data_11011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11011 _Entry.Title ; Solution structure of the N-terminal soluble domains of Bacillus subtilis CopA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-29 _Entry.Accession_date 2007-10-29 _Entry.Last_release_date 2008-06-27 _Entry.Original_release_date 2008-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Solution structure of the N-terminal soluble domains of wild-type Bacillus subtilis CopA in the apo form ; _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 Chloe Singleton . . . 11011 2 Lucia Banci . . . 11011 3 Ivano Bertini . . . 11011 4 Simone Ciofi-Baffoni . . . 11011 5 Leonardo Tenori . . . 11011 6 Margaret Kihlken . A. . 11011 7 Ruth Boetzel . . . 11011 8 Nick 'Le Brun' . E. . 11011 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CopA . 11011 'P-type ATPase' . 11011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 11011 '15N chemical shifts' 149 11011 '1H chemical shifts' 875 11011 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 . . 2008-06-27 2007-10-29 original author . 11011 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1OQ3 'the structure of the S46V mutant of CopA' 11011 PDB 2RML 'BMRB Entry Tracking System' 11011 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11011 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18215122 _Citation.Full_citation . _Citation.Title 'Structure and Cu(I)-binding properties of the N-terminal soluble domains of Bacillus subtilis CopA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 411 _Citation.Journal_issue 3 _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 571 _Citation.Page_last 579 _Citation.Year 2008 _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 Chloe Singleton . . . 11011 1 2 Lucia Banci . . . 11011 1 3 Simone Ciofi-Baffoni . . . 11011 1 4 Leonardo Tenori . . . 11011 1 5 Margaret Kihlken . A. . 11011 1 6 Ruth Boetzel . . . 11011 1 7 Nick 'Le Brun' . E. . 11011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11011 _Assembly.ID 1 _Assembly.Name CopA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 11011 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RML . . . . . 'the structure of the wild type of the protein CopA' 11011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CopA _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 ; MLSEQKEIAMQVSGMTCAAC AARIEKGLKRMPGVTDANVN LATETSNVIYDPAETGTAAI QEKIEKLGYHVVTEKAEFDI EGMTCAACANRIEKRLNKIE GVANAPVNFALETVTVEYNP KEASVSDLKEAVDKLGYKLK LKGEQDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15936.320 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2RML . "Solution Structure Of The N-Terminal Soluble Domains Of Bacillus Subtilis Copa" . . . . . 100.00 147 100.00 100.00 4.96e-101 . . . . 11011 1 2 no DBJ BAI86922 . "hypothetical protein BSNT_09869 [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 804 99.32 99.32 4.04e-94 . . . . 11011 1 3 no DBJ BAM55428 . "copper transporter ATPase [Bacillus subtilis BEST7613]" . . . . . 100.00 803 100.00 100.00 6.90e-95 . . . . 11011 1 4 no DBJ BAM59441 . "copper transporter ATPase [Bacillus subtilis BEST7003]" . . . . . 99.32 802 99.32 100.00 1.18e-93 . . . . 11011 1 5 no DBJ GAK81833 . "copper transporter ATPase [Bacillus subtilis Miyagi-4]" . . . . . 100.00 804 99.32 99.32 4.04e-94 . . . . 11011 1 6 no EMBL CAB15355 . "copper transporter ATPase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 99.32 802 99.32 100.00 1.18e-93 . . . . 11011 1 7 no EMBL CCU60411 . "Cu+ P-type ATPase [Bacillus subtilis E1]" . . . . . 100.00 804 99.32 99.32 3.41e-94 . . . . 11011 1 8 no EMBL CEI58885 . "copper-exporting P-type ATPase A [Bacillus subtilis]" . . . . . 100.00 803 100.00 100.00 6.90e-95 . . . . 11011 1 9 no EMBL CEJ79011 . "copper-exporting P-type ATPase A [Bacillus sp.]" . . . . . 100.00 803 100.00 100.00 6.90e-95 . . . . 11011 1 10 no EMBL CJR54553 . "copper-transporting ATPase [Streptococcus pneumoniae]" . . . . . 100.00 804 99.32 99.32 3.10e-94 . . . . 11011 1 11 no GB ADV94160 . "copper transporter ATPase [Bacillus subtilis BSn5]" . . . . . 99.32 803 98.63 100.00 6.80e-93 . . . . 11011 1 12 no GB AEP92386 . "copper-translocating P-type ATPase [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 99.32 803 97.26 100.00 1.10e-91 . . . . 11011 1 13 no GB AFQ59202 . "Copper transporter ATPase [Bacillus subtilis QB928]" . . . . . 100.00 831 100.00 100.00 1.32e-94 . . . . 11011 1 14 no GB AGA23186 . "Cation-transporting ATPase [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 100.00 803 99.32 99.32 3.31e-94 . . . . 11011 1 15 no GB AGE64955 . "hypothetical protein C663_3220 [Bacillus subtilis XF-1]" . . . . . 100.00 804 99.32 99.32 2.60e-94 . . . . 11011 1 16 no REF NP_391230 . "copper-exporting P-type ATPase A [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 99.32 802 99.32 100.00 1.18e-93 . . . . 11011 1 17 no REF WP_003242925 . "MULTISPECIES: copper-exporting P-type ATPase A [Bacillus]" . . . . . 99.32 802 99.32 100.00 1.18e-93 . . . . 11011 1 18 no REF WP_014477985 . "ATPase P [Bacillus subtilis]" . . . . . 99.32 803 97.26 100.00 1.10e-91 . . . . 11011 1 19 no REF WP_015483692 . "hypothetical protein [Bacillus subtilis]" . . . . . 99.32 803 98.63 99.32 5.12e-93 . . . . 11011 1 20 no REF WP_015714705 . "ATPase P [Bacillus subtilis]" . . . . . 99.32 803 98.63 100.00 6.80e-93 . . . . 11011 1 21 no SP O32220 . "RecName: Full=Copper-exporting P-type ATPase A; Short=Protein CopA; AltName: Full=Cu(+)-exporting ATPase" . . . . . 99.32 802 99.32 100.00 1.18e-93 . . . . 11011 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 11011 1 2 . LEU . 11011 1 3 . SER . 11011 1 4 . GLU . 11011 1 5 . GLN . 11011 1 6 . LYS . 11011 1 7 . GLU . 11011 1 8 . ILE . 11011 1 9 . ALA . 11011 1 10 . MET . 11011 1 11 . GLN . 11011 1 12 . VAL . 11011 1 13 . SER . 11011 1 14 . GLY . 11011 1 15 . MET . 11011 1 16 . THR . 11011 1 17 . CYS . 11011 1 18 . ALA . 11011 1 19 . ALA . 11011 1 20 . CYS . 11011 1 21 . ALA . 11011 1 22 . ALA . 11011 1 23 . ARG . 11011 1 24 . ILE . 11011 1 25 . GLU . 11011 1 26 . LYS . 11011 1 27 . GLY . 11011 1 28 . LEU . 11011 1 29 . LYS . 11011 1 30 . ARG . 11011 1 31 . MET . 11011 1 32 . PRO . 11011 1 33 . GLY . 11011 1 34 . VAL . 11011 1 35 . THR . 11011 1 36 . ASP . 11011 1 37 . ALA . 11011 1 38 . ASN . 11011 1 39 . VAL . 11011 1 40 . ASN . 11011 1 41 . LEU . 11011 1 42 . ALA . 11011 1 43 . THR . 11011 1 44 . GLU . 11011 1 45 . THR . 11011 1 46 . SER . 11011 1 47 . ASN . 11011 1 48 . VAL . 11011 1 49 . ILE . 11011 1 50 . TYR . 11011 1 51 . ASP . 11011 1 52 . PRO . 11011 1 53 . ALA . 11011 1 54 . GLU . 11011 1 55 . THR . 11011 1 56 . GLY . 11011 1 57 . THR . 11011 1 58 . ALA . 11011 1 59 . ALA . 11011 1 60 . ILE . 11011 1 61 . GLN . 11011 1 62 . GLU . 11011 1 63 . LYS . 11011 1 64 . ILE . 11011 1 65 . GLU . 11011 1 66 . LYS . 11011 1 67 . LEU . 11011 1 68 . GLY . 11011 1 69 . TYR . 11011 1 70 . HIS . 11011 1 71 . VAL . 11011 1 72 . VAL . 11011 1 73 . THR . 11011 1 74 . GLU . 11011 1 75 . LYS . 11011 1 76 . ALA . 11011 1 77 . GLU . 11011 1 78 . PHE . 11011 1 79 . ASP . 11011 1 80 . ILE . 11011 1 81 . GLU . 11011 1 82 . GLY . 11011 1 83 . MET . 11011 1 84 . THR . 11011 1 85 . CYS . 11011 1 86 . ALA . 11011 1 87 . ALA . 11011 1 88 . CYS . 11011 1 89 . ALA . 11011 1 90 . ASN . 11011 1 91 . ARG . 11011 1 92 . ILE . 11011 1 93 . GLU . 11011 1 94 . LYS . 11011 1 95 . ARG . 11011 1 96 . LEU . 11011 1 97 . ASN . 11011 1 98 . LYS . 11011 1 99 . ILE . 11011 1 100 . GLU . 11011 1 101 . GLY . 11011 1 102 . VAL . 11011 1 103 . ALA . 11011 1 104 . ASN . 11011 1 105 . ALA . 11011 1 106 . PRO . 11011 1 107 . VAL . 11011 1 108 . ASN . 11011 1 109 . PHE . 11011 1 110 . ALA . 11011 1 111 . LEU . 11011 1 112 . GLU . 11011 1 113 . THR . 11011 1 114 . VAL . 11011 1 115 . THR . 11011 1 116 . VAL . 11011 1 117 . GLU . 11011 1 118 . TYR . 11011 1 119 . ASN . 11011 1 120 . PRO . 11011 1 121 . LYS . 11011 1 122 . GLU . 11011 1 123 . ALA . 11011 1 124 . SER . 11011 1 125 . VAL . 11011 1 126 . SER . 11011 1 127 . ASP . 11011 1 128 . LEU . 11011 1 129 . LYS . 11011 1 130 . GLU . 11011 1 131 . ALA . 11011 1 132 . VAL . 11011 1 133 . ASP . 11011 1 134 . LYS . 11011 1 135 . LEU . 11011 1 136 . GLY . 11011 1 137 . TYR . 11011 1 138 . LYS . 11011 1 139 . LEU . 11011 1 140 . LYS . 11011 1 141 . LEU . 11011 1 142 . LYS . 11011 1 143 . GLY . 11011 1 144 . GLU . 11011 1 145 . GLN . 11011 1 146 . ASP . 11011 1 147 . SER . 11011 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11011 1 . LEU 2 2 11011 1 . SER 3 3 11011 1 . GLU 4 4 11011 1 . GLN 5 5 11011 1 . LYS 6 6 11011 1 . GLU 7 7 11011 1 . ILE 8 8 11011 1 . ALA 9 9 11011 1 . MET 10 10 11011 1 . GLN 11 11 11011 1 . VAL 12 12 11011 1 . SER 13 13 11011 1 . GLY 14 14 11011 1 . MET 15 15 11011 1 . THR 16 16 11011 1 . CYS 17 17 11011 1 . ALA 18 18 11011 1 . ALA 19 19 11011 1 . CYS 20 20 11011 1 . ALA 21 21 11011 1 . ALA 22 22 11011 1 . ARG 23 23 11011 1 . ILE 24 24 11011 1 . GLU 25 25 11011 1 . LYS 26 26 11011 1 . GLY 27 27 11011 1 . LEU 28 28 11011 1 . LYS 29 29 11011 1 . ARG 30 30 11011 1 . MET 31 31 11011 1 . PRO 32 32 11011 1 . GLY 33 33 11011 1 . VAL 34 34 11011 1 . THR 35 35 11011 1 . ASP 36 36 11011 1 . ALA 37 37 11011 1 . ASN 38 38 11011 1 . VAL 39 39 11011 1 . ASN 40 40 11011 1 . LEU 41 41 11011 1 . ALA 42 42 11011 1 . THR 43 43 11011 1 . GLU 44 44 11011 1 . THR 45 45 11011 1 . SER 46 46 11011 1 . ASN 47 47 11011 1 . VAL 48 48 11011 1 . ILE 49 49 11011 1 . TYR 50 50 11011 1 . ASP 51 51 11011 1 . PRO 52 52 11011 1 . ALA 53 53 11011 1 . GLU 54 54 11011 1 . THR 55 55 11011 1 . GLY 56 56 11011 1 . THR 57 57 11011 1 . ALA 58 58 11011 1 . ALA 59 59 11011 1 . ILE 60 60 11011 1 . GLN 61 61 11011 1 . GLU 62 62 11011 1 . LYS 63 63 11011 1 . ILE 64 64 11011 1 . GLU 65 65 11011 1 . LYS 66 66 11011 1 . LEU 67 67 11011 1 . GLY 68 68 11011 1 . TYR 69 69 11011 1 . HIS 70 70 11011 1 . VAL 71 71 11011 1 . VAL 72 72 11011 1 . THR 73 73 11011 1 . GLU 74 74 11011 1 . LYS 75 75 11011 1 . ALA 76 76 11011 1 . GLU 77 77 11011 1 . PHE 78 78 11011 1 . ASP 79 79 11011 1 . ILE 80 80 11011 1 . GLU 81 81 11011 1 . GLY 82 82 11011 1 . MET 83 83 11011 1 . THR 84 84 11011 1 . CYS 85 85 11011 1 . ALA 86 86 11011 1 . ALA 87 87 11011 1 . CYS 88 88 11011 1 . ALA 89 89 11011 1 . ASN 90 90 11011 1 . ARG 91 91 11011 1 . ILE 92 92 11011 1 . GLU 93 93 11011 1 . LYS 94 94 11011 1 . ARG 95 95 11011 1 . LEU 96 96 11011 1 . ASN 97 97 11011 1 . LYS 98 98 11011 1 . ILE 99 99 11011 1 . GLU 100 100 11011 1 . GLY 101 101 11011 1 . VAL 102 102 11011 1 . ALA 103 103 11011 1 . ASN 104 104 11011 1 . ALA 105 105 11011 1 . PRO 106 106 11011 1 . VAL 107 107 11011 1 . ASN 108 108 11011 1 . PHE 109 109 11011 1 . ALA 110 110 11011 1 . LEU 111 111 11011 1 . GLU 112 112 11011 1 . THR 113 113 11011 1 . VAL 114 114 11011 1 . THR 115 115 11011 1 . VAL 116 116 11011 1 . GLU 117 117 11011 1 . TYR 118 118 11011 1 . ASN 119 119 11011 1 . PRO 120 120 11011 1 . LYS 121 121 11011 1 . GLU 122 122 11011 1 . ALA 123 123 11011 1 . SER 124 124 11011 1 . VAL 125 125 11011 1 . SER 126 126 11011 1 . ASP 127 127 11011 1 . LEU 128 128 11011 1 . LYS 129 129 11011 1 . GLU 130 130 11011 1 . ALA 131 131 11011 1 . VAL 132 132 11011 1 . ASP 133 133 11011 1 . LYS 134 134 11011 1 . LEU 135 135 11011 1 . GLY 136 136 11011 1 . TYR 137 137 11011 1 . LYS 138 138 11011 1 . LEU 139 139 11011 1 . LYS 140 140 11011 1 . LEU 141 141 11011 1 . LYS 142 142 11011 1 . GLY 143 143 11011 1 . GLU 144 144 11011 1 . GLN 145 145 11011 1 . ASP 146 146 11011 1 . SER 147 147 11011 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11011 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 11011 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 11011 _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 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 11011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11011 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 11011 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11011 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11011 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 11011 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 11011 1 pH 7 . pH 11011 1 pressure 1 . atm 11011 1 temperature 298 . K 11011 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 11011 _Software.ID 1 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 11011 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11011 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11011 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11011 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11011 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11011 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11011 1 2 spectrometer_2 Bruker Avance . 500 . . . 11011 1 3 spectrometer_3 Bruker Avance . 900 . . . 11011 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 11011 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11011 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11011 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11011 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11011 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11011 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11011 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11011 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11011 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11011 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 11011 _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 dioxane 'methylene carbons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 11011 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 11011 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 11011 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 11011 _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 2 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11011 1 5 '3D HNCA' 1 $sample_1 isotropic 11011 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 11011 1 7 '3D HNCACB' 1 $sample_1 isotropic 11011 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 3 3 SER N N 15 117.204 0.2 . 1 . . . . 3 . N . 11011 1 2 . 1 1 3 3 SER H H 1 8.258 0.01 . 1 . . . . 3 . H . 11011 1 3 . 1 1 3 3 SER CA C 13 55.486 0.2 . 1 . . . . 3 . CA . 11011 1 4 . 1 1 3 3 SER HA H 1 4.305 0.01 . 1 . . . . 3 . HA . 11011 1 5 . 1 1 3 3 SER HB2 H 1 3.699 0.01 . 1 . . . . 3 . QB . 11011 1 6 . 1 1 3 3 SER HB3 H 1 3.699 0.01 . 1 . . . . 3 . QB . 11011 1 7 . 1 1 4 4 GLU N N 15 123.100 0.2 . 1 . . . . 4 . N . 11011 1 8 . 1 1 4 4 GLU H H 1 8.420 0.01 . 1 . . . . 4 . H . 11011 1 9 . 1 1 4 4 GLU CA C 13 53.607 0.2 . 1 . . . . 4 . CA . 11011 1 10 . 1 1 4 4 GLU HA H 1 4.176 0.01 . 1 . . . . 4 . HA . 11011 1 11 . 1 1 4 4 GLU CB C 13 28.241 0.2 . 1 . . . . 4 . CB . 11011 1 12 . 1 1 4 4 GLU HB2 H 1 1.808 0.01 . 1 . . . . 4 . HB2 . 11011 1 13 . 1 1 4 4 GLU HB3 H 1 1.706 0.01 . 1 . . . . 4 . HB3 . 11011 1 14 . 1 1 4 4 GLU CG C 13 33.565 0.2 . 1 . . . . 4 . CG . 11011 1 15 . 1 1 4 4 GLU HG2 H 1 2.101 0.01 . 1 . . . . 4 . HG2 . 11011 1 16 . 1 1 4 4 GLU HG3 H 1 2.057 0.01 . 1 . . . . 4 . HG3 . 11011 1 17 . 1 1 5 5 GLN N N 15 119.219 0.2 . 1 . . . . 5 . N . 11011 1 18 . 1 1 5 5 GLN H H 1 7.977 0.01 . 1 . . . . 5 . H . 11011 1 19 . 1 1 5 5 GLN CA C 13 52.354 0.2 . 1 . . . . 5 . CA . 11011 1 20 . 1 1 5 5 GLN HA H 1 4.543 0.01 . 1 . . . . 5 . HA . 11011 1 21 . 1 1 5 5 GLN CB C 13 27.928 0.2 . 1 . . . . 5 . CB . 11011 1 22 . 1 1 5 5 GLN HB2 H 1 1.859 0.01 . 1 . . . . 5 . HB2 . 11011 1 23 . 1 1 5 5 GLN HB3 H 1 1.618 0.01 . 1 . . . . 5 . HB3 . 11011 1 24 . 1 1 5 5 GLN CG C 13 31.686 0.2 . 1 . . . . 5 . CG . 11011 1 25 . 1 1 5 5 GLN HG2 H 1 2.086 0.01 . 1 . . . . 5 . HG2 . 11011 1 26 . 1 1 5 5 GLN HG3 H 1 1.991 0.01 . 1 . . . . 5 . HG3 . 11011 1 27 . 1 1 5 5 GLN NE2 N 15 110.964 0.2 . 1 . . . . 5 . NE2 . 11011 1 28 . 1 1 5 5 GLN HE21 H 1 7.324 0.01 . 1 . . . . 5 . HE21 . 11011 1 29 . 1 1 5 5 GLN HE22 H 1 6.521 0.01 . 1 . . . . 5 . HE22 . 11011 1 30 . 1 1 6 6 LYS N N 15 123.011 0.2 . 1 . . . . 6 . N . 11011 1 31 . 1 1 6 6 LYS H H 1 8.551 0.01 . 1 . . . . 6 . H . 11011 1 32 . 1 1 6 6 LYS CA C 13 51.415 0.2 . 1 . . . . 6 . CA . 11011 1 33 . 1 1 6 6 LYS HA H 1 4.348 0.01 . 1 . . . . 6 . HA . 11011 1 34 . 1 1 6 6 LYS CB C 13 32.939 0.2 . 1 . . . . 6 . CB . 11011 1 35 . 1 1 6 6 LYS HB2 H 1 1.178 0.01 . 1 . . . . 6 . HB2 . 11011 1 36 . 1 1 6 6 LYS CG C 13 22.918 0.2 . 1 . . . . 6 . CG . 11011 1 37 . 1 1 6 6 LYS HG2 H 1 1.120 0.01 . 1 . . . . 6 . QG . 11011 1 38 . 1 1 6 6 LYS HG3 H 1 1.120 0.01 . 1 . . . . 6 . QG . 11011 1 39 . 1 1 6 6 LYS CD C 13 26.362 0.2 . 1 . . . . 6 . CD . 11011 1 40 . 1 1 6 6 LYS HD2 H 1 1.575 0.01 . 1 . . . . 6 . QD . 11011 1 41 . 1 1 6 6 LYS HD3 H 1 1.575 0.01 . 1 . . . . 6 . QD . 11011 1 42 . 1 1 6 6 LYS CE C 13 39.515 0.2 . 1 . . . . 6 . CE . 11011 1 43 . 1 1 6 6 LYS HE2 H 1 2.914 0.01 . 1 . . . . 6 . QE . 11011 1 44 . 1 1 6 6 LYS HE3 H 1 2.914 0.01 . 1 . . . . 6 . QE . 11011 1 45 . 1 1 7 7 GLU N N 15 120.121 0.2 . 1 . . . . 7 . N . 11011 1 46 . 1 1 7 7 GLU H H 1 8.127 0.01 . 1 . . . . 7 . H . 11011 1 47 . 1 1 7 7 GLU CA C 13 51.415 0.2 . 1 . . . . 7 . CA . 11011 1 48 . 1 1 7 7 GLU HA H 1 5.483 0.01 . 1 . . . . 7 . HA . 11011 1 49 . 1 1 7 7 GLU CB C 13 29.807 0.2 . 1 . . . . 7 . CB . 11011 1 50 . 1 1 7 7 GLU HB2 H 1 1.857 0.01 . 1 . . . . 7 . HB2 . 11011 1 51 . 1 1 7 7 GLU HB3 H 1 1.711 0.01 . 1 . . . . 7 . HB3 . 11011 1 52 . 1 1 7 7 GLU CG C 13 33.565 0.2 . 1 . . . . 7 . CG . 11011 1 53 . 1 1 7 7 GLU HG2 H 1 1.947 0.01 . 1 . . . . 7 . QG . 11011 1 54 . 1 1 7 7 GLU HG3 H 1 1.947 0.01 . 1 . . . . 7 . QG . 11011 1 55 . 1 1 8 8 ILE N N 15 122.386 0.2 . 1 . . . . 8 . N . 11011 1 56 . 1 1 8 8 ILE H H 1 9.080 0.01 . 1 . . . . 8 . H . 11011 1 57 . 1 1 8 8 ILE CA C 13 55.304 0.2 . 1 . . . . 8 . CA . 11011 1 58 . 1 1 8 8 ILE HA H 1 4.748 0.01 . 1 . . . . 8 . HA . 11011 1 59 . 1 1 8 8 ILE CB C 13 39.828 0.2 . 1 . . . . 8 . CB . 11011 1 60 . 1 1 8 8 ILE HB H 1 1.770 0.01 . 1 . . . . 8 . HB . 11011 1 61 . 1 1 8 8 ILE HG21 H 1 0.851 0.01 . 1 . . . . 8 . HG2 . 11011 1 62 . 1 1 8 8 ILE HG22 H 1 0.851 0.01 . 1 . . . . 8 . HG2 . 11011 1 63 . 1 1 8 8 ILE HG23 H 1 0.851 0.01 . 1 . . . . 8 . HG2 . 11011 1 64 . 1 1 8 8 ILE CG2 C 13 15.402 0.2 . 1 . . . . 8 . CG2 . 11011 1 65 . 1 1 8 8 ILE CG1 C 13 25.423 0.2 . 1 . . . . 8 . CG1 . 11011 1 66 . 1 1 8 8 ILE HG12 H 1 1.219 0.01 . 1 . . . . 8 . HG12 . 11011 1 67 . 1 1 8 8 ILE HG13 H 1 1.059 0.01 . 1 . . . . 8 . HG13 . 11011 1 68 . 1 1 8 8 ILE HD11 H 1 0.825 0.01 . 1 . . . . 8 . HD1 . 11011 1 69 . 1 1 8 8 ILE HD12 H 1 0.825 0.01 . 1 . . . . 8 . HD1 . 11011 1 70 . 1 1 8 8 ILE HD13 H 1 0.825 0.01 . 1 . . . . 8 . HD1 . 11011 1 71 . 1 1 8 8 ILE CD1 C 13 11.957 0.2 . 1 . . . . 8 . CD1 . 11011 1 72 . 1 1 9 9 ALA N N 15 129.419 0.2 . 1 . . . . 9 . N . 11011 1 73 . 1 1 9 9 ALA H H 1 8.590 0.01 . 1 . . . . 9 . H . 11011 1 74 . 1 1 9 9 ALA CA C 13 47.344 0.2 . 1 . . . . 9 . CA . 11011 1 75 . 1 1 9 9 ALA HA H 1 5.421 0.01 . 1 . . . . 9 . HA . 11011 1 76 . 1 1 9 9 ALA CB C 13 18.847 0.2 . 1 . . . . 9 . CB . 11011 1 77 . 1 1 10 10 MET N N 15 117.180 0.2 . 1 . . . . 10 . N . 11011 1 78 . 1 1 10 10 MET H H 1 8.610 0.01 . 1 . . . . 10 . H . 11011 1 79 . 1 1 10 10 MET CA C 13 51.728 0.2 . 1 . . . . 10 . CA . 11011 1 80 . 1 1 10 10 MET HA H 1 4.566 0.01 . 1 . . . . 10 . HA . 11011 1 81 . 1 1 10 10 MET CB C 13 33.660 0.2 . 1 . . . . 10 . CB . 11011 1 82 . 1 1 10 10 MET HB2 H 1 1.765 0.01 . 1 . . . . 10 . HB2 . 11011 1 83 . 1 1 10 10 MET HB3 H 1 1.459 0.01 . 1 . . . . 10 . HB3 . 11011 1 84 . 1 1 10 10 MET CG C 13 29.494 0.2 . 1 . . . . 10 . CG . 11011 1 85 . 1 1 10 10 MET HG2 H 1 2.615 0.01 . 1 . . . . 10 . HG2 . 11011 1 86 . 1 1 10 10 MET HG3 H 1 1.991 0.01 . 1 . . . . 10 . HG3 . 11011 1 87 . 1 1 10 10 MET C C 13 171.147 0.2 . 1 . . . . 10 . C . 11011 1 88 . 1 1 11 11 GLN N N 15 126.515 0.2 . 1 . . . . 11 . N . 11011 1 89 . 1 1 11 11 GLN H H 1 9.833 0.01 . 1 . . . . 11 . H . 11011 1 90 . 1 1 11 11 GLN CA C 13 52.348 0.2 . 1 . . . . 11 . CA . 11011 1 91 . 1 1 11 11 GLN HA H 1 4.996 0.01 . 1 . . . . 11 . HA . 11011 1 92 . 1 1 11 11 GLN CB C 13 26.258 0.2 . 1 . . . . 11 . CB . 11011 1 93 . 1 1 11 11 GLN HB2 H 1 1.938 0.01 . 1 . . . . 11 . HB2 . 11011 1 94 . 1 1 11 11 GLN HB3 H 1 1.813 0.01 . 1 . . . . 11 . HB3 . 11011 1 95 . 1 1 11 11 GLN CG C 13 31.373 0.2 . 1 . . . . 11 . CG . 11011 1 96 . 1 1 11 11 GLN HG2 H 1 2.447 0.01 . 1 . . . . 11 . HG2 . 11011 1 97 . 1 1 11 11 GLN HG3 H 1 2.137 0.01 . 1 . . . . 11 . HG3 . 11011 1 98 . 1 1 11 11 GLN NE2 N 15 109.957 0.2 . 1 . . . . 11 . NE2 . 11011 1 99 . 1 1 11 11 GLN HE21 H 1 7.425 0.01 . 1 . . . . 11 . HE21 . 11011 1 100 . 1 1 11 11 GLN HE22 H 1 6.677 0.01 . 1 . . . . 11 . HE22 . 11011 1 101 . 1 1 12 12 VAL N N 15 126.021 0.2 . 1 . . . . 12 . N . 11011 1 102 . 1 1 12 12 VAL H H 1 8.543 0.01 . 1 . . . . 12 . H . 11011 1 103 . 1 1 12 12 VAL CA C 13 57.784 0.2 . 1 . . . . 12 . CA . 11011 1 104 . 1 1 12 12 VAL HA H 1 4.883 0.01 . 1 . . . . 12 . HA . 11011 1 105 . 1 1 12 12 VAL CB C 13 32.336 0.2 . 1 . . . . 12 . CB . 11011 1 106 . 1 1 12 12 VAL HB H 1 1.490 0.01 . 1 . . . . 12 . HB . 11011 1 107 . 1 1 12 12 VAL HG11 H 1 0.653 0.01 . 1 . . . . 12 . HG1 . 11011 1 108 . 1 1 12 12 VAL HG12 H 1 0.653 0.01 . 1 . . . . 12 . HG1 . 11011 1 109 . 1 1 12 12 VAL HG13 H 1 0.653 0.01 . 1 . . . . 12 . HG1 . 11011 1 110 . 1 1 12 12 VAL HG21 H 1 0.618 0.01 . 1 . . . . 12 . HG2 . 11011 1 111 . 1 1 12 12 VAL HG22 H 1 0.618 0.01 . 1 . . . . 12 . HG2 . 11011 1 112 . 1 1 12 12 VAL HG23 H 1 0.618 0.01 . 1 . . . . 12 . HG2 . 11011 1 113 . 1 1 12 12 VAL CG1 C 13 19.473 0.2 . 1 . . . . 12 . CG1 . 11011 1 114 . 1 1 12 12 VAL CG2 C 13 19.473 0.2 . 1 . . . . 12 . CG2 . 11011 1 115 . 1 1 13 13 SER N N 15 123.405 0.2 . 1 . . . . 13 . N . 11011 1 116 . 1 1 13 13 SER H H 1 9.578 0.01 . 1 . . . . 13 . H . 11011 1 117 . 1 1 13 13 SER CA C 13 54.231 0.2 . 1 . . . . 13 . CA . 11011 1 118 . 1 1 13 13 SER HA H 1 4.837 0.01 . 1 . . . . 13 . HA . 11011 1 119 . 1 1 13 13 SER CB C 13 63.001 0.2 . 1 . . . . 13 . CB . 11011 1 120 . 1 1 13 13 SER HB2 H 1 3.761 0.01 . 1 . . . . 13 . HB2 . 11011 1 121 . 1 1 13 13 SER HB3 H 1 3.614 0.01 . 1 . . . . 13 . HB3 . 11011 1 122 . 1 1 14 14 GLY N N 15 109.560 0.2 . 1 . . . . 14 . N . 11011 1 123 . 1 1 14 14 GLY H H 1 8.533 0.01 . 1 . . . . 14 . H . 11011 1 124 . 1 1 14 14 GLY HA2 H 1 4.649 0.01 . 1 . . . . 14 . QA . 11011 1 125 . 1 1 14 14 GLY HA3 H 1 4.649 0.01 . 1 . . . . 14 . QA . 11011 1 126 . 1 1 14 14 GLY CA C 13 42.187 0.2 . 1 . . . . 14 . CA . 11011 1 127 . 1 1 15 15 MET N N 15 120.595 0.2 . 1 . . . . 15 . N . 11011 1 128 . 1 1 15 15 MET H H 1 9.073 0.01 . 1 . . . . 15 . H . 11011 1 129 . 1 1 15 15 MET CA C 13 54.170 0.2 . 1 . . . . 15 . CA . 11011 1 130 . 1 1 15 15 MET HA H 1 4.809 0.01 . 1 . . . . 15 . HA . 11011 1 131 . 1 1 15 15 MET CB C 13 31.585 0.2 . 1 . . . . 15 . CB . 11011 1 132 . 1 1 15 15 MET HB2 H 1 2.392 0.01 . 1 . . . . 15 . HB2 . 11011 1 133 . 1 1 15 15 MET HB3 H 1 1.375 0.01 . 1 . . . . 15 . HB3 . 11011 1 134 . 1 1 15 15 MET CG C 13 28.554 0.2 . 1 . . . . 15 . CG . 11011 1 135 . 1 1 15 15 MET HG2 H 1 2.011 0.01 . 1 . . . . 15 . HG2 . 11011 1 136 . 1 1 15 15 MET HG3 H 1 1.427 0.01 . 1 . . . . 15 . HG3 . 11011 1 137 . 1 1 16 16 THR N N 15 118.833 0.2 . 1 . . . . 16 . N . 11011 1 138 . 1 1 16 16 THR H H 1 10.535 0.01 . 1 . . . . 16 . H . 11011 1 139 . 1 1 16 16 THR CA C 13 59.287 0.2 . 1 . . . . 16 . CA . 11011 1 140 . 1 1 16 16 THR HA H 1 4.675 0.01 . 1 . . . . 16 . HA . 11011 1 141 . 1 1 16 16 THR CB C 13 68.134 0.2 . 1 . . . . 16 . CB . 11011 1 142 . 1 1 16 16 THR HB H 1 4.264 0.01 . 1 . . . . 16 . HB . 11011 1 143 . 1 1 16 16 THR HG21 H 1 0.833 0.01 . 1 . . . . 16 . HG2 . 11011 1 144 . 1 1 16 16 THR HG22 H 1 0.833 0.01 . 1 . . . . 16 . HG2 . 11011 1 145 . 1 1 16 16 THR HG23 H 1 0.833 0.01 . 1 . . . . 16 . HG2 . 11011 1 146 . 1 1 16 16 THR CG2 C 13 18.847 0.2 . 1 . . . . 16 . CG2 . 11011 1 147 . 1 1 20 20 CYS N N 15 122.385 0.2 . 1 . . . . 20 . N . 11011 1 148 . 1 1 20 20 CYS H H 1 7.671 0.01 . 1 . . . . 20 . H . 11011 1 149 . 1 1 20 20 CYS CA C 13 61.940 0.2 . 1 . . . . 20 . CA . 11011 1 150 . 1 1 20 20 CYS HA H 1 4.003 0.01 . 1 . . . . 20 . HA . 11011 1 151 . 1 1 20 20 CYS CB C 13 26.676 0.2 . 1 . . . . 20 . CB . 11011 1 152 . 1 1 20 20 CYS HB2 H 1 3.186 0.01 . 1 . . . . 20 . HB2 . 11011 1 153 . 1 1 20 20 CYS HB3 H 1 2.583 0.01 . 1 . . . . 20 . HB3 . 11011 1 154 . 1 1 21 21 ALA N N 15 119.087 0.2 . 1 . . . . 21 . N . 11011 1 155 . 1 1 21 21 ALA H H 1 6.493 0.01 . 1 . . . . 21 . H . 11011 1 156 . 1 1 21 21 ALA CA C 13 52.354 0.2 . 1 . . . . 21 . CA . 11011 1 157 . 1 1 21 21 ALA HA H 1 3.738 0.01 . 1 . . . . 21 . HA . 11011 1 158 . 1 1 21 21 ALA CB C 13 15.402 0.2 . 1 . . . . 21 . CB . 11011 1 159 . 1 1 22 22 ALA N N 15 117.982 0.2 . 1 . . . . 22 . N . 11011 1 160 . 1 1 22 22 ALA H H 1 7.699 0.01 . 1 . . . . 22 . H . 11011 1 161 . 1 1 22 22 ALA CA C 13 51.491 0.2 . 1 . . . . 22 . CA . 11011 1 162 . 1 1 22 22 ALA HA H 1 4.111 0.01 . 1 . . . . 22 . HA . 11011 1 163 . 1 1 22 22 ALA CB C 13 16.302 0.2 . 1 . . . . 22 . CB . 11011 1 164 . 1 1 23 23 ARG N N 15 117.198 0.2 . 1 . . . . 23 . N . 11011 1 165 . 1 1 23 23 ARG H H 1 8.329 0.01 . 1 . . . . 23 . H . 11011 1 166 . 1 1 23 23 ARG CA C 13 50.607 0.2 . 1 . . . . 23 . CA . 11011 1 167 . 1 1 23 23 ARG HA H 1 3.878 0.01 . 1 . . . . 23 . HA . 11011 1 168 . 1 1 23 23 ARG CB C 13 35.732 0.2 . 1 . . . . 23 . CB . 11011 1 169 . 1 1 23 23 ARG HB2 H 1 1.941 0.01 . 1 . . . . 23 . HB2 . 11011 1 170 . 1 1 23 23 ARG HB3 H 1 1.910 0.01 . 1 . . . . 23 . HB3 . 11011 1 171 . 1 1 23 23 ARG CG C 13 25.423 0.2 . 1 . . . . 23 . CG . 11011 1 172 . 1 1 23 23 ARG HG2 H 1 1.756 0.01 . 1 . . . . 23 . HG2 . 11011 1 173 . 1 1 23 23 ARG HG3 H 1 1.520 0.01 . 1 . . . . 23 . HG3 . 11011 1 174 . 1 1 23 23 ARG CD C 13 41.081 0.2 . 1 . . . . 23 . CD . 11011 1 175 . 1 1 23 23 ARG HD2 H 1 3.399 0.01 . 1 . . . . 23 . HD2 . 11011 1 176 . 1 1 23 23 ARG HD3 H 1 3.303 0.01 . 1 . . . . 23 . HD3 . 11011 1 177 . 1 1 24 24 ILE N N 15 119.567 0.2 . 1 . . . . 24 . N . 11011 1 178 . 1 1 24 24 ILE H H 1 7.800 0.01 . 1 . . . . 24 . H . 11011 1 179 . 1 1 24 24 ILE CA C 13 59.652 0.2 . 1 . . . . 24 . CA . 11011 1 180 . 1 1 24 24 ILE HA H 1 3.423 0.01 . 1 . . . . 24 . HA . 11011 1 181 . 1 1 24 24 ILE CB C 13 29.733 0.2 . 1 . . . . 24 . CB . 11011 1 182 . 1 1 24 24 ILE HB H 1 1.530 0.01 . 1 . . . . 24 . HB . 11011 1 183 . 1 1 24 24 ILE HG21 H 1 0.454 0.01 . 1 . . . . 24 . HG2 . 11011 1 184 . 1 1 24 24 ILE HG22 H 1 0.454 0.01 . 1 . . . . 24 . HG2 . 11011 1 185 . 1 1 24 24 ILE HG23 H 1 0.454 0.01 . 1 . . . . 24 . HG2 . 11011 1 186 . 1 1 24 24 ILE CG2 C 13 15.089 0.2 . 1 . . . . 24 . CG2 . 11011 1 187 . 1 1 24 24 ILE CG1 C 13 27.928 0.2 . 1 . . . . 24 . CG1 . 11011 1 188 . 1 1 24 24 ILE HG12 H 1 1.457 0.01 . 1 . . . . 24 . HG12 . 11011 1 189 . 1 1 24 24 ILE HG13 H 1 0.298 0.01 . 1 . . . . 24 . HG13 . 11011 1 190 . 1 1 24 24 ILE HD11 H 1 -0.143 0.01 . 1 . . . . 24 . HD1 . 11011 1 191 . 1 1 24 24 ILE HD12 H 1 -0.143 0.01 . 1 . . . . 24 . HD1 . 11011 1 192 . 1 1 24 24 ILE HD13 H 1 -0.143 0.01 . 1 . . . . 24 . HD1 . 11011 1 193 . 1 1 24 24 ILE CD1 C 13 11.018 0.2 . 1 . . . . 24 . CD1 . 11011 1 194 . 1 1 25 25 GLU N N 15 117.400 0.2 . 1 . . . . 25 . N . 11011 1 195 . 1 1 25 25 GLU H H 1 8.218 0.01 . 1 . . . . 25 . H . 11011 1 196 . 1 1 25 25 GLU CA C 13 58.304 0.2 . 1 . . . . 25 . CA . 11011 1 197 . 1 1 25 25 GLU HA H 1 3.677 0.01 . 1 . . . . 25 . HA . 11011 1 198 . 1 1 25 25 GLU CB C 13 27.302 0.2 . 1 . . . . 25 . CB . 11011 1 199 . 1 1 25 25 GLU HB2 H 1 1.923 0.01 . 1 . . . . 25 . HB2 . 11011 1 200 . 1 1 25 25 GLU HB3 H 1 1.761 0.01 . 1 . . . . 25 . HB3 . 11011 1 201 . 1 1 25 25 GLU CG C 13 34.817 0.2 . 1 . . . . 25 . CG . 11011 1 202 . 1 1 25 25 GLU HG2 H 1 2.226 0.01 . 1 . . . . 25 . HG2 . 11011 1 203 . 1 1 25 25 GLU HG3 H 1 1.789 0.01 . 1 . . . . 25 . HG3 . 11011 1 204 . 1 1 26 26 LYS N N 15 116.988 0.2 . 1 . . . . 26 . N . 11011 1 205 . 1 1 26 26 LYS H H 1 8.234 0.01 . 1 . . . . 26 . H . 11011 1 206 . 1 1 26 26 LYS CA C 13 56.738 0.2 . 1 . . . . 26 . CA . 11011 1 207 . 1 1 26 26 LYS HA H 1 3.883 0.01 . 1 . . . . 26 . HA . 11011 1 208 . 1 1 26 26 LYS CB C 13 29.494 0.2 . 1 . . . . 26 . CB . 11011 1 209 . 1 1 26 26 LYS HB2 H 1 1.769 0.01 . 1 . . . . 26 . HB2 . 11011 1 210 . 1 1 26 26 LYS HB3 H 1 1.681 0.01 . 1 . . . . 26 . HB3 . 11011 1 211 . 1 1 26 26 LYS CG C 13 22.605 0.2 . 1 . . . . 26 . CG . 11011 1 212 . 1 1 26 26 LYS HG2 H 1 1.482 0.01 . 1 . . . . 26 . HG2 . 11011 1 213 . 1 1 26 26 LYS HG3 H 1 1.316 0.01 . 1 . . . . 26 . HG3 . 11011 1 214 . 1 1 26 26 LYS HD2 H 1 1.527 0.01 . 1 . . . . 26 . QD . 11011 1 215 . 1 1 26 26 LYS HD3 H 1 1.527 0.01 . 1 . . . . 26 . QD . 11011 1 216 . 1 1 26 26 LYS HE2 H 1 3.198 0.01 . 1 . . . . 26 . HE2 . 11011 1 217 . 1 1 26 26 LYS HE3 H 1 2.874 0.01 . 1 . . . . 26 . HE3 . 11011 1 218 . 1 1 27 27 GLY N N 15 104.924 0.2 . 1 . . . . 27 . N . 11011 1 219 . 1 1 27 27 GLY H H 1 7.776 0.01 . 1 . . . . 27 . H . 11011 1 220 . 1 1 27 27 GLY CA C 13 44.212 0.2 . 1 . . . . 27 . CA . 11011 1 221 . 1 1 27 27 GLY HA3 H 1 3.720 0.01 . 1 . . . . 27 . HA3 . 11011 1 222 . 1 1 27 27 GLY HA2 H 1 3.383 0.01 . 1 . . . . 27 . HA2 . 11011 1 223 . 1 1 28 28 LEU N N 15 120.662 0.2 . 1 . . . . 28 . N . 11011 1 224 . 1 1 28 28 LEU H H 1 8.297 0.01 . 1 . . . . 28 . H . 11011 1 225 . 1 1 28 28 LEU CA C 13 54.657 0.2 . 1 . . . . 28 . CA . 11011 1 226 . 1 1 28 28 LEU HA H 1 4.160 0.01 . 1 . . . . 28 . HA . 11011 1 227 . 1 1 28 28 LEU CB C 13 39.672 0.2 . 1 . . . . 28 . CB . 11011 1 228 . 1 1 28 28 LEU HB2 H 1 1.643 0.01 . 1 . . . . 28 . HB2 . 11011 1 229 . 1 1 28 28 LEU HB3 H 1 0.877 0.01 . 1 . . . . 28 . HB3 . 11011 1 230 . 1 1 28 28 LEU CG C 13 24.483 0.2 . 1 . . . . 28 . CG . 11011 1 231 . 1 1 28 28 LEU HG H 1 0.477 0.01 . 1 . . . . 28 . HG . 11011 1 232 . 1 1 28 28 LEU HD11 H 1 0.741 0.01 . 1 . . . . 28 . HD1 . 11011 1 233 . 1 1 28 28 LEU HD12 H 1 0.741 0.01 . 1 . . . . 28 . HD1 . 11011 1 234 . 1 1 28 28 LEU HD13 H 1 0.741 0.01 . 1 . . . . 28 . HD1 . 11011 1 235 . 1 1 28 28 LEU HD21 H 1 0.727 0.01 . 1 . . . . 28 . HD2 . 11011 1 236 . 1 1 28 28 LEU HD22 H 1 0.727 0.01 . 1 . . . . 28 . HD2 . 11011 1 237 . 1 1 28 28 LEU HD23 H 1 0.727 0.01 . 1 . . . . 28 . HD2 . 11011 1 238 . 1 1 28 28 LEU CD1 C 13 20.412 0.2 . 1 . . . . 28 . CD1 . 11011 1 239 . 1 1 28 28 LEU CD2 C 13 20.412 0.2 . 1 . . . . 28 . CD2 . 11011 1 240 . 1 1 29 29 LYS N N 15 115.035 0.2 . 1 . . . . 29 . N . 11011 1 241 . 1 1 29 29 LYS H H 1 7.976 0.01 . 1 . . . . 29 . H . 11011 1 242 . 1 1 29 29 LYS CA C 13 56.738 0.2 . 1 . . . . 29 . CA . 11011 1 243 . 1 1 29 29 LYS HA H 1 3.647 0.01 . 1 . . . . 29 . HA . 11011 1 244 . 1 1 29 29 LYS CB C 13 29.807 0.2 . 1 . . . . 29 . CB . 11011 1 245 . 1 1 29 29 LYS HB2 H 1 1.816 0.01 . 1 . . . . 29 . HB2 . 11011 1 246 . 1 1 29 29 LYS HB3 H 1 1.688 0.01 . 1 . . . . 29 . HB3 . 11011 1 247 . 1 1 29 29 LYS CG C 13 25.110 0.2 . 1 . . . . 29 . CG . 11011 1 248 . 1 1 29 29 LYS HG2 H 1 1.190 0.01 . 1 . . . . 29 . QG . 11011 1 249 . 1 1 29 29 LYS HG3 H 1 1.190 0.01 . 1 . . . . 29 . QG . 11011 1 250 . 1 1 29 29 LYS CD C 13 26.989 0.2 . 1 . . . . 29 . CD . 11011 1 251 . 1 1 29 29 LYS HD2 H 1 1.680 0.01 . 1 . . . . 29 . QD . 11011 1 252 . 1 1 29 29 LYS HD3 H 1 1.680 0.01 . 1 . . . . 29 . QD . 11011 1 253 . 1 1 29 29 LYS CE C 13 39.202 0.2 . 1 . . . . 29 . CE . 11011 1 254 . 1 1 29 29 LYS HE2 H 1 3.367 0.01 . 1 . . . . 29 . QE . 11011 1 255 . 1 1 29 29 LYS HE3 H 1 3.367 0.01 . 1 . . . . 29 . QE . 11011 1 256 . 1 1 30 30 ARG N N 15 114.533 0.2 . 1 . . . . 30 . N . 11011 1 257 . 1 1 30 30 ARG H H 1 6.936 0.01 . 1 . . . . 30 . H . 11011 1 258 . 1 1 30 30 ARG CA C 13 53.142 0.2 . 1 . . . . 30 . CA . 11011 1 259 . 1 1 30 30 ARG HA H 1 4.218 0.01 . 1 . . . . 30 . HA . 11011 1 260 . 1 1 30 30 ARG CB C 13 28.241 0.2 . 1 . . . . 30 . CB . 11011 1 261 . 1 1 30 30 ARG HB2 H 1 1.946 0.01 . 1 . . . . 30 . HB2 . 11011 1 262 . 1 1 30 30 ARG HB3 H 1 1.793 0.01 . 1 . . . . 30 . HB3 . 11011 1 263 . 1 1 30 30 ARG CG C 13 24.797 0.2 . 1 . . . . 30 . CG . 11011 1 264 . 1 1 30 30 ARG HG2 H 1 1.693 0.01 . 1 . . . . 30 . HG2 . 11011 1 265 . 1 1 30 30 ARG HG3 H 1 1.556 0.01 . 1 . . . . 30 . HG3 . 11011 1 266 . 1 1 30 30 ARG CD C 13 40.767 0.2 . 1 . . . . 30 . CD . 11011 1 267 . 1 1 30 30 ARG HD2 H 1 3.038 0.01 . 1 . . . . 30 . QD . 11011 1 268 . 1 1 30 30 ARG HD3 H 1 3.038 0.01 . 1 . . . . 30 . QD . 11011 1 269 . 1 1 31 31 MET N N 15 123.270 0.2 . 1 . . . . 31 . N . 11011 1 270 . 1 1 31 31 MET H H 1 7.712 0.01 . 1 . . . . 31 . H . 11011 1 271 . 1 1 31 31 MET CA C 13 51.728 0.2 . 1 . . . . 31 . CA . 11011 1 272 . 1 1 31 31 MET HA H 1 4.382 0.01 . 1 . . . . 31 . HA . 11011 1 273 . 1 1 31 31 MET CB C 13 30.747 0.2 . 1 . . . . 31 . CB . 11011 1 274 . 1 1 31 31 MET HB2 H 1 2.101 0.01 . 1 . . . . 31 . HB2 . 11011 1 275 . 1 1 31 31 MET HB3 H 1 2.056 0.01 . 1 . . . . 31 . HB3 . 11011 1 276 . 1 1 31 31 MET CG C 13 29.181 0.2 . 1 . . . . 31 . CG . 11011 1 277 . 1 1 31 31 MET HG2 H 1 2.645 0.01 . 1 . . . . 31 . HG2 . 11011 1 278 . 1 1 31 31 MET HG3 H 1 2.424 0.01 . 1 . . . . 31 . HG3 . 11011 1 279 . 1 1 32 32 PRO CD C 13 48.283 0.2 . 1 . . . . 32 . CD . 11011 1 280 . 1 1 32 32 PRO CA C 13 61.122 0.2 . 1 . . . . 32 . CA . 11011 1 281 . 1 1 32 32 PRO HA H 1 4.225 0.01 . 1 . . . . 32 . HA . 11011 1 282 . 1 1 32 32 PRO CB C 13 28.868 0.2 . 1 . . . . 32 . CB . 11011 1 283 . 1 1 32 32 PRO HB2 H 1 2.245 0.01 . 1 . . . . 32 . QB . 11011 1 284 . 1 1 32 32 PRO HB3 H 1 2.245 0.01 . 1 . . . . 32 . QB . 11011 1 285 . 1 1 32 32 PRO CG C 13 25.110 0.2 . 1 . . . . 32 . CG . 11011 1 286 . 1 1 32 32 PRO HG2 H 1 2.081 0.01 . 1 . . . . 32 . HG2 . 11011 1 287 . 1 1 32 32 PRO HG3 H 1 1.926 0.01 . 1 . . . . 32 . HG3 . 11011 1 288 . 1 1 32 32 PRO HD2 H 1 3.983 0.01 . 1 . . . . 32 . HD2 . 11011 1 289 . 1 1 32 32 PRO HD3 H 1 3.569 0.01 . 1 . . . . 32 . HD3 . 11011 1 290 . 1 1 33 33 GLY N N 15 110.920 0.2 . 1 . . . . 33 . N . 11011 1 291 . 1 1 33 33 GLY H H 1 8.517 0.01 . 1 . . . . 33 . H . 11011 1 292 . 1 1 33 33 GLY CA C 13 43.182 0.2 . 1 . . . . 33 . CA . 11011 1 293 . 1 1 33 33 GLY HA3 H 1 4.193 0.01 . 1 . . . . 33 . HA3 . 11011 1 294 . 1 1 33 33 GLY HA2 H 1 3.686 0.01 . 1 . . . . 33 . HA2 . 11011 1 295 . 1 1 34 34 VAL N N 15 120.850 0.2 . 1 . . . . 34 . N . 11011 1 296 . 1 1 34 34 VAL H H 1 7.521 0.01 . 1 . . . . 34 . H . 11011 1 297 . 1 1 34 34 VAL CA C 13 60.786 0.2 . 1 . . . . 34 . CA . 11011 1 298 . 1 1 34 34 VAL HA H 1 4.114 0.01 . 1 . . . . 34 . HA . 11011 1 299 . 1 1 34 34 VAL CB C 13 28.745 0.2 . 1 . . . . 34 . CB . 11011 1 300 . 1 1 34 34 VAL HB H 1 2.295 0.01 . 1 . . . . 34 . HB . 11011 1 301 . 1 1 34 34 VAL HG11 H 1 0.735 0.01 . 1 . . . . 34 . HG1 . 11011 1 302 . 1 1 34 34 VAL HG12 H 1 0.735 0.01 . 1 . . . . 34 . HG1 . 11011 1 303 . 1 1 34 34 VAL HG13 H 1 0.735 0.01 . 1 . . . . 34 . HG1 . 11011 1 304 . 1 1 34 34 VAL HG21 H 1 0.602 0.01 . 1 . . . . 34 . HG2 . 11011 1 305 . 1 1 34 34 VAL HG22 H 1 0.602 0.01 . 1 . . . . 34 . HG2 . 11011 1 306 . 1 1 34 34 VAL HG23 H 1 0.602 0.01 . 1 . . . . 34 . HG2 . 11011 1 307 . 1 1 34 34 VAL CG1 C 13 20.412 0.2 . 1 . . . . 34 . CG1 . 11011 1 308 . 1 1 34 34 VAL CG2 C 13 19.160 0.2 . 1 . . . . 34 . CG2 . 11011 1 309 . 1 1 35 35 THR N N 15 125.368 0.2 . 1 . . . . 35 . N . 11011 1 310 . 1 1 35 35 THR H H 1 9.136 0.01 . 1 . . . . 35 . H . 11011 1 311 . 1 1 35 35 THR HA H 1 4.079 0.01 . 1 . . . . 35 . HA . 11011 1 312 . 1 1 35 35 THR CB C 13 65.846 0.2 . 1 . . . . 35 . CB . 11011 1 313 . 1 1 35 35 THR HB H 1 3.772 0.01 . 1 . . . . 35 . HB . 11011 1 314 . 1 1 35 35 THR HG21 H 1 1.024 0.01 . 1 . . . . 35 . HG2 . 11011 1 315 . 1 1 35 35 THR HG22 H 1 1.024 0.01 . 1 . . . . 35 . HG2 . 11011 1 316 . 1 1 35 35 THR HG23 H 1 1.024 0.01 . 1 . . . . 35 . HG2 . 11011 1 317 . 1 1 35 35 THR CG2 C 13 19.160 0.2 . 1 . . . . 35 . CG2 . 11011 1 318 . 1 1 36 36 ASP N N 15 118.424 0.2 . 1 . . . . 36 . N . 11011 1 319 . 1 1 36 36 ASP H H 1 7.993 0.01 . 1 . . . . 36 . H . 11011 1 320 . 1 1 36 36 ASP HA H 1 4.692 0.01 . 1 . . . . 36 . HA . 11011 1 321 . 1 1 36 36 ASP HB2 H 1 2.392 0.01 . 1 . . . . 36 . HB2 . 11011 1 322 . 1 1 36 36 ASP HB3 H 1 2.126 0.01 . 1 . . . . 36 . HB3 . 11011 1 323 . 1 1 36 36 ASP CA C 13 53.803 0.2 . 1 . . . . 36 . CA . 11011 1 324 . 1 1 37 37 ALA N N 15 121.094 0.2 . 1 . . . . 37 . N . 11011 1 325 . 1 1 37 37 ALA H H 1 8.205 0.01 . 1 . . . . 37 . H . 11011 1 326 . 1 1 37 37 ALA CA C 13 48.909 0.2 . 1 . . . . 37 . CA . 11011 1 327 . 1 1 37 37 ALA HA H 1 5.335 0.01 . 1 . . . . 37 . HA . 11011 1 328 . 1 1 37 37 ALA CB C 13 20.412 0.2 . 1 . . . . 37 . CB . 11011 1 329 . 1 1 38 38 ASN N N 15 117.837 0.2 . 1 . . . . 38 . N . 11011 1 330 . 1 1 38 38 ASN H H 1 8.627 0.01 . 1 . . . . 38 . H . 11011 1 331 . 1 1 38 38 ASN CA C 13 49.849 0.2 . 1 . . . . 38 . CA . 11011 1 332 . 1 1 38 38 ASN HA H 1 4.991 0.01 . 1 . . . . 38 . HA . 11011 1 333 . 1 1 38 38 ASN CB C 13 40.454 0.2 . 1 . . . . 38 . CB . 11011 1 334 . 1 1 38 38 ASN HB2 H 1 2.466 0.01 . 1 . . . . 38 . QB . 11011 1 335 . 1 1 38 38 ASN HB3 H 1 2.466 0.01 . 1 . . . . 38 . QB . 11011 1 336 . 1 1 38 38 ASN ND2 N 15 114.550 0.2 . 1 . . . . 38 . ND2 . 11011 1 337 . 1 1 38 38 ASN HD21 H 1 7.658 0.01 . 1 . . . . 38 . HD21 . 11011 1 338 . 1 1 38 38 ASN HD22 H 1 6.671 0.01 . 1 . . . . 38 . HD22 . 11011 1 339 . 1 1 39 39 VAL N N 15 126.704 0.2 . 1 . . . . 39 . N . 11011 1 340 . 1 1 39 39 VAL H H 1 9.718 0.01 . 1 . . . . 39 . H . 11011 1 341 . 1 1 39 39 VAL CA C 13 58.617 0.2 . 1 . . . . 39 . CA . 11011 1 342 . 1 1 39 39 VAL HA H 1 4.405 0.01 . 1 . . . . 39 . HA . 11011 1 343 . 1 1 39 39 VAL CB C 13 30.120 0.2 . 1 . . . . 39 . CB . 11011 1 344 . 1 1 39 39 VAL HB H 1 1.813 0.01 . 1 . . . . 39 . HB . 11011 1 345 . 1 1 39 39 VAL HG11 H 1 0.832 0.01 . 1 . . . . 39 . HG1 . 11011 1 346 . 1 1 39 39 VAL HG12 H 1 0.832 0.01 . 1 . . . . 39 . HG1 . 11011 1 347 . 1 1 39 39 VAL HG13 H 1 0.832 0.01 . 1 . . . . 39 . HG1 . 11011 1 348 . 1 1 39 39 VAL HG21 H 1 0.580 0.01 . 1 . . . . 39 . HG2 . 11011 1 349 . 1 1 39 39 VAL HG22 H 1 0.580 0.01 . 1 . . . . 39 . HG2 . 11011 1 350 . 1 1 39 39 VAL HG23 H 1 0.580 0.01 . 1 . . . . 39 . HG2 . 11011 1 351 . 1 1 39 39 VAL CG1 C 13 19.473 0.2 . 1 . . . . 39 . CG1 . 11011 1 352 . 1 1 39 39 VAL CG2 C 13 18.847 0.2 . 1 . . . . 39 . CG2 . 11011 1 353 . 1 1 40 40 ASN N N 15 126.972 0.2 . 1 . . . . 40 . N . 11011 1 354 . 1 1 40 40 ASN H H 1 8.551 0.01 . 1 . . . . 40 . H . 11011 1 355 . 1 1 40 40 ASN CA C 13 48.596 0.2 . 1 . . . . 40 . CA . 11011 1 356 . 1 1 40 40 ASN HA H 1 4.729 0.01 . 1 . . . . 40 . HA . 11011 1 357 . 1 1 40 40 ASN CB C 13 36.968 0.2 . 1 . . . . 40 . CB . 11011 1 358 . 1 1 40 40 ASN HB2 H 1 3.017 0.01 . 1 . . . . 40 . HB2 . 11011 1 359 . 1 1 40 40 ASN HB3 H 1 2.396 0.01 . 1 . . . . 40 . HB3 . 11011 1 360 . 1 1 40 40 ASN ND2 N 15 111.519 0.2 . 1 . . . . 40 . ND2 . 11011 1 361 . 1 1 40 40 ASN HD21 H 1 7.327 0.01 . 1 . . . . 40 . HD21 . 11011 1 362 . 1 1 40 40 ASN HD22 H 1 6.521 0.01 . 1 . . . . 40 . HD22 . 11011 1 363 . 1 1 41 41 LEU N N 15 126.422 0.2 . 1 . . . . 41 . N . 11011 1 364 . 1 1 41 41 LEU H H 1 8.787 0.01 . 1 . . . . 41 . H . 11011 1 365 . 1 1 41 41 LEU CA C 13 54.359 0.2 . 1 . . . . 41 . CA . 11011 1 366 . 1 1 41 41 LEU HA H 1 3.705 0.01 . 1 . . . . 41 . HA . 11011 1 367 . 1 1 41 41 LEU CB C 13 39.828 0.2 . 1 . . . . 41 . CB . 11011 1 368 . 1 1 41 41 LEU HB2 H 1 1.642 0.01 . 1 . . . . 41 . HB2 . 11011 1 369 . 1 1 41 41 LEU HB3 H 1 1.252 0.01 . 1 . . . . 41 . HB3 . 11011 1 370 . 1 1 41 41 LEU CG C 13 24.170 0.2 . 1 . . . . 41 . CG . 11011 1 371 . 1 1 41 41 LEU HG H 1 1.391 0.01 . 1 . . . . 41 . HG . 11011 1 372 . 1 1 41 41 LEU HD11 H 1 0.649 0.01 . 1 . . . . 41 . HD1 . 11011 1 373 . 1 1 41 41 LEU HD12 H 1 0.649 0.01 . 1 . . . . 41 . HD1 . 11011 1 374 . 1 1 41 41 LEU HD13 H 1 0.649 0.01 . 1 . . . . 41 . HD1 . 11011 1 375 . 1 1 41 41 LEU HD21 H 1 0.617 0.01 . 1 . . . . 41 . HD2 . 11011 1 376 . 1 1 41 41 LEU HD22 H 1 0.617 0.01 . 1 . . . . 41 . HD2 . 11011 1 377 . 1 1 41 41 LEU HD23 H 1 0.617 0.01 . 1 . . . . 41 . HD2 . 11011 1 378 . 1 1 41 41 LEU CD1 C 13 21.665 0.2 . 1 . . . . 41 . CD1 . 11011 1 379 . 1 1 41 41 LEU CD2 C 13 21.978 0.2 . 1 . . . . 41 . CD2 . 11011 1 380 . 1 1 42 42 ALA N N 15 114.747 0.2 . 1 . . . . 42 . N . 11011 1 381 . 1 1 42 42 ALA H H 1 8.331 0.01 . 1 . . . . 42 . H . 11011 1 382 . 1 1 42 42 ALA CA C 13 52.752 0.2 . 1 . . . . 42 . CA . 11011 1 383 . 1 1 42 42 ALA HA H 1 3.704 0.01 . 1 . . . . 42 . HA . 11011 1 384 . 1 1 42 42 ALA CB C 13 14.189 0.2 . 1 . . . . 42 . CB . 11011 1 385 . 1 1 43 43 THR N N 15 104.239 0.2 . 1 . . . . 43 . N . 11011 1 386 . 1 1 43 43 THR H H 1 7.305 0.01 . 1 . . . . 43 . H . 11011 1 387 . 1 1 43 43 THR CA C 13 58.043 0.2 . 1 . . . . 43 . CA . 11011 1 388 . 1 1 43 43 THR HA H 1 4.349 0.01 . 1 . . . . 43 . HA . 11011 1 389 . 1 1 43 43 THR CB C 13 66.477 0.2 . 1 . . . . 43 . CB . 11011 1 390 . 1 1 43 43 THR HB H 1 4.428 0.01 . 1 . . . . 43 . HB . 11011 1 391 . 1 1 43 43 THR HG21 H 1 0.965 0.01 . 1 . . . . 43 . HG2 . 11011 1 392 . 1 1 43 43 THR HG22 H 1 0.965 0.01 . 1 . . . . 43 . HG2 . 11011 1 393 . 1 1 43 43 THR HG23 H 1 0.965 0.01 . 1 . . . . 43 . HG2 . 11011 1 394 . 1 1 43 43 THR CG2 C 13 18.534 0.2 . 1 . . . . 43 . CG2 . 11011 1 395 . 1 1 44 44 GLU N N 15 122.815 0.2 . 1 . . . . 44 . N . 11011 1 396 . 1 1 44 44 GLU H H 1 8.163 0.01 . 1 . . . . 44 . H . 11011 1 397 . 1 1 44 44 GLU CA C 13 54.810 0.2 . 1 . . . . 44 . CA . 11011 1 398 . 1 1 44 44 GLU HA H 1 3.452 0.01 . 1 . . . . 44 . HA . 11011 1 399 . 1 1 44 44 GLU CB C 13 24.208 0.2 . 1 . . . . 44 . CB . 11011 1 400 . 1 1 44 44 GLU HB2 H 1 2.468 0.01 . 1 . . . . 44 . HB2 . 11011 1 401 . 1 1 44 44 GLU HB3 H 1 2.203 0.01 . 1 . . . . 44 . HB3 . 11011 1 402 . 1 1 44 44 GLU CG C 13 35.131 0.2 . 1 . . . . 44 . CG . 11011 1 403 . 1 1 44 44 GLU HG2 H 1 2.057 0.01 . 1 . . . . 44 . HG2 . 11011 1 404 . 1 1 45 45 THR N N 15 110.136 0.2 . 1 . . . . 45 . N . 11011 1 405 . 1 1 45 45 THR H H 1 7.539 0.01 . 1 . . . . 45 . H . 11011 1 406 . 1 1 45 45 THR CA C 13 59.169 0.2 . 1 . . . . 45 . CA . 11011 1 407 . 1 1 45 45 THR HA H 1 5.081 0.01 . 1 . . . . 45 . HA . 11011 1 408 . 1 1 45 45 THR CB C 13 68.348 0.2 . 1 . . . . 45 . CB . 11011 1 409 . 1 1 45 45 THR HB H 1 3.693 0.01 . 1 . . . . 45 . HB . 11011 1 410 . 1 1 45 45 THR HG21 H 1 0.951 0.01 . 1 . . . . 45 . HG2 . 11011 1 411 . 1 1 45 45 THR HG22 H 1 0.951 0.01 . 1 . . . . 45 . HG2 . 11011 1 412 . 1 1 45 45 THR HG23 H 1 0.951 0.01 . 1 . . . . 45 . HG2 . 11011 1 413 . 1 1 45 45 THR CG2 C 13 18.534 0.2 . 1 . . . . 45 . CG2 . 11011 1 414 . 1 1 46 46 SER N N 15 125.571 0.2 . 1 . . . . 46 . N . 11011 1 415 . 1 1 46 46 SER H H 1 8.193 0.01 . 1 . . . . 46 . H . 11011 1 416 . 1 1 46 46 SER CA C 13 49.932 0.2 . 1 . . . . 46 . CA . 11011 1 417 . 1 1 46 46 SER HA H 1 4.696 0.01 . 1 . . . . 46 . HA . 11011 1 418 . 1 1 47 47 ASN N N 15 125.895 0.2 . 1 . . . . 47 . N . 11011 1 419 . 1 1 47 47 ASN H H 1 8.523 0.01 . 1 . . . . 47 . H . 11011 1 420 . 1 1 47 47 ASN CA C 13 50.323 0.2 . 1 . . . . 47 . CA . 11011 1 421 . 1 1 47 47 ASN HA H 1 5.575 0.01 . 1 . . . . 47 . HA . 11011 1 422 . 1 1 47 47 ASN CB C 13 38.575 0.2 . 1 . . . . 47 . CB . 11011 1 423 . 1 1 47 47 ASN HB2 H 1 2.492 0.01 . 1 . . . . 47 . HB2 . 11011 1 424 . 1 1 47 47 ASN HB3 H 1 2.446 0.01 . 1 . . . . 47 . HB3 . 11011 1 425 . 1 1 47 47 ASN ND2 N 15 112.699 0.2 . 1 . . . . 47 . ND2 . 11011 1 426 . 1 1 47 47 ASN HD21 H 1 7.536 0.01 . 1 . . . . 47 . HD21 . 11011 1 427 . 1 1 47 47 ASN HD22 H 1 6.706 0.01 . 1 . . . . 47 . HD22 . 11011 1 428 . 1 1 48 48 VAL N N 15 124.915 0.2 . 1 . . . . 48 . N . 11011 1 429 . 1 1 48 48 VAL H H 1 9.047 0.01 . 1 . . . . 48 . H . 11011 1 430 . 1 1 48 48 VAL HA H 1 4.564 0.01 . 1 . . . . 48 . HA . 11011 1 431 . 1 1 48 48 VAL CB C 13 32.625 0.2 . 1 . . . . 48 . CB . 11011 1 432 . 1 1 48 48 VAL HB H 1 1.858 0.01 . 1 . . . . 48 . HB . 11011 1 433 . 1 1 48 48 VAL HG11 H 1 0.962 0.01 . 1 . . . . 48 . HG1 . 11011 1 434 . 1 1 48 48 VAL HG12 H 1 0.962 0.01 . 1 . . . . 48 . HG1 . 11011 1 435 . 1 1 48 48 VAL HG13 H 1 0.962 0.01 . 1 . . . . 48 . HG1 . 11011 1 436 . 1 1 48 48 VAL HG21 H 1 0.805 0.01 . 1 . . . . 48 . HG2 . 11011 1 437 . 1 1 48 48 VAL HG22 H 1 0.805 0.01 . 1 . . . . 48 . HG2 . 11011 1 438 . 1 1 48 48 VAL HG23 H 1 0.805 0.01 . 1 . . . . 48 . HG2 . 11011 1 439 . 1 1 48 48 VAL CG1 C 13 20.412 0.2 . 1 . . . . 48 . CG1 . 11011 1 440 . 1 1 48 48 VAL CG2 C 13 20.412 0.2 . 1 . . . . 48 . CG2 . 11011 1 441 . 1 1 48 48 VAL CA C 13 58.896 0.2 . 1 . . . . 48 . CA . 11011 1 442 . 1 1 49 49 ILE N N 15 127.896 0.2 . 1 . . . . 49 . N . 11011 1 443 . 1 1 49 49 ILE H H 1 8.481 0.01 . 1 . . . . 49 . H . 11011 1 444 . 1 1 49 49 ILE CA C 13 57.364 0.2 . 1 . . . . 49 . CA . 11011 1 445 . 1 1 49 49 ILE HA H 1 5.027 0.01 . 1 . . . . 49 . HA . 11011 1 446 . 1 1 49 49 ILE CB C 13 36.383 0.2 . 1 . . . . 49 . CB . 11011 1 447 . 1 1 49 49 ILE HB H 1 1.487 0.01 . 1 . . . . 49 . HB . 11011 1 448 . 1 1 49 49 ILE HG21 H 1 0.726 0.01 . 1 . . . . 49 . HG2 . 11011 1 449 . 1 1 49 49 ILE HG22 H 1 0.726 0.01 . 1 . . . . 49 . HG2 . 11011 1 450 . 1 1 49 49 ILE HG23 H 1 0.726 0.01 . 1 . . . . 49 . HG2 . 11011 1 451 . 1 1 49 49 ILE CG2 C 13 15.402 0.2 . 1 . . . . 49 . CG2 . 11011 1 452 . 1 1 49 49 ILE CG1 C 13 24.797 0.2 . 1 . . . . 49 . CG1 . 11011 1 453 . 1 1 49 49 ILE HG12 H 1 1.438 0.01 . 1 . . . . 49 . HG12 . 11011 1 454 . 1 1 49 49 ILE HG13 H 1 0.897 0.01 . 1 . . . . 49 . HG13 . 11011 1 455 . 1 1 49 49 ILE HD11 H 1 0.619 0.01 . 1 . . . . 49 . HD1 . 11011 1 456 . 1 1 49 49 ILE HD12 H 1 0.619 0.01 . 1 . . . . 49 . HD1 . 11011 1 457 . 1 1 49 49 ILE HD13 H 1 0.619 0.01 . 1 . . . . 49 . HD1 . 11011 1 458 . 1 1 49 49 ILE CD1 C 13 10.705 0.2 . 1 . . . . 49 . CD1 . 11011 1 459 . 1 1 50 50 TYR N N 15 124.634 0.2 . 1 . . . . 50 . N . 11011 1 460 . 1 1 50 50 TYR H H 1 9.328 0.01 . 1 . . . . 50 . H . 11011 1 461 . 1 1 50 50 TYR CA C 13 52.329 0.2 . 1 . . . . 50 . CA . 11011 1 462 . 1 1 50 50 TYR HA H 1 5.445 0.01 . 1 . . . . 50 . HA . 11011 1 463 . 1 1 50 50 TYR CB C 13 39.214 0.2 . 1 . . . . 50 . CB . 11011 1 464 . 1 1 50 50 TYR HB2 H 1 2.769 0.01 . 1 . . . . 50 . HB2 . 11011 1 465 . 1 1 50 50 TYR HB3 H 1 2.389 0.01 . 1 . . . . 50 . HB3 . 11011 1 466 . 1 1 51 51 ASP N N 15 119.380 0.2 . 1 . . . . 51 . N . 11011 1 467 . 1 1 51 51 ASP H H 1 8.752 0.01 . 1 . . . . 51 . H . 11011 1 468 . 1 1 51 51 ASP CA C 13 47.030 0.2 . 1 . . . . 51 . CA . 11011 1 469 . 1 1 51 51 ASP HA H 1 4.945 0.01 . 1 . . . . 51 . HA . 11011 1 470 . 1 1 51 51 ASP CB C 13 39.515 0.2 . 1 . . . . 51 . CB . 11011 1 471 . 1 1 51 51 ASP HB2 H 1 2.896 0.01 . 1 . . . . 51 . HB2 . 11011 1 472 . 1 1 51 51 ASP HB3 H 1 2.561 0.01 . 1 . . . . 51 . HB3 . 11011 1 473 . 1 1 52 52 PRO CD C 13 48.596 0.2 . 1 . . . . 52 . CD . 11011 1 474 . 1 1 52 52 PRO CA C 13 60.496 0.2 . 1 . . . . 52 . CA . 11011 1 475 . 1 1 52 52 PRO HA H 1 5.094 0.01 . 1 . . . . 52 . HA . 11011 1 476 . 1 1 52 52 PRO CB C 13 29.807 0.2 . 1 . . . . 52 . CB . 11011 1 477 . 1 1 52 52 PRO HB2 H 1 2.168 0.01 . 1 . . . . 52 . QB . 11011 1 478 . 1 1 52 52 PRO HB3 H 1 2.168 0.01 . 1 . . . . 52 . QB . 11011 1 479 . 1 1 52 52 PRO CG C 13 24.170 0.2 . 1 . . . . 52 . CG . 11011 1 480 . 1 1 52 52 PRO HG2 H 1 1.903 0.01 . 1 . . . . 52 . HG2 . 11011 1 481 . 1 1 52 52 PRO HG3 H 1 1.688 0.01 . 1 . . . . 52 . HG3 . 11011 1 482 . 1 1 52 52 PRO HD2 H 1 3.992 0.01 . 1 . . . . 52 . HD2 . 11011 1 483 . 1 1 52 52 PRO HD3 H 1 3.613 0.01 . 1 . . . . 52 . HD3 . 11011 1 484 . 1 1 53 53 ALA N N 15 121.063 0.2 . 1 . . . . 53 . N . 11011 1 485 . 1 1 53 53 ALA H H 1 8.532 0.01 . 1 . . . . 53 . H . 11011 1 486 . 1 1 53 53 ALA CA C 13 50.475 0.2 . 1 . . . . 53 . CA . 11011 1 487 . 1 1 53 53 ALA HA H 1 4.253 0.01 . 1 . . . . 53 . HA . 11011 1 488 . 1 1 53 53 ALA CB C 13 16.028 0.2 . 1 . . . . 53 . CB . 11011 1 489 . 1 1 54 54 GLU N N 15 115.967 0.2 . 1 . . . . 54 . N . 11011 1 490 . 1 1 54 54 GLU H H 1 7.772 0.01 . 1 . . . . 54 . H . 11011 1 491 . 1 1 54 54 GLU CA C 13 53.293 0.2 . 1 . . . . 54 . CA . 11011 1 492 . 1 1 54 54 GLU HA H 1 4.282 0.01 . 1 . . . . 54 . HA . 11011 1 493 . 1 1 54 54 GLU CB C 13 27.894 0.2 . 1 . . . . 54 . CB . 11011 1 494 . 1 1 54 54 GLU HB2 H 1 1.929 0.01 . 1 . . . . 54 . HB2 . 11011 1 495 . 1 1 54 54 GLU HB3 H 1 1.734 0.01 . 1 . . . . 54 . HB3 . 11011 1 496 . 1 1 54 54 GLU CG C 13 32.939 0.2 . 1 . . . . 54 . CG . 11011 1 497 . 1 1 54 54 GLU HG2 H 1 2.076 0.01 . 1 . . . . 54 . HG2 . 11011 1 498 . 1 1 54 54 GLU HG3 H 1 1.944 0.01 . 1 . . . . 54 . HG3 . 11011 1 499 . 1 1 55 55 THR N N 15 114.494 0.2 . 1 . . . . 55 . N . 11011 1 500 . 1 1 55 55 THR H H 1 8.015 0.01 . 1 . . . . 55 . H . 11011 1 501 . 1 1 55 55 THR HA H 1 4.436 0.01 . 1 . . . . 55 . HA . 11011 1 502 . 1 1 55 55 THR CB C 13 65.506 0.2 . 1 . . . . 55 . CB . 11011 1 503 . 1 1 55 55 THR HB H 1 4.176 0.01 . 1 . . . . 55 . HB . 11011 1 504 . 1 1 55 55 THR HG21 H 1 0.862 0.01 . 1 . . . . 55 . HG2 . 11011 1 505 . 1 1 55 55 THR HG22 H 1 0.862 0.01 . 1 . . . . 55 . HG2 . 11011 1 506 . 1 1 55 55 THR HG23 H 1 0.862 0.01 . 1 . . . . 55 . HG2 . 11011 1 507 . 1 1 55 55 THR CG2 C 13 16.341 0.2 . 1 . . . . 55 . CG2 . 11011 1 508 . 1 1 55 55 THR CA C 13 57.364 0.2 . 1 . . . . 55 . CA . 11011 1 509 . 1 1 56 56 GLY N N 15 105.179 0.2 . 1 . . . . 56 . N . 11011 1 510 . 1 1 56 56 GLY H H 1 7.869 0.01 . 1 . . . . 56 . H . 11011 1 511 . 1 1 56 56 GLY CA C 13 42.333 0.2 . 1 . . . . 56 . CA . 11011 1 512 . 1 1 56 56 GLY HA3 H 1 4.132 0.01 . 1 . . . . 56 . HA3 . 11011 1 513 . 1 1 56 56 GLY HA2 H 1 3.891 0.01 . 1 . . . . 56 . HA2 . 11011 1 514 . 1 1 57 57 THR N N 15 110.486 0.2 . 1 . . . . 57 . N . 11011 1 515 . 1 1 57 57 THR H H 1 8.317 0.01 . 1 . . . . 57 . H . 11011 1 516 . 1 1 57 57 THR CA C 13 63.517 0.2 . 1 . . . . 57 . CA . 11011 1 517 . 1 1 57 57 THR HA H 1 3.309 0.01 . 1 . . . . 57 . HA . 11011 1 518 . 1 1 57 57 THR HB H 1 3.909 0.01 . 1 . . . . 57 . HB . 11011 1 519 . 1 1 57 57 THR HG21 H 1 1.088 0.01 . 1 . . . . 57 . HG2 . 11011 1 520 . 1 1 57 57 THR HG22 H 1 1.088 0.01 . 1 . . . . 57 . HG2 . 11011 1 521 . 1 1 57 57 THR HG23 H 1 1.088 0.01 . 1 . . . . 57 . HG2 . 11011 1 522 . 1 1 57 57 THR CG2 C 13 20.099 0.2 . 1 . . . . 57 . CG2 . 11011 1 523 . 1 1 58 58 ALA N N 15 124.820 0.2 . 1 . . . . 58 . N . 11011 1 524 . 1 1 58 58 ALA H H 1 8.398 0.01 . 1 . . . . 58 . H . 11011 1 525 . 1 1 58 58 ALA CA C 13 52.692 0.2 . 1 . . . . 58 . CA . 11011 1 526 . 1 1 58 58 ALA HA H 1 3.987 0.01 . 1 . . . . 58 . HA . 11011 1 527 . 1 1 58 58 ALA CB C 13 14.634 0.2 . 1 . . . . 58 . CB . 11011 1 528 . 1 1 59 59 ALA N N 15 121.156 0.2 . 1 . . . . 59 . N . 11011 1 529 . 1 1 59 59 ALA H H 1 7.661 0.01 . 1 . . . . 59 . H . 11011 1 530 . 1 1 59 59 ALA CA C 13 51.939 0.2 . 1 . . . . 59 . CA . 11011 1 531 . 1 1 59 59 ALA HA H 1 3.989 0.01 . 1 . . . . 59 . HA . 11011 1 532 . 1 1 60 60 ILE N N 15 120.920 0.2 . 1 . . . . 60 . N . 11011 1 533 . 1 1 60 60 ILE H H 1 7.457 0.01 . 1 . . . . 60 . H . 11011 1 534 . 1 1 60 60 ILE CA C 13 62.793 0.2 . 1 . . . . 60 . CA . 11011 1 535 . 1 1 60 60 ILE HA H 1 3.220 0.01 . 1 . . . . 60 . HA . 11011 1 536 . 1 1 60 60 ILE CB C 13 40.83 0.2 . 1 . . . . 60 . CB . 11011 1 537 . 1 1 60 60 ILE HB H 1 1.300 0.01 . 1 . . . . 60 . HB . 11011 1 538 . 1 1 60 60 ILE HG21 H 1 0.608 0.01 . 1 . . . . 60 . HG2 . 11011 1 539 . 1 1 60 60 ILE HG22 H 1 0.608 0.01 . 1 . . . . 60 . HG2 . 11011 1 540 . 1 1 60 60 ILE HG23 H 1 0.608 0.01 . 1 . . . . 60 . HG2 . 11011 1 541 . 1 1 60 60 ILE CG2 C 13 15.089 0.2 . 1 . . . . 60 . CG2 . 11011 1 542 . 1 1 60 60 ILE CG1 C 13 26.676 0.2 . 1 . . . . 60 . CG1 . 11011 1 543 . 1 1 60 60 ILE HG12 H 1 1.447 0.01 . 1 . . . . 60 . HG12 . 11011 1 544 . 1 1 60 60 ILE HG13 H 1 0.511 0.01 . 1 . . . . 60 . HG13 . 11011 1 545 . 1 1 60 60 ILE HD11 H 1 -0.063 0.01 . 1 . . . . 60 . HD1 . 11011 1 546 . 1 1 60 60 ILE HD12 H 1 -0.063 0.01 . 1 . . . . 60 . HD1 . 11011 1 547 . 1 1 60 60 ILE HD13 H 1 -0.063 0.01 . 1 . . . . 60 . HD1 . 11011 1 548 . 1 1 60 60 ILE CD1 C 13 11.018 0.2 . 1 . . . . 60 . CD1 . 11011 1 549 . 1 1 61 61 GLN N N 15 118.593 0.2 . 1 . . . . 61 . N . 11011 1 550 . 1 1 61 61 GLN H H 1 8.133 0.01 . 1 . . . . 61 . H . 11011 1 551 . 1 1 61 61 GLN CA C 13 57.051 0.2 . 1 . . . . 61 . CA . 11011 1 552 . 1 1 61 61 GLN HA H 1 5.167 0.01 . 1 . . . . 61 . HA . 11011 1 553 . 1 1 61 61 GLN CB C 13 24.681 0.2 . 1 . . . . 61 . CB . 11011 1 554 . 1 1 61 61 GLN HB2 H 1 1.958 0.01 . 1 . . . . 61 . QB . 11011 1 555 . 1 1 61 61 GLN HB3 H 1 1.958 0.01 . 1 . . . . 61 . QB . 11011 1 556 . 1 1 61 61 GLN CG C 13 31.060 0.2 . 1 . . . . 61 . CG . 11011 1 557 . 1 1 61 61 GLN HG2 H 1 2.213 0.01 . 1 . . . . 61 . HG2 . 11011 1 558 . 1 1 61 61 GLN HG3 H 1 2.067 0.01 . 1 . . . . 61 . HG3 . 11011 1 559 . 1 1 61 61 GLN NE2 N 15 109.916 0.2 . 1 . . . . 61 . NE2 . 11011 1 560 . 1 1 61 61 GLN HE21 H 1 7.260 0.01 . 1 . . . . 61 . HE21 . 11011 1 561 . 1 1 61 61 GLN HE22 H 1 6.569 0.01 . 1 . . . . 61 . HE22 . 11011 1 562 . 1 1 62 62 GLU N N 15 117.815 0.2 . 1 . . . . 62 . N . 11011 1 563 . 1 1 62 62 GLU H H 1 8.047 0.01 . 1 . . . . 62 . H . 11011 1 564 . 1 1 62 62 GLU CA C 13 56.425 0.2 . 1 . . . . 62 . CA . 11011 1 565 . 1 1 62 62 GLU HA H 1 3.947 0.01 . 1 . . . . 62 . HA . 11011 1 566 . 1 1 62 62 GLU CB C 13 26.676 0.2 . 1 . . . . 62 . CB . 11011 1 567 . 1 1 62 62 GLU HB2 H 1 1.960 0.01 . 1 . . . . 62 . QB . 11011 1 568 . 1 1 62 62 GLU HB3 H 1 1.960 0.01 . 1 . . . . 62 . QB . 11011 1 569 . 1 1 62 62 GLU CG C 13 33.565 0.2 . 1 . . . . 62 . CG . 11011 1 570 . 1 1 62 62 GLU HG2 H 1 2.225 0.01 . 1 . . . . 62 . QG . 11011 1 571 . 1 1 63 63 LYS N N 15 120.151 0.2 . 1 . . . . 63 . N . 11011 1 572 . 1 1 63 63 LYS H H 1 7.631 0.01 . 1 . . . . 63 . H . 11011 1 573 . 1 1 63 63 LYS CA C 13 55.172 0.2 . 1 . . . . 63 . CA . 11011 1 574 . 1 1 63 63 LYS HA H 1 3.945 0.01 . 1 . . . . 63 . HA . 11011 1 575 . 1 1 63 63 LYS CB C 13 27.302 0.2 . 1 . . . . 63 . CB . 11011 1 576 . 1 1 63 63 LYS HB2 H 1 1.979 0.01 . 1 . . . . 63 . HB2 . 11011 1 577 . 1 1 63 63 LYS CG C 13 22.605 0.2 . 1 . . . . 63 . CG . 11011 1 578 . 1 1 63 63 LYS HG2 H 1 1.561 0.01 . 1 . . . . 63 . HG2 . 11011 1 579 . 1 1 63 63 LYS HG3 H 1 1.424 0.01 . 1 . . . . 63 . HG3 . 11011 1 580 . 1 1 63 63 LYS CD C 13 26.362 0.2 . 1 . . . . 63 . CD . 11011 1 581 . 1 1 63 63 LYS HD2 H 1 1.596 0.01 . 1 . . . . 63 . QD . 11011 1 582 . 1 1 63 63 LYS HD3 H 1 1.596 0.01 . 1 . . . . 63 . QD . 11011 1 583 . 1 1 63 63 LYS HE2 H 1 2.820 0.01 . 1 . . . . 63 . HE2 . 11011 1 584 . 1 1 63 63 LYS HE3 H 1 2.638 0.01 . 1 . . . . 63 . HE3 . 11011 1 585 . 1 1 64 64 ILE N N 15 118.296 0.2 . 1 . . . . 64 . N . 11011 1 586 . 1 1 64 64 ILE H H 1 7.448 0.01 . 1 . . . . 64 . H . 11011 1 587 . 1 1 64 64 ILE CA C 13 64.094 0.2 . 1 . . . . 64 . CA . 11011 1 588 . 1 1 64 64 ILE HA H 1 3.341 0.01 . 1 . . . . 64 . HA . 11011 1 589 . 1 1 64 64 ILE CB C 13 34.817 0.2 . 1 . . . . 64 . CB . 11011 1 590 . 1 1 64 64 ILE HB H 1 1.925 0.01 . 1 . . . . 64 . HB . 11011 1 591 . 1 1 64 64 ILE HG21 H 1 0.721 0.01 . 1 . . . . 64 . HG2 . 11011 1 592 . 1 1 64 64 ILE HG22 H 1 0.721 0.01 . 1 . . . . 64 . HG2 . 11011 1 593 . 1 1 64 64 ILE HG23 H 1 0.721 0.01 . 1 . . . . 64 . HG2 . 11011 1 594 . 1 1 64 64 ILE CG2 C 13 16.028 0.2 . 1 . . . . 64 . CG2 . 11011 1 595 . 1 1 64 64 ILE CG1 C 13 27.302 0.2 . 1 . . . . 64 . CG1 . 11011 1 596 . 1 1 64 64 ILE HG12 H 1 1.801 0.01 . 1 . . . . 64 . HG12 . 11011 1 597 . 1 1 64 64 ILE HG13 H 1 0.587 0.01 . 1 . . . . 64 . HG13 . 11011 1 598 . 1 1 64 64 ILE HD11 H 1 0.509 0.01 . 1 . . . . 64 . HD1 . 11011 1 599 . 1 1 64 64 ILE HD12 H 1 0.509 0.01 . 1 . . . . 64 . HD1 . 11011 1 600 . 1 1 64 64 ILE HD13 H 1 0.509 0.01 . 1 . . . . 64 . HD1 . 11011 1 601 . 1 1 64 64 ILE CD1 C 13 11.331 0.2 . 1 . . . . 64 . CD1 . 11011 1 602 . 1 1 65 65 GLU N N 15 118.113 0.2 . 1 . . . . 65 . N . 11011 1 603 . 1 1 65 65 GLU H H 1 7.848 0.01 . 1 . . . . 65 . H . 11011 1 604 . 1 1 65 65 GLU HA H 1 4.577 0.01 . 1 . . . . 65 . HA . 11011 1 605 . 1 1 65 65 GLU CB C 13 26.049 0.2 . 1 . . . . 65 . CB . 11011 1 606 . 1 1 65 65 GLU HB2 H 1 1.906 0.01 . 1 . . . . 65 . HB2 . 11011 1 607 . 1 1 65 65 GLU HB3 H 1 1.830 0.01 . 1 . . . . 65 . HB3 . 11011 1 608 . 1 1 65 65 GLU CG C 13 33.878 0.2 . 1 . . . . 65 . CG . 11011 1 609 . 1 1 65 65 GLU HG2 H 1 2.410 0.01 . 1 . . . . 65 . HG2 . 11011 1 610 . 1 1 65 65 GLU HG3 H 1 2.261 0.01 . 1 . . . . 65 . HG3 . 11011 1 611 . 1 1 65 65 GLU CA C 13 55.261 0.2 . 1 . . . . 65 . CA . 11011 1 612 . 1 1 66 66 LYS N N 15 123.491 0.2 . 1 . . . . 66 . N . 11011 1 613 . 1 1 66 66 LYS H H 1 8.757 0.01 . 1 . . . . 66 . H . 11011 1 614 . 1 1 66 66 LYS CA C 13 56.149 0.2 . 1 . . . . 66 . CA . 11011 1 615 . 1 1 66 66 LYS HA H 1 3.907 0.01 . 1 . . . . 66 . HA . 11011 1 616 . 1 1 66 66 LYS CB C 13 29.494 0.2 . 1 . . . . 66 . CB . 11011 1 617 . 1 1 66 66 LYS HB2 H 1 1.939 0.01 . 1 . . . . 66 . HB2 . 11011 1 618 . 1 1 66 66 LYS HB3 H 1 1.808 0.01 . 1 . . . . 66 . HB3 . 11011 1 619 . 1 1 66 66 LYS HG2 H 1 1.538 0.01 . 1 . . . . 66 . HG2 . 11011 1 620 . 1 1 66 66 LYS HG3 H 1 1.396 0.01 . 1 . . . . 66 . HG3 . 11011 1 621 . 1 1 66 66 LYS CD C 13 26.362 0.2 . 1 . . . . 66 . CD . 11011 1 622 . 1 1 66 66 LYS HD2 H 1 1.586 0.01 . 1 . . . . 66 . QD . 11011 1 623 . 1 1 66 66 LYS HD3 H 1 1.586 0.01 . 1 . . . . 66 . QD . 11011 1 624 . 1 1 66 66 LYS HE2 H 1 2.938 0.01 . 1 . . . . 66 . QE . 11011 1 625 . 1 1 66 66 LYS HE3 H 1 2.938 0.01 . 1 . . . . 66 . QE . 11011 1 626 . 1 1 67 67 LEU N N 15 118.316 0.2 . 1 . . . . 67 . N . 11011 1 627 . 1 1 67 67 LEU H H 1 7.795 0.01 . 1 . . . . 67 . H . 11011 1 628 . 1 1 67 67 LEU CA C 13 52.980 0.2 . 1 . . . . 67 . CA . 11011 1 629 . 1 1 67 67 LEU HA H 1 4.138 0.01 . 1 . . . . 67 . HA . 11011 1 630 . 1 1 67 67 LEU CB C 13 39.828 0.2 . 1 . . . . 67 . CB . 11011 1 631 . 1 1 67 67 LEU HB2 H 1 2.154 0.01 . 1 . . . . 67 . HB2 . 11011 1 632 . 1 1 67 67 LEU HB3 H 1 1.489 0.01 . 1 . . . . 67 . HB3 . 11011 1 633 . 1 1 67 67 LEU CG C 13 23.857 0.2 . 1 . . . . 67 . CG . 11011 1 634 . 1 1 67 67 LEU HD11 H 1 0.790 0.01 . 1 . . . . 67 . HD1 . 11011 1 635 . 1 1 67 67 LEU HD12 H 1 0.790 0.01 . 1 . . . . 67 . HD1 . 11011 1 636 . 1 1 67 67 LEU HD13 H 1 0.790 0.01 . 1 . . . . 67 . HD1 . 11011 1 637 . 1 1 67 67 LEU HD21 H 1 0.759 0.01 . 1 . . . . 67 . HD2 . 11011 1 638 . 1 1 67 67 LEU HD22 H 1 0.759 0.01 . 1 . . . . 67 . HD2 . 11011 1 639 . 1 1 67 67 LEU HD23 H 1 0.759 0.01 . 1 . . . . 67 . HD2 . 11011 1 640 . 1 1 67 67 LEU CD1 C 13 20.099 0.2 . 1 . . . . 67 . CD1 . 11011 1 641 . 1 1 67 67 LEU CD2 C 13 20.099 0.2 . 1 . . . . 67 . CD2 . 11011 1 642 . 1 1 68 68 GLY N N 15 104.396 0.2 . 1 . . . . 68 . N . 11011 1 643 . 1 1 68 68 GLY H H 1 7.635 0.01 . 1 . . . . 68 . H . 11011 1 644 . 1 1 68 68 GLY CA C 13 41.707 0.2 . 1 . . . . 68 . CA . 11011 1 645 . 1 1 68 68 GLY HA3 H 1 3.829 0.01 . 1 . . . . 68 . HA3 . 11011 1 646 . 1 1 68 68 GLY HA2 H 1 3.331 0.01 . 1 . . . . 68 . HA2 . 11011 1 647 . 1 1 69 69 TYR N N 15 120.129 0.2 . 1 . . . . 69 . N . 11011 1 648 . 1 1 69 69 TYR H H 1 7.241 0.01 . 1 . . . . 69 . H . 11011 1 649 . 1 1 69 69 TYR CA C 13 54.170 0.2 . 1 . . . . 69 . CA . 11011 1 650 . 1 1 69 69 TYR HA H 1 4.553 0.01 . 1 . . . . 69 . HA . 11011 1 651 . 1 1 69 69 TYR CB C 13 37.010 0.2 . 1 . . . . 69 . CB . 11011 1 652 . 1 1 69 69 TYR HB2 H 1 3.096 0.01 . 1 . . . . 69 . HB2 . 11011 1 653 . 1 1 69 69 TYR HB3 H 1 2.192 0.01 . 1 . . . . 69 . HB3 . 11011 1 654 . 1 1 70 70 HIS N N 15 114.511 0.2 . 1 . . . . 70 . N . 11011 1 655 . 1 1 70 70 HIS H H 1 7.723 0.01 . 1 . . . . 70 . H . 11011 1 656 . 1 1 70 70 HIS CA C 13 51.728 0.2 . 1 . . . . 70 . CA . 11011 1 657 . 1 1 70 70 HIS HA H 1 4.940 0.01 . 1 . . . . 70 . HA . 11011 1 658 . 1 1 70 70 HIS CB C 13 28.839 0.2 . 1 . . . . 70 . CB . 11011 1 659 . 1 1 70 70 HIS HB2 H 1 3.093 0.01 . 1 . . . . 70 . HB2 . 11011 1 660 . 1 1 70 70 HIS HB3 H 1 3.002 0.01 . 1 . . . . 70 . HB3 . 11011 1 661 . 1 1 70 70 HIS HD2 H 1 6.721 0.01 . 1 . . . . 70 . HD2 . 11011 1 662 . 1 1 71 71 VAL N N 15 125.118 0.2 . 1 . . . . 71 . N . 11011 1 663 . 1 1 71 71 VAL H H 1 8.902 0.01 . 1 . . . . 71 . H . 11011 1 664 . 1 1 71 71 VAL CA C 13 59.558 0.2 . 1 . . . . 71 . CA . 11011 1 665 . 1 1 71 71 VAL HA H 1 4.975 0.01 . 1 . . . . 71 . HA . 11011 1 666 . 1 1 71 71 VAL CB C 13 29.181 0.2 . 1 . . . . 71 . CB . 11011 1 667 . 1 1 71 71 VAL HB H 1 1.771 0.01 . 1 . . . . 71 . HB . 11011 1 668 . 1 1 71 71 VAL HG11 H 1 0.862 0.01 . 1 . . . . 71 . HG1 . 11011 1 669 . 1 1 71 71 VAL HG12 H 1 0.862 0.01 . 1 . . . . 71 . HG1 . 11011 1 670 . 1 1 71 71 VAL HG13 H 1 0.862 0.01 . 1 . . . . 71 . HG1 . 11011 1 671 . 1 1 71 71 VAL HG21 H 1 0.812 0.01 . 1 . . . . 71 . HG2 . 11011 1 672 . 1 1 71 71 VAL HG22 H 1 0.812 0.01 . 1 . . . . 71 . HG2 . 11011 1 673 . 1 1 71 71 VAL HG23 H 1 0.812 0.01 . 1 . . . . 71 . HG2 . 11011 1 674 . 1 1 71 71 VAL CG1 C 13 20.412 0.2 . 1 . . . . 71 . CG1 . 11011 1 675 . 1 1 71 71 VAL CG2 C 13 18.847 0.2 . 1 . . . . 71 . CG2 . 11011 1 676 . 1 1 72 72 VAL N N 15 129.265 0.2 . 1 . . . . 72 . N . 11011 1 677 . 1 1 72 72 VAL H H 1 8.462 0.01 . 1 . . . . 72 . H . 11011 1 678 . 1 1 72 72 VAL CA C 13 60.809 0.2 . 1 . . . . 72 . CA . 11011 1 679 . 1 1 72 72 VAL HA H 1 4.360 0.01 . 1 . . . . 72 . HA . 11011 1 680 . 1 1 72 72 VAL CB C 13 29.494 0.2 . 1 . . . . 72 . CB . 11011 1 681 . 1 1 72 72 VAL HB H 1 1.681 0.01 . 1 . . . . 72 . HB . 11011 1 682 . 1 1 72 72 VAL HG11 H 1 0.827 0.01 . 1 . . . . 72 . HG1 . 11011 1 683 . 1 1 72 72 VAL HG12 H 1 0.827 0.01 . 1 . . . . 72 . HG1 . 11011 1 684 . 1 1 72 72 VAL HG13 H 1 0.827 0.01 . 1 . . . . 72 . HG1 . 11011 1 685 . 1 1 72 72 VAL HG21 H 1 0.741 0.01 . 1 . . . . 72 . HG2 . 11011 1 686 . 1 1 72 72 VAL HG22 H 1 0.741 0.01 . 1 . . . . 72 . HG2 . 11011 1 687 . 1 1 72 72 VAL HG23 H 1 0.741 0.01 . 1 . . . . 72 . HG2 . 11011 1 688 . 1 1 72 72 VAL CG1 C 13 18.534 0.2 . 1 . . . . 72 . CG1 . 11011 1 689 . 1 1 72 72 VAL CG2 C 13 18.220 0.2 . 1 . . . . 72 . CG2 . 11011 1 690 . 1 1 73 73 THR N N 15 117.263 0.2 . 1 . . . . 73 . N . 11011 1 691 . 1 1 73 73 THR H H 1 7.816 0.01 . 1 . . . . 73 . H . 11011 1 692 . 1 1 73 73 THR CA C 13 56.738 0.2 . 1 . . . . 73 . CA . 11011 1 693 . 1 1 73 73 THR HA H 1 4.524 0.01 . 1 . . . . 73 . HA . 11011 1 694 . 1 1 73 73 THR CB C 13 68.638 0.2 . 1 . . . . 73 . CB . 11011 1 695 . 1 1 73 73 THR HB H 1 3.753 0.01 . 1 . . . . 73 . HB . 11011 1 696 . 1 1 73 73 THR HG21 H 1 0.768 0.01 . 1 . . . . 73 . HG2 . 11011 1 697 . 1 1 73 73 THR HG22 H 1 0.768 0.01 . 1 . . . . 73 . HG2 . 11011 1 698 . 1 1 73 73 THR HG23 H 1 0.768 0.01 . 1 . . . . 73 . HG2 . 11011 1 699 . 1 1 73 73 THR CG2 C 13 19.160 0.2 . 1 . . . . 73 . CG2 . 11011 1 700 . 1 1 74 74 GLU N N 15 120.931 0.2 . 1 . . . . 74 . N . 11011 1 701 . 1 1 74 74 GLU H H 1 8.589 0.01 . 1 . . . . 74 . H . 11011 1 702 . 1 1 74 74 GLU CA C 13 51.415 0.2 . 1 . . . . 74 . CA . 11011 1 703 . 1 1 74 74 GLU HA H 1 4.451 0.01 . 1 . . . . 74 . HA . 11011 1 704 . 1 1 74 74 GLU CB C 13 30.433 0.2 . 1 . . . . 74 . CB . 11011 1 705 . 1 1 74 74 GLU HB2 H 1 1.515 0.01 . 1 . . . . 74 . QB . 11011 1 706 . 1 1 74 74 GLU HB3 H 1 1.515 0.01 . 1 . . . . 74 . QB . 11011 1 707 . 1 1 74 74 GLU CG C 13 33.565 0.2 . 1 . . . . 74 . CG . 11011 1 708 . 1 1 74 74 GLU HG2 H 1 1.880 0.01 . 1 . . . . 74 . QG . 11011 1 709 . 1 1 74 74 GLU HG3 H 1 1.880 0.01 . 1 . . . . 74 . QG . 11011 1 710 . 1 1 75 75 LYS N N 15 118.360 0.2 . 1 . . . . 75 . N . 11011 1 711 . 1 1 75 75 LYS H H 1 8.281 0.01 . 1 . . . . 75 . H . 11011 1 712 . 1 1 75 75 LYS CA C 13 51.728 0.2 . 1 . . . . 75 . CA . 11011 1 713 . 1 1 75 75 LYS HA H 1 5.544 0.01 . 1 . . . . 75 . HA . 11011 1 714 . 1 1 75 75 LYS CB C 13 32.939 0.2 . 1 . . . . 75 . CB . 11011 1 715 . 1 1 75 75 LYS HB2 H 1 1.509 0.01 . 1 . . . . 75 . HB2 . 11011 1 716 . 1 1 75 75 LYS HB3 H 1 1.396 0.01 . 1 . . . . 75 . HB3 . 11011 1 717 . 1 1 75 75 LYS CG C 13 22.918 0.2 . 1 . . . . 75 . CG . 11011 1 718 . 1 1 75 75 LYS HG2 H 1 1.296 0.01 . 1 . . . . 75 . HG2 . 11011 1 719 . 1 1 75 75 LYS HG3 H 1 1.023 0.01 . 1 . . . . 75 . HG3 . 11011 1 720 . 1 1 75 75 LYS CD C 13 26.989 0.2 . 1 . . . . 75 . CD . 11011 1 721 . 1 1 75 75 LYS HD2 H 1 1.483 0.01 . 1 . . . . 75 . QD . 11011 1 722 . 1 1 75 75 LYS HD3 H 1 1.483 0.01 . 1 . . . . 75 . QD . 11011 1 723 . 1 1 75 75 LYS HE2 H 1 2.734 0.01 . 1 . . . . 75 . QE . 11011 1 724 . 1 1 75 75 LYS HE3 H 1 2.734 0.01 . 1 . . . . 75 . QE . 11011 1 725 . 1 1 76 76 ALA N N 15 126.240 0.2 . 1 . . . . 76 . N . 11011 1 726 . 1 1 76 76 ALA H H 1 8.918 0.01 . 1 . . . . 76 . H . 11011 1 727 . 1 1 76 76 ALA CA C 13 47.970 0.2 . 1 . . . . 76 . CA . 11011 1 728 . 1 1 76 76 ALA HA H 1 4.530 0.01 . 1 . . . . 76 . HA . 11011 1 729 . 1 1 76 76 ALA CB C 13 19.786 0.2 . 1 . . . . 76 . CB . 11011 1 730 . 1 1 77 77 GLU N N 15 122.942 0.2 . 1 . . . . 77 . N . 11011 1 731 . 1 1 77 77 GLU H H 1 8.348 0.01 . 1 . . . . 77 . H . 11011 1 732 . 1 1 77 77 GLU CA C 13 52.354 0.2 . 1 . . . . 77 . CA . 11011 1 733 . 1 1 77 77 GLU HA H 1 4.818 0.01 . 1 . . . . 77 . HA . 11011 1 734 . 1 1 77 77 GLU CB C 13 29.181 0.2 . 1 . . . . 77 . CB . 11011 1 735 . 1 1 77 77 GLU HB2 H 1 1.768 0.01 . 1 . . . . 77 . HB2 . 11011 1 736 . 1 1 77 77 GLU HB3 H 1 1.682 0.01 . 1 . . . . 77 . HB3 . 11011 1 737 . 1 1 77 77 GLU CG C 13 33.565 0.2 . 1 . . . . 77 . CG . 11011 1 738 . 1 1 77 77 GLU HG2 H 1 2.096 0.01 . 1 . . . . 77 . HG2 . 11011 1 739 . 1 1 77 77 GLU HG3 H 1 2.032 0.01 . 1 . . . . 77 . HG3 . 11011 1 740 . 1 1 78 78 PHE N N 15 119.682 0.2 . 1 . . . . 78 . N . 11011 1 741 . 1 1 78 78 PHE H H 1 8.937 0.01 . 1 . . . . 78 . H . 11011 1 742 . 1 1 78 78 PHE CA C 13 53.607 0.2 . 1 . . . . 78 . CA . 11011 1 743 . 1 1 78 78 PHE HA H 1 5.233 0.01 . 1 . . . . 78 . HA . 11011 1 744 . 1 1 78 78 PHE CB C 13 39.828 0.2 . 1 . . . . 78 . CB . 11011 1 745 . 1 1 78 78 PHE HB2 H 1 2.837 0.01 . 1 . . . . 78 . HB2 . 11011 1 746 . 1 1 78 78 PHE HB3 H 1 2.624 0.01 . 1 . . . . 78 . HB3 . 11011 1 747 . 1 1 79 79 ASP N N 15 121.069 0.2 . 1 . . . . 79 . N . 11011 1 748 . 1 1 79 79 ASP H H 1 9.132 0.01 . 1 . . . . 79 . H . 11011 1 749 . 1 1 79 79 ASP CA C 13 52.041 0.2 . 1 . . . . 79 . CA . 11011 1 750 . 1 1 79 79 ASP HA H 1 5.203 0.01 . 1 . . . . 79 . HA . 11011 1 751 . 1 1 79 79 ASP CB C 13 40.454 0.2 . 1 . . . . 79 . CB . 11011 1 752 . 1 1 79 79 ASP HB2 H 1 2.766 0.01 . 1 . . . . 79 . HB2 . 11011 1 753 . 1 1 79 79 ASP HB3 H 1 2.369 0.01 . 1 . . . . 79 . HB3 . 11011 1 754 . 1 1 80 80 ILE N N 15 119.026 0.2 . 1 . . . . 80 . N . 11011 1 755 . 1 1 80 80 ILE H H 1 8.121 0.01 . 1 . . . . 80 . H . 11011 1 756 . 1 1 80 80 ILE CA C 13 57.364 0.2 . 1 . . . . 80 . CA . 11011 1 757 . 1 1 80 80 ILE HA H 1 4.797 0.01 . 1 . . . . 80 . HA . 11011 1 758 . 1 1 80 80 ILE CB C 13 38.262 0.2 . 1 . . . . 80 . CB . 11011 1 759 . 1 1 80 80 ILE HB H 1 1.106 0.01 . 1 . . . . 80 . HB . 11011 1 760 . 1 1 80 80 ILE HG21 H 1 0.591 0.01 . 1 . . . . 80 . HG2 . 11011 1 761 . 1 1 80 80 ILE HG22 H 1 0.591 0.01 . 1 . . . . 80 . HG2 . 11011 1 762 . 1 1 80 80 ILE HG23 H 1 0.591 0.01 . 1 . . . . 80 . HG2 . 11011 1 763 . 1 1 80 80 ILE CG2 C 13 15.402 0.2 . 1 . . . . 80 . CG2 . 11011 1 764 . 1 1 80 80 ILE CG1 C 13 25.110 0.2 . 1 . . . . 80 . CG1 . 11011 1 765 . 1 1 80 80 ILE HD11 H 1 0.491 0.01 . 1 . . . . 80 . HD1 . 11011 1 766 . 1 1 80 80 ILE HD12 H 1 0.491 0.01 . 1 . . . . 80 . HD1 . 11011 1 767 . 1 1 80 80 ILE HD13 H 1 0.491 0.01 . 1 . . . . 80 . HD1 . 11011 1 768 . 1 1 80 80 ILE CD1 C 13 12.584 0.2 . 1 . . . . 80 . CD1 . 11011 1 769 . 1 1 81 81 GLU N N 15 129.507 0.2 . 1 . . . . 81 . N . 11011 1 770 . 1 1 81 81 GLU H H 1 9.413 0.01 . 1 . . . . 81 . H . 11011 1 771 . 1 1 81 81 GLU HA H 1 4.773 0.01 . 1 . . . . 81 . HA . 11011 1 772 . 1 1 81 81 GLU CB C 13 30.120 0.2 . 1 . . . . 81 . CB . 11011 1 773 . 1 1 81 81 GLU HB2 H 1 1.930 0.01 . 1 . . . . 81 . HB2 . 11011 1 774 . 1 1 81 81 GLU HB3 H 1 1.792 0.01 . 1 . . . . 81 . HB3 . 11011 1 775 . 1 1 81 81 GLU CG C 13 33.565 0.2 . 1 . . . . 81 . CG . 11011 1 776 . 1 1 81 81 GLU HG2 H 1 2.055 0.01 . 1 . . . . 81 . QG . 11011 1 777 . 1 1 81 81 GLU HG3 H 1 2.055 0.01 . 1 . . . . 81 . QG . 11011 1 778 . 1 1 81 81 GLU CA C 13 52.185 0.2 . 1 . . . . 81 . CA . 11011 1 779 . 1 1 82 82 GLY N N 15 110.212 0.2 . 1 . . . . 82 . N . 11011 1 780 . 1 1 82 82 GLY H H 1 8.744 0.01 . 1 . . . . 82 . H . 11011 1 781 . 1 1 82 82 GLY CA C 13 42.646 0.2 . 1 . . . . 82 . CA . 11011 1 782 . 1 1 82 82 GLY HA3 H 1 4.621 0.01 . 1 . . . . 82 . HA3 . 11011 1 783 . 1 1 82 82 GLY HA2 H 1 3.671 0.01 . 1 . . . . 82 . HA2 . 11011 1 784 . 1 1 83 83 MET N N 15 119.941 0.2 . 1 . . . . 83 . N . 11011 1 785 . 1 1 83 83 MET H H 1 9.032 0.01 . 1 . . . . 83 . H . 11011 1 786 . 1 1 83 83 MET HA H 1 4.656 0.01 . 1 . . . . 83 . HA . 11011 1 787 . 1 1 83 83 MET HB2 H 1 2.418 0.01 . 1 . . . . 83 . HB2 . 11011 1 788 . 1 1 83 83 MET HB3 H 1 1.480 0.01 . 1 . . . . 83 . HB3 . 11011 1 789 . 1 1 83 83 MET HG2 H 1 1.889 0.01 . 1 . . . . 83 . HG2 . 11011 1 790 . 1 1 83 83 MET HG3 H 1 1.814 0.01 . 1 . . . . 83 . HG3 . 11011 1 791 . 1 1 83 83 MET CB C 13 31.580 0.2 . 1 . . . . 83 . CB . 11011 1 792 . 1 1 83 83 MET CA C 13 55.493 0.2 . 1 . . . . 83 . CA . 11011 1 793 . 1 1 84 84 THR N N 15 119.568 0.2 . 1 . . . . 84 . N . 11011 1 794 . 1 1 84 84 THR H H 1 10.609 0.01 . 1 . . . . 84 . H . 11011 1 795 . 1 1 84 84 THR CA C 13 59.557 0.2 . 1 . . . . 84 . CA . 11011 1 796 . 1 1 84 84 THR HA H 1 4.668 0.01 . 1 . . . . 84 . HA . 11011 1 797 . 1 1 84 84 THR CB C 13 67.875 0.2 . 1 . . . . 84 . CB . 11011 1 798 . 1 1 84 84 THR HB H 1 4.280 0.01 . 1 . . . . 84 . HB . 11011 1 799 . 1 1 84 84 THR HG21 H 1 1.185 0.01 . 1 . . . . 84 . HG2 . 11011 1 800 . 1 1 84 84 THR HG22 H 1 1.185 0.01 . 1 . . . . 84 . HG2 . 11011 1 801 . 1 1 84 84 THR HG23 H 1 1.185 0.01 . 1 . . . . 84 . HG2 . 11011 1 802 . 1 1 85 85 CYS N N 15 118.834 0.2 . 1 . . . . 85 . N . 11011 1 803 . 1 1 85 85 CYS H H 1 8.501 0.01 . 1 . . . . 85 . H . 11011 1 804 . 1 1 85 85 CYS CA C 13 53.920 0.2 . 1 . . . . 85 . CA . 11011 1 805 . 1 1 85 85 CYS HA H 1 4.765 0.01 . 1 . . . . 85 . HA . 11011 1 806 . 1 1 85 85 CYS CB C 13 27.928 0.2 . 1 . . . . 85 . CB . 11011 1 807 . 1 1 85 85 CYS HB2 H 1 3.301 0.01 . 1 . . . . 85 . HB2 . 11011 1 808 . 1 1 85 85 CYS HB3 H 1 2.822 0.01 . 1 . . . . 85 . HB3 . 11011 1 809 . 1 1 87 87 ALA N N 15 120.459 0.2 . 1 . . . . 87 . N . 11011 1 810 . 1 1 87 87 ALA H H 1 8.053 0.01 . 1 . . . . 87 . H . 11011 1 811 . 1 1 87 87 ALA HA H 1 3.999 0.01 . 1 . . . . 87 . HA . 11011 1 812 . 1 1 87 87 ALA CB C 13 15.229 0.2 . 1 . . . . 87 . CB . 11011 1 813 . 1 1 87 87 ALA CA C 13 52.526 0.2 . 1 . . . . 87 . CA . 11011 1 814 . 1 1 88 88 CYS N N 15 122.271 0.2 . 1 . . . . 88 . N . 11011 1 815 . 1 1 88 88 CYS H H 1 7.773 0.01 . 1 . . . . 88 . H . 11011 1 816 . 1 1 88 88 CYS CA C 13 61.749 0.2 . 1 . . . . 88 . CA . 11011 1 817 . 1 1 88 88 CYS HA H 1 3.750 0.01 . 1 . . . . 88 . HA . 11011 1 818 . 1 1 88 88 CYS CB C 13 26.989 0.2 . 1 . . . . 88 . CB . 11011 1 819 . 1 1 88 88 CYS HB2 H 1 3.209 0.01 . 1 . . . . 88 . HB2 . 11011 1 820 . 1 1 88 88 CYS HB3 H 1 2.482 0.01 . 1 . . . . 88 . HB3 . 11011 1 821 . 1 1 89 89 ALA N N 15 119.128 0.2 . 1 . . . . 89 . N . 11011 1 822 . 1 1 89 89 ALA H H 1 6.440 0.01 . 1 . . . . 89 . H . 11011 1 823 . 1 1 89 89 ALA CA C 13 52.354 0.2 . 1 . . . . 89 . CA . 11011 1 824 . 1 1 89 89 ALA HA H 1 3.766 0.01 . 1 . . . . 89 . HA . 11011 1 825 . 1 1 89 89 ALA CB C 13 16.028 0.2 . 1 . . . . 89 . CB . 11011 1 826 . 1 1 90 90 ASN N N 15 115.223 0.2 . 1 . . . . 90 . N . 11011 1 827 . 1 1 90 90 ASN H H 1 7.366 0.01 . 1 . . . . 90 . H . 11011 1 828 . 1 1 90 90 ASN CA C 13 53.607 0.2 . 1 . . . . 90 . CA . 11011 1 829 . 1 1 90 90 ASN HA H 1 4.365 0.01 . 1 . . . . 90 . HA . 11011 1 830 . 1 1 90 90 ASN CB C 13 36.383 0.2 . 1 . . . . 90 . CB . 11011 1 831 . 1 1 90 90 ASN HB2 H 1 2.700 0.01 . 1 . . . . 90 . QB . 11011 1 832 . 1 1 90 90 ASN HB3 H 1 2.700 0.01 . 1 . . . . 90 . QB . 11011 1 833 . 1 1 90 90 ASN ND2 N 15 112.339 0.2 . 1 . . . . 90 . ND2 . 11011 1 834 . 1 1 90 90 ASN HD21 H 1 7.633 0.01 . 1 . . . . 90 . HD21 . 11011 1 835 . 1 1 90 90 ASN HD22 H 1 6.885 0.01 . 1 . . . . 90 . HD22 . 11011 1 836 . 1 1 91 91 ARG N N 15 119.926 0.2 . 1 . . . . 91 . N . 11011 1 837 . 1 1 91 91 ARG H H 1 7.926 0.01 . 1 . . . . 91 . H . 11011 1 838 . 1 1 91 91 ARG CA C 13 57.073 0.2 . 1 . . . . 91 . CA . 11011 1 839 . 1 1 91 91 ARG HA H 1 3.894 0.01 . 1 . . . . 91 . HA . 11011 1 840 . 1 1 91 91 ARG CB C 13 27.928 0.2 . 1 . . . . 91 . CB . 11011 1 841 . 1 1 91 91 ARG HB2 H 1 2.004 0.01 . 1 . . . . 91 . HB2 . 11011 1 842 . 1 1 91 91 ARG HB3 H 1 1.891 0.01 . 1 . . . . 91 . HB3 . 11011 1 843 . 1 1 91 91 ARG CG C 13 24.797 0.2 . 1 . . . . 91 . CG . 11011 1 844 . 1 1 91 91 ARG HG2 H 1 1.751 0.01 . 1 . . . . 91 . HG2 . 11011 1 845 . 1 1 91 91 ARG HG3 H 1 1.581 0.01 . 1 . . . . 91 . HG3 . 11011 1 846 . 1 1 91 91 ARG HD3 H 1 3.258 0.01 . 1 . . . . 91 . HD3 . 11011 1 847 . 1 1 92 92 ILE N N 15 120.363 0.2 . 1 . . . . 92 . N . 11011 1 848 . 1 1 92 92 ILE H H 1 7.858 0.01 . 1 . . . . 92 . H . 11011 1 849 . 1 1 92 92 ILE CA C 13 63.314 0.2 . 1 . . . . 92 . CA . 11011 1 850 . 1 1 92 92 ILE HA H 1 3.199 0.01 . 1 . . . . 92 . HA . 11011 1 851 . 1 1 92 92 ILE CB C 13 36.070 0.2 . 1 . . . . 92 . CB . 11011 1 852 . 1 1 92 92 ILE HB H 1 1.559 0.01 . 1 . . . . 92 . HB . 11011 1 853 . 1 1 92 92 ILE HG21 H 1 0.461 0.01 . 1 . . . . 92 . HG2 . 11011 1 854 . 1 1 92 92 ILE HG22 H 1 0.461 0.01 . 1 . . . . 92 . HG2 . 11011 1 855 . 1 1 92 92 ILE HG23 H 1 0.461 0.01 . 1 . . . . 92 . HG2 . 11011 1 856 . 1 1 92 92 ILE CG2 C 13 14.463 0.2 . 1 . . . . 92 . CG2 . 11011 1 857 . 1 1 92 92 ILE CG1 C 13 28.241 0.2 . 1 . . . . 92 . CG1 . 11011 1 858 . 1 1 92 92 ILE HG12 H 1 1.425 0.01 . 1 . . . . 92 . HG12 . 11011 1 859 . 1 1 92 92 ILE HG13 H 1 0.288 0.01 . 1 . . . . 92 . HG13 . 11011 1 860 . 1 1 92 92 ILE HD11 H 1 0.004 0.01 . 1 . . . . 92 . HD1 . 11011 1 861 . 1 1 92 92 ILE HD12 H 1 0.004 0.01 . 1 . . . . 92 . HD1 . 11011 1 862 . 1 1 92 92 ILE HD13 H 1 0.004 0.01 . 1 . . . . 92 . HD1 . 11011 1 863 . 1 1 92 92 ILE CD1 C 13 11.018 0.2 . 1 . . . . 92 . CD1 . 11011 1 864 . 1 1 93 93 GLU N N 15 119.588 0.2 . 1 . . . . 93 . N . 11011 1 865 . 1 1 93 93 GLU H H 1 8.279 0.01 . 1 . . . . 93 . H . 11011 1 866 . 1 1 93 93 GLU CA C 13 58.518 0.2 . 1 . . . . 93 . CA . 11011 1 867 . 1 1 93 93 GLU HA H 1 3.942 0.01 . 1 . . . . 93 . HA . 11011 1 868 . 1 1 93 93 GLU CB C 13 27.705 0.2 . 1 . . . . 93 . CB . 11011 1 869 . 1 1 93 93 GLU HB2 H 1 2.306 0.01 . 1 . . . . 93 . HB2 . 11011 1 870 . 1 1 93 93 GLU HB3 H 1 1.882 0.01 . 1 . . . . 93 . HB3 . 11011 1 871 . 1 1 93 93 GLU CG C 13 32.939 0.2 . 1 . . . . 93 . CG . 11011 1 872 . 1 1 93 93 GLU HG2 H 1 2.786 0.01 . 1 . . . . 93 . HG2 . 11011 1 873 . 1 1 93 93 GLU HG3 H 1 2.007 0.01 . 1 . . . . 93 . HG3 . 11011 1 874 . 1 1 94 94 LYS N N 15 116.040 0.2 . 1 . . . . 94 . N . 11011 1 875 . 1 1 94 94 LYS H H 1 8.169 0.01 . 1 . . . . 94 . H . 11011 1 876 . 1 1 94 94 LYS CA C 13 56.738 0.2 . 1 . . . . 94 . CA . 11011 1 877 . 1 1 94 94 LYS HA H 1 3.792 0.01 . 1 . . . . 94 . HA . 11011 1 878 . 1 1 94 94 LYS CB C 13 29.807 0.2 . 1 . . . . 94 . CB . 11011 1 879 . 1 1 94 94 LYS HB2 H 1 1.827 0.01 . 1 . . . . 94 . HB2 . 11011 1 880 . 1 1 94 94 LYS HB3 H 1 1.710 0.01 . 1 . . . . 94 . HB3 . 11011 1 881 . 1 1 94 94 LYS CG C 13 22.918 0.2 . 1 . . . . 94 . CG . 11011 1 882 . 1 1 94 94 LYS HG2 H 1 1.481 0.01 . 1 . . . . 94 . HG2 . 11011 1 883 . 1 1 94 94 LYS HG3 H 1 1.305 0.01 . 1 . . . . 94 . HG3 . 11011 1 884 . 1 1 94 94 LYS CD C 13 26.049 0.2 . 1 . . . . 94 . CD . 11011 1 885 . 1 1 94 94 LYS HD2 H 1 1.628 0.01 . 1 . . . . 94 . QD . 11011 1 886 . 1 1 94 94 LYS HD3 H 1 1.628 0.01 . 1 . . . . 94 . QD . 11011 1 887 . 1 1 94 94 LYS HE2 H 1 3.044 0.01 . 1 . . . . 94 . QE . 11011 1 888 . 1 1 94 94 LYS HE3 H 1 3.044 0.01 . 1 . . . . 94 . QE . 11011 1 889 . 1 1 95 95 ARG N N 15 117.340 0.2 . 1 . . . . 95 . N . 11011 1 890 . 1 1 95 95 ARG H H 1 7.546 0.01 . 1 . . . . 95 . H . 11011 1 891 . 1 1 95 95 ARG CA C 13 54.233 0.2 . 1 . . . . 95 . CA . 11011 1 892 . 1 1 95 95 ARG HA H 1 4.146 0.01 . 1 . . . . 95 . HA . 11011 1 893 . 1 1 95 95 ARG HB2 H 1 1.579 0.01 . 1 . . . . 95 . QB . 11011 1 894 . 1 1 95 95 ARG HB3 H 1 1.579 0.01 . 1 . . . . 95 . QB . 11011 1 895 . 1 1 95 95 ARG CG C 13 22.605 0.2 . 1 . . . . 95 . CG . 11011 1 896 . 1 1 95 95 ARG HG2 H 1 1.043 0.01 . 1 . . . . 95 . QG . 11011 1 897 . 1 1 95 95 ARG HG3 H 1 1.043 0.01 . 1 . . . . 95 . QG . 11011 1 898 . 1 1 95 95 ARG HD2 H 1 1.444 0.01 . 1 . . . . 95 . QD . 11011 1 899 . 1 1 95 95 ARG HD3 H 1 1.444 0.01 . 1 . . . . 95 . QD . 11011 1 900 . 1 1 95 95 ARG CB C 13 26.476 0.2 . 1 . . . . 95 . CB . 11011 1 901 . 1 1 96 96 LEU N N 15 119.230 0.2 . 1 . . . . 96 . N . 11011 1 902 . 1 1 96 96 LEU H H 1 8.414 0.01 . 1 . . . . 96 . H . 11011 1 903 . 1 1 96 96 LEU CA C 13 55.172 0.2 . 1 . . . . 96 . CA . 11011 1 904 . 1 1 96 96 LEU HA H 1 3.837 0.01 . 1 . . . . 96 . HA . 11011 1 905 . 1 1 96 96 LEU CB C 13 39.515 0.2 . 1 . . . . 96 . CB . 11011 1 906 . 1 1 96 96 LEU HB2 H 1 1.795 0.01 . 1 . . . . 96 . HB2 . 11011 1 907 . 1 1 96 96 LEU HB3 H 1 0.848 0.01 . 1 . . . . 96 . HB3 . 11011 1 908 . 1 1 96 96 LEU CG C 13 24.170 0.2 . 1 . . . . 96 . CG . 11011 1 909 . 1 1 96 96 LEU HG H 1 0.440 0.01 . 1 . . . . 96 . HG . 11011 1 910 . 1 1 96 96 LEU HD11 H 1 0.585 0.01 . 1 . . . . 96 . HD1 . 11011 1 911 . 1 1 96 96 LEU HD12 H 1 0.585 0.01 . 1 . . . . 96 . HD1 . 11011 1 912 . 1 1 96 96 LEU HD13 H 1 0.585 0.01 . 1 . . . . 96 . HD1 . 11011 1 913 . 1 1 96 96 LEU HD21 H 1 0.539 0.01 . 1 . . . . 96 . HD2 . 11011 1 914 . 1 1 96 96 LEU HD22 H 1 0.539 0.01 . 1 . . . . 96 . HD2 . 11011 1 915 . 1 1 96 96 LEU HD23 H 1 0.539 0.01 . 1 . . . . 96 . HD2 . 11011 1 916 . 1 1 96 96 LEU CD2 C 13 21.039 0.2 . 1 . . . . 96 . CD2 . 11011 1 917 . 1 1 97 97 ASN N N 15 113.170 0.2 . 1 . . . . 97 . N . 11011 1 918 . 1 1 97 97 ASN H H 1 7.720 0.01 . 1 . . . . 97 . H . 11011 1 919 . 1 1 97 97 ASN CA C 13 52.667 0.2 . 1 . . . . 97 . CA . 11011 1 920 . 1 1 97 97 ASN HA H 1 4.222 0.01 . 1 . . . . 97 . HA . 11011 1 921 . 1 1 97 97 ASN CB C 13 36.696 0.2 . 1 . . . . 97 . CB . 11011 1 922 . 1 1 97 97 ASN HB2 H 1 2.589 0.01 . 1 . . . . 97 . QB . 11011 1 923 . 1 1 97 97 ASN HB3 H 1 2.589 0.01 . 1 . . . . 97 . QB . 11011 1 924 . 1 1 97 97 ASN ND2 N 15 111.645 0.2 . 1 . . . . 97 . ND2 . 11011 1 925 . 1 1 97 97 ASN HD21 H 1 6.722 0.01 . 1 . . . . 97 . HD21 . 11011 1 926 . 1 1 97 97 ASN HD22 H 1 7.060 0.01 . 1 . . . . 97 . HD22 . 11011 1 927 . 1 1 98 98 LYS N N 15 116.472 0.2 . 1 . . . . 98 . N . 11011 1 928 . 1 1 98 98 LYS H H 1 7.045 0.01 . 1 . . . . 98 . H . 11011 1 929 . 1 1 98 98 LYS CA C 13 53.607 0.2 . 1 . . . . 98 . CA . 11011 1 930 . 1 1 98 98 LYS HA H 1 4.146 0.01 . 1 . . . . 98 . HA . 11011 1 931 . 1 1 98 98 LYS CB C 13 30.433 0.2 . 1 . . . . 98 . CB . 11011 1 932 . 1 1 98 98 LYS HB2 H 1 1.873 0.01 . 1 . . . . 98 . HB2 . 11011 1 933 . 1 1 98 98 LYS HB3 H 1 1.728 0.01 . 1 . . . . 98 . HB3 . 11011 1 934 . 1 1 98 98 LYS CG C 13 22.605 0.2 . 1 . . . . 98 . CG . 11011 1 935 . 1 1 98 98 LYS HG2 H 1 1.503 0.01 . 1 . . . . 98 . HG2 . 11011 1 936 . 1 1 98 98 LYS HG3 H 1 1.434 0.01 . 1 . . . . 98 . HG3 . 11011 1 937 . 1 1 98 98 LYS HD2 H 1 1.543 0.01 . 1 . . . . 98 . QD . 11011 1 938 . 1 1 98 98 LYS HD3 H 1 1.543 0.01 . 1 . . . . 98 . QD . 11011 1 939 . 1 1 98 98 LYS HE3 H 1 2.825 0.01 . 1 . . . . 98 . HE3 . 11011 1 940 . 1 1 99 99 ILE N N 15 123.254 0.2 . 1 . . . . 99 . N . 11011 1 941 . 1 1 99 99 ILE H H 1 7.334 0.01 . 1 . . . . 99 . H . 11011 1 942 . 1 1 99 99 ILE CA C 13 59.243 0.2 . 1 . . . . 99 . CA . 11011 1 943 . 1 1 99 99 ILE HA H 1 3.822 0.01 . 1 . . . . 99 . HA . 11011 1 944 . 1 1 99 99 ILE CB C 13 34.504 0.2 . 1 . . . . 99 . CB . 11011 1 945 . 1 1 99 99 ILE HB H 1 1.922 0.01 . 1 . . . . 99 . HB . 11011 1 946 . 1 1 99 99 ILE HG21 H 1 0.656 0.01 . 1 . . . . 99 . HG2 . 11011 1 947 . 1 1 99 99 ILE HG22 H 1 0.656 0.01 . 1 . . . . 99 . HG2 . 11011 1 948 . 1 1 99 99 ILE HG23 H 1 0.656 0.01 . 1 . . . . 99 . HG2 . 11011 1 949 . 1 1 99 99 ILE CG2 C 13 13.523 0.2 . 1 . . . . 99 . CG2 . 11011 1 950 . 1 1 99 99 ILE CG1 C 13 24.797 0.2 . 1 . . . . 99 . CG1 . 11011 1 951 . 1 1 99 99 ILE HG12 H 1 1.665 0.01 . 1 . . . . 99 . HG12 . 11011 1 952 . 1 1 99 99 ILE HG13 H 1 0.954 0.01 . 1 . . . . 99 . HG13 . 11011 1 953 . 1 1 99 99 ILE HD11 H 1 0.595 0.01 . 1 . . . . 99 . HD1 . 11011 1 954 . 1 1 99 99 ILE HD12 H 1 0.595 0.01 . 1 . . . . 99 . HD1 . 11011 1 955 . 1 1 99 99 ILE HD13 H 1 0.595 0.01 . 1 . . . . 99 . HD1 . 11011 1 956 . 1 1 99 99 ILE CD1 C 13 12.270 0.2 . 1 . . . . 99 . CD1 . 11011 1 957 . 1 1 100 100 GLU N N 15 131.215 0.2 . 1 . . . . 100 . N . 11011 1 958 . 1 1 100 100 GLU H H 1 8.783 0.01 . 1 . . . . 100 . H . 11011 1 959 . 1 1 100 100 GLU CA C 13 56.112 0.2 . 1 . . . . 100 . CA . 11011 1 960 . 1 1 100 100 GLU HA H 1 3.939 0.01 . 1 . . . . 100 . HA . 11011 1 961 . 1 1 100 100 GLU CB C 13 26.049 0.2 . 1 . . . . 100 . CB . 11011 1 962 . 1 1 100 100 GLU HB2 H 1 1.905 0.01 . 1 . . . . 100 . QB . 11011 1 963 . 1 1 100 100 GLU HB3 H 1 1.905 0.01 . 1 . . . . 100 . QB . 11011 1 964 . 1 1 100 100 GLU CG C 13 33.565 0.2 . 1 . . . . 100 . CG . 11011 1 965 . 1 1 100 100 GLU HG2 H 1 2.212 0.01 . 1 . . . . 100 . QG . 11011 1 966 . 1 1 100 100 GLU HG3 H 1 2.212 0.01 . 1 . . . . 100 . QG . 11011 1 967 . 1 1 101 101 GLY N N 15 110.640 0.2 . 1 . . . . 101 . N . 11011 1 968 . 1 1 101 101 GLY H H 1 8.570 0.01 . 1 . . . . 101 . H . 11011 1 969 . 1 1 101 101 GLY CA C 13 42.646 0.2 . 1 . . . . 101 . CA . 11011 1 970 . 1 1 101 101 GLY HA3 H 1 4.309 0.01 . 1 . . . . 101 . HA3 . 11011 1 971 . 1 1 101 101 GLY HA2 H 1 3.882 0.01 . 1 . . . . 101 . HA2 . 11011 1 972 . 1 1 102 102 VAL N N 15 123.312 0.2 . 1 . . . . 102 . N . 11011 1 973 . 1 1 102 102 VAL H H 1 7.918 0.01 . 1 . . . . 102 . H . 11011 1 974 . 1 1 102 102 VAL CA C 13 61.435 0.2 . 1 . . . . 102 . CA . 11011 1 975 . 1 1 102 102 VAL HA H 1 3.910 0.01 . 1 . . . . 102 . HA . 11011 1 976 . 1 1 102 102 VAL CB C 13 28.745 0.2 . 1 . . . . 102 . CB . 11011 1 977 . 1 1 102 102 VAL HB H 1 2.262 0.01 . 1 . . . . 102 . HB . 11011 1 978 . 1 1 102 102 VAL HG11 H 1 0.704 0.01 . 1 . . . . 102 . HG1 . 11011 1 979 . 1 1 102 102 VAL HG12 H 1 0.704 0.01 . 1 . . . . 102 . HG1 . 11011 1 980 . 1 1 102 102 VAL HG13 H 1 0.704 0.01 . 1 . . . . 102 . HG1 . 11011 1 981 . 1 1 102 102 VAL HG21 H 1 0.578 0.01 . 1 . . . . 102 . HG2 . 11011 1 982 . 1 1 102 102 VAL HG22 H 1 0.578 0.01 . 1 . . . . 102 . HG2 . 11011 1 983 . 1 1 102 102 VAL HG23 H 1 0.578 0.01 . 1 . . . . 102 . HG2 . 11011 1 984 . 1 1 102 102 VAL CG1 C 13 18.847 0.2 . 1 . . . . 102 . CG1 . 11011 1 985 . 1 1 102 102 VAL CG2 C 13 18.847 0.2 . 1 . . . . 102 . CG2 . 11011 1 986 . 1 1 103 103 ALA N N 15 131.313 0.2 . 1 . . . . 103 . N . 11011 1 987 . 1 1 103 103 ALA H H 1 9.099 0.01 . 1 . . . . 103 . H . 11011 1 988 . 1 1 103 103 ALA CA C 13 50.475 0.2 . 1 . . . . 103 . CA . 11011 1 989 . 1 1 103 103 ALA HA H 1 4.341 0.01 . 1 . . . . 103 . HA . 11011 1 990 . 1 1 103 103 ALA CB C 13 17.214 0.2 . 1 . . . . 103 . CB . 11011 1 991 . 1 1 104 104 ASN N N 15 112.409 0.2 . 1 . . . . 104 . N . 11011 1 992 . 1 1 104 104 ASN H H 1 7.547 0.01 . 1 . . . . 104 . H . 11011 1 993 . 1 1 104 104 ASN HA H 1 4.698 0.01 . 1 . . . . 104 . HA . 11011 1 994 . 1 1 104 104 ASN CB C 13 38.888 0.2 . 1 . . . . 104 . CB . 11011 1 995 . 1 1 104 104 ASN HB2 H 1 2.778 0.01 . 1 . . . . 104 . HB2 . 11011 1 996 . 1 1 104 104 ASN HB3 H 1 2.594 0.01 . 1 . . . . 104 . HB3 . 11011 1 997 . 1 1 104 104 ASN ND2 N 15 114.569 0.2 . 1 . . . . 104 . ND2 . 11011 1 998 . 1 1 104 104 ASN HD21 H 1 7.417 0.01 . 1 . . . . 104 . HD21 . 11011 1 999 . 1 1 104 104 ASN HD22 H 1 6.958 0.01 . 1 . . . . 104 . HD22 . 11011 1 1000 . 1 1 104 104 ASN CA C 13 50.856 0.2 . 1 . . . . 104 . CA . 11011 1 1001 . 1 1 105 105 ALA N N 15 124.111 0.2 . 1 . . . . 105 . N . 11011 1 1002 . 1 1 105 105 ALA H H 1 8.867 0.01 . 1 . . . . 105 . H . 11011 1 1003 . 1 1 105 105 ALA CA C 13 47.970 0.2 . 1 . . . . 105 . CA . 11011 1 1004 . 1 1 105 105 ALA HA H 1 4.706 0.01 . 1 . . . . 105 . HA . 11011 1 1005 . 1 1 105 105 ALA CB C 13 18.220 0.2 . 1 . . . . 105 . CB . 11011 1 1006 . 1 1 106 106 PRO CD C 13 46.717 0.2 . 1 . . . . 106 . CD . 11011 1 1007 . 1 1 106 106 PRO CA C 13 59.557 0.2 . 1 . . . . 106 . CA . 11011 1 1008 . 1 1 106 106 PRO HA H 1 4.387 0.01 . 1 . . . . 106 . HA . 11011 1 1009 . 1 1 106 106 PRO CB C 13 27.928 0.2 . 1 . . . . 106 . CB . 11011 1 1010 . 1 1 106 106 PRO HB2 H 1 1.995 0.01 . 1 . . . . 106 . HB2 . 11011 1 1011 . 1 1 106 106 PRO HB3 H 1 1.861 0.01 . 1 . . . . 106 . HB3 . 11011 1 1012 . 1 1 106 106 PRO CG C 13 25.110 0.2 . 1 . . . . 106 . CG . 11011 1 1013 . 1 1 106 106 PRO HG2 H 1 1.854 0.01 . 1 . . . . 106 . QG . 11011 1 1014 . 1 1 106 106 PRO HG3 H 1 1.854 0.01 . 1 . . . . 106 . QG . 11011 1 1015 . 1 1 106 106 PRO HD2 H 1 3.823 0.01 . 1 . . . . 106 . HD2 . 11011 1 1016 . 1 1 106 106 PRO HD3 H 1 3.496 0.01 . 1 . . . . 106 . HD3 . 11011 1 1017 . 1 1 107 107 VAL N N 15 129.829 0.2 . 1 . . . . 107 . N . 11011 1 1018 . 1 1 107 107 VAL H H 1 8.249 0.01 . 1 . . . . 107 . H . 11011 1 1019 . 1 1 107 107 VAL CA C 13 59.870 0.2 . 1 . . . . 107 . CA . 11011 1 1020 . 1 1 107 107 VAL HA H 1 3.737 0.01 . 1 . . . . 107 . HA . 11011 1 1021 . 1 1 107 107 VAL CB C 13 29.494 0.2 . 1 . . . . 107 . CB . 11011 1 1022 . 1 1 107 107 VAL HB H 1 1.945 0.01 . 1 . . . . 107 . HB . 11011 1 1023 . 1 1 107 107 VAL HG11 H 1 0.808 0.01 . 1 . . . . 107 . HG1 . 11011 1 1024 . 1 1 107 107 VAL HG12 H 1 0.808 0.01 . 1 . . . . 107 . HG1 . 11011 1 1025 . 1 1 107 107 VAL HG13 H 1 0.808 0.01 . 1 . . . . 107 . HG1 . 11011 1 1026 . 1 1 107 107 VAL HG21 H 1 0.578 0.01 . 1 . . . . 107 . HG2 . 11011 1 1027 . 1 1 107 107 VAL HG22 H 1 0.578 0.01 . 1 . . . . 107 . HG2 . 11011 1 1028 . 1 1 107 107 VAL HG23 H 1 0.578 0.01 . 1 . . . . 107 . HG2 . 11011 1 1029 . 1 1 107 107 VAL CG1 C 13 18.847 0.2 . 1 . . . . 107 . CG1 . 11011 1 1030 . 1 1 107 107 VAL CG2 C 13 17.594 0.2 . 1 . . . . 107 . CG2 . 11011 1 1031 . 1 1 108 108 ASN N N 15 127.506 0.2 . 1 . . . . 108 . N . 11011 1 1032 . 1 1 108 108 ASN H H 1 9.063 0.01 . 1 . . . . 108 . H . 11011 1 1033 . 1 1 108 108 ASN CA C 13 48.596 0.2 . 1 . . . . 108 . CA . 11011 1 1034 . 1 1 108 108 ASN HA H 1 4.761 0.01 . 1 . . . . 108 . HA . 11011 1 1035 . 1 1 108 108 ASN CB C 13 35.645 0.2 . 1 . . . . 108 . CB . 11011 1 1036 . 1 1 108 108 ASN HB2 H 1 3.144 0.01 . 1 . . . . 108 . HB2 . 11011 1 1037 . 1 1 108 108 ASN HB3 H 1 2.428 0.01 . 1 . . . . 108 . HB3 . 11011 1 1038 . 1 1 108 108 ASN ND2 N 15 112.830 0.2 . 1 . . . . 108 . ND2 . 11011 1 1039 . 1 1 108 108 ASN HD21 H 1 7.680 0.01 . 1 . . . . 108 . HD21 . 11011 1 1040 . 1 1 108 108 ASN HD22 H 1 6.808 0.01 . 1 . . . . 108 . HD22 . 11011 1 1041 . 1 1 109 109 PHE N N 15 125.296 0.2 . 1 . . . . 109 . N . 11011 1 1042 . 1 1 109 109 PHE H H 1 8.768 0.01 . 1 . . . . 109 . H . 11011 1 1043 . 1 1 109 109 PHE CA C 13 58.304 0.2 . 1 . . . . 109 . CA . 11011 1 1044 . 1 1 109 109 PHE HA H 1 3.935 0.01 . 1 . . . . 109 . HA . 11011 1 1045 . 1 1 109 109 PHE CB C 13 36.696 0.2 . 1 . . . . 109 . CB . 11011 1 1046 . 1 1 109 109 PHE HB2 H 1 3.039 0.01 . 1 . . . . 109 . HB2 . 11011 1 1047 . 1 1 109 109 PHE HB3 H 1 2.831 0.01 . 1 . . . . 109 . HB3 . 11011 1 1048 . 1 1 110 110 ALA N N 15 119.845 0.2 . 1 . . . . 110 . N . 11011 1 1049 . 1 1 110 110 ALA H H 1 8.116 0.01 . 1 . . . . 110 . H . 11011 1 1050 . 1 1 110 110 ALA CA C 13 52.041 0.2 . 1 . . . . 110 . CA . 11011 1 1051 . 1 1 110 110 ALA HA H 1 3.577 0.01 . 1 . . . . 110 . HA . 11011 1 1052 . 1 1 110 110 ALA CB C 13 15.402 0.2 . 1 . . . . 110 . CB . 11011 1 1053 . 1 1 111 111 LEU N N 15 113.515 0.2 . 1 . . . . 111 . N . 11011 1 1054 . 1 1 111 111 LEU H H 1 7.226 0.01 . 1 . . . . 111 . H . 11011 1 1055 . 1 1 111 111 LEU CA C 13 51.101 0.2 . 1 . . . . 111 . CA . 11011 1 1056 . 1 1 111 111 LEU HA H 1 4.180 0.01 . 1 . . . . 111 . HA . 11011 1 1057 . 1 1 111 111 LEU CB C 13 39.202 0.2 . 1 . . . . 111 . CB . 11011 1 1058 . 1 1 111 111 LEU HB2 H 1 1.413 0.01 . 1 . . . . 111 . HB2 . 11011 1 1059 . 1 1 111 111 LEU HB3 H 1 1.241 0.01 . 1 . . . . 111 . HB3 . 11011 1 1060 . 1 1 111 111 LEU CG C 13 24.170 0.2 . 1 . . . . 111 . CG . 11011 1 1061 . 1 1 111 111 LEU HG H 1 1.438 0.01 . 1 . . . . 111 . HG . 11011 1 1062 . 1 1 111 111 LEU HD11 H 1 0.724 0.01 . 1 . . . . 111 . HD1 . 11011 1 1063 . 1 1 111 111 LEU HD12 H 1 0.724 0.01 . 1 . . . . 111 . HD1 . 11011 1 1064 . 1 1 111 111 LEU HD13 H 1 0.724 0.01 . 1 . . . . 111 . HD1 . 11011 1 1065 . 1 1 111 111 LEU HD21 H 1 0.651 0.01 . 1 . . . . 111 . HD2 . 11011 1 1066 . 1 1 111 111 LEU HD22 H 1 0.651 0.01 . 1 . . . . 111 . HD2 . 11011 1 1067 . 1 1 111 111 LEU HD23 H 1 0.651 0.01 . 1 . . . . 111 . HD2 . 11011 1 1068 . 1 1 111 111 LEU CD1 C 13 22.918 0.2 . 1 . . . . 111 . CD1 . 11011 1 1069 . 1 1 111 111 LEU CD2 C 13 19.160 0.2 . 1 . . . . 111 . CD2 . 11011 1 1070 . 1 1 112 112 GLU N N 15 116.954 0.2 . 1 . . . . 112 . N . 11011 1 1071 . 1 1 112 112 GLU H H 1 7.699 0.01 . 1 . . . . 112 . H . 11011 1 1072 . 1 1 112 112 GLU CA C 13 54.546 0.2 . 1 . . . . 112 . CA . 11011 1 1073 . 1 1 112 112 GLU HA H 1 3.313 0.01 . 1 . . . . 112 . HA . 11011 1 1074 . 1 1 112 112 GLU CB C 13 24.170 0.2 . 1 . . . . 112 . CB . 11011 1 1075 . 1 1 112 112 GLU HB2 H 1 2.290 0.01 . 1 . . . . 112 . HB2 . 11011 1 1076 . 1 1 112 112 GLU HB3 H 1 2.189 0.01 . 1 . . . . 112 . HB3 . 11011 1 1077 . 1 1 112 112 GLU CG C 13 35.131 0.2 . 1 . . . . 112 . CG . 11011 1 1078 . 1 1 112 112 GLU HG2 H 1 1.892 0.01 . 1 . . . . 112 . HG2 . 11011 1 1079 . 1 1 112 112 GLU HG3 H 1 1.746 0.01 . 1 . . . . 112 . HG3 . 11011 1 1080 . 1 1 113 113 THR N N 15 108.286 0.2 . 1 . . . . 113 . N . 11011 1 1081 . 1 1 113 113 THR H H 1 7.714 0.01 . 1 . . . . 113 . H . 11011 1 1082 . 1 1 113 113 THR CA C 13 56.911 0.2 . 1 . . . . 113 . CA . 11011 1 1083 . 1 1 113 113 THR HA H 1 5.483 0.01 . 1 . . . . 113 . HA . 11011 1 1084 . 1 1 113 113 THR CB C 13 70.517 0.2 . 1 . . . . 113 . CB . 11011 1 1085 . 1 1 113 113 THR HB H 1 4.142 0.01 . 1 . . . . 113 . HB . 11011 1 1086 . 1 1 113 113 THR HG21 H 1 1.103 0.01 . 1 . . . . 113 . HG2 . 11011 1 1087 . 1 1 113 113 THR HG22 H 1 1.103 0.01 . 1 . . . . 113 . HG2 . 11011 1 1088 . 1 1 113 113 THR HG23 H 1 1.103 0.01 . 1 . . . . 113 . HG2 . 11011 1 1089 . 1 1 113 113 THR CG2 C 13 18.534 0.2 . 1 . . . . 113 . CG2 . 11011 1 1090 . 1 1 114 114 VAL N N 15 116.904 0.2 . 1 . . . . 114 . N . 11011 1 1091 . 1 1 114 114 VAL H H 1 8.581 0.01 . 1 . . . . 114 . H . 11011 1 1092 . 1 1 114 114 VAL HA H 1 4.627 0.01 . 1 . . . . 114 . HA . 11011 1 1093 . 1 1 114 114 VAL CB C 13 31.675 0.2 . 1 . . . . 114 . CB . 11011 1 1094 . 1 1 114 114 VAL HB H 1 1.993 0.01 . 1 . . . . 114 . HB . 11011 1 1095 . 1 1 114 114 VAL HG11 H 1 0.649 0.01 . 1 . . . . 114 . HG1 . 11011 1 1096 . 1 1 114 114 VAL HG12 H 1 0.649 0.01 . 1 . . . . 114 . HG1 . 11011 1 1097 . 1 1 114 114 VAL HG13 H 1 0.649 0.01 . 1 . . . . 114 . HG1 . 11011 1 1098 . 1 1 114 114 VAL HG21 H 1 0.447 0.01 . 1 . . . . 114 . HG2 . 11011 1 1099 . 1 1 114 114 VAL HG22 H 1 0.447 0.01 . 1 . . . . 114 . HG2 . 11011 1 1100 . 1 1 114 114 VAL HG23 H 1 0.447 0.01 . 1 . . . . 114 . HG2 . 11011 1 1101 . 1 1 114 114 VAL CG1 C 13 16.655 0.2 . 1 . . . . 114 . CG1 . 11011 1 1102 . 1 1 114 114 VAL CG2 C 13 18.847 0.2 . 1 . . . . 114 . CG2 . 11011 1 1103 . 1 1 114 114 VAL CA C 13 57.499 0.2 . 1 . . . . 114 . CA . 11011 1 1104 . 1 1 115 115 THR N N 15 125.842 0.2 . 1 . . . . 115 . N . 11011 1 1105 . 1 1 115 115 THR H H 1 7.838 0.01 . 1 . . . . 115 . H . 11011 1 1106 . 1 1 115 115 THR CA C 13 58.617 0.2 . 1 . . . . 115 . CA . 11011 1 1107 . 1 1 115 115 THR HA H 1 5.081 0.01 . 1 . . . . 115 . HA . 11011 1 1108 . 1 1 115 115 THR CB C 13 66.759 0.2 . 1 . . . . 115 . CB . 11011 1 1109 . 1 1 115 115 THR HB H 1 3.873 0.01 . 1 . . . . 115 . HB . 11011 1 1110 . 1 1 115 115 THR HG21 H 1 0.945 0.01 . 1 . . . . 115 . HG2 . 11011 1 1111 . 1 1 115 115 THR HG22 H 1 0.945 0.01 . 1 . . . . 115 . HG2 . 11011 1 1112 . 1 1 115 115 THR HG23 H 1 0.945 0.01 . 1 . . . . 115 . HG2 . 11011 1 1113 . 1 1 115 115 THR CG2 C 13 18.847 0.2 . 1 . . . . 115 . CG2 . 11011 1 1114 . 1 1 116 116 VAL N N 15 127.120 0.2 . 1 . . . . 116 . N . 11011 1 1115 . 1 1 116 116 VAL H H 1 9.316 0.01 . 1 . . . . 116 . H . 11011 1 1116 . 1 1 116 116 VAL HA H 1 4.582 0.01 . 1 . . . . 116 . HA . 11011 1 1117 . 1 1 116 116 VAL CB C 13 31.373 0.2 . 1 . . . . 116 . CB . 11011 1 1118 . 1 1 116 116 VAL HB H 1 2.082 0.01 . 1 . . . . 116 . HB . 11011 1 1119 . 1 1 116 116 VAL HG11 H 1 0.988 0.01 . 1 . . . . 116 . HG1 . 11011 1 1120 . 1 1 116 116 VAL HG12 H 1 0.988 0.01 . 1 . . . . 116 . HG1 . 11011 1 1121 . 1 1 116 116 VAL HG13 H 1 0.988 0.01 . 1 . . . . 116 . HG1 . 11011 1 1122 . 1 1 116 116 VAL HG21 H 1 0.923 0.01 . 1 . . . . 116 . HG2 . 11011 1 1123 . 1 1 116 116 VAL HG22 H 1 0.923 0.01 . 1 . . . . 116 . HG2 . 11011 1 1124 . 1 1 116 116 VAL HG23 H 1 0.923 0.01 . 1 . . . . 116 . HG2 . 11011 1 1125 . 1 1 116 116 VAL CG1 C 13 20.412 0.2 . 1 . . . . 116 . CG1 . 11011 1 1126 . 1 1 116 116 VAL CG2 C 13 20.412 0.2 . 1 . . . . 116 . CG2 . 11011 1 1127 . 1 1 116 116 VAL CA C 13 58.352 0.2 . 1 . . . . 116 . CA . 11011 1 1128 . 1 1 117 117 GLU N N 15 128.795 0.2 . 1 . . . . 117 . N . 11011 1 1129 . 1 1 117 117 GLU H H 1 8.715 0.01 . 1 . . . . 117 . H . 11011 1 1130 . 1 1 117 117 GLU CA C 13 51.728 0.2 . 1 . . . . 117 . CA . 11011 1 1131 . 1 1 117 117 GLU HA H 1 5.466 0.01 . 1 . . . . 117 . HA . 11011 1 1132 . 1 1 117 117 GLU CB C 13 28.554 0.2 . 1 . . . . 117 . CB . 11011 1 1133 . 1 1 117 117 GLU HB2 H 1 1.960 0.01 . 1 . . . . 117 . HB2 . 11011 1 1134 . 1 1 117 117 GLU HB3 H 1 1.804 0.01 . 1 . . . . 117 . HB3 . 11011 1 1135 . 1 1 117 117 GLU CG C 13 33.252 0.2 . 1 . . . . 117 . CG . 11011 1 1136 . 1 1 117 117 GLU HG2 H 1 2.075 0.01 . 1 . . . . 117 . QG . 11011 1 1137 . 1 1 117 117 GLU HG3 H 1 2.075 0.01 . 1 . . . . 117 . QG . 11011 1 1138 . 1 1 118 118 TYR N N 15 124.311 0.2 . 1 . . . . 118 . N . 11011 1 1139 . 1 1 118 118 TYR H H 1 9.466 0.01 . 1 . . . . 118 . H . 11011 1 1140 . 1 1 118 118 TYR CA C 13 52.354 0.2 . 1 . . . . 118 . CA . 11011 1 1141 . 1 1 118 118 TYR HA H 1 5.449 0.01 . 1 . . . . 118 . HA . 11011 1 1142 . 1 1 118 118 TYR CB C 13 39.202 0.2 . 1 . . . . 118 . CB . 11011 1 1143 . 1 1 118 118 TYR HB2 H 1 2.721 0.01 . 1 . . . . 118 . HB2 . 11011 1 1144 . 1 1 118 118 TYR HB3 H 1 2.575 0.01 . 1 . . . . 118 . HB3 . 11011 1 1145 . 1 1 119 119 ASN N N 15 118.995 0.2 . 1 . . . . 119 . N . 11011 1 1146 . 1 1 119 119 ASN H H 1 8.727 0.01 . 1 . . . . 119 . H . 11011 1 1147 . 1 1 119 119 ASN HA H 1 4.967 0.01 . 1 . . . . 119 . HA . 11011 1 1148 . 1 1 119 119 ASN HB2 H 1 3.168 0.01 . 1 . . . . 119 . HB2 . 11011 1 1149 . 1 1 119 119 ASN HB3 H 1 3.092 0.01 . 1 . . . . 119 . HB3 . 11011 1 1150 . 1 1 119 119 ASN ND2 N 15 113.685 0.2 . 1 . . . . 119 . ND2 . 11011 1 1151 . 1 1 119 119 ASN HD21 H 1 8.092 0.01 . 1 . . . . 119 . HD21 . 11011 1 1152 . 1 1 119 119 ASN HD22 H 1 7.957 0.01 . 1 . . . . 119 . HD22 . 11011 1 1153 . 1 1 119 119 ASN CA C 13 46.806 0.2 . 1 . . . . 119 . CA . 11011 1 1154 . 1 1 119 119 ASN CB C 13 35.928 0.2 . 1 . . . . 119 . CB . 11011 1 1155 . 1 1 120 120 PRO CD C 13 48.596 0.2 . 1 . . . . 120 . CD . 11011 1 1156 . 1 1 120 120 PRO CA C 13 60.809 0.2 . 1 . . . . 120 . CA . 11011 1 1157 . 1 1 120 120 PRO HA H 1 5.233 0.01 . 1 . . . . 120 . HA . 11011 1 1158 . 1 1 120 120 PRO CB C 13 29.807 0.2 . 1 . . . . 120 . CB . 11011 1 1159 . 1 1 120 120 PRO HB2 H 1 2.164 0.01 . 1 . . . . 120 . HB2 . 11011 1 1160 . 1 1 120 120 PRO HB3 H 1 2.087 0.01 . 1 . . . . 120 . HB3 . 11011 1 1161 . 1 1 120 120 PRO CG C 13 24.170 0.2 . 1 . . . . 120 . CG . 11011 1 1162 . 1 1 120 120 PRO HG2 H 1 1.854 0.01 . 1 . . . . 120 . QG . 11011 1 1163 . 1 1 120 120 PRO HG3 H 1 1.854 0.01 . 1 . . . . 120 . QG . 11011 1 1164 . 1 1 120 120 PRO HD2 H 1 4.115 0.01 . 1 . . . . 120 . HD2 . 11011 1 1165 . 1 1 120 120 PRO HD3 H 1 3.744 0.01 . 1 . . . . 120 . HD3 . 11011 1 1166 . 1 1 121 121 LYS N N 15 116.202 0.2 . 1 . . . . 121 . N . 11011 1 1167 . 1 1 121 121 LYS H H 1 7.732 0.01 . 1 . . . . 121 . H . 11011 1 1168 . 1 1 121 121 LYS CA C 13 53.293 0.2 . 1 . . . . 121 . CA . 11011 1 1169 . 1 1 121 121 LYS HA H 1 4.239 0.01 . 1 . . . . 121 . HA . 11011 1 1170 . 1 1 121 121 LYS CB C 13 29.123 0.2 . 1 . . . . 121 . CB . 11011 1 1171 . 1 1 121 121 LYS HB2 H 1 1.901 0.01 . 1 . . . . 121 . HB2 . 11011 1 1172 . 1 1 121 121 LYS HB3 H 1 1.803 0.01 . 1 . . . . 121 . HB3 . 11011 1 1173 . 1 1 121 121 LYS CG C 13 22.605 0.2 . 1 . . . . 121 . CG . 11011 1 1174 . 1 1 121 121 LYS HG2 H 1 1.372 0.01 . 1 . . . . 121 . HG2 . 11011 1 1175 . 1 1 121 121 LYS HG3 H 1 1.301 0.01 . 1 . . . . 121 . HG3 . 11011 1 1176 . 1 1 121 121 LYS CD C 13 26.049 0.2 . 1 . . . . 121 . CD . 11011 1 1177 . 1 1 121 121 LYS HD2 H 1 1.575 0.01 . 1 . . . . 121 . HD2 . 11011 1 1178 . 1 1 121 121 LYS HD3 H 1 1.482 0.01 . 1 . . . . 121 . HD3 . 11011 1 1179 . 1 1 122 122 GLU N N 15 116.525 0.2 . 1 . . . . 122 . N . 11011 1 1180 . 1 1 122 122 GLU H H 1 7.648 0.01 . 1 . . . . 122 . H . 11011 1 1181 . 1 1 122 122 GLU CA C 13 53.734 0.2 . 1 . . . . 122 . CA . 11011 1 1182 . 1 1 122 122 GLU HA H 1 4.330 0.01 . 1 . . . . 122 . HA . 11011 1 1183 . 1 1 122 122 GLU CB C 13 30.257 0.2 . 1 . . . . 122 . CB . 11011 1 1184 . 1 1 122 122 GLU HB2 H 1 2.029 0.01 . 1 . . . . 122 . HB2 . 11011 1 1185 . 1 1 122 122 GLU HB3 H 1 1.715 0.01 . 1 . . . . 122 . HB3 . 11011 1 1186 . 1 1 122 122 GLU CG C 13 33.565 0.2 . 1 . . . . 122 . CG . 11011 1 1187 . 1 1 122 122 GLU HG2 H 1 2.212 0.01 . 1 . . . . 122 . HG2 . 11011 1 1188 . 1 1 122 122 GLU HG3 H 1 1.956 0.01 . 1 . . . . 122 . HG3 . 11011 1 1189 . 1 1 123 123 ALA N N 15 121.840 0.2 . 1 . . . . 123 . N . 11011 1 1190 . 1 1 123 123 ALA H H 1 8.045 0.01 . 1 . . . . 123 . H . 11011 1 1191 . 1 1 123 123 ALA CA C 13 48.283 0.2 . 1 . . . . 123 . CA . 11011 1 1192 . 1 1 123 123 ALA HA H 1 4.688 0.01 . 1 . . . . 123 . HA . 11011 1 1193 . 1 1 123 123 ALA CB C 13 18.847 0.2 . 1 . . . . 123 . CB . 11011 1 1194 . 1 1 124 124 SER N N 15 112.201 0.2 . 1 . . . . 124 . N . 11011 1 1195 . 1 1 124 124 SER H H 1 8.397 0.01 . 1 . . . . 124 . H . 11011 1 1196 . 1 1 124 124 SER CA C 13 52.667 0.2 . 1 . . . . 124 . CA . 11011 1 1197 . 1 1 124 124 SER HA H 1 4.933 0.01 . 1 . . . . 124 . HA . 11011 1 1198 . 1 1 124 124 SER CB C 13 64.880 0.2 . 1 . . . . 124 . CB . 11011 1 1199 . 1 1 124 124 SER HB2 H 1 4.079 0.01 . 1 . . . . 124 . HB2 . 11011 1 1200 . 1 1 124 124 SER HB3 H 1 3.803 0.01 . 1 . . . . 124 . HB3 . 11011 1 1201 . 1 1 125 125 VAL N N 15 120.226 0.2 . 1 . . . . 125 . N . 11011 1 1202 . 1 1 125 125 VAL H H 1 8.627 0.01 . 1 . . . . 125 . H . 11011 1 1203 . 1 1 125 125 VAL CA C 13 64.880 0.2 . 1 . . . . 125 . CA . 11011 1 1204 . 1 1 125 125 VAL HA H 1 3.307 0.01 . 1 . . . . 125 . HA . 11011 1 1205 . 1 1 125 125 VAL CB C 13 28.554 0.2 . 1 . . . . 125 . CB . 11011 1 1206 . 1 1 125 125 VAL HB H 1 2.024 0.01 . 1 . . . . 125 . HB . 11011 1 1207 . 1 1 125 125 VAL HG11 H 1 1.006 0.01 . 1 . . . . 125 . HG1 . 11011 1 1208 . 1 1 125 125 VAL HG12 H 1 1.006 0.01 . 1 . . . . 125 . HG1 . 11011 1 1209 . 1 1 125 125 VAL HG13 H 1 1.006 0.01 . 1 . . . . 125 . HG1 . 11011 1 1210 . 1 1 125 125 VAL HG21 H 1 0.971 0.01 . 1 . . . . 125 . HG2 . 11011 1 1211 . 1 1 125 125 VAL HG22 H 1 0.971 0.01 . 1 . . . . 125 . HG2 . 11011 1 1212 . 1 1 125 125 VAL HG23 H 1 0.971 0.01 . 1 . . . . 125 . HG2 . 11011 1 1213 . 1 1 125 125 VAL CG1 C 13 20.412 0.2 . 1 . . . . 125 . CG1 . 11011 1 1214 . 1 1 125 125 VAL CG2 C 13 18.847 0.2 . 1 . . . . 125 . CG2 . 11011 1 1215 . 1 1 126 126 SER N N 15 114.065 0.2 . 1 . . . . 126 . N . 11011 1 1216 . 1 1 126 126 SER H H 1 8.156 0.01 . 1 . . . . 126 . H . 11011 1 1217 . 1 1 126 126 SER CA C 13 59.557 0.2 . 1 . . . . 126 . CA . 11011 1 1218 . 1 1 126 126 SER HA H 1 3.948 0.01 . 1 . . . . 126 . HA . 11011 1 1219 . 1 1 126 126 SER CB C 13 59.557 0.2 . 1 . . . . 126 . CB . 11011 1 1220 . 1 1 126 126 SER HB2 H 1 3.747 0.01 . 1 . . . . 126 . QB . 11011 1 1221 . 1 1 126 126 SER HB3 H 1 3.747 0.01 . 1 . . . . 126 . QB . 11011 1 1222 . 1 1 127 127 ASP N N 15 121.741 0.2 . 1 . . . . 127 . N . 11011 1 1223 . 1 1 127 127 ASP H H 1 7.522 0.01 . 1 . . . . 127 . H . 11011 1 1224 . 1 1 127 127 ASP CA C 13 54.859 0.2 . 1 . . . . 127 . CA . 11011 1 1225 . 1 1 127 127 ASP HA H 1 4.185 0.01 . 1 . . . . 127 . HA . 11011 1 1226 . 1 1 127 127 ASP CB C 13 38.262 0.2 . 1 . . . . 127 . CB . 11011 1 1227 . 1 1 127 127 ASP HB2 H 1 2.889 0.01 . 1 . . . . 127 . HB2 . 11011 1 1228 . 1 1 127 127 ASP HB3 H 1 2.519 0.01 . 1 . . . . 127 . HB3 . 11011 1 1229 . 1 1 128 128 LEU N N 15 118.771 0.2 . 1 . . . . 128 . N . 11011 1 1230 . 1 1 128 128 LEU H H 1 7.332 0.01 . 1 . . . . 128 . H . 11011 1 1231 . 1 1 128 128 LEU CA C 13 54.859 0.2 . 1 . . . . 128 . CA . 11011 1 1232 . 1 1 128 128 LEU HA H 1 3.499 0.01 . 1 . . . . 128 . HA . 11011 1 1233 . 1 1 128 128 LEU CB C 13 37.636 0.2 . 1 . . . . 128 . CB . 11011 1 1234 . 1 1 128 128 LEU HB2 H 1 1.771 0.01 . 1 . . . . 128 . HB2 . 11011 1 1235 . 1 1 128 128 LEU HB3 H 1 0.639 0.01 . 1 . . . . 128 . HB3 . 11011 1 1236 . 1 1 128 128 LEU CG C 13 22.605 0.2 . 1 . . . . 128 . CG . 11011 1 1237 . 1 1 128 128 LEU HG H 1 0.315 0.01 . 1 . . . . 128 . HG . 11011 1 1238 . 1 1 128 128 LEU HD11 H 1 0.512 0.01 . 1 . . . . 128 . HD1 . 11011 1 1239 . 1 1 128 128 LEU HD12 H 1 0.512 0.01 . 1 . . . . 128 . HD1 . 11011 1 1240 . 1 1 128 128 LEU HD13 H 1 0.512 0.01 . 1 . . . . 128 . HD1 . 11011 1 1241 . 1 1 128 128 LEU HD21 H 1 0.369 0.01 . 1 . . . . 128 . HD2 . 11011 1 1242 . 1 1 128 128 LEU HD22 H 1 0.369 0.01 . 1 . . . . 128 . HD2 . 11011 1 1243 . 1 1 128 128 LEU HD23 H 1 0.369 0.01 . 1 . . . . 128 . HD2 . 11011 1 1244 . 1 1 128 128 LEU CD1 C 13 21.039 0.2 . 1 . . . . 128 . CD1 . 11011 1 1245 . 1 1 128 128 LEU CD2 C 13 20.099 0.2 . 1 . . . . 128 . CD2 . 11011 1 1246 . 1 1 129 129 LYS N N 15 115.404 0.2 . 1 . . . . 129 . N . 11011 1 1247 . 1 1 129 129 LYS H H 1 7.876 0.01 . 1 . . . . 129 . H . 11011 1 1248 . 1 1 129 129 LYS CA C 13 57.678 0.2 . 1 . . . . 129 . CA . 11011 1 1249 . 1 1 129 129 LYS HA H 1 3.487 0.01 . 1 . . . . 129 . HA . 11011 1 1250 . 1 1 129 129 LYS CB C 13 30.433 0.2 . 1 . . . . 129 . CB . 11011 1 1251 . 1 1 129 129 LYS HB2 H 1 1.898 0.01 . 1 . . . . 129 . HB2 . 11011 1 1252 . 1 1 129 129 LYS HB3 H 1 1.701 0.01 . 1 . . . . 129 . HB3 . 11011 1 1253 . 1 1 129 129 LYS CG C 13 22.918 0.2 . 1 . . . . 129 . CG . 11011 1 1254 . 1 1 129 129 LYS HG2 H 1 1.520 0.01 . 1 . . . . 129 . HG2 . 11011 1 1255 . 1 1 129 129 LYS HG3 H 1 1.209 0.01 . 1 . . . . 129 . HG3 . 11011 1 1256 . 1 1 129 129 LYS CD C 13 27.615 0.2 . 1 . . . . 129 . CD . 11011 1 1257 . 1 1 129 129 LYS HD2 H 1 1.659 0.01 . 1 . . . . 129 . QD . 11011 1 1258 . 1 1 129 129 LYS HD3 H 1 1.659 0.01 . 1 . . . . 129 . QD . 11011 1 1259 . 1 1 129 129 LYS CE C 13 38.888 0.2 . 1 . . . . 129 . CE . 11011 1 1260 . 1 1 129 129 LYS HE2 H 1 2.877 0.01 . 1 . . . . 129 . QE . 11011 1 1261 . 1 1 129 129 LYS HE3 H 1 2.877 0.01 . 1 . . . . 129 . QE . 11011 1 1262 . 1 1 130 130 GLU N N 15 119.205 0.2 . 1 . . . . 130 . N . 11011 1 1263 . 1 1 130 130 GLU H H 1 8.245 0.01 . 1 . . . . 130 . H . 11011 1 1264 . 1 1 130 130 GLU HA H 1 4.217 0.01 . 1 . . . . 130 . HA . 11011 1 1265 . 1 1 130 130 GLU CB C 13 26.676 0.2 . 1 . . . . 130 . CB . 11011 1 1266 . 1 1 130 130 GLU HB2 H 1 2.038 0.01 . 1 . . . . 130 . HB2 . 11011 1 1267 . 1 1 130 130 GLU HB3 H 1 1.880 0.01 . 1 . . . . 130 . HB3 . 11011 1 1268 . 1 1 130 130 GLU CG C 13 33.565 0.2 . 1 . . . . 130 . CG . 11011 1 1269 . 1 1 130 130 GLU HG2 H 1 2.315 0.01 . 1 . . . . 130 . HG2 . 11011 1 1270 . 1 1 130 130 GLU HG3 H 1 2.146 0.01 . 1 . . . . 130 . HG3 . 11011 1 1271 . 1 1 130 130 GLU CA C 13 56.576 0.2 . 1 . . . . 130 . CA . 11011 1 1272 . 1 1 131 131 ALA N N 15 118.981 0.2 . 1 . . . . 131 . N . 11011 1 1273 . 1 1 131 131 ALA H H 1 7.374 0.01 . 1 . . . . 131 . H . 11011 1 1274 . 1 1 131 131 ALA CA C 13 52.041 0.2 . 1 . . . . 131 . CA . 11011 1 1275 . 1 1 131 131 ALA HA H 1 3.941 0.01 . 1 . . . . 131 . HA . 11011 1 1276 . 1 1 131 131 ALA CB C 13 15.402 0.2 . 1 . . . . 131 . CB . 11011 1 1277 . 1 1 132 132 VAL N N 15 115.627 0.2 . 1 . . . . 132 . N . 11011 1 1278 . 1 1 132 132 VAL H H 1 7.144 0.01 . 1 . . . . 132 . H . 11011 1 1279 . 1 1 132 132 VAL CA C 13 63.628 0.2 . 1 . . . . 132 . CA . 11011 1 1280 . 1 1 132 132 VAL HA H 1 3.497 0.01 . 1 . . . . 132 . HA . 11011 1 1281 . 1 1 132 132 VAL CB C 13 29.181 0.2 . 1 . . . . 132 . CB . 11011 1 1282 . 1 1 132 132 VAL HB H 1 1.789 0.01 . 1 . . . . 132 . HB . 11011 1 1283 . 1 1 132 132 VAL HG11 H 1 0.757 0.01 . 1 . . . . 132 . HG1 . 11011 1 1284 . 1 1 132 132 VAL HG12 H 1 0.757 0.01 . 1 . . . . 132 . HG1 . 11011 1 1285 . 1 1 132 132 VAL HG13 H 1 0.757 0.01 . 1 . . . . 132 . HG1 . 11011 1 1286 . 1 1 132 132 VAL HG21 H 1 0.730 0.01 . 1 . . . . 132 . HG2 . 11011 1 1287 . 1 1 132 132 VAL HG22 H 1 0.730 0.01 . 1 . . . . 132 . HG2 . 11011 1 1288 . 1 1 132 132 VAL HG23 H 1 0.730 0.01 . 1 . . . . 132 . HG2 . 11011 1 1289 . 1 1 132 132 VAL CG1 C 13 21.978 0.2 . 1 . . . . 132 . CG1 . 11011 1 1290 . 1 1 132 132 VAL CG2 C 13 20.412 0.2 . 1 . . . . 132 . CG2 . 11011 1 1291 . 1 1 133 133 ASP N N 15 123.939 0.2 . 1 . . . . 133 . N . 11011 1 1292 . 1 1 133 133 ASP H H 1 8.399 0.01 . 1 . . . . 133 . H . 11011 1 1293 . 1 1 133 133 ASP CA C 13 54.233 0.2 . 1 . . . . 133 . CA . 11011 1 1294 . 1 1 133 133 ASP HA H 1 4.876 0.01 . 1 . . . . 133 . HA . 11011 1 1295 . 1 1 133 133 ASP CB C 13 38.888 0.2 . 1 . . . . 133 . CB . 11011 1 1296 . 1 1 133 133 ASP HB2 H 1 2.779 0.01 . 1 . . . . 133 . HB2 . 11011 1 1297 . 1 1 133 133 ASP HB3 H 1 2.657 0.01 . 1 . . . . 133 . HB3 . 11011 1 1298 . 1 1 134 134 LYS N N 15 116.883 0.2 . 1 . . . . 134 . N . 11011 1 1299 . 1 1 134 134 LYS H H 1 7.560 0.01 . 1 . . . . 134 . H . 11011 1 1300 . 1 1 134 134 LYS HA H 1 3.958 0.01 . 1 . . . . 134 . HA . 11011 1 1301 . 1 1 134 134 LYS CB C 13 29.494 0.2 . 1 . . . . 134 . CB . 11011 1 1302 . 1 1 134 134 LYS HB2 H 1 1.952 0.01 . 1 . . . . 134 . HB2 . 11011 1 1303 . 1 1 134 134 LYS HB3 H 1 1.792 0.01 . 1 . . . . 134 . HB3 . 11011 1 1304 . 1 1 134 134 LYS CG C 13 22.918 0.2 . 1 . . . . 134 . CG . 11011 1 1305 . 1 1 134 134 LYS HG2 H 1 1.448 0.01 . 1 . . . . 134 . QG . 11011 1 1306 . 1 1 134 134 LYS HG3 H 1 1.448 0.01 . 1 . . . . 134 . QG . 11011 1 1307 . 1 1 134 134 LYS HD2 H 1 1.575 0.01 . 1 . . . . 134 . QD . 11011 1 1308 . 1 1 134 134 LYS HD3 H 1 1.575 0.01 . 1 . . . . 134 . QD . 11011 1 1309 . 1 1 134 134 LYS CA C 13 55.616 0.2 . 1 . . . . 134 . CA . 11011 1 1310 . 1 1 135 135 LEU N N 15 117.114 0.2 . 1 . . . . 135 . N . 11011 1 1311 . 1 1 135 135 LEU H H 1 7.344 0.01 . 1 . . . . 135 . H . 11011 1 1312 . 1 1 135 135 LEU HA H 1 4.164 0.01 . 1 . . . . 135 . HA . 11011 1 1313 . 1 1 135 135 LEU CB C 13 41.081 0.2 . 1 . . . . 135 . CB . 11011 1 1314 . 1 1 135 135 LEU HB2 H 1 2.041 0.01 . 1 . . . . 135 . HB2 . 11011 1 1315 . 1 1 135 135 LEU HB3 H 1 1.753 0.01 . 1 . . . . 135 . HB3 . 11011 1 1316 . 1 1 135 135 LEU CG C 13 23.231 0.2 . 1 . . . . 135 . CG . 11011 1 1317 . 1 1 135 135 LEU HG H 1 0.836 0.01 . 1 . . . . 135 . HG . 11011 1 1318 . 1 1 135 135 LEU HD11 H 1 0.785 0.01 . 1 . . . . 135 . HD1 . 11011 1 1319 . 1 1 135 135 LEU HD12 H 1 0.785 0.01 . 1 . . . . 135 . HD1 . 11011 1 1320 . 1 1 135 135 LEU HD13 H 1 0.785 0.01 . 1 . . . . 135 . HD1 . 11011 1 1321 . 1 1 135 135 LEU HD21 H 1 0.739 0.01 . 1 . . . . 135 . HD2 . 11011 1 1322 . 1 1 135 135 LEU HD22 H 1 0.739 0.01 . 1 . . . . 135 . HD2 . 11011 1 1323 . 1 1 135 135 LEU HD23 H 1 0.739 0.01 . 1 . . . . 135 . HD2 . 11011 1 1324 . 1 1 135 135 LEU CD1 C 13 20.726 0.2 . 1 . . . . 135 . CD1 . 11011 1 1325 . 1 1 135 135 LEU CA C 13 52.277 0.2 . 1 . . . . 135 . CA . 11011 1 1326 . 1 1 136 136 GLY N N 15 103.376 0.2 . 1 . . . . 136 . N . 11011 1 1327 . 1 1 136 136 GLY H H 1 7.611 0.01 . 1 . . . . 136 . H . 11011 1 1328 . 1 1 136 136 GLY CA C 13 41.707 0.2 . 1 . . . . 136 . CA . 11011 1 1329 . 1 1 136 136 GLY HA3 H 1 3.881 0.01 . 1 . . . . 136 . HA3 . 11011 1 1330 . 1 1 136 136 GLY HA2 H 1 3.504 0.01 . 1 . . . . 136 . HA2 . 11011 1 1331 . 1 1 137 137 TYR N N 15 118.781 0.2 . 1 . . . . 137 . N . 11011 1 1332 . 1 1 137 137 TYR H H 1 6.975 0.01 . 1 . . . . 137 . H . 11011 1 1333 . 1 1 137 137 TYR CA C 13 52.667 0.2 . 1 . . . . 137 . CA . 11011 1 1334 . 1 1 137 137 TYR HA H 1 4.892 0.01 . 1 . . . . 137 . HA . 11011 1 1335 . 1 1 137 137 TYR CB C 13 37.323 0.2 . 1 . . . . 137 . CB . 11011 1 1336 . 1 1 137 137 TYR HB2 H 1 3.089 0.01 . 1 . . . . 137 . HB2 . 11011 1 1337 . 1 1 137 137 TYR HB3 H 1 2.125 0.01 . 1 . . . . 137 . HB3 . 11011 1 1338 . 1 1 138 138 LYS N N 15 117.089 0.2 . 1 . . . . 138 . N . 11011 1 1339 . 1 1 138 138 LYS H H 1 8.025 0.01 . 1 . . . . 138 . H . 11011 1 1340 . 1 1 138 138 LYS HA H 1 4.731 0.01 . 1 . . . . 138 . HA . 11011 1 1341 . 1 1 138 138 LYS CB C 13 33.565 0.2 . 1 . . . . 138 . CB . 11011 1 1342 . 1 1 138 138 LYS HB2 H 1 1.601 0.01 . 1 . . . . 138 . HB2 . 11011 1 1343 . 1 1 138 138 LYS HB3 H 1 1.542 0.01 . 1 . . . . 138 . HB3 . 11011 1 1344 . 1 1 138 138 LYS CG C 13 21.978 0.2 . 1 . . . . 138 . CG . 11011 1 1345 . 1 1 138 138 LYS HG2 H 1 1.259 0.01 . 1 . . . . 138 . HG2 . 11011 1 1346 . 1 1 138 138 LYS HG3 H 1 1.125 0.01 . 1 . . . . 138 . HG3 . 11011 1 1347 . 1 1 138 138 LYS CD C 13 26.676 0.2 . 1 . . . . 138 . CD . 11011 1 1348 . 1 1 138 138 LYS HD2 H 1 1.567 0.01 . 1 . . . . 138 . HD2 . 11011 1 1349 . 1 1 138 138 LYS HD3 H 1 1.484 0.01 . 1 . . . . 138 . HD3 . 11011 1 1350 . 1 1 138 138 LYS CE C 13 39.515 0.2 . 1 . . . . 138 . CE . 11011 1 1351 . 1 1 138 138 LYS HE2 H 1 3.102 0.01 . 1 . . . . 138 . QE . 11011 1 1352 . 1 1 138 138 LYS HE3 H 1 3.102 0.01 . 1 . . . . 138 . QE . 11011 1 1353 . 1 1 138 138 LYS CA C 13 52.312 0.2 . 1 . . . . 138 . CA . 11011 1 1354 . 1 1 139 139 LEU N N 15 123.810 0.2 . 1 . . . . 139 . N . 11011 1 1355 . 1 1 139 139 LEU H H 1 8.816 0.01 . 1 . . . . 139 . H . 11011 1 1356 . 1 1 139 139 LEU CA C 13 50.475 0.2 . 1 . . . . 139 . CA . 11011 1 1357 . 1 1 139 139 LEU HA H 1 4.884 0.01 . 1 . . . . 139 . HA . 11011 1 1358 . 1 1 139 139 LEU CB C 13 40.767 0.2 . 1 . . . . 139 . CB . 11011 1 1359 . 1 1 139 139 LEU HB2 H 1 1.158 0.01 . 1 . . . . 139 . HB2 . 11011 1 1360 . 1 1 139 139 LEU HB3 H 1 1.056 0.01 . 1 . . . . 139 . HB3 . 11011 1 1361 . 1 1 139 139 LEU CG C 13 22.918 0.2 . 1 . . . . 139 . CG . 11011 1 1362 . 1 1 139 139 LEU HG H 1 1.106 0.01 . 1 . . . . 139 . HG . 11011 1 1363 . 1 1 139 139 LEU HD11 H 1 0.077 0.01 . 1 . . . . 139 . HD1 . 11011 1 1364 . 1 1 139 139 LEU HD12 H 1 0.077 0.01 . 1 . . . . 139 . HD1 . 11011 1 1365 . 1 1 139 139 LEU HD13 H 1 0.077 0.01 . 1 . . . . 139 . HD1 . 11011 1 1366 . 1 1 139 139 LEU CD1 C 13 21.039 0.2 . 1 . . . . 139 . CD1 . 11011 1 1367 . 1 1 139 139 LEU CD2 C 13 21.039 0.2 . 1 . . . . 139 . CD2 . 11011 1 1368 . 1 1 140 140 LYS N N 15 122.512 0.2 . 1 . . . . 140 . N . 11011 1 1369 . 1 1 140 140 LYS H H 1 8.913 0.01 . 1 . . . . 140 . H . 11011 1 1370 . 1 1 140 140 LYS HA H 1 4.597 0.01 . 1 . . . . 140 . HA . 11011 1 1371 . 1 1 140 140 LYS CB C 13 31.999 0.2 . 1 . . . . 140 . CB . 11011 1 1372 . 1 1 140 140 LYS HB2 H 1 1.739 0.01 . 1 . . . . 140 . HB2 . 11011 1 1373 . 1 1 140 140 LYS HB3 H 1 1.603 0.01 . 1 . . . . 140 . HB3 . 11011 1 1374 . 1 1 140 140 LYS CG C 13 21.352 0.2 . 1 . . . . 140 . CG . 11011 1 1375 . 1 1 140 140 LYS HG2 H 1 1.217 0.01 . 1 . . . . 140 . HG2 . 11011 1 1376 . 1 1 140 140 LYS HG3 H 1 1.059 0.01 . 1 . . . . 140 . HG3 . 11011 1 1377 . 1 1 140 140 LYS CD C 13 26.362 0.2 . 1 . . . . 140 . CD . 11011 1 1378 . 1 1 140 140 LYS HD2 H 1 1.542 0.01 . 1 . . . . 140 . QD . 11011 1 1379 . 1 1 140 140 LYS HD3 H 1 1.542 0.01 . 1 . . . . 140 . QD . 11011 1 1380 . 1 1 140 140 LYS HE2 H 1 2.775 0.01 . 1 . . . . 140 . QE . 11011 1 1381 . 1 1 140 140 LYS HE3 H 1 2.775 0.01 . 1 . . . . 140 . QE . 11011 1 1382 . 1 1 140 140 LYS CA C 13 52.064 0.2 . 1 . . . . 140 . CA . 11011 1 1383 . 1 1 141 141 LEU N N 15 128.362 0.2 . 1 . . . . 141 . N . 11011 1 1384 . 1 1 141 141 LEU H H 1 9.010 0.01 . 1 . . . . 141 . H . 11011 1 1385 . 1 1 141 141 LEU CA C 13 52.980 0.2 . 1 . . . . 141 . CA . 11011 1 1386 . 1 1 141 141 LEU HA H 1 3.961 0.01 . 1 . . . . 141 . HA . 11011 1 1387 . 1 1 141 141 LEU CB C 13 39.828 0.2 . 1 . . . . 141 . CB . 11011 1 1388 . 1 1 141 141 LEU HB2 H 1 1.584 0.01 . 1 . . . . 141 . HB2 . 11011 1 1389 . 1 1 141 141 LEU HB3 H 1 1.261 0.01 . 1 . . . . 141 . HB3 . 11011 1 1390 . 1 1 141 141 LEU CG C 13 24.483 0.2 . 1 . . . . 141 . CG . 11011 1 1391 . 1 1 141 141 LEU HG H 1 1.422 0.01 . 1 . . . . 141 . HG . 11011 1 1392 . 1 1 141 141 LEU HD11 H 1 0.563 0.01 . 1 . . . . 141 . HD1 . 11011 1 1393 . 1 1 141 141 LEU HD12 H 1 0.563 0.01 . 1 . . . . 141 . HD1 . 11011 1 1394 . 1 1 141 141 LEU HD13 H 1 0.563 0.01 . 1 . . . . 141 . HD1 . 11011 1 1395 . 1 1 141 141 LEU HD21 H 1 0.514 0.01 . 1 . . . . 141 . HD2 . 11011 1 1396 . 1 1 141 141 LEU HD22 H 1 0.514 0.01 . 1 . . . . 141 . HD2 . 11011 1 1397 . 1 1 141 141 LEU HD23 H 1 0.514 0.01 . 1 . . . . 141 . HD2 . 11011 1 1398 . 1 1 141 141 LEU CD1 C 13 22.918 0.2 . 1 . . . . 141 . CD1 . 11011 1 1399 . 1 1 141 141 LEU CD2 C 13 21.665 0.2 . 1 . . . . 141 . CD2 . 11011 1 1400 . 1 1 142 142 LYS N N 15 126.697 0.2 . 1 . . . . 142 . N . 11011 1 1401 . 1 1 142 142 LYS H H 1 8.435 0.01 . 1 . . . . 142 . H . 11011 1 1402 . 1 1 142 142 LYS CA C 13 54.859 0.2 . 1 . . . . 142 . CA . 11011 1 1403 . 1 1 142 142 LYS HA H 1 3.989 0.01 . 1 . . . . 142 . HA . 11011 1 1404 . 1 1 142 142 LYS CB C 13 29.494 0.2 . 1 . . . . 142 . CB . 11011 1 1405 . 1 1 142 142 LYS HB2 H 1 1.587 0.01 . 1 . . . . 142 . HB2 . 11011 1 1406 . 1 1 142 142 LYS HB3 H 1 1.463 0.01 . 1 . . . . 142 . HB3 . 11011 1 1407 . 1 1 142 142 LYS HG2 H 1 1.225 0.01 . 1 . . . . 142 . QG . 11011 1 1408 . 1 1 142 142 LYS HG3 H 1 1.225 0.01 . 1 . . . . 142 . QG . 11011 1 1409 . 1 1 142 142 LYS CD C 13 26.362 0.2 . 1 . . . . 142 . CD . 11011 1 1410 . 1 1 142 142 LYS HD2 H 1 1.426 0.01 . 1 . . . . 142 . QD . 11011 1 1411 . 1 1 142 142 LYS HD3 H 1 1.426 0.01 . 1 . . . . 142 . QD . 11011 1 1412 . 1 1 142 142 LYS CE C 13 38.888 0.2 . 1 . . . . 142 . CE . 11011 1 1413 . 1 1 142 142 LYS HE2 H 1 2.768 0.01 . 1 . . . . 142 . QE . 11011 1 1414 . 1 1 142 142 LYS HE3 H 1 2.768 0.01 . 1 . . . . 142 . QE . 11011 1 1415 . 1 1 143 143 GLY N N 15 111.521 0.2 . 1 . . . . 143 . N . 11011 1 1416 . 1 1 143 143 GLY H H 1 8.587 0.01 . 1 . . . . 143 . H . 11011 1 1417 . 1 1 143 143 GLY CA C 13 42.959 0.2 . 1 . . . . 143 . CA . 11011 1 1418 . 1 1 143 143 GLY HA3 H 1 3.966 0.01 . 1 . . . . 143 . HA3 . 11011 1 1419 . 1 1 143 143 GLY HA2 H 1 3.725 0.01 . 1 . . . . 143 . HA2 . 11011 1 1420 . 1 1 144 144 GLU N N 15 120.477 0.2 . 1 . . . . 144 . N . 11011 1 1421 . 1 1 144 144 GLU H H 1 7.892 0.01 . 1 . . . . 144 . H . 11011 1 1422 . 1 1 144 144 GLU CA C 13 54.233 0.2 . 1 . . . . 144 . CA . 11011 1 1423 . 1 1 144 144 GLU HA H 1 4.158 0.01 . 1 . . . . 144 . HA . 11011 1 1424 . 1 1 144 144 GLU CB C 13 27.615 0.2 . 1 . . . . 144 . CB . 11011 1 1425 . 1 1 144 144 GLU HB2 H 1 1.902 0.01 . 1 . . . . 144 . QB . 11011 1 1426 . 1 1 144 144 GLU HB3 H 1 1.902 0.01 . 1 . . . . 144 . QB . 11011 1 1427 . 1 1 144 144 GLU CG C 13 33.878 0.2 . 1 . . . . 144 . CG . 11011 1 1428 . 1 1 144 144 GLU HG2 H 1 2.142 0.01 . 1 . . . . 144 . QG . 11011 1 1429 . 1 1 144 144 GLU HG3 H 1 2.142 0.01 . 1 . . . . 144 . QG . 11011 1 1430 . 1 1 145 145 GLN N N 15 121.467 0.2 . 1 . . . . 145 . N . 11011 1 1431 . 1 1 145 145 GLN H H 1 8.473 0.01 . 1 . . . . 145 . H . 11011 1 1432 . 1 1 145 145 GLN CA C 13 52.980 0.2 . 1 . . . . 145 . CA . 11011 1 1433 . 1 1 145 145 GLN HA H 1 4.262 0.01 . 1 . . . . 145 . HA . 11011 1 1434 . 1 1 145 145 GLN CB C 13 26.676 0.2 . 1 . . . . 145 . CB . 11011 1 1435 . 1 1 145 145 GLN HB2 H 1 2.025 0.01 . 1 . . . . 145 . HB2 . 11011 1 1436 . 1 1 145 145 GLN HB3 H 1 1.894 0.01 . 1 . . . . 145 . HB3 . 11011 1 1437 . 1 1 145 145 GLN CG C 13 30.747 0.2 . 1 . . . . 145 . CG . 11011 1 1438 . 1 1 145 145 GLN HG2 H 1 2.280 0.01 . 1 . . . . 145 . QG . 11011 1 1439 . 1 1 145 145 GLN HG3 H 1 2.280 0.01 . 1 . . . . 145 . QG . 11011 1 1440 . 1 1 145 145 GLN NE2 N 15 112.292 0.2 . 1 . . . . 145 . NE2 . 11011 1 1441 . 1 1 145 145 GLN HE21 H 1 7.477 0.01 . 1 . . . . 145 . HE21 . 11011 1 1442 . 1 1 145 145 GLN HE22 H 1 6.749 0.01 . 1 . . . . 145 . HE22 . 11011 1 1443 . 1 1 146 146 ASP N N 15 122.234 0.2 . 1 . . . . 146 . N . 11011 1 1444 . 1 1 146 146 ASP H H 1 8.335 0.01 . 1 . . . . 146 . H . 11011 1 1445 . 1 1 146 146 ASP CA C 13 51.744 0.2 . 1 . . . . 146 . CA . 11011 1 1446 . 1 1 146 146 ASP HA H 1 4.688 0.01 . 1 . . . . 146 . HA . 11011 1 1447 . 1 1 146 146 ASP CB C 13 38.262 0.2 . 1 . . . . 146 . CB . 11011 1 1448 . 1 1 146 146 ASP HB2 H 1 2.615 0.01 . 1 . . . . 146 . HB2 . 11011 1 1449 . 1 1 146 146 ASP HB3 H 1 2.499 0.01 . 1 . . . . 146 . HB3 . 11011 1 1450 . 1 1 147 147 SER N N 15 121.018 0.2 . 1 . . . . 147 . N . 11011 1 1451 . 1 1 147 147 SER H H 1 7.812 0.01 . 1 . . . . 147 . H . 11011 1 1452 . 1 1 147 147 SER HA H 1 4.128 0.01 . 1 . . . . 147 . HA . 11011 1 1453 . 1 1 147 147 SER CB C 13 62.110 0.2 . 1 . . . . 147 . CB . 11011 1 1454 . 1 1 147 147 SER HB2 H 1 3.723 0.01 . 1 . . . . 147 . QB . 11011 1 1455 . 1 1 147 147 SER HB3 H 1 3.723 0.01 . 1 . . . . 147 . QB . 11011 1 1456 . 1 1 147 147 SER CA C 13 57.195 0.2 . 1 . . . . 147 . CA . 11011 1 stop_ save_