1088 . 2 2 80 80 LEU C C 13 177.389 0.300 . 1 . . . B 120 LEU C . 11463 1 1089 . 2 2 80 80 LEU CA C 13 56.252 0.300 . 1 . . . B 120 LEU CA . 11463 1 1090 . 2 2 80 80 LEU CB C 13 40.647 0.300 . 1 . . . B 120 LEU CB . 11463 1 1091 . 2 2 80 80 LEU CG C 13 25.619 0.300 . 1 . . . B 120 LEU CG . 11463 1 1092 . 2 2 80 80 LEU CD1 C 13 26.281 0.300 . 2 . . . B 120 LEU CD1 . 11463 1 1093 . 2 2 80 80 LEU CD2 C 13 22.867 0.300 . 2 . . . B 120 LEU CD2 . 11463 1 1094 . 2 2 80 80 LEU N N 15 117.094 0.300 . 1 . . . B 120 LEU N . 11463 1 1095 . 2 2 81 81 LYS H H 1 7.721 0.030 . 1 . . . B 121 LYS H . 11463 1 1096 . 2 2 81 81 LYS HA H 1 4.234 0.030 . 1 . . . B 121 LYS HA . 11463 1 1097 . 2 2 81 81 LYS HB2 H 1 1.906 0.030 . 1 . . . B 121 LYS HB2 . 11463 1 1098 . 2 2 81 81 LYS HB3 H 1 1.906 0.030 . 1 . . . B 121 LYS HB3 . 11463 1 1099 . 2 2 81 81 LYS HG2 H 1 1.428 0.030 . 2 . . . B 121 LYS HG2 . 11463 1 1100 . 2 2 81 81 LYS HG3 H 1 1.333 0.030 . 2 . . . B 121 LYS HG3 . 11463 1 1101 . 2 2 81 81 LYS HD2 H 1 1.696 0.030 . 1 . . . B 121 LYS HD2 . 11463 1 1102 . 2 2 81 81 LYS HD3 H 1 1.696 0.030 . 1 . . . B 121 LYS HD3 . 11463 1 1103 . 2 2 81 81 LYS HE2 H 1 3.027 0.030 . 1 . . . B 121 LYS HE2 . 11463 1 1104 . 2 2 81 81 LYS HE3 H 1 3.027 0.030 . 1 . . . B 121 LYS HE3 . 11463 1 1105 . 2 2 81 81 LYS C C 13 178.383 0.300 . 1 . . . B 121 LYS C . 11463 1 1106 . 2 2 81 81 LYS CA C 13 57.826 0.300 . 1 . . . B 121 LYS CA . 11463 1 1107 . 2 2 81 81 LYS CB C 13 33.135 0.300 . 1 . . . B 121 LYS CB . 11463 1 1108 . 2 2 81 81 LYS CG C 13 25.292 0.300 . 1 . . . B 121 LYS CG . 11463 1 1109 . 2 2 81 81 LYS CD C 13 29.263 0.300 . 1 . . . B 121 LYS CD . 11463 1 1110 . 2 2 81 81 LYS CE C 13 42.282 0.300 . 1 . . . B 121 LYS CE . 11463 1 1111 . 2 2 81 81 LYS N N 15 117.170 0.300 . 1 . . . B 121 LYS N . 11463 1 1112 . 2 2 82 82 TYR H H 1 8.422 0.030 . 1 . . . B 122 TYR H . 11463 1 1113 . 2 2 82 82 TYR HA H 1 3.646 0.030 . 1 . . . B 122 TYR HA . 11463 1 1114 . 2 2 82 82 TYR HB2 H 1 2.947 0.030 . 2 . . . B 122 TYR HB2 . 11463 1 1115 . 2 2 82 82 TYR HB3 H 1 2.899 0.030 . 2 . . . B 122 TYR HB3 . 11463 1 1116 . 2 2 82 82 TYR HD1 H 1 6.803 0.030 . 1 . . . B 122 TYR HD1 . 11463 1 1117 . 2 2 82 82 TYR HD2 H 1 6.803 0.030 . 1 . . . B 122 TYR HD2 . 11463 1 1118 . 2 2 82 82 TYR HE1 H 1 6.483 0.030 . 1 . . . B 122 TYR HE1 . 11463 1 1119 . 2 2 82 82 TYR HE2 H 1 6.483 0.030 . 1 . . . B 122 TYR HE2 . 11463 1 1120 . 2 2 82 82 TYR C C 13 175.355 0.300 . 1 . . . B 122 TYR C . 11463 1 1121 . 2 2 82 82 TYR CA C 13 62.666 0.300 . 1 . . . B 122 TYR CA . 11463 1 1122 . 2 2 82 82 TYR CB C 13 40.174 0.300 . 1 . . . B 122 TYR CB . 11463 1 1123 . 2 2 82 82 TYR CD1 C 13 132.776 0.300 . 1 . . . B 122 TYR CD1 . 11463 1 1124 . 2 2 82 82 TYR CD2 C 13 132.776 0.300 . 1 . . . B 122 TYR CD2 . 11463 1 1125 . 2 2 82 82 TYR CE1 C 13 117.946 0.300 . 1 . . . B 122 TYR CE1 . 11463 1 1126 . 2 2 82 82 TYR CE2 C 13 117.946 0.300 . 1 . . . B 122 TYR CE2 . 11463 1 1127 . 2 2 82 82 TYR N N 15 116.548 0.300 . 1 . . . B 122 TYR N . 11463 1 1128 . 2 2 83 83 ASN H H 1 7.694 0.030 . 1 . . . B 123 ASN H . 11463 1 1129 . 2 2 83 83 ASN HA H 1 4.488 0.030 . 1 . . . B 123 ASN HA . 11463 1 1130 . 2 2 83 83 ASN HB2 H 1 3.007 0.030 . 2 . . . B 123 ASN HB2 . 11463 1 1131 . 2 2 83 83 ASN HB3 H 1 2.848 0.030 . 2 . . . B 123 ASN HB3 . 11463 1 1132 . 2 2 83 83 ASN HD21 H 1 8.404 0.030 . 2 . . . B 123 ASN HD21 . 11463 1 1133 . 2 2 83 83 ASN HD22 H 1 7.931 0.030 . 2 . . . B 123 ASN HD22 . 11463 1 1134 . 2 2 83 83 ASN C C 13 173.834 0.300 . 1 . . . B 123 ASN C . 11463 1 1135 . 2 2 83 83 ASN CA C 13 53.373 0.300 . 1 . . . B 123 ASN CA . 11463 1 1136 . 2 2 83 83 ASN CB C 13 42.149 0.300 . 1 . . . B 123 ASN CB . 11463 1 1137 . 2 2 83 83 ASN N N 15 114.131 0.300 . 1 . . . B 123 ASN N . 11463 1 1138 . 2 2 83 83 ASN ND2 N 15 121.316 0.300 . 1 . . . B 123 ASN ND2 . 11463 1 1139 . 2 2 84 84 ALA H H 1 8.724 0.030 . 1 . . . B 124 ALA H . 11463 1 1140 . 2 2 84 84 ALA HA H 1 4.127 0.030 . 1 . . . B 124 ALA HA . 11463 1 1141 . 2 2 84 84 ALA HB1 H 1 1.417 0.030 . 1 . . . B 124 ALA HB1 . 11463 1 1142 . 2 2 84 84 ALA HB2 H 1 1.417 0.030 . 1 . . . B 124 ALA HB2 . 11463 1 1143 . 2 2 84 84 ALA HB3 H 1 1.417 0.030 . 1 . . . B 124 ALA HB3 . 11463 1 1144 . 2 2 84 84 ALA C C 13 177.464 0.300 . 1 . . . B 124 ALA C . 11463 1 1145 . 2 2 84 84 ALA CA C 13 51.794 0.300 . 1 . . . B 124 ALA CA . 11463 1 1146 . 2 2 84 84 ALA CB C 13 19.055 0.300 . 1 . . . B 124 ALA CB . 11463 1 1147 . 2 2 84 84 ALA N N 15 121.857 0.300 . 1 . . . B 124 ALA N . 11463 1 1148 . 2 2 85 85 LYS H H 1 8.284 0.030 . 1 . . . B 125 LYS H . 11463 1 1149 . 2 2 85 85 LYS HA H 1 2.412 0.030 . 1 . . . B 125 LYS HA . 11463 1 1150 . 2 2 85 85 LYS HB2 H 1 1.296 0.030 . 2 . . . B 125 LYS HB2 . 11463 1 1151 . 2 2 85 85 LYS HB3 H 1 1.263 0.030 . 2 . . . B 125 LYS HB3 . 11463 1 1152 . 2 2 85 85 LYS HG2 H 1 1.020 0.030 . 2 . . . B 125 LYS HG2 . 11463 1 1153 . 2 2 85 85 LYS HG3 H 1 0.836 0.030 . 2 . . . B 125 LYS HG3 . 11463 1 1154 . 2 2 85 85 LYS HD2 H 1 1.473 0.030 . 1 . . . B 125 LYS HD2 . 11463 1 1155 . 2 2 85 85 LYS HD3 H 1 1.473 0.030 . 1 . . . B 125 LYS HD3 . 11463 1 1156 . 2 2 85 85 LYS HE2 H 1 2.902 0.030 . 1 . . . B 125 LYS HE2 . 11463 1 1157 . 2 2 85 85 LYS HE3 H 1 2.902 0.030 . 1 . . . B 125 LYS HE3 . 11463 1 1158 . 2 2 85 85 LYS C C 13 179.091 0.300 . 1 . . . B 125 LYS C . 11463 1 1159 . 2 2 85 85 LYS CA C 13 57.976 0.300 . 1 . . . B 125 LYS CA . 11463 1 1160 . 2 2 85 85 LYS CB C 13 32.101 0.300 . 1 . . . B 125 LYS CB . 11463 1 1161 . 2 2 85 85 LYS CG C 13 25.018 0.300 . 1 . . . B 125 LYS CG . 11463 1 1162 . 2 2 85 85 LYS CD C 13 29.392 0.300 . 1 . . . B 125 LYS CD . 11463 1 1163 . 2 2 85 85 LYS CE C 13 41.893 0.300 . 1 . . . B 125 LYS CE . 11463 1 1164 . 2 2 85 85 LYS N N 15 119.619 0.300 . 1 . . . B 125 LYS N . 11463 1 1165 . 2 2 86 86 ASP H H 1 7.889 0.030 . 1 . . . B 126 ASP H . 11463 1 1166 . 2 2 86 86 ASP HA H 1 4.596 0.030 . 1 . . . B 126 ASP HA . 11463 1 1167 . 2 2 86 86 ASP HB2 H 1 2.670 0.030 . 2 . . . B 126 ASP HB2 . 11463 1 1168 . 2 2 86 86 ASP HB3 H 1 2.612 0.030 . 2 . . . B 126 ASP HB3 . 11463 1 1169 . 2 2 86 86 ASP C C 13 176.226 0.300 . 1 . . . B 126 ASP C . 11463 1 1170 . 2 2 86 86 ASP CA C 13 53.103 0.300 . 1 . . . B 126 ASP CA . 11463 1 1171 . 2 2 86 86 ASP CB C 13 39.126 0.300 . 1 . . . B 126 ASP CB . 11463 1 1172 . 2 2 87 87 THR H H 1 7.599 0.030 . 1 . . . B 127 THR H . 11463 1 1173 . 2 2 87 87 THR HA H 1 4.643 0.030 . 1 . . . B 127 THR HA . 11463 1 1174 . 2 2 87 87 THR HB H 1 4.564 0.030 . 1 . . . B 127 THR HB . 11463 1 1175 . 2 2 87 87 THR HG21 H 1 1.492 0.030 . 1 . . . B 127 THR HG21 . 11463 1 1176 . 2 2 87 87 THR HG22 H 1 1.492 0.030 . 1 . . . B 127 THR HG22 . 11463 1 1177 . 2 2 87 87 THR HG23 H 1 1.492 0.030 . 1 . . . B 127 THR HG23 . 11463 1 1178 . 2 2 87 87 THR C C 13 175.784 0.300 . 1 . . . B 127 THR C . 11463 1 1179 . 2 2 87 87 THR CA C 13 60.543 0.300 . 1 . . . B 127 THR CA . 11463 1 1180 . 2 2 87 87 THR CB C 13 74.778 0.300 . 1 . . . B 127 THR CB . 11463 1 1181 . 2 2 87 87 THR CG2 C 13 22.874 0.300 . 1 . . . B 127 THR CG2 . 11463 1 1182 . 2 2 87 87 THR N N 15 108.231 0.300 . 1 . . . B 127 THR N . 11463 1 1183 . 2 2 88 88 ILE H H 1 8.868 0.030 . 1 . . . B 128 ILE H . 11463 1 1184 . 2 2 88 88 ILE HA H 1 3.791 0.030 . 1 . . . B 128 ILE HA . 11463 1 1185 . 2 2 88 88 ILE HB H 1 1.497 0.030 . 1 . . . B 128 ILE HB . 11463 1 1186 . 2 2 88 88 ILE HG12 H 1 0.860 0.030 . 1 . . . B 128 ILE HG12 . 11463 1 1187 . 2 2 88 88 ILE HG13 H 1 0.860 0.030 . 1 . . . B 128 ILE HG13 . 11463 1 1188 . 2 2 88 88 ILE HG21 H 1 0.524 0.030 . 1 . . . B 128 ILE HG21 . 11463 1 1189 . 2 2 88 88 ILE HG22 H 1 0.524 0.030 . 1 . . . B 128 ILE HG22 . 11463 1 1190 . 2 2 88 88 ILE HG23 H 1 0.524 0.030 . 1 . . . B 128 ILE HG23 . 11463 1 1191 . 2 2 88 88 ILE HD11 H 1 0.596 0.030 . 1 . . . B 128 ILE HD11 . 11463 1 1192 . 2 2 88 88 ILE HD12 H 1 0.596 0.030 . 1 . . . B 128 ILE HD12 . 11463 1 1193 . 2 2 88 88 ILE HD13 H 1 0.596 0.030 . 1 . . . B 128 ILE HD13 . 11463 1 1194 . 2 2 88 88 ILE C C 13 178.197 0.300 . 1 . . . B 128 ILE C . 11463 1 1195 . 2 2 88 88 ILE CA C 13 63.754 0.300 . 1 . . . B 128 ILE CA . 11463 1 1196 . 2 2 88 88 ILE CB C 13 37.750 0.300 . 1 . . . B 128 ILE CB . 11463 1 1197 . 2 2 88 88 ILE CG1 C 13 27.431 0.300 . 1 . . . B 128 ILE CG1 . 11463 1 1198 . 2 2 88 88 ILE CG2 C 13 16.763 0.300 . 1 . . . B 128 ILE CG2 . 11463 1 1199 . 2 2 88 88 ILE CD1 C 13 13.477 0.300 . 1 . . . B 128 ILE CD1 . 11463 1 1200 . 2 2 88 88 ILE N N 15 119.315 0.300 . 1 . . . B 128 ILE N . 11463 1 1201 . 2 2 89 89 PHE H H 1 6.419 0.030 . 1 . . . B 129 PHE H . 11463 1 1202 . 2 2 89 89 PHE HA H 1 3.877 0.030 . 1 . . . B 129 PHE HA . 11463 1 1203 . 2 2 89 89 PHE HB2 H 1 3.073 0.030 . 2 . . . B 129 PHE HB2 . 11463 1 1204 . 2 2 89 89 PHE HB3 H 1 2.525 0.030 . 2 . . . B 129 PHE HB3 . 11463 1 1205 . 2 2 89 89 PHE HD1 H 1 7.058 0.030 . 1 . . . B 129 PHE HD1 . 11463 1 1206 . 2 2 89 89 PHE HD2 H 1 7.058 0.030 . 1 . . . B 129 PHE HD2 . 11463 1 1207 . 2 2 89 89 PHE HE1 H 1 7.470 0.030 . 1 . . . B 129 PHE HE1 . 11463 1 1208 . 2 2 89 89 PHE HE2 H 1 7.470 0.030 . 1 . . . B 129 PHE HE2 . 11463 1 1209 . 2 2 89 89 PHE HZ H 1 7.353 0.030 . 1 . . . B 129 PHE HZ . 11463 1 1210 . 2 2 89 89 PHE C C 13 175.673 0.300 . 1 . . . B 129 PHE C . 11463 1 1211 . 2 2 89 89 PHE CA C 13 60.475 0.300 . 1 . . . B 129 PHE CA . 11463 1 1212 . 2 2 89 89 PHE CB C 13 39.742 0.300 . 1 . . . B 129 PHE CB . 11463 1 1213 . 2 2 89 89 PHE CD1 C 13 130.452 0.300 . 1 . . . B 129 PHE CD1 . 11463 1 1214 . 2 2 89 89 PHE CD2 C 13 130.452 0.300 . 1 . . . B 129 PHE CD2 . 11463 1 1215 . 2 2 89 89 PHE CE1 C 13 132.413 0.300 . 1 . . . B 129 PHE CE1 . 11463 1 1216 . 2 2 89 89 PHE CE2 C 13 132.413 0.300 . 1 . . . B 129 PHE CE2 . 11463 1 1217 . 2 2 89 89 PHE CZ C 13 130.753 0.300 . 1 . . . B 129 PHE CZ . 11463 1 1218 . 2 2 90 90 TYR H H 1 7.651 0.030 . 1 . . . B 130 TYR H . 11463 1 1219 . 2 2 90 90 TYR HA H 1 3.816 0.030 . 1 . . . B 130 TYR HA . 11463 1 1220 . 2 2 90 90 TYR HB2 H 1 3.252 0.030 . 2 . . . B 130 TYR HB2 . 11463 1 1221 . 2 2 90 90 TYR HB3 H 1 2.743 0.030 . 2 . . . B 130 TYR HB3 . 11463 1 1222 . 2 2 90 90 TYR HD1 H 1 7.067 0.030 . 1 . . . B 130 TYR HD1 . 11463 1 1223 . 2 2 90 90 TYR HD2 H 1 7.067 0.030 . 1 . . . B 130 TYR HD2 . 11463 1 1224 . 2 2 90 90 TYR HE1 H 1 6.888 0.030 . 1 . . . B 130 TYR HE1 . 11463 1 1225 . 2 2 90 90 TYR HE2 H 1 6.888 0.030 . 1 . . . B 130 TYR HE2 . 11463 1 1226 . 2 2 90 90 TYR C C 13 177.695 0.300 . 1 . . . B 130 TYR C . 11463 1 1227 . 2 2 90 90 TYR CA C 13 62.084 0.300 . 1 . . . B 130 TYR CA . 11463 1 1228 . 2 2 90 90 TYR CB C 13 40.060 0.300 . 1 . . . B 130 TYR CB . 11463 1 1229 . 2 2 90 90 TYR CD1 C 13 134.229 0.300 . 3 . . . B 130 TYR CD1 . 11463 1 1230 . 2 2 90 90 TYR CD2 C 13 134.510 0.300 . 3 . . . B 130 TYR CD2 . 11463 1 1231 . 2 2 90 90 TYR CE1 C 13 118.758 0.300 . 3 . . . B 130 TYR CE1 . 11463 1 1232 . 2 2 90 90 TYR CE2 C 13 118.699 0.300 . 3 . . . B 130 TYR CE2 . 11463 1 1233 . 2 2 90 90 TYR N N 15 120.096 0.300 . 1 . . . B 130 TYR N . 11463 1 1234 . 2 2 91 91 ARG H H 1 7.859 0.030 . 1 . . . B 131 ARG H . 11463 1 1235 . 2 2 91 91 ARG HA H 1 4.030 0.030 . 1 . . . B 131 ARG HA . 11463 1 1236 . 2 2 91 91 ARG HB2 H 1 1.907 0.030 . 1 . . . B 131 ARG HB2 . 11463 1 1237 . 2 2 91 91 ARG HB3 H 1 1.907 0.030 . 1 . . . B 131 ARG HB3 . 11463 1 1238 . 2 2 91 91 ARG HG2 H 1 2.043 0.030 . 2 . . . B 131 ARG HG2 . 11463 1 1239 . 2 2 91 91 ARG HG3 H 1 1.763 0.030 . 2 . . . B 131 ARG HG3 . 11463 1 1240 . 2 2 91 91 ARG HD2 H 1 3.302 0.030 . 2 . . . B 131 ARG HD2 . 11463 1 1241 . 2 2 91 91 ARG HD3 H 1 3.140 0.030 . 2 . . . B 131 ARG HD3 . 11463 1 1242 . 2 2 91 91 ARG HE H 1 7.302 0.030 . 1 . . . B 131 ARG HE . 11463 1 1243 . 2 2 91 91 ARG C C 13 179.448 0.300 . 1 . . . B 131 ARG C . 11463 1 1244 . 2 2 91 91 ARG CA C 13 59.896 0.300 . 1 . . . B 131 ARG CA . 11463 1 1245 . 2 2 91 91 ARG CB C 13 30.280 0.300 . 1 . . . B 131 ARG CB . 11463 1 1246 . 2 2 91 91 ARG CG C 13 28.657 0.300 . 1 . . . B 131 ARG CG . 11463 1 1247 . 2 2 91 91 ARG CD C 13 43.572 0.300 . 1 . . . B 131 ARG CD . 11463 1 1248 . 2 2 91 91 ARG NE N 15 84.156 0.300 . 1 . . . B 131 ARG NE . 11463 1 1249 . 2 2 92 92 ALA H H 1 8.286 0.030 . 1 . . . B 132 ALA H . 11463 1 1250 . 2 2 92 92 ALA HA H 1 4.301 0.030 . 1 . . . B 132 ALA HA . 11463 1 1251 . 2 2 92 92 ALA HB1 H 1 1.704 0.030 . 1 . . . B 132 ALA HB1 . 11463 1 1252 . 2 2 92 92 ALA HB2 H 1 1.704 0.030 . 1 . . . B 132 ALA HB2 . 11463 1 1253 . 2 2 92 92 ALA HB3 H 1 1.704 0.030 . 1 . . . B 132 ALA HB3 . 11463 1 1254 . 2 2 92 92 ALA C C 13 180.928 0.300 . 1 . . . B 132 ALA C . 11463 1 1255 . 2 2 92 92 ALA CA C 13 54.885 0.300 . 1 . . . B 132 ALA CA . 11463 1 1256 . 2 2 92 92 ALA CB C 13 18.544 0.300 . 1 . . . B 132 ALA CB . 11463 1 1257 . 2 2 92 92 ALA N N 15 121.481 0.300 . 1 . . . B 132 ALA N . 11463 1 1258 . 2 2 93 93 ALA H H 1 8.396 0.030 . 1 . . . B 133 ALA H . 11463 1 1259 . 2 2 93 93 ALA HA H 1 4.077 0.030 . 1 . . . B 133 ALA HA . 11463 1 1260 . 2 2 93 93 ALA HB1 H 1 1.664 0.030 . 1 . . . B 133 ALA HB1 . 11463 1 1261 . 2 2 93 93 ALA HB2 H 1 1.664 0.030 . 1 . . . B 133 ALA HB2 . 11463 1 1262 . 2 2 93 93 ALA HB3 H 1 1.664 0.030 . 1 . . . B 133 ALA HB3 . 11463 1 1263 . 2 2 93 93 ALA C C 13 178.648 0.300 . 1 . . . B 133 ALA C . 11463 1 1264 . 2 2 93 93 ALA CA C 13 55.252 0.300 . 1 . . . B 133 ALA CA . 11463 1 1265 . 2 2 93 93 ALA CB C 13 18.285 0.300 . 1 . . . B 133 ALA CB . 11463 1 1266 . 2 2 93 93 ALA N N 15 123.234 0.300 . 1 . . . B 133 ALA N . 11463 1 1267 . 2 2 94 94 VAL H H 1 8.007 0.030 . 1 . . . B 134 VAL H . 11463 1 1268 . 2 2 94 94 VAL HA H 1 3.367 0.030 . 1 . . . B 134 VAL HA . 11463 1 1269 . 2 2 94 94 VAL HB H 1 2.159 0.030 . 1 . . . B 134 VAL HB . 11463 1 1270 . 2 2 94 94 VAL HG11 H 1 0.955 0.030 . 1 . . . B 134 VAL HG11 . 11463 1 1271 . 2 2 94 94 VAL HG12 H 1 0.955 0.030 . 1 . . . B 134 VAL HG12 . 11463 1 1272 . 2 2 94 94 VAL HG13 H 1 0.955 0.030 . 1 . . . B 134 VAL HG13 . 11463 1 1273 . 2 2 94 94 VAL HG21 H 1 0.951 0.030 . 1 . . . B 134 VAL HG21 . 11463 1 1274 . 2 2 94 94 VAL HG22 H 1 0.951 0.030 . 1 . . . B 134 VAL HG22 . 11463 1 1275 . 2 2 94 94 VAL HG23 H 1 0.951 0.030 . 1 . . . B 134 VAL HG23 . 11463 1 1276 . 2 2 94 94 VAL C C 13 178.975 0.300 . 1 . . . B 134 VAL C . 11463 1 1277 . 2 2 94 94 VAL CA C 13 67.300 0.300 . 1 . . . B 134 VAL CA . 11463 1 1278 . 2 2 94 94 VAL CB C 13 31.895 0.300 . 1 . . . B 134 VAL CB . 11463 1 1279 . 2 2 94 94 VAL CG1 C 13 21.277 0.300 . 2 . . . B 134 VAL CG1 . 11463 1 1280 . 2 2 94 94 VAL CG2 C 13 23.589 0.300 . 2 . . . B 134 VAL CG2 . 11463 1 1281 . 2 2 94 94 VAL N N 15 119.579 0.300 . 1 . . . B 134 VAL N . 11463 1 1282 . 2 2 95 95 ARG H H 1 7.704 0.030 . 1 . . . B 135 ARG H . 11463 1 1283 . 2 2 95 95 ARG HA H 1 4.274 0.030 . 1 . . . B 135 ARG HA . 11463 1 1284 . 2 2 95 95 ARG HB2 H 1 1.973 0.030 . 1 . . . B 135 ARG HB2 . 11463 1 1285 . 2 2 95 95 ARG HB3 H 1 1.973 0.030 . 1 . . . B 135 ARG HB3 . 11463 1 1286 . 2 2 95 95 ARG HG2 H 1 1.873 0.030 . 2 . . . B 135 ARG HG2 . 11463 1 1287 . 2 2 95 95 ARG HG3 H 1 1.702 0.030 . 2 . . . B 135 ARG HG3 . 11463 1 1288 . 2 2 95 95 ARG HD2 H 1 3.309 0.030 . 1 . . . B 135 ARG HD2 . 11463 1 1289 . 2 2 95 95 ARG HD3 H 1 3.309 0.030 . 1 . . . B 135 ARG HD3 . 11463 1 1290 . 2 2 95 95 ARG HE H 1 7.437 0.030 . 1 . . . B 135 ARG HE . 11463 1 1291 . 2 2 95 95 ARG C C 13 178.312 0.300 . 1 . . . B 135 ARG C . 11463 1 1292 . 2 2 95 95 ARG CA C 13 59.095 0.300 . 1 . . . B 135 ARG CA . 11463 1 1293 . 2 2 95 95 ARG CB C 13 30.053 0.300 . 1 . . . B 135 ARG CB . 11463 1 1294 . 2 2 95 95 ARG CG C 13 27.307 0.300 . 1 . . . B 135 ARG CG . 11463 1 1295 . 2 2 95 95 ARG CD C 13 43.314 0.300 . 1 . . . B 135 ARG CD . 11463 1 1296 . 2 2 95 95 ARG N N 15 119.171 0.300 . 1 . . . B 135 ARG N . 11463 1 1297 . 2 2 95 95 ARG NE N 15 84.557 0.300 . 1 . . . B 135 ARG NE . 11463 1 1298 . 2 2 96 96 LEU H H 1 8.445 0.030 . 1 . . . B 136 LEU H . 11463 1 1299 . 2 2 96 96 LEU HA H 1 4.245 0.030 . 1 . . . B 136 LEU HA . 11463 1 1300 . 2 2 96 96 LEU HB2 H 1 1.786 0.030 . 2 . . . B 136 LEU HB2 . 11463 1 1301 . 2 2 96 96 LEU HB3 H 1 1.691 0.030 . 2 . . . B 136 LEU HB3 . 11463 1 1302 . 2 2 96 96 LEU HG H 1 1.708 0.030 . 1 . . . B 136 LEU HG . 11463 1 1303 . 2 2 96 96 LEU HD11 H 1 0.385 0.030 . 1 . . . B 136 LEU HD11 . 11463 1 1304 . 2 2 96 96 LEU HD12 H 1 0.385 0.030 . 1 . . . B 136 LEU HD12 . 11463 1 1305 . 2 2 96 96 LEU HD13 H 1 0.385 0.030 . 1 . . . B 136 LEU HD13 . 11463 1 1306 . 2 2 96 96 LEU HD21 H 1 1.113 0.030 . 1 . . . B 136 LEU HD21 . 11463 1 1307 . 2 2 96 96 LEU HD22 H 1 1.113 0.030 . 1 . . . B 136 LEU HD22 . 11463 1 1308 . 2 2 96 96 LEU HD23 H 1 1.113 0.030 . 1 . . . B 136 LEU HD23 . 11463 1 1309 . 2 2 96 96 LEU C C 13 179.634 0.300 . 1 . . . B 136 LEU C . 11463 1 1310 . 2 2 96 96 LEU CA C 13 57.838 0.300 . 1 . . . B 136 LEU CA . 11463 1 1311 . 2 2 96 96 LEU CB C 13 41.883 0.300 . 1 . . . B 136 LEU CB . 11463 1 1312 . 2 2 96 96 LEU CG C 13 26.717 0.300 . 1 . . . B 136 LEU CG . 11463 1 1313 . 2 2 96 96 LEU CD1 C 13 26.045 0.300 . 2 . . . B 136 LEU CD1 . 11463 1 1314 . 2 2 96 96 LEU CD2 C 13 23.432 0.300 . 2 . . . B 136 LEU CD2 . 11463 1 1315 . 2 2 96 96 LEU N N 15 121.307 0.300 . 1 . . . B 136 LEU N . 11463 1 1316 . 2 2 97 97 ARG H H 1 8.664 0.030 . 1 . . . B 137 ARG H . 11463 1 1317 . 2 2 97 97 ARG HA H 1 3.949 0.030 . 1 . . . B 137 ARG HA . 11463 1 1318 . 2 2 97 97 ARG HB2 H 1 2.243 0.030 . 2 . . . B 137 ARG HB2 . 11463 1 1319 . 2 2 97 97 ARG HB3 H 1 1.895 0.030 . 2 . . . B 137 ARG HB3 . 11463 1 1320 . 2 2 97 97 ARG HG2 H 1 1.766 0.030 . 2 . . . B 137 ARG HG2 . 11463 1 1321 . 2 2 97 97 ARG HG3 H 1 1.604 0.030 . 2 . . . B 137 ARG HG3 . 11463 1 1322 . 2 2 97 97 ARG HD2 H 1 2.979 0.030 . 2 . . . B 137 ARG HD2 . 11463 1 1323 . 2 2 97 97 ARG HD3 H 1 3.180 0.030 . 2 . . . B 137 ARG HD3 . 11463 1 1324 . 2 2 97 97 ARG HE H 1 7.368 0.030 . 1 . . . B 137 ARG HE . 11463 1 1325 . 2 2 97 97 ARG C C 13 179.522 0.300 . 1 . . . B 137 ARG C . 11463 1 1326 . 2 2 97 97 ARG CA C 13 59.885 0.300 . 1 . . . B 137 ARG CA . 11463 1 1327 . 2 2 97 97 ARG CB C 13 30.121 0.300 . 1 . . . B 137 ARG CB . 11463 1 1328 . 2 2 97 97 ARG CG C 13 25.768 0.300 . 1 . . . B 137 ARG CG . 11463 1 1329 . 2 2 97 97 ARG CD C 13 43.833 0.300 . 1 . . . B 137 ARG CD . 11463 1 1330 . 2 2 97 97 ARG N N 15 120.637 0.300 . 1 . . . B 137 ARG N . 11463 1 1331 . 2 2 97 97 ARG NE N 15 83.720 0.300 . 1 . . . B 137 ARG NE . 11463 1 1332 . 2 2 98 98 GLU H H 1 7.848 0.030 . 1 . . . B 138 GLU H . 11463 1 1333 . 2 2 98 98 GLU HA H 1 4.158 0.030 . 1 . . . B 138 GLU HA . 11463 1 1334 . 2 2 98 98 GLU HB2 H 1 2.292 0.030 . 2 . . . B 138 GLU HB2 . 11463 1 1335 . 2 2 98 98 GLU HB3 H 1 2.236 0.030 . 2 . . . B 138 GLU HB3 . 11463 1 1336 . 2 2 98 98 GLU HG2 H 1 2.454 0.030 . 2 . . . B 138 GLU HG2 . 11463 1 1337 . 2 2 98 98 GLU HG3 H 1 2.315 0.030 . 2 . . . B 138 GLU HG3 . 11463 1 1338 . 2 2 98 98 GLU C C 13 179.754 0.300 . 1 . . . B 138 GLU C . 11463 1 1339 . 2 2 98 98 GLU CA C 13 59.117 0.300 . 1 . . . B 138 GLU CA . 11463 1 1340 . 2 2 98 98 GLU CB C 13 29.982 0.300 . 1 . . . B 138 GLU CB . 11463 1 1341 . 2 2 98 98 GLU CG C 13 35.893 0.300 . 1 . . . B 138 GLU CG . 11463 1 1342 . 2 2 98 98 GLU N N 15 119.046 0.300 . 1 . . . B 138 GLU N . 11463 1 1343 . 2 2 99 99 GLN H H 1 9.068 0.030 . 1 . . . B 139 GLN H . 11463 1 1344 . 2 2 99 99 GLN HA H 1 4.206 0.030 . 1 . . . B 139 GLN HA . 11463 1 1345 . 2 2 99 99 GLN HB2 H 1 2.121 0.030 . 2 . . . B 139 GLN HB2 . 11463 1 1346 . 2 2 99 99 GLN HB3 H 1 2.012 0.030 . 2 . . . B 139 GLN HB3 . 11463 1 1347 . 2 2 99 99 GLN HG2 H 1 2.755 0.030 . 2 . . . B 139 GLN HG2 . 11463 1 1348 . 2 2 99 99 GLN HG3 H 1 2.523 0.030 . 2 . . . B 139 GLN HG3 . 11463 1 1349 . 2 2 99 99 GLN HE21 H 1 7.758 0.030 . 2 . . . B 139 GLN HE21 . 11463 1 1350 . 2 2 99 99 GLN HE22 H 1 6.983 0.030 . 2 . . . B 139 GLN HE22 . 11463 1 1351 . 2 2 99 99 GLN C C 13 179.614 0.300 . 1 . . . B 139 GLN C . 11463 1 1352 . 2 2 99 99 GLN CA C 13 58.433 0.300 . 1 . . . B 139 GLN CA . 11463 1 1353 . 2 2 99 99 GLN CB C 13 29.447 0.300 . 1 . . . B 139 GLN CB . 11463 1 1354 . 2 2 99 99 GLN CG C 13 34.418 0.300 . 1 . . . B 139 GLN CG . 11463 1 1355 . 2 2 99 99 GLN N N 15 117.998 0.300 . 1 . . . B 139 GLN N . 11463 1 1356 . 2 2 99 99 GLN NE2 N 15 112.174 0.300 . 1 . . . B 139 GLN NE2 . 11463 1 1357 . 2 2 100 100 GLY H H 1 9.502 0.030 . 1 . . . B 140 GLY H . 11463 1 1358 . 2 2 100 100 GLY HA2 H 1 3.696 0.030 . 2 . . . B 140 GLY HA2 . 11463 1 1359 . 2 2 100 100 GLY HA3 H 1 3.615 0.030 . 2 . . . B 140 GLY HA3 . 11463 1 1360 . 2 2 100 100 GLY C C 13 175.229 0.300 . 1 . . . B 140 GLY C . 11463 1 1361 . 2 2 100 100 GLY CA C 13 46.104 0.300 . 1 . . . B 140 GLY CA . 11463 1 1362 . 2 2 100 100 GLY N N 15 108.894 0.300 . 1 . . . B 140 GLY N . 11463 1 1363 . 2 2 101 101 GLY H H 1 7.687 0.030 . 1 . . . B 141 GLY H . 11463 1 1364 . 2 2 101 101 GLY HA2 H 1 4.099 0.030 . 2 . . . B 141 GLY HA2 . 11463 1 1365 . 2 2 101 101 GLY HA3 H 1 3.832 0.030 . 2 . . . B 141 GLY HA3 . 11463 1 1366 . 2 2 101 101 GLY C C 13 176.012 0.300 . 1 . . . B 141 GLY C . 11463 1 1367 . 2 2 101 101 GLY CA C 13 47.681 0.300 . 1 . . . B 141 GLY CA . 11463 1 1368 . 2 2 101 101 GLY N N 15 108.360 0.300 . 1 . . . B 141 GLY N . 11463 1 1369 . 2 2 102 102 ALA H H 1 7.462 0.030 . 1 . . . B 142 ALA H . 11463 1 1370 . 2 2 102 102 ALA HA H 1 4.118 0.030 . 1 . . . B 142 ALA HA . 11463 1 1371 . 2 2 102 102 ALA HB1 H 1 1.515 0.030 . 1 . . . B 142 ALA HB1 . 11463 1 1372 . 2 2 102 102 ALA HB2 H 1 1.515 0.030 . 1 . . . B 142 ALA HB2 . 11463 1 1373 . 2 2 102 102 ALA HB3 H 1 1.515 0.030 . 1 . . . B 142 ALA HB3 . 11463 1 1374 . 2 2 102 102 ALA C C 13 180.476 0.300 . 1 . . . B 142 ALA C . 11463 1 1375 . 2 2 102 102 ALA CA C 13 55.254 0.300 . 1 . . . B 142 ALA CA . 11463 1 1376 . 2 2 102 102 ALA CB C 13 18.091 0.300 . 1 . . . B 142 ALA CB . 11463 1 1377 . 2 2 102 102 ALA N N 15 122.606 0.300 . 1 . . . B 142 ALA N . 11463 1 1378 . 2 2 103 103 VAL H H 1 7.039 0.030 . 1 . . . B 143 VAL H . 11463 1 1379 . 2 2 103 103 VAL HA H 1 3.670 0.030 . 1 . . . B 143 VAL HA . 11463 1 1380 . 2 2 103 103 VAL HB H 1 2.251 0.030 . 1 . . . B 143 VAL HB . 11463 1 1381 . 2 2 103 103 VAL HG11 H 1 0.872 0.030 . 1 . . . B 143 VAL HG11 . 11463 1 1382 . 2 2 103 103 VAL HG12 H 1 0.872 0.030 . 1 . . . B 143 VAL HG12 . 11463 1 1383 . 2 2 103 103 VAL HG13 H 1 0.872 0.030 . 1 . . . B 143 VAL HG13 . 11463 1 1384 . 2 2 103 103 VAL HG21 H 1 0.981 0.030 . 1 . . . B 143 VAL HG21 . 11463 1 1385 . 2 2 103 103 VAL HG22 H 1 0.981 0.030 . 1 . . . B 143 VAL HG22 . 11463 1 1386 . 2 2 103 103 VAL HG23 H 1 0.981 0.030 . 1 . . . B 143 VAL HG23 . 11463 1 1387 . 2 2 103 103 VAL C C 13 179.245 0.300 . 1 . . . B 143 VAL C . 11463 1 1388 . 2 2 103 103 VAL CA C 13 65.393 0.300 . 1 . . . B 143 VAL CA . 11463 1 1389 . 2 2 103 103 VAL CB C 13 32.015 0.300 . 1 . . . B 143 VAL CB . 11463 1 1390 . 2 2 103 103 VAL CG1 C 13 22.072 0.300 . 2 . . . B 143 VAL CG1 . 11463 1 1391 . 2 2 103 103 VAL CG2 C 13 21.965 0.300 . 2 . . . B 143 VAL CG2 . 11463 1 1392 . 2 2 103 103 VAL N N 15 119.034 0.300 . 1 . . . B 143 VAL N . 11463 1 1393 . 2 2 104 104 LEU H H 1 8.364 0.030 . 1 . . . B 144 LEU H . 11463 1 1394 . 2 2 104 104 LEU HA H 1 3.991 0.030 . 1 . . . B 144 LEU HA . 11463 1 1395 . 2 2 104 104 LEU HB2 H 1 1.957 0.030 . 2 . . . B 144 LEU HB2 . 11463 1 1396 . 2 2 104 104 LEU HB3 H 1 1.646 0.030 . 2 . . . B 144 LEU HB3 . 11463 1 1397 . 2 2 104 104 LEU HG H 1 1.473 0.030 . 1 . . . B 144 LEU HG . 11463 1 1398 . 2 2 104 104 LEU HD11 H 1 0.618 0.030 . 1 . . . B 144 LEU HD11 . 11463 1 1399 . 2 2 104 104 LEU HD12 H 1 0.618 0.030 . 1 . . . B 144 LEU HD12 . 11463 1 1400 . 2 2 104 104 LEU HD13 H 1 0.618 0.030 . 1 . . . B 144 LEU HD13 . 11463 1 1401 . 2 2 104 104 LEU HD21 H 1 0.801 0.030 . 1 . . . B 144 LEU HD21 . 11463 1 1402 . 2 2 104 104 LEU HD22 H 1 0.801 0.030 . 1 . . . B 144 LEU HD22 . 11463 1 1403 . 2 2 104 104 LEU HD23 H 1 0.801 0.030 . 1 . . . B 144 LEU HD23 . 11463 1 1404 . 2 2 104 104 LEU C C 13 179.008 0.300 . 1 . . . B 144 LEU C . 11463 1 1405 . 2 2 104 104 LEU CA C 13 58.240 0.300 . 1 . . . B 144 LEU CA . 11463 1 1406 . 2 2 104 104 LEU CB C 13 41.350 0.300 . 1 . . . B 144 LEU CB . 11463 1 1407 . 2 2 104 104 LEU CG C 13 27.320 0.300 . 1 . . . B 144 LEU CG . 11463 1 1408 . 2 2 104 104 LEU CD1 C 13 26.541 0.300 . 2 . . . B 144 LEU CD1 . 11463 1 1409 . 2 2 104 104 LEU CD2 C 13 23.733 0.300 . 2 . . . B 144 LEU CD2 . 11463 1 1410 . 2 2 104 104 LEU N N 15 120.147 0.300 . 1 . . . B 144 LEU N . 11463 1 1411 . 2 2 105 105 ARG H H 1 8.289 0.030 . 1 . . . B 145 ARG H . 11463 1 1412 . 2 2 105 105 ARG HA H 1 3.966 0.030 . 1 . . . B 145 ARG HA . 11463 1 1413 . 2 2 105 105 ARG HB2 H 1 1.938 0.030 . 2 . . . B 145 ARG HB2 . 11463 1 1414 . 2 2 105 105 ARG HB3 H 1 1.785 0.030 . 2 . . . B 145 ARG HB3 . 11463 1 1415 . 2 2 105 105 ARG HG2 H 1 1.858 0.030 . 2 . . . B 145 ARG HG2 . 11463 1 1416 . 2 2 105 105 ARG HG3 H 1 1.515 0.030 . 2 . . . B 145 ARG HG3 . 11463 1 1417 . 2 2 105 105 ARG HD2 H 1 3.284 0.030 . 2 . . . B 145 ARG HD2 . 11463 1 1418 . 2 2 105 105 ARG HD3 H 1 3.140 0.030 . 2 . . . B 145 ARG HD3 . 11463 1 1419 . 2 2 105 105 ARG C C 13 179.204 0.300 . 1 . . . B 145 ARG C . 11463 1 1420 . 2 2 105 105 ARG CA C 13 59.902 0.300 . 1 . . . B 145 ARG CA . 11463 1 1421 . 2 2 105 105 ARG CB C 13 30.251 0.300 . 1 . . . B 145 ARG CB . 11463 1 1422 . 2 2 105 105 ARG CG C 13 27.966 0.300 . 1 . . . B 145 ARG CG . 11463 1 1423 . 2 2 105 105 ARG CD C 13 43.307 0.300 . 1 . . . B 145 ARG CD . 11463 1 1424 . 2 2 105 105 ARG N N 15 119.746 0.300 . 1 . . . B 145 ARG N . 11463 1 1425 . 2 2 106 106 GLN H H 1 7.380 0.030 . 1 . . . B 146 GLN H . 11463 1 1426 . 2 2 106 106 GLN HA H 1 4.053 0.030 . 1 . . . B 146 GLN HA . 11463 1 1427 . 2 2 106 106 GLN HB2 H 1 2.155 0.030 . 2 . . . B 146 GLN HB2 . 11463 1 1428 . 2 2 106 106 GLN HB3 H 1 2.099 0.030 . 2 . . . B 146 GLN HB3 . 11463 1 1429 . 2 2 106 106 GLN HG2 H 1 2.486 0.030 . 2 . . . B 146 GLN HG2 . 11463 1 1430 . 2 2 106 106 GLN HG3 H 1 2.395 0.030 . 2 . . . B 146 GLN HG3 . 11463 1 1431 . 2 2 106 106 GLN HE21 H 1 7.517 0.030 . 2 . . . B 146 GLN HE21 . 11463 1 1432 . 2 2 106 106 GLN HE22 H 1 6.942 0.030 . 2 . . . B 146 GLN HE22 . 11463 1 1433 . 2 2 106 106 GLN C C 13 178.257 0.300 . 1 . . . B 146 GLN C . 11463 1 1434 . 2 2 106 106 GLN CA C 13 58.292 0.300 . 1 . . . B 146 GLN CA . 11463 1 1435 . 2 2 106 106 GLN CB C 13 27.967 0.300 . 1 . . . B 146 GLN CB . 11463 1 1436 . 2 2 106 106 GLN CG C 13 33.428 0.300 . 1 . . . B 146 GLN CG . 11463 1 1437 . 2 2 106 106 GLN N N 15 117.478 0.300 . 1 . . . B 146 GLN N . 11463 1 1438 . 2 2 106 106 GLN NE2 N 15 112.089 0.300 . 1 . . . B 146 GLN NE2 . 11463 1 1439 . 2 2 107 107 ALA H H 1 8.135 0.030 . 1 . . . B 147 ALA H . 11463 1 1440 . 2 2 107 107 ALA HA H 1 4.026 0.030 . 1 . . . B 147 ALA HA . 11463 1 1441 . 2 2 107 107 ALA HB1 H 1 1.501 0.030 . 1 . . . B 147 ALA HB1 . 11463 1 1442 . 2 2 107 107 ALA HB2 H 1 1.501 0.030 . 1 . . . B 147 ALA HB2 . 11463 1 1443 . 2 2 107 107 ALA HB3 H 1 1.501 0.030 . 1 . . . B 147 ALA HB3 . 11463 1 1444 . 2 2 107 107 ALA C C 13 178.685 0.300 . 1 . . . B 147 ALA C . 11463 1 1445 . 2 2 107 107 ALA CA C 13 54.932 0.300 . 1 . . . B 147 ALA CA . 11463 1 1446 . 2 2 107 107 ALA CB C 13 19.822 0.300 . 1 . . . B 147 ALA CB . 11463 1 1447 . 2 2 107 107 ALA N N 15 123.589 0.300 . 1 . . . B 147 ALA N . 11463 1 1448 . 2 2 108 108 ARG H H 1 8.255 0.030 . 1 . . . B 148 ARG H . 11463 1 1449 . 2 2 108 108 ARG HA H 1 2.600 0.030 . 1 . . . B 148 ARG HA . 11463 1 1450 . 2 2 108 108 ARG HB2 H 1 1.540 0.030 . 2 . . . B 148 ARG HB2 . 11463 1 1451 . 2 2 108 108 ARG HB3 H 1 1.469 0.030 . 2 . . . B 148 ARG HB3 . 11463 1 1452 . 2 2 108 108 ARG HG2 H 1 1.080 0.030 . 1 . . . B 148 ARG HG2 . 11463 1 1453 . 2 2 108 108 ARG HG3 H 1 1.080 0.030 . 1 . . . B 148 ARG HG3 . 11463 1 1454 . 2 2 108 108 ARG HD2 H 1 3.250 0.030 . 2 . . . B 148 ARG HD2 . 11463 1 1455 . 2 2 108 108 ARG HD3 H 1 2.948 0.030 . 2 . . . B 148 ARG HD3 . 11463 1 1456 . 2 2 108 108 ARG HE H 1 7.813 0.030 . 1 . . . B 148 ARG HE . 11463 1 1457 . 2 2 108 108 ARG C C 13 178.329 0.300 . 1 . . . B 148 ARG C . 11463 1 1458 . 2 2 108 108 ARG CA C 13 59.176 0.300 . 1 . . . B 148 ARG CA . 11463 1 1459 . 2 2 108 108 ARG CB C 13 30.127 0.300 . 1 . . . B 148 ARG CB . 11463 1 1460 . 2 2 108 108 ARG CG C 13 27.889 0.300 . 1 . . . B 148 ARG CG . 11463 1 1461 . 2 2 108 108 ARG CD C 13 43.046 0.300 . 1 . . . B 148 ARG CD . 11463 1 1462 . 2 2 108 108 ARG N N 15 119.254 0.300 . 1 . . . B 148 ARG N . 11463 1 1463 . 2 2 108 108 ARG NE N 15 84.009 0.300 . 1 . . . B 148 ARG NE . 11463 1 1464 . 2 2 109 109 ARG H H 1 7.093 0.030 . 1 . . . B 149 ARG H . 11463 1 1465 . 2 2 109 109 ARG HA H 1 3.980 0.030 . 1 . . . B 149 ARG HA . 11463 1 1466 . 2 2 109 109 ARG HB2 H 1 1.868 0.030 . 1 . . . B 149 ARG HB2 . 11463 1 1467 . 2 2 109 109 ARG HB3 H 1 1.868 0.030 . 1 . . . B 149 ARG HB3 . 11463 1 1468 . 2 2 109 109 ARG HG2 H 1 1.725 0.030 . 2 . . . B 149 ARG HG2 . 11463 1 1469 . 2 2 109 109 ARG HG3 H 1 1.622 0.030 . 2 . . . B 149 ARG HG3 . 11463 1 1470 . 2 2 109 109 ARG HD2 H 1 3.167 0.030 . 1 . . . B 149 ARG HD2 . 11463 1 1471 . 2 2 109 109 ARG HD3 H 1 3.167 0.030 . 1 . . . B 149 ARG HD3 . 11463 1 1472 . 2 2 109 109 ARG HE H 1 7.415 0.030 . 1 . . . B 149 ARG HE . 11463 1 1473 . 2 2 109 109 ARG C C 13 179.445 0.300 . 1 . . . B 149 ARG C . 11463 1 1474 . 2 2 109 109 ARG CA C 13 58.736 0.300 . 1 . . . B 149 ARG CA . 11463 1 1475 . 2 2 109 109 ARG CB C 13 29.775 0.300 . 1 . . . B 149 ARG CB . 11463 1 1476 . 2 2 109 109 ARG CG C 13 27.333 0.300 . 1 . . . B 149 ARG CG . 11463 1 1477 . 2 2 109 109 ARG CD C 13 43.219 0.300 . 1 . . . B 149 ARG CD . 11463 1 1478 . 2 2 109 109 ARG N N 15 116.833 0.300 . 1 . . . B 149 ARG N . 11463 1 1479 . 2 2 109 109 ARG NE N 15 83.476 0.300 . 1 . . . B 149 ARG NE . 11463 1 1480 . 2 2 110 110 GLN H H 1 7.478 0.030 . 1 . . . B 150 GLN H . 11463 1 1481 . 2 2 110 110 GLN HA H 1 3.992 0.030 . 1 . . . B 150 GLN HA . 11463 1 1482 . 2 2 110 110 GLN HB2 H 1 2.202 0.030 . 2 . . . B 150 GLN HB2 . 11463 1 1483 . 2 2 110 110 GLN HB3 H 1 2.042 0.030 . 2 . . . B 150 GLN HB3 . 11463 1 1484 . 2 2 110 110 GLN HG2 H 1 2.428 0.030 . 2 . . . B 150 GLN HG2 . 11463 1 1485 . 2 2 110 110 GLN HG3 H 1 2.342 0.030 . 2 . . . B 150 GLN HG3 . 11463 1 1486 . 2 2 110 110 GLN HE21 H 1 6.914 0.030 . 2 . . . B 150 GLN HE21 . 11463 1 1487 . 2 2 110 110 GLN HE22 H 1 7.313 0.030 . 2 . . . B 150 GLN HE22 . 11463 1 1488 . 2 2 110 110 GLN C C 13 178.730 0.300 . 1 . . . B 150 GLN C . 11463 1 1489 . 2 2 110 110 GLN CA C 13 58.391 0.300 . 1 . . . B 150 GLN CA . 11463 1 1490 . 2 2 110 110 GLN CB C 13 28.318 0.300 . 1 . . . B 150 GLN CB . 11463 1 1491 . 2 2 110 110 GLN CG C 13 33.850 0.300 . 1 . . . B 150 GLN CG . 11463 1 1492 . 2 2 110 110 GLN N N 15 117.912 0.300 . 1 . . . B 150 GLN N . 11463 1 1493 . 2 2 110 110 GLN NE2 N 15 112.138 0.300 . 1 . . . B 150 GLN NE2 . 11463 1 1494 . 2 2 111 111 ALA H H 1 8.386 0.030 . 1 . . . B 151 ALA H . 11463 1 1495 . 2 2 111 111 ALA HA H 1 4.029 0.030 . 1 . . . B 151 ALA HA . 11463 1 1496 . 2 2 111 111 ALA HB1 H 1 1.447 0.030 . 1 . . . B 151 ALA HB1 . 11463 1 1497 . 2 2 111 111 ALA HB2 H 1 1.447 0.030 . 1 . . . B 151 ALA HB2 . 11463 1 1498 . 2 2 111 111 ALA HB3 H 1 1.447 0.030 . 1 . . . B 151 ALA HB3 . 11463 1 1499 . 2 2 111 111 ALA C C 13 180.308 0.300 . 1 . . . B 151 ALA C . 11463 1 1500 . 2 2 111 111 ALA CA C 13 54.816 0.300 . 1 . . . B 151 ALA CA . 11463 1 1501 . 2 2 111 111 ALA CB C 13 17.818 0.300 . 1 . . . B 151 ALA CB . 11463 1 1502 . 2 2 111 111 ALA N N 15 123.226 0.300 . 1 . . . B 151 ALA N . 11463 1 1503 . 2 2 112 112 GLU H H 1 8.132 0.030 . 1 . . . B 152 GLU H . 11463 1 1504 . 2 2 112 112 GLU HA H 1 3.997 0.030 . 1 . . . B 152 GLU HA . 11463 1 1505 . 2 2 112 112 GLU HB2 H 1 2.077 0.030 . 2 . . . B 152 GLU HB2 . 11463 1 1506 . 2 2 112 112 GLU HB3 H 1 1.996 0.030 . 2 . . . B 152 GLU HB3 . 11463 1 1507 . 2 2 112 112 GLU HG2 H 1 2.441 0.030 . 2 . . . B 152 GLU HG2 . 11463 1 1508 . 2 2 112 112 GLU HG3 H 1 2.232 0.030 . 2 . . . B 152 GLU HG3 . 11463 1 1509 . 2 2 112 112 GLU C C 13 178.657 0.300 . 1 . . . B 152 GLU C . 11463 1 1510 . 2 2 112 112 GLU CA C 13 58.393 0.300 . 1 . . . B 152 GLU CA . 11463 1 1511 . 2 2 112 112 GLU CB C 13 29.420 0.300 . 1 . . . B 152 GLU CB . 11463 1 1512 . 2 2 112 112 GLU CG C 13 36.422 0.300 . 1 . . . B 152 GLU CG . 11463 1 1513 . 2 2 112 112 GLU N N 15 117.983 0.300 . 1 . . . B 152 GLU N . 11463 1 1514 . 2 2 113 113 LYS H H 1 7.518 0.030 . 1 . . . B 153 LYS H . 11463 1 1515 . 2 2 113 113 LYS HA H 1 4.206 0.030 . 1 . . . B 153 LYS HA . 11463 1 1516 . 2 2 113 113 LYS HB2 H 1 1.942 0.030 . 2 . . . B 153 LYS HB2 . 11463 1 1517 . 2 2 113 113 LYS HB3 H 1 1.825 0.030 . 2 . . . B 153 LYS HB3 . 11463 1 1518 . 2 2 113 113 LYS HG2 H 1 1.536 0.030 . 2 . . . B 153 LYS HG2 . 11463 1 1519 . 2 2 113 113 LYS HG3 H 1 1.439 0.030 . 2 . . . B 153 LYS HG3 . 11463 1 1520 . 2 2 113 113 LYS HD2 H 1 1.633 0.030 . 1 . . . B 153 LYS HD2 . 11463 1 1521 . 2 2 113 113 LYS HD3 H 1 1.633 0.030 . 1 . . . B 153 LYS HD3 . 11463 1 1522 . 2 2 113 113 LYS HE2 H 1 2.914 0.030 . 1 . . . B 153 LYS HE2 . 11463 1 1523 . 2 2 113 113 LYS HE3 H 1 2.914 0.030 . 1 . . . B 153 LYS HE3 . 11463 1 1524 . 2 2 113 113 LYS C C 13 177.745 0.300 . 1 . . . B 153 LYS C . 11463 1 1525 . 2 2 113 113 LYS CA C 13 57.279 0.300 . 1 . . . B 153 LYS CA . 11463 1 1526 . 2 2 113 113 LYS CB C 13 32.437 0.300 . 1 . . . B 153 LYS CB . 11463 1 1527 . 2 2 113 113 LYS CG C 13 24.864 0.300 . 1 . . . B 153 LYS CG . 11463 1 1528 . 2 2 113 113 LYS CD C 13 29.022 0.300 . 1 . . . B 153 LYS CD . 11463 1 1529 . 2 2 113 113 LYS CE C 13 41.901 0.300 . 1 . . . B 153 LYS CE . 11463 1 1530 . 2 2 113 113 LYS N N 15 118.280 0.300 . 1 . . . B 153 LYS N . 11463 1 1531 . 2 2 114 114 MET H H 1 7.698 0.030 . 1 . . . B 154 MET H . 11463 1 1532 . 2 2 114 114 MET HA H 1 4.344 0.030 . 1 . . . B 154 MET HA . 11463 1 1533 . 2 2 114 114 MET HB2 H 1 2.163 0.030 . 1 . . . B 154 MET HB2 . 11463 1 1534 . 2 2 114 114 MET HB3 H 1 2.163 0.030 . 1 . . . B 154 MET HB3 . 11463 1 1535 . 2 2 114 114 MET HG2 H 1 2.721 0.030 . 2 . . . B 154 MET HG2 . 11463 1 1536 . 2 2 114 114 MET HG3 H 1 2.639 0.030 . 2 . . . B 154 MET HG3 . 11463 1 1537 . 2 2 114 114 MET HE1 H 1 2.024 0.030 . 1 . . . B 154 MET HE1 . 11463 1 1538 . 2 2 114 114 MET HE2 H 1 2.024 0.030 . 1 . . . B 154 MET HE2 . 11463 1 1539 . 2 2 114 114 MET HE3 H 1 2.024 0.030 . 1 . . . B 154 MET HE3 . 11463 1 1540 . 2 2 114 114 MET C C 13 176.851 0.300 . 1 . . . B 154 MET C . 11463 1 1541 . 2 2 114 114 MET CA C 13 56.801 0.300 . 1 . . . B 154 MET CA . 11463 1 1542 . 2 2 114 114 MET CB C 13 33.094 0.300 . 1 . . . B 154 MET CB . 11463 1 1543 . 2 2 114 114 MET CG C 13 31.951 0.300 . 1 . . . B 154 MET CG . 11463 1 1544 . 2 2 114 114 MET CE C 13 17.174 0.300 . 1 . . . B 154 MET CE . 11463 1 1545 . 2 2 114 114 MET N N 15 118.061 0.300 . 1 . . . B 154 MET N . 11463 1 1546 . 2 2 115 115 GLY H H 1 8.032 0.030 . 1 . . . B 155 GLY H . 11463 1 1547 . 2 2 115 115 GLY HA2 H 1 3.997 0.030 . 1 . . . B 155 GLY HA2 . 11463 1 1548 . 2 2 115 115 GLY HA3 H 1 3.997 0.030 . 1 . . . B 155 GLY HA3 . 11463 1 1549 . 2 2 115 115 GLY C C 13 174.108 0.300 . 1 . . . B 155 GLY C . 11463 1 1550 . 2 2 115 115 GLY CA C 13 45.337 0.300 . 1 . . . B 155 GLY CA . 11463 1 1551 . 2 2 115 115 GLY N N 15 108.242 0.300 . 1 . . . B 155 GLY N . 11463 1 1552 . 2 2 116 116 SER H H 1 8.195 0.030 . 1 . . . B 156 SER H . 11463 1 1553 . 2 2 116 116 SER HA H 1 4.479 0.030 . 1 . . . B 156 SER HA . 11463 1 1554 . 2 2 116 116 SER HB2 H 1 3.813 0.030 . 1 . . . B 156 SER HB2 . 11463 1 1555 . 2 2 116 116 SER HB3 H 1 3.813 0.030 . 1 . . . B 156 SER HB3 . 11463 1 1556 . 2 2 116 116 SER C C 13 174.627 0.300 . 1 . . . B 156 SER C . 11463 1 1557 . 2 2 116 116 SER CA C 13 58.176 0.300 . 1 . . . B 156 SER CA . 11463 1 1558 . 2 2 116 116 SER CB C 13 63.933 0.300 . 1 . . . B 156 SER CB . 11463 1 1559 . 2 2 116 116 SER N N 15 115.368 0.300 . 1 . . . B 156 SER N . 11463 1 1560 . 2 2 117 117 GLY H H 1 8.299 0.030 . 1 . . . B 157 GLY H . 11463 1 1561 . 2 2 117 117 GLY HA2 H 1 4.097 0.030 . 2 . . . B 157 GLY HA2 . 11463 1 1562 . 2 2 117 117 GLY HA3 H 1 4.053 0.030 . 2 . . . B 157 GLY HA3 . 11463 1 1563 . 2 2 117 117 GLY C C 13 174.612 0.300 . 1 . . . B 157 GLY C . 11463 1 1564 . 2 2 117 117 GLY CA C 13 44.612 0.300 . 1 . . . B 157 GLY CA . 11463 1 1565 . 2 2 117 117 GLY N N 15 110.618 0.300 . 1 . . . B 157 GLY N . 11463 1 1566 . 2 2 118 118 PRO HA H 1 4.444 0.030 . 1 . . . B 158 PRO HA . 11463 1 1567 . 2 2 118 118 PRO HB2 H 1 2.245 0.030 . 2 . . . B 158 PRO HB2 . 11463 1 1568 . 2 2 118 118 PRO HB3 H 1 1.945 0.030 . 2 . . . B 158 PRO HB3 . 11463 1 1569 . 2 2 118 118 PRO HG2 H 1 1.972 0.030 . 1 . . . B 158 PRO HG2 . 11463 1 1570 . 2 2 118 118 PRO HG3 H 1 1.972 0.030 . 1 . . . B 158 PRO HG3 . 11463 1 1571 . 2 2 118 118 PRO HD2 H 1 3.609 0.030 . 2 . . . B 158 PRO HD2 . 11463 1 1572 . 2 2 118 118 PRO HD3 H 1 3.561 0.030 . 2 . . . B 158 PRO HD3 . 11463 1 1573 . 2 2 118 118 PRO C C 13 177.373 0.300 . 1 . . . B 158 PRO C . 11463 1 1574 . 2 2 118 118 PRO CA C 13 63.121 0.300 . 1 . . . B 158 PRO CA . 11463 1 1575 . 2 2 118 118 PRO CB C 13 32.122 0.300 . 1 . . . B 158 PRO CB . 11463 1 1576 . 2 2 118 118 PRO CG C 13 27.092 0.300 . 1 . . . B 158 PRO CG . 11463 1 1577 . 2 2 118 118 PRO CD C 13 49.675 0.300 . 1 . . . B 158 PRO CD . 11463 1 1578 . 2 2 119 119 SER H H 1 8.591 0.030 . 1 . . . B 159 SER H . 11463 1 1579 . 2 2 119 119 SER HA H 1 4.422 0.030 . 1 . . . B 159 SER HA . 11463 1 1580 . 2 2 119 119 SER HB2 H 1 3.853 0.030 . 2 . . . B 159 SER HB2 . 11463 1 1581 . 2 2 119 119 SER HB3 H 1 3.814 0.030 . 2 . . . B 159 SER HB3 . 11463 1 1582 . 2 2 119 119 SER C C 13 174.707 0.300 . 1 . . . B 159 SER C . 11463 1 1583 . 2 2 119 119 SER CA C 13 58.605 0.300 . 1 . . . B 159 SER CA . 11463 1 1584 . 2 2 119 119 SER CB C 13 63.611 0.300 . 1 . . . B 159 SER CB . 11463 1 1585 . 2 2 119 119 SER N N 15 116.418 0.300 . 1 . . . B 159 SER N . 11463 1 1586 . 2 2 120 120 SER H H 1 8.368 0.030 . 1 . . . B 160 SER H . 11463 1 1587 . 2 2 120 120 SER HA H 1 4.468 0.030 . 1 . . . B 160 SER HA . 11463 1 1588 . 2 2 120 120 SER HB2 H 1 3.818 0.030 . 1 . . . B 160 SER HB2 . 11463 1 1589 . 2 2 120 120 SER HB3 H 1 3.818 0.030 . 1 . . . B 160 SER HB3 . 11463 1 1590 . 2 2 120 120 SER C C 13 173.957 0.300 . 1 . . . B 160 SER C . 11463 1 1591 . 2 2 120 120 SER CA C 13 58.251 0.300 . 1 . . . B 160 SER CA . 11463 1 1592 . 2 2 120 120 SER CB C 13 63.923 0.300 . 1 . . . B 160 SER CB . 11463 1 1593 . 2 2 120 120 SER N N 15 117.988 0.300 . 1 . . . B 160 SER N . 11463 1 1594 . 2 2 121 121 GLY H H 1 8.100 0.030 . 1 . . . B 161 GLY H . 11463 1 1595 . 2 2 121 121 GLY HA2 H 1 3.764 0.030 . 2 . . . B 161 GLY HA2 . 11463 1 1596 . 2 2 121 121 GLY HA3 H 1 3.717 0.030 . 2 . . . B 161 GLY HA3 . 11463 1 1597 . 2 2 121 121 GLY C C 13 179.028 0.300 . 1 . . . B 161 GLY C . 11463 1 1598 . 2 2 121 121 GLY CA C 13 46.007 0.300 . 1 . . . B 161 GLY CA . 11463 1 1599 . 2 2 121 121 GLY N N 15 116.843 0.300 . 1 . . . B 161 GLY N . 11463 1 stop_ save_