data_11516 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11516 _Entry.Title ; THE SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN ACTIVATOR OF 90 KDA HEAT SHOCK PROTEIN ATPASE HOMOLOG 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-19 _Entry.Accession_date 2012-11-22 _Entry.Last_release_date 2012-12-10 _Entry.Original_release_date 2012-12-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Naoya Tochio . . . 11516 2 Seizo Koshiba . . . 11516 3 Makoto Inoue . . . 11516 4 Takanori Kigawa . . . 11516 5 Shigeyuki Yokoyama . . . 11516 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11516 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 639 11516 '15N chemical shifts' 138 11516 '1H chemical shifts' 957 11516 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 . . 2012-12-10 2012-11-19 original author . 11516 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11516 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'THE SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN ACTIVATOR OF 90 KDA HEAT SHOCK PROTEIN ATPASE HOMOLOG 1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Naoya Tochio . . . 11516 1 2 Seizo Koshiba . . . 11516 1 3 Takanori Kigawa . . . 11516 1 4 Shigeyuki Yokoyama . . . 11516 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11516 _Assembly.ID 1 _Assembly.Name 'AHA1 C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'AHA1 C-terminal domain' 1 $protein A . yes native no no . . . 11516 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 1x53 . . 'solution NMR' . . . 11516 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 11516 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGIPTCKITLKETFL TSPEELYRVFTTQELVQAFT HAPATLEADRGGKFHMVDGN VSGEFTDLVPEKHIVMKWRF KSWPEGHFATITLTFIDKNG ETELCMEGRGIPAPEEERTR QGWQRYYFEGIKQTFGYGAS GPSSG ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1X53 . "The Solution Structure Of The C-Terminal Domain Of Human Activator Of 90 Kda Heat Shock Protein Atpase Homolog 1" . . . . . 100.00 145 100.00 100.00 1.65e-101 . . . . 11516 1 2 no DBJ BAC36160 . "unnamed protein product [Mus musculus]" . . . . . 91.03 338 97.73 98.48 8.11e-90 . . . . 11516 1 3 no DBJ BAE38913 . "unnamed protein product [Mus musculus]" . . . . . 91.03 338 97.73 98.48 1.61e-89 . . . . 11516 1 4 no DBJ BAG36559 . "unnamed protein product [Homo sapiens]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 5 no DBJ BAG62431 . "unnamed protein product [Homo sapiens]" . . . . . 54.48 288 100.00 100.00 2.36e-48 . . . . 11516 1 6 no EMBL CAB45684 . "C14orf3 protein [Homo sapiens]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 7 no EMBL CAH92050 . "hypothetical protein [Pongo abelii]" . . . . . 91.03 338 100.00 100.00 2.23e-91 . . . . 11516 1 8 no GB AAD09623 . "unknown [Homo sapiens]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 9 no GB AAF29000 . "HSPC322 [Homo sapiens]" . . . . . 91.03 272 100.00 100.00 5.13e-92 . . . . 11516 1 10 no GB AAF80755 . "putative 38.3kDa protein [Homo sapiens]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 11 no GB AAH00321 . "AHA1, activator of heat shock 90kDa protein ATPase homolog 1 (yeast) [Homo sapiens]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 12 no GB AAH07398 . "AHSA1 protein, partial [Homo sapiens]" . . . . . 91.03 262 100.00 100.00 4.32e-92 . . . . 11516 1 13 no REF NP_001108506 . "activator of 90 kDa heat shock protein ATPase homolog 1 [Rattus norvegicus]" . . . . . 91.03 338 97.73 98.48 1.77e-89 . . . . 11516 1 14 no REF NP_001127499 . "activator of 90 kDa heat shock protein ATPase homolog 1 [Pongo abelii]" . . . . . 91.03 338 100.00 100.00 2.23e-91 . . . . 11516 1 15 no REF NP_001253813 . "activator of 90 kDa heat shock protein ATPase homolog 1 [Macaca mulatta]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 16 no REF NP_036243 . "activator of 90 kDa heat shock protein ATPase homolog 1 [Homo sapiens]" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 17 no REF NP_666148 . "activator of 90 kDa heat shock protein ATPase homolog 1 [Mus musculus]" . . . . . 91.03 338 97.73 98.48 1.28e-89 . . . . 11516 1 18 no SP O95433 . "RecName: Full=Activator of 90 kDa heat shock protein ATPase homolog 1; Short=AHA1; AltName: Full=p38" . . . . . 91.03 338 100.00 100.00 2.16e-91 . . . . 11516 1 19 no SP Q8BK64 . "RecName: Full=Activator of 90 kDa heat shock protein ATPase homolog 1; Short=AHA1" . . . . . 91.03 338 97.73 98.48 1.28e-89 . . . . 11516 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 . GLY . 11516 1 2 . SER . 11516 1 3 . SER . 11516 1 4 . GLY . 11516 1 5 . SER . 11516 1 6 . SER . 11516 1 7 . GLY . 11516 1 8 . ILE . 11516 1 9 . PRO . 11516 1 10 . THR . 11516 1 11 . CYS . 11516 1 12 . LYS . 11516 1 13 . ILE . 11516 1 14 . THR . 11516 1 15 . LEU . 11516 1 16 . LYS . 11516 1 17 . GLU . 11516 1 18 . THR . 11516 1 19 . PHE . 11516 1 20 . LEU . 11516 1 21 . THR . 11516 1 22 . SER . 11516 1 23 . PRO . 11516 1 24 . GLU . 11516 1 25 . GLU . 11516 1 26 . LEU . 11516 1 27 . TYR . 11516 1 28 . ARG . 11516 1 29 . VAL . 11516 1 30 . PHE . 11516 1 31 . THR . 11516 1 32 . THR . 11516 1 33 . GLN . 11516 1 34 . GLU . 11516 1 35 . LEU . 11516 1 36 . VAL . 11516 1 37 . GLN . 11516 1 38 . ALA . 11516 1 39 . PHE . 11516 1 40 . THR . 11516 1 41 . HIS . 11516 1 42 . ALA . 11516 1 43 . PRO . 11516 1 44 . ALA . 11516 1 45 . THR . 11516 1 46 . LEU . 11516 1 47 . GLU . 11516 1 48 . ALA . 11516 1 49 . ASP . 11516 1 50 . ARG . 11516 1 51 . GLY . 11516 1 52 . GLY . 11516 1 53 . LYS . 11516 1 54 . PHE . 11516 1 55 . HIS . 11516 1 56 . MET . 11516 1 57 . VAL . 11516 1 58 . ASP . 11516 1 59 . GLY . 11516 1 60 . ASN . 11516 1 61 . VAL . 11516 1 62 . SER . 11516 1 63 . GLY . 11516 1 64 . GLU . 11516 1 65 . PHE . 11516 1 66 . THR . 11516 1 67 . ASP . 11516 1 68 . LEU . 11516 1 69 . VAL . 11516 1 70 . PRO . 11516 1 71 . GLU . 11516 1 72 . LYS . 11516 1 73 . HIS . 11516 1 74 . ILE . 11516 1 75 . VAL . 11516 1 76 . MET . 11516 1 77 . LYS . 11516 1 78 . TRP . 11516 1 79 . ARG . 11516 1 80 . PHE . 11516 1 81 . LYS . 11516 1 82 . SER . 11516 1 83 . TRP . 11516 1 84 . PRO . 11516 1 85 . GLU . 11516 1 86 . GLY . 11516 1 87 . HIS . 11516 1 88 . PHE . 11516 1 89 . ALA . 11516 1 90 . THR . 11516 1 91 . ILE . 11516 1 92 . THR . 11516 1 93 . LEU . 11516 1 94 . THR . 11516 1 95 . PHE . 11516 1 96 . ILE . 11516 1 97 . ASP . 11516 1 98 . LYS . 11516 1 99 . ASN . 11516 1 100 . GLY . 11516 1 101 . GLU . 11516 1 102 . THR . 11516 1 103 . GLU . 11516 1 104 . LEU . 11516 1 105 . CYS . 11516 1 106 . MET . 11516 1 107 . GLU . 11516 1 108 . GLY . 11516 1 109 . ARG . 11516 1 110 . GLY . 11516 1 111 . ILE . 11516 1 112 . PRO . 11516 1 113 . ALA . 11516 1 114 . PRO . 11516 1 115 . GLU . 11516 1 116 . GLU . 11516 1 117 . GLU . 11516 1 118 . ARG . 11516 1 119 . THR . 11516 1 120 . ARG . 11516 1 121 . GLN . 11516 1 122 . GLY . 11516 1 123 . TRP . 11516 1 124 . GLN . 11516 1 125 . ARG . 11516 1 126 . TYR . 11516 1 127 . TYR . 11516 1 128 . PHE . 11516 1 129 . GLU . 11516 1 130 . GLY . 11516 1 131 . ILE . 11516 1 132 . LYS . 11516 1 133 . GLN . 11516 1 134 . THR . 11516 1 135 . PHE . 11516 1 136 . GLY . 11516 1 137 . TYR . 11516 1 138 . GLY . 11516 1 139 . ALA . 11516 1 140 . SER . 11516 1 141 . GLY . 11516 1 142 . PRO . 11516 1 143 . SER . 11516 1 144 . SER . 11516 1 145 . GLY . 11516 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 . GLY 1 1 11516 1 . SER 2 2 11516 1 . SER 3 3 11516 1 . GLY 4 4 11516 1 . SER 5 5 11516 1 . SER 6 6 11516 1 . GLY 7 7 11516 1 . ILE 8 8 11516 1 . PRO 9 9 11516 1 . THR 10 10 11516 1 . CYS 11 11 11516 1 . LYS 12 12 11516 1 . ILE 13 13 11516 1 . THR 14 14 11516 1 . LEU 15 15 11516 1 . LYS 16 16 11516 1 . GLU 17 17 11516 1 . THR 18 18 11516 1 . PHE 19 19 11516 1 . LEU 20 20 11516 1 . THR 21 21 11516 1 . SER 22 22 11516 1 . PRO 23 23 11516 1 . GLU 24 24 11516 1 . GLU 25 25 11516 1 . LEU 26 26 11516 1 . TYR 27 27 11516 1 . ARG 28 28 11516 1 . VAL 29 29 11516 1 . PHE 30 30 11516 1 . THR 31 31 11516 1 . THR 32 32 11516 1 . GLN 33 33 11516 1 . GLU 34 34 11516 1 . LEU 35 35 11516 1 . VAL 36 36 11516 1 . GLN 37 37 11516 1 . ALA 38 38 11516 1 . PHE 39 39 11516 1 . THR 40 40 11516 1 . HIS 41 41 11516 1 . ALA 42 42 11516 1 . PRO 43 43 11516 1 . ALA 44 44 11516 1 . THR 45 45 11516 1 . LEU 46 46 11516 1 . GLU 47 47 11516 1 . ALA 48 48 11516 1 . ASP 49 49 11516 1 . ARG 50 50 11516 1 . GLY 51 51 11516 1 . GLY 52 52 11516 1 . LYS 53 53 11516 1 . PHE 54 54 11516 1 . HIS 55 55 11516 1 . MET 56 56 11516 1 . VAL 57 57 11516 1 . ASP 58 58 11516 1 . GLY 59 59 11516 1 . ASN 60 60 11516 1 . VAL 61 61 11516 1 . SER 62 62 11516 1 . GLY 63 63 11516 1 . GLU 64 64 11516 1 . PHE 65 65 11516 1 . THR 66 66 11516 1 . ASP 67 67 11516 1 . LEU 68 68 11516 1 . VAL 69 69 11516 1 . PRO 70 70 11516 1 . GLU 71 71 11516 1 . LYS 72 72 11516 1 . HIS 73 73 11516 1 . ILE 74 74 11516 1 . VAL 75 75 11516 1 . MET 76 76 11516 1 . LYS 77 77 11516 1 . TRP 78 78 11516 1 . ARG 79 79 11516 1 . PHE 80 80 11516 1 . LYS 81 81 11516 1 . SER 82 82 11516 1 . TRP 83 83 11516 1 . PRO 84 84 11516 1 . GLU 85 85 11516 1 . GLY 86 86 11516 1 . HIS 87 87 11516 1 . PHE 88 88 11516 1 . ALA 89 89 11516 1 . THR 90 90 11516 1 . ILE 91 91 11516 1 . THR 92 92 11516 1 . LEU 93 93 11516 1 . THR 94 94 11516 1 . PHE 95 95 11516 1 . ILE 96 96 11516 1 . ASP 97 97 11516 1 . LYS 98 98 11516 1 . ASN 99 99 11516 1 . GLY 100 100 11516 1 . GLU 101 101 11516 1 . THR 102 102 11516 1 . GLU 103 103 11516 1 . LEU 104 104 11516 1 . CYS 105 105 11516 1 . MET 106 106 11516 1 . GLU 107 107 11516 1 . GLY 108 108 11516 1 . ARG 109 109 11516 1 . GLY 110 110 11516 1 . ILE 111 111 11516 1 . PRO 112 112 11516 1 . ALA 113 113 11516 1 . PRO 114 114 11516 1 . GLU 115 115 11516 1 . GLU 116 116 11516 1 . GLU 117 117 11516 1 . ARG 118 118 11516 1 . THR 119 119 11516 1 . ARG 120 120 11516 1 . GLN 121 121 11516 1 . GLY 122 122 11516 1 . TRP 123 123 11516 1 . GLN 124 124 11516 1 . ARG 125 125 11516 1 . TYR 126 126 11516 1 . TYR 127 127 11516 1 . PHE 128 128 11516 1 . GLU 129 129 11516 1 . GLY 130 130 11516 1 . ILE 131 131 11516 1 . LYS 132 132 11516 1 . GLN 133 133 11516 1 . THR 134 134 11516 1 . PHE 135 135 11516 1 . GLY 136 136 11516 1 . TYR 137 137 11516 1 . GLY 138 138 11516 1 . ALA 139 139 11516 1 . SER 140 140 11516 1 . GLY 141 141 11516 1 . PRO 142 142 11516 1 . SER 143 143 11516 1 . SER 144 144 11516 1 . GLY 145 145 11516 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 11516 _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 $protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11516 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 11516 _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 $protein . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040524-05 . . . . . . 11516 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11516 _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 protein '[U-13C; U-15N]' . . 1 $protein . protein 1.3 . . mM . . . . 11516 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11516 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11516 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 11516 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11516 1 6 H2O . . . . . . solvent 90 . . % . . . . 11516 1 7 D2O . . . . . . solvent 10 . . % . . . . 11516 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 11516 _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' 120 . mM 11516 1 pH 7.0 . pH 11516 1 pressure 1 . atm 11516 1 temperature 296 . K 11516 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11516 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11516 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11516 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11516 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11516 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11516 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11516 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11516 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11516 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11516 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11516 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11516 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11516 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11516 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11516 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11516 _NMR_spectrometer.ID 1 _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 11516 _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 . 900 . . . 11516 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 11516 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11516 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11516 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 11516 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.792 internal indirect 0.251449530 . . . . . . . . . 11516 1 H 1 water protons . . . . ppm 4.792 internal direct 1 . . . . . . . . . 11516 1 N 15 water protons . . . . ppm 4.792 internal indirect 0.101329118 . . . . . . . . . 11516 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 11516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 11516 1 2 '3D 1H-13C NOESY' . . . 11516 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 7 7 GLY HA2 H 1 3.989 0.030 . 2 . . . . 7 GLY HA2 . 11516 1 2 . 1 1 7 7 GLY HA3 H 1 3.959 0.030 . 2 . . . . 7 GLY HA3 . 11516 1 3 . 1 1 7 7 GLY C C 13 173.884 0.300 . 1 . . . . 7 GLY C . 11516 1 4 . 1 1 7 7 GLY CA C 13 45.135 0.300 . 1 . . . . 7 GLY CA . 11516 1 5 . 1 1 8 8 ILE H H 1 7.896 0.030 . 1 . . . . 8 ILE H . 11516 1 6 . 1 1 8 8 ILE HA H 1 4.459 0.030 . 1 . . . . 8 ILE HA . 11516 1 7 . 1 1 8 8 ILE HB H 1 1.764 0.030 . 1 . . . . 8 ILE HB . 11516 1 8 . 1 1 8 8 ILE HD11 H 1 0.446 0.030 . 1 . . . . 8 ILE HD1 . 11516 1 9 . 1 1 8 8 ILE HD12 H 1 0.446 0.030 . 1 . . . . 8 ILE HD1 . 11516 1 10 . 1 1 8 8 ILE HD13 H 1 0.446 0.030 . 1 . . . . 8 ILE HD1 . 11516 1 11 . 1 1 8 8 ILE HG12 H 1 1.300 0.030 . 2 . . . . 8 ILE HG12 . 11516 1 12 . 1 1 8 8 ILE HG13 H 1 1.001 0.030 . 2 . . . . 8 ILE HG13 . 11516 1 13 . 1 1 8 8 ILE HG21 H 1 0.715 0.030 . 1 . . . . 8 ILE HG2 . 11516 1 14 . 1 1 8 8 ILE HG22 H 1 0.715 0.030 . 1 . . . . 8 ILE HG2 . 11516 1 15 . 1 1 8 8 ILE HG23 H 1 0.715 0.030 . 1 . . . . 8 ILE HG2 . 11516 1 16 . 1 1 8 8 ILE C C 13 173.971 0.300 . 1 . . . . 8 ILE C . 11516 1 17 . 1 1 8 8 ILE CA C 13 58.699 0.300 . 1 . . . . 8 ILE CA . 11516 1 18 . 1 1 8 8 ILE CB C 13 38.750 0.300 . 1 . . . . 8 ILE CB . 11516 1 19 . 1 1 8 8 ILE CD1 C 13 12.812 0.300 . 1 . . . . 8 ILE CD1 . 11516 1 20 . 1 1 8 8 ILE CG1 C 13 26.263 0.300 . 1 . . . . 8 ILE CG1 . 11516 1 21 . 1 1 8 8 ILE CG2 C 13 16.842 0.300 . 1 . . . . 8 ILE CG2 . 11516 1 22 . 1 1 8 8 ILE N N 15 119.863 0.300 . 1 . . . . 8 ILE N . 11516 1 23 . 1 1 9 9 PRO HA H 1 4.559 0.030 . 1 . . . . 9 PRO HA . 11516 1 24 . 1 1 9 9 PRO HB2 H 1 2.328 0.030 . 2 . . . . 9 PRO HB2 . 11516 1 25 . 1 1 9 9 PRO HB3 H 1 1.859 0.030 . 2 . . . . 9 PRO HB3 . 11516 1 26 . 1 1 9 9 PRO HD2 H 1 3.864 0.030 . 2 . . . . 9 PRO HD2 . 11516 1 27 . 1 1 9 9 PRO HD3 H 1 3.706 0.030 . 2 . . . . 9 PRO HD3 . 11516 1 28 . 1 1 9 9 PRO HG2 H 1 2.074 0.030 . 2 . . . . 9 PRO HG2 . 11516 1 29 . 1 1 9 9 PRO HG3 H 1 2.002 0.030 . 2 . . . . 9 PRO HG3 . 11516 1 30 . 1 1 9 9 PRO C C 13 177.974 0.300 . 1 . . . . 9 PRO C . 11516 1 31 . 1 1 9 9 PRO CA C 13 63.053 0.300 . 1 . . . . 9 PRO CA . 11516 1 32 . 1 1 9 9 PRO CB C 13 31.982 0.300 . 1 . . . . 9 PRO CB . 11516 1 33 . 1 1 9 9 PRO CD C 13 50.883 0.300 . 1 . . . . 9 PRO CD . 11516 1 34 . 1 1 9 9 PRO CG C 13 27.840 0.300 . 1 . . . . 9 PRO CG . 11516 1 35 . 1 1 10 10 THR H H 1 8.511 0.030 . 1 . . . . 10 THR H . 11516 1 36 . 1 1 10 10 THR HA H 1 5.182 0.030 . 1 . . . . 10 THR HA . 11516 1 37 . 1 1 10 10 THR HB H 1 3.950 0.030 . 1 . . . . 10 THR HB . 11516 1 38 . 1 1 10 10 THR HG21 H 1 1.007 0.030 . 1 . . . . 10 THR HG2 . 11516 1 39 . 1 1 10 10 THR HG22 H 1 1.007 0.030 . 1 . . . . 10 THR HG2 . 11516 1 40 . 1 1 10 10 THR HG23 H 1 1.007 0.030 . 1 . . . . 10 THR HG2 . 11516 1 41 . 1 1 10 10 THR C C 13 173.616 0.300 . 1 . . . . 10 THR C . 11516 1 42 . 1 1 10 10 THR CA C 13 59.698 0.300 . 1 . . . . 10 THR CA . 11516 1 43 . 1 1 10 10 THR CB C 13 73.483 0.300 . 1 . . . . 10 THR CB . 11516 1 44 . 1 1 10 10 THR CG2 C 13 20.939 0.300 . 1 . . . . 10 THR CG2 . 11516 1 45 . 1 1 10 10 THR N N 15 112.724 0.300 . 1 . . . . 10 THR N . 11516 1 46 . 1 1 11 11 CYS H H 1 9.333 0.030 . 1 . . . . 11 CYS H . 11516 1 47 . 1 1 11 11 CYS HA H 1 5.119 0.030 . 1 . . . . 11 CYS HA . 11516 1 48 . 1 1 11 11 CYS HB2 H 1 3.001 0.030 . 2 . . . . 11 CYS HB2 . 11516 1 49 . 1 1 11 11 CYS HB3 H 1 2.940 0.030 . 2 . . . . 11 CYS HB3 . 11516 1 50 . 1 1 11 11 CYS C C 13 171.185 0.300 . 1 . . . . 11 CYS C . 11516 1 51 . 1 1 11 11 CYS CA C 13 55.624 0.300 . 1 . . . . 11 CYS CA . 11516 1 52 . 1 1 11 11 CYS CB C 13 32.732 0.300 . 1 . . . . 11 CYS CB . 11516 1 53 . 1 1 11 11 CYS N N 15 116.619 0.300 . 1 . . . . 11 CYS N . 11516 1 54 . 1 1 12 12 LYS H H 1 8.067 0.030 . 1 . . . . 12 LYS H . 11516 1 55 . 1 1 12 12 LYS HA H 1 5.430 0.030 . 1 . . . . 12 LYS HA . 11516 1 56 . 1 1 12 12 LYS HB2 H 1 1.843 0.030 . 2 . . . . 12 LYS HB2 . 11516 1 57 . 1 1 12 12 LYS HB3 H 1 1.761 0.030 . 2 . . . . 12 LYS HB3 . 11516 1 58 . 1 1 12 12 LYS HD2 H 1 1.616 0.030 . 1 . . . . 12 LYS HD2 . 11516 1 59 . 1 1 12 12 LYS HD3 H 1 1.616 0.030 . 1 . . . . 12 LYS HD3 . 11516 1 60 . 1 1 12 12 LYS HE2 H 1 2.889 0.030 . 2 . . . . 12 LYS HE2 . 11516 1 61 . 1 1 12 12 LYS HG2 H 1 1.504 0.030 . 2 . . . . 12 LYS HG2 . 11516 1 62 . 1 1 12 12 LYS HG3 H 1 1.347 0.030 . 2 . . . . 12 LYS HG3 . 11516 1 63 . 1 1 12 12 LYS C C 13 176.370 0.300 . 1 . . . . 12 LYS C . 11516 1 64 . 1 1 12 12 LYS CA C 13 54.063 0.300 . 1 . . . . 12 LYS CA . 11516 1 65 . 1 1 12 12 LYS CB C 13 35.665 0.300 . 1 . . . . 12 LYS CB . 11516 1 66 . 1 1 12 12 LYS CD C 13 29.630 0.300 . 1 . . . . 12 LYS CD . 11516 1 67 . 1 1 12 12 LYS CE C 13 41.993 0.300 . 1 . . . . 12 LYS CE . 11516 1 68 . 1 1 12 12 LYS CG C 13 24.686 0.300 . 1 . . . . 12 LYS CG . 11516 1 69 . 1 1 12 12 LYS N N 15 117.908 0.300 . 1 . . . . 12 LYS N . 11516 1 70 . 1 1 13 13 ILE H H 1 8.574 0.030 . 1 . . . . 13 ILE H . 11516 1 71 . 1 1 13 13 ILE HA H 1 4.607 0.030 . 1 . . . . 13 ILE HA . 11516 1 72 . 1 1 13 13 ILE HB H 1 1.501 0.030 . 1 . . . . 13 ILE HB . 11516 1 73 . 1 1 13 13 ILE HD11 H 1 0.587 0.030 . 1 . . . . 13 ILE HD1 . 11516 1 74 . 1 1 13 13 ILE HD12 H 1 0.587 0.030 . 1 . . . . 13 ILE HD1 . 11516 1 75 . 1 1 13 13 ILE HD13 H 1 0.587 0.030 . 1 . . . . 13 ILE HD1 . 11516 1 76 . 1 1 13 13 ILE HG12 H 1 1.214 0.030 . 2 . . . . 13 ILE HG12 . 11516 1 77 . 1 1 13 13 ILE HG13 H 1 0.847 0.030 . 2 . . . . 13 ILE HG13 . 11516 1 78 . 1 1 13 13 ILE HG21 H 1 0.791 0.030 . 1 . . . . 13 ILE HG2 . 11516 1 79 . 1 1 13 13 ILE HG22 H 1 0.791 0.030 . 1 . . . . 13 ILE HG2 . 11516 1 80 . 1 1 13 13 ILE HG23 H 1 0.791 0.030 . 1 . . . . 13 ILE HG2 . 11516 1 81 . 1 1 13 13 ILE CA C 13 59.910 0.300 . 1 . . . . 13 ILE CA . 11516 1 82 . 1 1 13 13 ILE CB C 13 43.033 0.300 . 1 . . . . 13 ILE CB . 11516 1 83 . 1 1 13 13 ILE CD1 C 13 14.616 0.300 . 1 . . . . 13 ILE CD1 . 11516 1 84 . 1 1 13 13 ILE CG1 C 13 25.469 0.300 . 1 . . . . 13 ILE CG1 . 11516 1 85 . 1 1 13 13 ILE CG2 C 13 17.362 0.300 . 1 . . . . 13 ILE CG2 . 11516 1 86 . 1 1 13 13 ILE N N 15 116.899 0.300 . 1 . . . . 13 ILE N . 11516 1 87 . 1 1 14 14 THR H H 1 8.259 0.030 . 1 . . . . 14 THR H . 11516 1 88 . 1 1 14 14 THR HA H 1 5.280 0.030 . 1 . . . . 14 THR HA . 11516 1 89 . 1 1 14 14 THR HB H 1 3.967 0.030 . 1 . . . . 14 THR HB . 11516 1 90 . 1 1 14 14 THR HG21 H 1 1.120 0.030 . 1 . . . . 14 THR HG2 . 11516 1 91 . 1 1 14 14 THR HG22 H 1 1.120 0.030 . 1 . . . . 14 THR HG2 . 11516 1 92 . 1 1 14 14 THR HG23 H 1 1.120 0.030 . 1 . . . . 14 THR HG2 . 11516 1 93 . 1 1 14 14 THR C C 13 173.455 0.300 . 1 . . . . 14 THR C . 11516 1 94 . 1 1 14 14 THR CA C 13 60.894 0.300 . 1 . . . . 14 THR CA . 11516 1 95 . 1 1 14 14 THR CB C 13 71.422 0.300 . 1 . . . . 14 THR CB . 11516 1 96 . 1 1 14 14 THR CG2 C 13 21.681 0.300 . 1 . . . . 14 THR CG2 . 11516 1 97 . 1 1 14 14 THR N N 15 118.656 0.300 . 1 . . . . 14 THR N . 11516 1 98 . 1 1 15 15 LEU H H 1 9.103 0.030 . 1 . . . . 15 LEU H . 11516 1 99 . 1 1 15 15 LEU HA H 1 4.832 0.030 . 1 . . . . 15 LEU HA . 11516 1 100 . 1 1 15 15 LEU HB2 H 1 1.665 0.030 . 1 . . . . 15 LEU HB2 . 11516 1 101 . 1 1 15 15 LEU HB3 H 1 1.665 0.030 . 1 . . . . 15 LEU HB3 . 11516 1 102 . 1 1 15 15 LEU HD11 H 1 0.919 0.030 . 1 . . . . 15 LEU HD1 . 11516 1 103 . 1 1 15 15 LEU HD12 H 1 0.919 0.030 . 1 . . . . 15 LEU HD1 . 11516 1 104 . 1 1 15 15 LEU HD13 H 1 0.919 0.030 . 1 . . . . 15 LEU HD1 . 11516 1 105 . 1 1 15 15 LEU HD21 H 1 1.021 0.030 . 1 . . . . 15 LEU HD2 . 11516 1 106 . 1 1 15 15 LEU HD22 H 1 1.021 0.030 . 1 . . . . 15 LEU HD2 . 11516 1 107 . 1 1 15 15 LEU HD23 H 1 1.021 0.030 . 1 . . . . 15 LEU HD2 . 11516 1 108 . 1 1 15 15 LEU HG H 1 1.531 0.030 . 1 . . . . 15 LEU HG . 11516 1 109 . 1 1 15 15 LEU C C 13 174.876 0.300 . 1 . . . . 15 LEU C . 11516 1 110 . 1 1 15 15 LEU CA C 13 54.095 0.300 . 1 . . . . 15 LEU CA . 11516 1 111 . 1 1 15 15 LEU CB C 13 47.094 0.300 . 1 . . . . 15 LEU CB . 11516 1 112 . 1 1 15 15 LEU CD1 C 13 26.458 0.300 . 2 . . . . 15 LEU CD1 . 11516 1 113 . 1 1 15 15 LEU CD2 C 13 24.241 0.300 . 2 . . . . 15 LEU CD2 . 11516 1 114 . 1 1 15 15 LEU CG C 13 27.485 0.300 . 1 . . . . 15 LEU CG . 11516 1 115 . 1 1 15 15 LEU N N 15 125.833 0.300 . 1 . . . . 15 LEU N . 11516 1 116 . 1 1 16 16 LYS H H 1 8.472 0.030 . 1 . . . . 16 LYS H . 11516 1 117 . 1 1 16 16 LYS HA H 1 5.455 0.030 . 1 . . . . 16 LYS HA . 11516 1 118 . 1 1 16 16 LYS HB2 H 1 1.617 0.030 . 1 . . . . 16 LYS HB2 . 11516 1 119 . 1 1 16 16 LYS HB3 H 1 1.617 0.030 . 1 . . . . 16 LYS HB3 . 11516 1 120 . 1 1 16 16 LYS HD2 H 1 1.527 0.030 . 1 . . . . 16 LYS HD2 . 11516 1 121 . 1 1 16 16 LYS HD3 H 1 1.527 0.030 . 1 . . . . 16 LYS HD3 . 11516 1 122 . 1 1 16 16 LYS HE2 H 1 2.812 0.030 . 2 . . . . 16 LYS HE2 . 11516 1 123 . 1 1 16 16 LYS HG2 H 1 1.309 0.030 . 2 . . . . 16 LYS HG2 . 11516 1 124 . 1 1 16 16 LYS HG3 H 1 1.233 0.030 . 2 . . . . 16 LYS HG3 . 11516 1 125 . 1 1 16 16 LYS C C 13 174.976 0.300 . 1 . . . . 16 LYS C . 11516 1 126 . 1 1 16 16 LYS CA C 13 55.368 0.300 . 1 . . . . 16 LYS CA . 11516 1 127 . 1 1 16 16 LYS CB C 13 35.933 0.300 . 1 . . . . 16 LYS CB . 11516 1 128 . 1 1 16 16 LYS CD C 13 29.522 0.300 . 1 . . . . 16 LYS CD . 11516 1 129 . 1 1 16 16 LYS CE C 13 42.019 0.300 . 1 . . . . 16 LYS CE . 11516 1 130 . 1 1 16 16 LYS CG C 13 24.894 0.300 . 1 . . . . 16 LYS CG . 11516 1 131 . 1 1 16 16 LYS N N 15 120.953 0.300 . 1 . . . . 16 LYS N . 11516 1 132 . 1 1 17 17 GLU H H 1 8.553 0.030 . 1 . . . . 17 GLU H . 11516 1 133 . 1 1 17 17 GLU HA H 1 4.454 0.030 . 1 . . . . 17 GLU HA . 11516 1 134 . 1 1 17 17 GLU HB2 H 1 1.474 0.030 . 2 . . . . 17 GLU HB2 . 11516 1 135 . 1 1 17 17 GLU HB3 H 1 1.084 0.030 . 2 . . . . 17 GLU HB3 . 11516 1 136 . 1 1 17 17 GLU HG2 H 1 1.594 0.030 . 2 . . . . 17 GLU HG2 . 11516 1 137 . 1 1 17 17 GLU HG3 H 1 1.415 0.030 . 2 . . . . 17 GLU HG3 . 11516 1 138 . 1 1 17 17 GLU C C 13 173.812 0.300 . 1 . . . . 17 GLU C . 11516 1 139 . 1 1 17 17 GLU CA C 13 54.930 0.300 . 1 . . . . 17 GLU CA . 11516 1 140 . 1 1 17 17 GLU CB C 13 34.100 0.300 . 1 . . . . 17 GLU CB . 11516 1 141 . 1 1 17 17 GLU CG C 13 36.308 0.300 . 1 . . . . 17 GLU CG . 11516 1 142 . 1 1 17 17 GLU N N 15 124.189 0.300 . 1 . . . . 17 GLU N . 11516 1 143 . 1 1 18 18 THR H H 1 8.791 0.030 . 1 . . . . 18 THR H . 11516 1 144 . 1 1 18 18 THR HA H 1 5.124 0.030 . 1 . . . . 18 THR HA . 11516 1 145 . 1 1 18 18 THR HB H 1 3.817 0.030 . 1 . . . . 18 THR HB . 11516 1 146 . 1 1 18 18 THR HG21 H 1 1.030 0.030 . 1 . . . . 18 THR HG2 . 11516 1 147 . 1 1 18 18 THR HG22 H 1 1.030 0.030 . 1 . . . . 18 THR HG2 . 11516 1 148 . 1 1 18 18 THR HG23 H 1 1.030 0.030 . 1 . . . . 18 THR HG2 . 11516 1 149 . 1 1 18 18 THR C C 13 173.373 0.300 . 1 . . . . 18 THR C . 11516 1 150 . 1 1 18 18 THR CA C 13 62.095 0.300 . 1 . . . . 18 THR CA . 11516 1 151 . 1 1 18 18 THR CB C 13 70.121 0.300 . 1 . . . . 18 THR CB . 11516 1 152 . 1 1 18 18 THR CG2 C 13 22.147 0.300 . 1 . . . . 18 THR CG2 . 11516 1 153 . 1 1 18 18 THR N N 15 120.431 0.300 . 1 . . . . 18 THR N . 11516 1 154 . 1 1 19 19 PHE H H 1 9.390 0.030 . 1 . . . . 19 PHE H . 11516 1 155 . 1 1 19 19 PHE HA H 1 4.828 0.030 . 1 . . . . 19 PHE HA . 11516 1 156 . 1 1 19 19 PHE HB2 H 1 2.698 0.030 . 1 . . . . 19 PHE HB2 . 11516 1 157 . 1 1 19 19 PHE HB3 H 1 2.698 0.030 . 1 . . . . 19 PHE HB3 . 11516 1 158 . 1 1 19 19 PHE HD1 H 1 7.121 0.030 . 1 . . . . 19 PHE HD1 . 11516 1 159 . 1 1 19 19 PHE HD2 H 1 7.121 0.030 . 1 . . . . 19 PHE HD2 . 11516 1 160 . 1 1 19 19 PHE HE1 H 1 7.162 0.030 . 1 . . . . 19 PHE HE1 . 11516 1 161 . 1 1 19 19 PHE HE2 H 1 7.162 0.030 . 1 . . . . 19 PHE HE2 . 11516 1 162 . 1 1 19 19 PHE HZ H 1 6.965 0.030 . 1 . . . . 19 PHE HZ . 11516 1 163 . 1 1 19 19 PHE C C 13 175.196 0.300 . 1 . . . . 19 PHE C . 11516 1 164 . 1 1 19 19 PHE CA C 13 56.258 0.300 . 1 . . . . 19 PHE CA . 11516 1 165 . 1 1 19 19 PHE CB C 13 43.904 0.300 . 1 . . . . 19 PHE CB . 11516 1 166 . 1 1 19 19 PHE CD1 C 13 132.451 0.300 . 1 . . . . 19 PHE CD1 . 11516 1 167 . 1 1 19 19 PHE CD2 C 13 132.451 0.300 . 1 . . . . 19 PHE CD2 . 11516 1 168 . 1 1 19 19 PHE CE1 C 13 131.251 0.300 . 1 . . . . 19 PHE CE1 . 11516 1 169 . 1 1 19 19 PHE CE2 C 13 131.251 0.300 . 1 . . . . 19 PHE CE2 . 11516 1 170 . 1 1 19 19 PHE CZ C 13 128.301 0.300 . 1 . . . . 19 PHE CZ . 11516 1 171 . 1 1 19 19 PHE N N 15 122.855 0.300 . 1 . . . . 19 PHE N . 11516 1 172 . 1 1 20 20 LEU H H 1 8.983 0.030 . 1 . . . . 20 LEU H . 11516 1 173 . 1 1 20 20 LEU HA H 1 4.608 0.030 . 1 . . . . 20 LEU HA . 11516 1 174 . 1 1 20 20 LEU HB2 H 1 1.759 0.030 . 2 . . . . 20 LEU HB2 . 11516 1 175 . 1 1 20 20 LEU HB3 H 1 1.450 0.030 . 2 . . . . 20 LEU HB3 . 11516 1 176 . 1 1 20 20 LEU HD11 H 1 0.861 0.030 . 1 . . . . 20 LEU HD1 . 11516 1 177 . 1 1 20 20 LEU HD12 H 1 0.861 0.030 . 1 . . . . 20 LEU HD1 . 11516 1 178 . 1 1 20 20 LEU HD13 H 1 0.861 0.030 . 1 . . . . 20 LEU HD1 . 11516 1 179 . 1 1 20 20 LEU HD21 H 1 0.895 0.030 . 1 . . . . 20 LEU HD2 . 11516 1 180 . 1 1 20 20 LEU HD22 H 1 0.895 0.030 . 1 . . . . 20 LEU HD2 . 11516 1 181 . 1 1 20 20 LEU HD23 H 1 0.895 0.030 . 1 . . . . 20 LEU HD2 . 11516 1 182 . 1 1 20 20 LEU HG H 1 1.651 0.030 . 1 . . . . 20 LEU HG . 11516 1 183 . 1 1 20 20 LEU C C 13 174.477 0.300 . 1 . . . . 20 LEU C . 11516 1 184 . 1 1 20 20 LEU CA C 13 53.967 0.300 . 1 . . . . 20 LEU CA . 11516 1 185 . 1 1 20 20 LEU CB C 13 38.740 0.300 . 1 . . . . 20 LEU CB . 11516 1 186 . 1 1 20 20 LEU CD1 C 13 24.034 0.300 . 2 . . . . 20 LEU CD1 . 11516 1 187 . 1 1 20 20 LEU CD2 C 13 24.879 0.300 . 2 . . . . 20 LEU CD2 . 11516 1 188 . 1 1 20 20 LEU CG C 13 27.430 0.300 . 1 . . . . 20 LEU CG . 11516 1 189 . 1 1 20 20 LEU N N 15 128.318 0.300 . 1 . . . . 20 LEU N . 11516 1 190 . 1 1 21 21 THR H H 1 7.889 0.030 . 1 . . . . 21 THR H . 11516 1 191 . 1 1 21 21 THR HA H 1 4.230 0.030 . 1 . . . . 21 THR HA . 11516 1 192 . 1 1 21 21 THR HB H 1 3.225 0.030 . 1 . . . . 21 THR HB . 11516 1 193 . 1 1 21 21 THR HG21 H 1 0.315 0.030 . 1 . . . . 21 THR HG2 . 11516 1 194 . 1 1 21 21 THR HG22 H 1 0.315 0.030 . 1 . . . . 21 THR HG2 . 11516 1 195 . 1 1 21 21 THR HG23 H 1 0.315 0.030 . 1 . . . . 21 THR HG2 . 11516 1 196 . 1 1 21 21 THR C C 13 172.932 0.300 . 1 . . . . 21 THR C . 11516 1 197 . 1 1 21 21 THR CA C 13 60.418 0.300 . 1 . . . . 21 THR CA . 11516 1 198 . 1 1 21 21 THR CB C 13 67.246 0.300 . 1 . . . . 21 THR CB . 11516 1 199 . 1 1 21 21 THR CG2 C 13 17.703 0.300 . 1 . . . . 21 THR CG2 . 11516 1 200 . 1 1 21 21 THR N N 15 115.266 0.300 . 1 . . . . 21 THR N . 11516 1 201 . 1 1 22 22 SER H H 1 8.264 0.030 . 1 . . . . 22 SER H . 11516 1 202 . 1 1 22 22 SER HA H 1 4.708 0.030 . 1 . . . . 22 SER HA . 11516 1 203 . 1 1 22 22 SER HB2 H 1 4.218 0.030 . 2 . . . . 22 SER HB2 . 11516 1 204 . 1 1 22 22 SER HB3 H 1 3.859 0.030 . 2 . . . . 22 SER HB3 . 11516 1 205 . 1 1 22 22 SER C C 13 173.686 0.300 . 1 . . . . 22 SER C . 11516 1 206 . 1 1 22 22 SER CA C 13 56.024 0.300 . 1 . . . . 22 SER CA . 11516 1 207 . 1 1 22 22 SER CB C 13 64.139 0.300 . 1 . . . . 22 SER CB . 11516 1 208 . 1 1 22 22 SER N N 15 118.154 0.300 . 1 . . . . 22 SER N . 11516 1 209 . 1 1 23 23 PRO HA H 1 3.974 0.030 . 1 . . . . 23 PRO HA . 11516 1 210 . 1 1 23 23 PRO HB2 H 1 2.199 0.030 . 2 . . . . 23 PRO HB2 . 11516 1 211 . 1 1 23 23 PRO HB3 H 1 1.966 0.030 . 2 . . . . 23 PRO HB3 . 11516 1 212 . 1 1 23 23 PRO HD2 H 1 3.850 0.030 . 2 . . . . 23 PRO HD2 . 11516 1 213 . 1 1 23 23 PRO HD3 H 1 3.777 0.030 . 2 . . . . 23 PRO HD3 . 11516 1 214 . 1 1 23 23 PRO HG2 H 1 2.172 0.030 . 2 . . . . 23 PRO HG2 . 11516 1 215 . 1 1 23 23 PRO HG3 H 1 1.896 0.030 . 2 . . . . 23 PRO HG3 . 11516 1 216 . 1 1 23 23 PRO C C 13 178.075 0.300 . 1 . . . . 23 PRO C . 11516 1 217 . 1 1 23 23 PRO CA C 13 66.079 0.300 . 1 . . . . 23 PRO CA . 11516 1 218 . 1 1 23 23 PRO CB C 13 32.381 0.300 . 1 . . . . 23 PRO CB . 11516 1 219 . 1 1 23 23 PRO CD C 13 50.463 0.300 . 1 . . . . 23 PRO CD . 11516 1 220 . 1 1 23 23 PRO CG C 13 27.996 0.300 . 1 . . . . 23 PRO CG . 11516 1 221 . 1 1 24 24 GLU H H 1 8.412 0.030 . 1 . . . . 24 GLU H . 11516 1 222 . 1 1 24 24 GLU HA H 1 3.664 0.030 . 1 . . . . 24 GLU HA . 11516 1 223 . 1 1 24 24 GLU HB2 H 1 1.958 0.030 . 2 . . . . 24 GLU HB2 . 11516 1 224 . 1 1 24 24 GLU HB3 H 1 1.804 0.030 . 2 . . . . 24 GLU HB3 . 11516 1 225 . 1 1 24 24 GLU HG2 H 1 2.161 0.030 . 2 . . . . 24 GLU HG2 . 11516 1 226 . 1 1 24 24 GLU HG3 H 1 2.102 0.030 . 2 . . . . 24 GLU HG3 . 11516 1 227 . 1 1 24 24 GLU C C 13 178.387 0.300 . 1 . . . . 24 GLU C . 11516 1 228 . 1 1 24 24 GLU CA C 13 59.809 0.300 . 1 . . . . 24 GLU CA . 11516 1 229 . 1 1 24 24 GLU CB C 13 29.018 0.300 . 1 . . . . 24 GLU CB . 11516 1 230 . 1 1 24 24 GLU CG C 13 35.721 0.300 . 1 . . . . 24 GLU CG . 11516 1 231 . 1 1 24 24 GLU N N 15 115.255 0.300 . 1 . . . . 24 GLU N . 11516 1 232 . 1 1 25 25 GLU H H 1 7.402 0.030 . 1 . . . . 25 GLU H . 11516 1 233 . 1 1 25 25 GLU HA H 1 3.937 0.030 . 1 . . . . 25 GLU HA . 11516 1 234 . 1 1 25 25 GLU HB2 H 1 2.006 0.030 . 1 . . . . 25 GLU HB2 . 11516 1 235 . 1 1 25 25 GLU HB3 H 1 2.006 0.030 . 1 . . . . 25 GLU HB3 . 11516 1 236 . 1 1 25 25 GLU HG2 H 1 2.137 0.030 . 2 . . . . 25 GLU HG2 . 11516 1 237 . 1 1 25 25 GLU HG3 H 1 2.076 0.030 . 2 . . . . 25 GLU HG3 . 11516 1 238 . 1 1 25 25 GLU C C 13 178.776 0.300 . 1 . . . . 25 GLU C . 11516 1 239 . 1 1 25 25 GLU CA C 13 58.755 0.300 . 1 . . . . 25 GLU CA . 11516 1 240 . 1 1 25 25 GLU CB C 13 29.188 0.300 . 1 . . . . 25 GLU CB . 11516 1 241 . 1 1 25 25 GLU CG C 13 36.091 0.300 . 1 . . . . 25 GLU CG . 11516 1 242 . 1 1 25 25 GLU N N 15 120.091 0.300 . 1 . . . . 25 GLU N . 11516 1 243 . 1 1 26 26 LEU H H 1 8.104 0.030 . 1 . . . . 26 LEU H . 11516 1 244 . 1 1 26 26 LEU HA H 1 3.888 0.030 . 1 . . . . 26 LEU HA . 11516 1 245 . 1 1 26 26 LEU HB2 H 1 1.693 0.030 . 2 . . . . 26 LEU HB2 . 11516 1 246 . 1 1 26 26 LEU HB3 H 1 1.110 0.030 . 2 . . . . 26 LEU HB3 . 11516 1 247 . 1 1 26 26 LEU HD11 H 1 0.353 0.030 . 1 . . . . 26 LEU HD1 . 11516 1 248 . 1 1 26 26 LEU HD12 H 1 0.353 0.030 . 1 . . . . 26 LEU HD1 . 11516 1 249 . 1 1 26 26 LEU HD13 H 1 0.353 0.030 . 1 . . . . 26 LEU HD1 . 11516 1 250 . 1 1 26 26 LEU HD21 H 1 0.400 0.030 . 1 . . . . 26 LEU HD2 . 11516 1 251 . 1 1 26 26 LEU HD22 H 1 0.400 0.030 . 1 . . . . 26 LEU HD2 . 11516 1 252 . 1 1 26 26 LEU HD23 H 1 0.400 0.030 . 1 . . . . 26 LEU HD2 . 11516 1 253 . 1 1 26 26 LEU HG H 1 1.699 0.030 . 1 . . . . 26 LEU HG . 11516 1 254 . 1 1 26 26 LEU C C 13 178.112 0.300 . 1 . . . . 26 LEU C . 11516 1 255 . 1 1 26 26 LEU CA C 13 57.209 0.300 . 1 . . . . 26 LEU CA . 11516 1 256 . 1 1 26 26 LEU CB C 13 41.591 0.300 . 1 . . . . 26 LEU CB . 11516 1 257 . 1 1 26 26 LEU CD1 C 13 22.947 0.300 . 2 . . . . 26 LEU CD1 . 11516 1 258 . 1 1 26 26 LEU CD2 C 13 26.743 0.300 . 2 . . . . 26 LEU CD2 . 11516 1 259 . 1 1 26 26 LEU CG C 13 26.724 0.300 . 1 . . . . 26 LEU CG . 11516 1 260 . 1 1 26 26 LEU N N 15 119.681 0.300 . 1 . . . . 26 LEU N . 11516 1 261 . 1 1 27 27 TYR H H 1 8.584 0.030 . 1 . . . . 27 TYR H . 11516 1 262 . 1 1 27 27 TYR HA H 1 3.503 0.030 . 1 . . . . 27 TYR HA . 11516 1 263 . 1 1 27 27 TYR HB2 H 1 2.766 0.030 . 2 . . . . 27 TYR HB2 . 11516 1 264 . 1 1 27 27 TYR HB3 H 1 1.902 0.030 . 2 . . . . 27 TYR HB3 . 11516 1 265 . 1 1 27 27 TYR HD1 H 1 7.453 0.030 . 1 . . . . 27 TYR HD1 . 11516 1 266 . 1 1 27 27 TYR HD2 H 1 7.453 0.030 . 1 . . . . 27 TYR HD2 . 11516 1 267 . 1 1 27 27 TYR HE1 H 1 6.571 0.030 . 1 . . . . 27 TYR HE1 . 11516 1 268 . 1 1 27 27 TYR HE2 H 1 6.571 0.030 . 1 . . . . 27 TYR HE2 . 11516 1 269 . 1 1 27 27 TYR C C 13 178.596 0.300 . 1 . . . . 27 TYR C . 11516 1 270 . 1 1 27 27 TYR CA C 13 62.224 0.300 . 1 . . . . 27 TYR CA . 11516 1 271 . 1 1 27 27 TYR CB C 13 38.185 0.300 . 1 . . . . 27 TYR CB . 11516 1 272 . 1 1 27 27 TYR CD1 C 13 130.880 0.300 . 1 . . . . 27 TYR CD1 . 11516 1 273 . 1 1 27 27 TYR CD2 C 13 130.880 0.300 . 1 . . . . 27 TYR CD2 . 11516 1 274 . 1 1 27 27 TYR CE1 C 13 119.045 0.300 . 1 . . . . 27 TYR CE1 . 11516 1 275 . 1 1 27 27 TYR CE2 C 13 119.045 0.300 . 1 . . . . 27 TYR CE2 . 11516 1 276 . 1 1 27 27 TYR N N 15 118.450 0.300 . 1 . . . . 27 TYR N . 11516 1 277 . 1 1 28 28 ARG H H 1 7.492 0.030 . 1 . . . . 28 ARG H . 11516 1 278 . 1 1 28 28 ARG HA H 1 3.683 0.030 . 1 . . . . 28 ARG HA . 11516 1 279 . 1 1 28 28 ARG HB2 H 1 1.949 0.030 . 2 . . . . 28 ARG HB2 . 11516 1 280 . 1 1 28 28 ARG HB3 H 1 1.863 0.030 . 2 . . . . 28 ARG HB3 . 11516 1 281 . 1 1 28 28 ARG HD2 H 1 3.168 0.030 . 1 . . . . 28 ARG HD2 . 11516 1 282 . 1 1 28 28 ARG HD3 H 1 3.168 0.030 . 1 . . . . 28 ARG HD3 . 11516 1 283 . 1 1 28 28 ARG HG2 H 1 1.740 0.030 . 2 . . . . 28 ARG HG2 . 11516 1 284 . 1 1 28 28 ARG HG3 H 1 1.466 0.030 . 2 . . . . 28 ARG HG3 . 11516 1 285 . 1 1 28 28 ARG C C 13 179.312 0.300 . 1 . . . . 28 ARG C . 11516 1 286 . 1 1 28 28 ARG CA C 13 59.748 0.300 . 1 . . . . 28 ARG CA . 11516 1 287 . 1 1 28 28 ARG CB C 13 30.266 0.300 . 1 . . . . 28 ARG CB . 11516 1 288 . 1 1 28 28 ARG CD C 13 43.508 0.300 . 1 . . . . 28 ARG CD . 11516 1 289 . 1 1 28 28 ARG CG C 13 28.352 0.300 . 1 . . . . 28 ARG CG . 11516 1 290 . 1 1 28 28 ARG N N 15 119.922 0.300 . 1 . . . . 28 ARG N . 11516 1 291 . 1 1 29 29 VAL H H 1 7.775 0.030 . 1 . . . . 29 VAL H . 11516 1 292 . 1 1 29 29 VAL HA H 1 3.639 0.030 . 1 . . . . 29 VAL HA . 11516 1 293 . 1 1 29 29 VAL HB H 1 2.314 0.030 . 1 . . . . 29 VAL HB . 11516 1 294 . 1 1 29 29 VAL HG11 H 1 0.630 0.030 . 1 . . . . 29 VAL HG1 . 11516 1 295 . 1 1 29 29 VAL HG12 H 1 0.630 0.030 . 1 . . . . 29 VAL HG1 . 11516 1 296 . 1 1 29 29 VAL HG13 H 1 0.630 0.030 . 1 . . . . 29 VAL HG1 . 11516 1 297 . 1 1 29 29 VAL HG21 H 1 0.738 0.030 . 1 . . . . 29 VAL HG2 . 11516 1 298 . 1 1 29 29 VAL HG22 H 1 0.738 0.030 . 1 . . . . 29 VAL HG2 . 11516 1 299 . 1 1 29 29 VAL HG23 H 1 0.738 0.030 . 1 . . . . 29 VAL HG2 . 11516 1 300 . 1 1 29 29 VAL C C 13 174.840 0.300 . 1 . . . . 29 VAL C . 11516 1 301 . 1 1 29 29 VAL CA C 13 66.192 0.300 . 1 . . . . 29 VAL CA . 11516 1 302 . 1 1 29 29 VAL CB C 13 31.053 0.300 . 1 . . . . 29 VAL CB . 11516 1 303 . 1 1 29 29 VAL CG1 C 13 23.624 0.300 . 2 . . . . 29 VAL CG1 . 11516 1 304 . 1 1 29 29 VAL CG2 C 13 23.511 0.300 . 2 . . . . 29 VAL CG2 . 11516 1 305 . 1 1 29 29 VAL N N 15 120.394 0.300 . 1 . . . . 29 VAL N . 11516 1 306 . 1 1 30 30 PHE H H 1 6.837 0.030 . 1 . . . . 30 PHE H . 11516 1 307 . 1 1 30 30 PHE HA H 1 4.092 0.030 . 1 . . . . 30 PHE HA . 11516 1 308 . 1 1 30 30 PHE HB2 H 1 2.958 0.030 . 2 . . . . 30 PHE HB2 . 11516 1 309 . 1 1 30 30 PHE HB3 H 1 2.688 0.030 . 2 . . . . 30 PHE HB3 . 11516 1 310 . 1 1 30 30 PHE HD1 H 1 7.477 0.030 . 1 . . . . 30 PHE HD1 . 11516 1 311 . 1 1 30 30 PHE HD2 H 1 7.477 0.030 . 1 . . . . 30 PHE HD2 . 11516 1 312 . 1 1 30 30 PHE HE1 H 1 6.756 0.030 . 1 . . . . 30 PHE HE1 . 11516 1 313 . 1 1 30 30 PHE HE2 H 1 6.756 0.030 . 1 . . . . 30 PHE HE2 . 11516 1 314 . 1 1 30 30 PHE HZ H 1 6.836 0.030 . 1 . . . . 30 PHE HZ . 11516 1 315 . 1 1 30 30 PHE C C 13 177.203 0.300 . 1 . . . . 30 PHE C . 11516 1 316 . 1 1 30 30 PHE CA C 13 61.537 0.300 . 1 . . . . 30 PHE CA . 11516 1 317 . 1 1 30 30 PHE CB C 13 42.031 0.300 . 1 . . . . 30 PHE CB . 11516 1 318 . 1 1 30 30 PHE CD1 C 13 131.265 0.300 . 1 . . . . 30 PHE CD1 . 11516 1 319 . 1 1 30 30 PHE CD2 C 13 131.265 0.300 . 1 . . . . 30 PHE CD2 . 11516 1 320 . 1 1 30 30 PHE CE1 C 13 130.411 0.300 . 1 . . . . 30 PHE CE1 . 11516 1 321 . 1 1 30 30 PHE CE2 C 13 130.411 0.300 . 1 . . . . 30 PHE CE2 . 11516 1 322 . 1 1 30 30 PHE CZ C 13 128.615 0.300 . 1 . . . . 30 PHE CZ . 11516 1 323 . 1 1 30 30 PHE N N 15 109.377 0.300 . 1 . . . . 30 PHE N . 11516 1 324 . 1 1 31 31 THR H H 1 7.123 0.030 . 1 . . . . 31 THR H . 11516 1 325 . 1 1 31 31 THR HA H 1 4.212 0.030 . 1 . . . . 31 THR HA . 11516 1 326 . 1 1 31 31 THR HB H 1 4.183 0.030 . 1 . . . . 31 THR HB . 11516 1 327 . 1 1 31 31 THR HG21 H 1 0.347 0.030 . 1 . . . . 31 THR HG2 . 11516 1 328 . 1 1 31 31 THR HG22 H 1 0.347 0.030 . 1 . . . . 31 THR HG2 . 11516 1 329 . 1 1 31 31 THR HG23 H 1 0.347 0.030 . 1 . . . . 31 THR HG2 . 11516 1 330 . 1 1 31 31 THR C C 13 172.533 0.300 . 1 . . . . 31 THR C . 11516 1 331 . 1 1 31 31 THR CA C 13 60.704 0.300 . 1 . . . . 31 THR CA . 11516 1 332 . 1 1 31 31 THR CB C 13 69.725 0.300 . 1 . . . . 31 THR CB . 11516 1 333 . 1 1 31 31 THR CG2 C 13 20.873 0.300 . 1 . . . . 31 THR CG2 . 11516 1 334 . 1 1 31 31 THR N N 15 101.282 0.300 . 1 . . . . 31 THR N . 11516 1 335 . 1 1 32 32 THR H H 1 6.820 0.030 . 1 . . . . 32 THR H . 11516 1 336 . 1 1 32 32 THR HA H 1 4.648 0.030 . 1 . . . . 32 THR HA . 11516 1 337 . 1 1 32 32 THR HB H 1 3.938 0.030 . 1 . . . . 32 THR HB . 11516 1 338 . 1 1 32 32 THR HG21 H 1 1.366 0.030 . 1 . . . . 32 THR HG2 . 11516 1 339 . 1 1 32 32 THR HG22 H 1 1.366 0.030 . 1 . . . . 32 THR HG2 . 11516 1 340 . 1 1 32 32 THR HG23 H 1 1.366 0.030 . 1 . . . . 32 THR HG2 . 11516 1 341 . 1 1 32 32 THR C C 13 174.875 0.300 . 1 . . . . 32 THR C . 11516 1 342 . 1 1 32 32 THR CA C 13 61.652 0.300 . 1 . . . . 32 THR CA . 11516 1 343 . 1 1 32 32 THR CB C 13 69.746 0.300 . 1 . . . . 32 THR CB . 11516 1 344 . 1 1 32 32 THR CG2 C 13 21.319 0.300 . 1 . . . . 32 THR CG2 . 11516 1 345 . 1 1 32 32 THR N N 15 115.354 0.300 . 1 . . . . 32 THR N . 11516 1 346 . 1 1 33 33 GLN H H 1 9.868 0.030 . 1 . . . . 33 GLN H . 11516 1 347 . 1 1 33 33 GLN HA H 1 3.586 0.030 . 1 . . . . 33 GLN HA . 11516 1 348 . 1 1 33 33 GLN HB2 H 1 2.420 0.030 . 2 . . . . 33 GLN HB2 . 11516 1 349 . 1 1 33 33 GLN HB3 H 1 2.257 0.030 . 2 . . . . 33 GLN HB3 . 11516 1 350 . 1 1 33 33 GLN HE21 H 1 7.767 0.030 . 2 . . . . 33 GLN HE21 . 11516 1 351 . 1 1 33 33 GLN HE22 H 1 6.814 0.030 . 2 . . . . 33 GLN HE22 . 11516 1 352 . 1 1 33 33 GLN HG2 H 1 2.261 0.030 . 2 . . . . 33 GLN HG2 . 11516 1 353 . 1 1 33 33 GLN HG3 H 1 2.082 0.030 . 2 . . . . 33 GLN HG3 . 11516 1 354 . 1 1 33 33 GLN C C 13 176.857 0.300 . 1 . . . . 33 GLN C . 11516 1 355 . 1 1 33 33 GLN CA C 13 61.455 0.300 . 1 . . . . 33 GLN CA . 11516 1 356 . 1 1 33 33 GLN CB C 13 29.126 0.300 . 1 . . . . 33 GLN CB . 11516 1 357 . 1 1 33 33 GLN CG C 13 34.045 0.300 . 1 . . . . 33 GLN CG . 11516 1 358 . 1 1 33 33 GLN N N 15 131.184 0.300 . 1 . . . . 33 GLN N . 11516 1 359 . 1 1 33 33 GLN NE2 N 15 111.969 0.300 . 1 . . . . 33 GLN NE2 . 11516 1 360 . 1 1 34 34 GLU H H 1 9.634 0.030 . 1 . . . . 34 GLU H . 11516 1 361 . 1 1 34 34 GLU HA H 1 4.004 0.030 . 1 . . . . 34 GLU HA . 11516 1 362 . 1 1 34 34 GLU HB2 H 1 2.064 0.030 . 2 . . . . 34 GLU HB2 . 11516 1 363 . 1 1 34 34 GLU HB3 H 1 1.993 0.030 . 2 . . . . 34 GLU HB3 . 11516 1 364 . 1 1 34 34 GLU HG2 H 1 2.366 0.030 . 1 . . . . 34 GLU HG2 . 11516 1 365 . 1 1 34 34 GLU HG3 H 1 2.366 0.030 . 1 . . . . 34 GLU HG3 . 11516 1 366 . 1 1 34 34 GLU C C 13 179.095 0.300 . 1 . . . . 34 GLU C . 11516 1 367 . 1 1 34 34 GLU CA C 13 60.252 0.300 . 1 . . . . 34 GLU CA . 11516 1 368 . 1 1 34 34 GLU CB C 13 29.280 0.300 . 1 . . . . 34 GLU CB . 11516 1 369 . 1 1 34 34 GLU CG C 13 36.676 0.300 . 1 . . . . 34 GLU CG . 11516 1 370 . 1 1 34 34 GLU N N 15 116.792 0.300 . 1 . . . . 34 GLU N . 11516 1 371 . 1 1 35 35 LEU H H 1 6.947 0.030 . 1 . . . . 35 LEU H . 11516 1 372 . 1 1 35 35 LEU HA H 1 4.540 0.030 . 1 . . . . 35 LEU HA . 11516 1 373 . 1 1 35 35 LEU HB2 H 1 2.325 0.030 . 2 . . . . 35 LEU HB2 . 11516 1 374 . 1 1 35 35 LEU HB3 H 1 1.648 0.030 . 2 . . . . 35 LEU HB3 . 11516 1 375 . 1 1 35 35 LEU HD11 H 1 0.812 0.030 . 1 . . . . 35 LEU HD1 . 11516 1 376 . 1 1 35 35 LEU HD12 H 1 0.812 0.030 . 1 . . . . 35 LEU HD1 . 11516 1 377 . 1 1 35 35 LEU HD13 H 1 0.812 0.030 . 1 . . . . 35 LEU HD1 . 11516 1 378 . 1 1 35 35 LEU HD21 H 1 0.902 0.030 . 1 . . . . 35 LEU HD2 . 11516 1 379 . 1 1 35 35 LEU HD22 H 1 0.902 0.030 . 1 . . . . 35 LEU HD2 . 11516 1 380 . 1 1 35 35 LEU HD23 H 1 0.902 0.030 . 1 . . . . 35 LEU HD2 . 11516 1 381 . 1 1 35 35 LEU HG H 1 1.621 0.030 . 1 . . . . 35 LEU HG . 11516 1 382 . 1 1 35 35 LEU C C 13 178.021 0.300 . 1 . . . . 35 LEU C . 11516 1 383 . 1 1 35 35 LEU CA C 13 57.124 0.300 . 1 . . . . 35 LEU CA . 11516 1 384 . 1 1 35 35 LEU CB C 13 40.598 0.300 . 1 . . . . 35 LEU CB . 11516 1 385 . 1 1 35 35 LEU CD1 C 13 25.454 0.300 . 2 . . . . 35 LEU CD1 . 11516 1 386 . 1 1 35 35 LEU CD2 C 13 21.868 0.300 . 2 . . . . 35 LEU CD2 . 11516 1 387 . 1 1 35 35 LEU CG C 13 27.485 0.300 . 1 . . . . 35 LEU CG . 11516 1 388 . 1 1 35 35 LEU N N 15 118.373 0.300 . 1 . . . . 35 LEU N . 11516 1 389 . 1 1 36 36 VAL H H 1 7.900 0.030 . 1 . . . . 36 VAL H . 11516 1 390 . 1 1 36 36 VAL HA H 1 3.349 0.030 . 1 . . . . 36 VAL HA . 11516 1 391 . 1 1 36 36 VAL HB H 1 1.735 0.030 . 1 . . . . 36 VAL HB . 11516 1 392 . 1 1 36 36 VAL HG11 H 1 0.479 0.030 . 1 . . . . 36 VAL HG1 . 11516 1 393 . 1 1 36 36 VAL HG12 H 1 0.479 0.030 . 1 . . . . 36 VAL HG1 . 11516 1 394 . 1 1 36 36 VAL HG13 H 1 0.479 0.030 . 1 . . . . 36 VAL HG1 . 11516 1 395 . 1 1 36 36 VAL HG21 H 1 1.012 0.030 . 1 . . . . 36 VAL HG2 . 11516 1 396 . 1 1 36 36 VAL HG22 H 1 1.012 0.030 . 1 . . . . 36 VAL HG2 . 11516 1 397 . 1 1 36 36 VAL HG23 H 1 1.012 0.030 . 1 . . . . 36 VAL HG2 . 11516 1 398 . 1 1 36 36 VAL C C 13 180.574 0.300 . 1 . . . . 36 VAL C . 11516 1 399 . 1 1 36 36 VAL CA C 13 64.769 0.300 . 1 . . . . 36 VAL CA . 11516 1 400 . 1 1 36 36 VAL CB C 13 31.683 0.300 . 1 . . . . 36 VAL CB . 11516 1 401 . 1 1 36 36 VAL CG1 C 13 21.692 0.300 . 2 . . . . 36 VAL CG1 . 11516 1 402 . 1 1 36 36 VAL CG2 C 13 22.797 0.300 . 2 . . . . 36 VAL CG2 . 11516 1 403 . 1 1 36 36 VAL N N 15 121.300 0.300 . 1 . . . . 36 VAL N . 11516 1 404 . 1 1 37 37 GLN H H 1 8.380 0.030 . 1 . . . . 37 GLN H . 11516 1 405 . 1 1 37 37 GLN HA H 1 4.150 0.030 . 1 . . . . 37 GLN HA . 11516 1 406 . 1 1 37 37 GLN HB2 H 1 2.087 0.030 . 2 . . . . 37 GLN HB2 . 11516 1 407 . 1 1 37 37 GLN HB3 H 1 1.953 0.030 . 2 . . . . 37 GLN HB3 . 11516 1 408 . 1 1 37 37 GLN HE21 H 1 7.343 0.030 . 2 . . . . 37 GLN HE21 . 11516 1 409 . 1 1 37 37 GLN HE22 H 1 6.931 0.030 . 2 . . . . 37 GLN HE22 . 11516 1 410 . 1 1 37 37 GLN HG2 H 1 2.501 0.030 . 2 . . . . 37 GLN HG2 . 11516 1 411 . 1 1 37 37 GLN HG3 H 1 2.381 0.030 . 2 . . . . 37 GLN HG3 . 11516 1 412 . 1 1 37 37 GLN C C 13 178.020 0.300 . 1 . . . . 37 GLN C . 11516 1 413 . 1 1 37 37 GLN CA C 13 58.474 0.300 . 1 . . . . 37 GLN CA . 11516 1 414 . 1 1 37 37 GLN CB C 13 28.288 0.300 . 1 . . . . 37 GLN CB . 11516 1 415 . 1 1 37 37 GLN CG C 13 34.158 0.300 . 1 . . . . 37 GLN CG . 11516 1 416 . 1 1 37 37 GLN N N 15 121.772 0.300 . 1 . . . . 37 GLN N . 11516 1 417 . 1 1 37 37 GLN NE2 N 15 110.447 0.300 . 1 . . . . 37 GLN NE2 . 11516 1 418 . 1 1 38 38 ALA H H 1 7.270 0.030 . 1 . . . . 38 ALA H . 11516 1 419 . 1 1 38 38 ALA HA H 1 4.041 0.030 . 1 . . . . 38 ALA HA . 11516 1 420 . 1 1 38 38 ALA HB1 H 1 1.615 0.030 . 1 . . . . 38 ALA HB . 11516 1 421 . 1 1 38 38 ALA HB2 H 1 1.615 0.030 . 1 . . . . 38 ALA HB . 11516 1 422 . 1 1 38 38 ALA HB3 H 1 1.615 0.030 . 1 . . . . 38 ALA HB . 11516 1 423 . 1 1 38 38 ALA C C 13 179.428 0.300 . 1 . . . . 38 ALA C . 11516 1 424 . 1 1 38 38 ALA CA C 13 55.218 0.300 . 1 . . . . 38 ALA CA . 11516 1 425 . 1 1 38 38 ALA CB C 13 17.717 0.300 . 1 . . . . 38 ALA CB . 11516 1 426 . 1 1 38 38 ALA N N 15 120.279 0.300 . 1 . . . . 38 ALA N . 11516 1 427 . 1 1 39 39 PHE H H 1 8.024 0.030 . 1 . . . . 39 PHE H . 11516 1 428 . 1 1 39 39 PHE HA H 1 4.901 0.030 . 1 . . . . 39 PHE HA . 11516 1 429 . 1 1 39 39 PHE HB2 H 1 2.978 0.030 . 2 . . . . 39 PHE HB2 . 11516 1 430 . 1 1 39 39 PHE HB3 H 1 2.579 0.030 . 2 . . . . 39 PHE HB3 . 11516 1 431 . 1 1 39 39 PHE HD1 H 1 7.196 0.030 . 1 . . . . 39 PHE HD1 . 11516 1 432 . 1 1 39 39 PHE HD2 H 1 7.196 0.030 . 1 . . . . 39 PHE HD2 . 11516 1 433 . 1 1 39 39 PHE HE1 H 1 6.984 0.030 . 1 . . . . 39 PHE HE1 . 11516 1 434 . 1 1 39 39 PHE HE2 H 1 6.984 0.030 . 1 . . . . 39 PHE HE2 . 11516 1 435 . 1 1 39 39 PHE HZ H 1 6.713 0.030 . 1 . . . . 39 PHE HZ . 11516 1 436 . 1 1 39 39 PHE C C 13 176.611 0.300 . 1 . . . . 39 PHE C . 11516 1 437 . 1 1 39 39 PHE CA C 13 58.564 0.300 . 1 . . . . 39 PHE CA . 11516 1 438 . 1 1 39 39 PHE CB C 13 38.161 0.300 . 1 . . . . 39 PHE CB . 11516 1 439 . 1 1 39 39 PHE CD1 C 13 134.163 0.300 . 1 . . . . 39 PHE CD1 . 11516 1 440 . 1 1 39 39 PHE CD2 C 13 134.163 0.300 . 1 . . . . 39 PHE CD2 . 11516 1 441 . 1 1 39 39 PHE CE1 C 13 132.220 0.300 . 1 . . . . 39 PHE CE1 . 11516 1 442 . 1 1 39 39 PHE CE2 C 13 132.220 0.300 . 1 . . . . 39 PHE CE2 . 11516 1 443 . 1 1 39 39 PHE CZ C 13 128.632 0.300 . 1 . . . . 39 PHE CZ . 11516 1 444 . 1 1 39 39 PHE N N 15 111.493 0.300 . 1 . . . . 39 PHE N . 11516 1 445 . 1 1 40 40 THR H H 1 7.276 0.030 . 1 . . . . 40 THR H . 11516 1 446 . 1 1 40 40 THR HA H 1 4.371 0.030 . 1 . . . . 40 THR HA . 11516 1 447 . 1 1 40 40 THR HB H 1 3.980 0.030 . 1 . . . . 40 THR HB . 11516 1 448 . 1 1 40 40 THR HG21 H 1 0.605 0.030 . 1 . . . . 40 THR HG2 . 11516 1 449 . 1 1 40 40 THR HG22 H 1 0.605 0.030 . 1 . . . . 40 THR HG2 . 11516 1 450 . 1 1 40 40 THR HG23 H 1 0.605 0.030 . 1 . . . . 40 THR HG2 . 11516 1 451 . 1 1 40 40 THR C C 13 174.598 0.300 . 1 . . . . 40 THR C . 11516 1 452 . 1 1 40 40 THR CA C 13 61.851 0.300 . 1 . . . . 40 THR CA . 11516 1 453 . 1 1 40 40 THR CB C 13 71.173 0.300 . 1 . . . . 40 THR CB . 11516 1 454 . 1 1 40 40 THR CG2 C 13 22.337 0.300 . 1 . . . . 40 THR CG2 . 11516 1 455 . 1 1 40 40 THR N N 15 110.263 0.300 . 1 . . . . 40 THR N . 11516 1 456 . 1 1 41 41 HIS H H 1 7.409 0.030 . 1 . . . . 41 HIS H . 11516 1 457 . 1 1 41 41 HIS HA H 1 4.122 0.030 . 1 . . . . 41 HIS HA . 11516 1 458 . 1 1 41 41 HIS HB2 H 1 3.439 0.030 . 2 . . . . 41 HIS HB2 . 11516 1 459 . 1 1 41 41 HIS HB3 H 1 3.308 0.030 . 2 . . . . 41 HIS HB3 . 11516 1 460 . 1 1 41 41 HIS HD2 H 1 7.058 0.030 . 1 . . . . 41 HIS HD2 . 11516 1 461 . 1 1 41 41 HIS HE1 H 1 8.373 0.030 . 1 . . . . 41 HIS HE1 . 11516 1 462 . 1 1 41 41 HIS C C 13 172.990 0.300 . 1 . . . . 41 HIS C . 11516 1 463 . 1 1 41 41 HIS CA C 13 56.242 0.300 . 1 . . . . 41 HIS CA . 11516 1 464 . 1 1 41 41 HIS CB C 13 26.246 0.300 . 1 . . . . 41 HIS CB . 11516 1 465 . 1 1 41 41 HIS CD2 C 13 119.861 0.300 . 1 . . . . 41 HIS CD2 . 11516 1 466 . 1 1 41 41 HIS CE1 C 13 136.594 0.300 . 1 . . . . 41 HIS CE1 . 11516 1 467 . 1 1 41 41 HIS N N 15 116.614 0.300 . 1 . . . . 41 HIS N . 11516 1 468 . 1 1 42 42 ALA H H 1 7.789 0.030 . 1 . . . . 42 ALA H . 11516 1 469 . 1 1 42 42 ALA HA H 1 4.782 0.030 . 1 . . . . 42 ALA HA . 11516 1 470 . 1 1 42 42 ALA HB1 H 1 1.247 0.030 . 1 . . . . 42 ALA HB . 11516 1 471 . 1 1 42 42 ALA HB2 H 1 1.247 0.030 . 1 . . . . 42 ALA HB . 11516 1 472 . 1 1 42 42 ALA HB3 H 1 1.247 0.030 . 1 . . . . 42 ALA HB . 11516 1 473 . 1 1 42 42 ALA C C 13 173.013 0.300 . 1 . . . . 42 ALA C . 11516 1 474 . 1 1 42 42 ALA CA C 13 50.333 0.300 . 1 . . . . 42 ALA CA . 11516 1 475 . 1 1 42 42 ALA CB C 13 20.014 0.300 . 1 . . . . 42 ALA CB . 11516 1 476 . 1 1 42 42 ALA N N 15 120.895 0.300 . 1 . . . . 42 ALA N . 11516 1 477 . 1 1 43 43 PRO HA H 1 4.174 0.030 . 1 . . . . 43 PRO HA . 11516 1 478 . 1 1 43 43 PRO HB2 H 1 2.256 0.030 . 2 . . . . 43 PRO HB2 . 11516 1 479 . 1 1 43 43 PRO HB3 H 1 1.686 0.030 . 2 . . . . 43 PRO HB3 . 11516 1 480 . 1 1 43 43 PRO HD2 H 1 3.725 0.030 . 2 . . . . 43 PRO HD2 . 11516 1 481 . 1 1 43 43 PRO HD3 H 1 3.498 0.030 . 2 . . . . 43 PRO HD3 . 11516 1 482 . 1 1 43 43 PRO HG2 H 1 2.007 0.030 . 2 . . . . 43 PRO HG2 . 11516 1 483 . 1 1 43 43 PRO HG3 H 1 1.868 0.030 . 2 . . . . 43 PRO HG3 . 11516 1 484 . 1 1 43 43 PRO C C 13 176.959 0.300 . 1 . . . . 43 PRO C . 11516 1 485 . 1 1 43 43 PRO CA C 13 63.259 0.300 . 1 . . . . 43 PRO CA . 11516 1 486 . 1 1 43 43 PRO CB C 13 32.395 0.300 . 1 . . . . 43 PRO CB . 11516 1 487 . 1 1 43 43 PRO CD C 13 50.470 0.300 . 1 . . . . 43 PRO CD . 11516 1 488 . 1 1 43 43 PRO CG C 13 27.899 0.300 . 1 . . . . 43 PRO CG . 11516 1 489 . 1 1 44 44 ALA H H 1 8.304 0.030 . 1 . . . . 44 ALA H . 11516 1 490 . 1 1 44 44 ALA HA H 1 5.007 0.030 . 1 . . . . 44 ALA HA . 11516 1 491 . 1 1 44 44 ALA HB1 H 1 1.282 0.030 . 1 . . . . 44 ALA HB . 11516 1 492 . 1 1 44 44 ALA HB2 H 1 1.282 0.030 . 1 . . . . 44 ALA HB . 11516 1 493 . 1 1 44 44 ALA HB3 H 1 1.282 0.030 . 1 . . . . 44 ALA HB . 11516 1 494 . 1 1 44 44 ALA C C 13 175.957 0.300 . 1 . . . . 44 ALA C . 11516 1 495 . 1 1 44 44 ALA CA C 13 51.424 0.300 . 1 . . . . 44 ALA CA . 11516 1 496 . 1 1 44 44 ALA CB C 13 23.098 0.300 . 1 . . . . 44 ALA CB . 11516 1 497 . 1 1 44 44 ALA N N 15 125.412 0.300 . 1 . . . . 44 ALA N . 11516 1 498 . 1 1 45 45 THR H H 1 8.543 0.030 . 1 . . . . 45 THR H . 11516 1 499 . 1 1 45 45 THR HA H 1 4.591 0.030 . 1 . . . . 45 THR HA . 11516 1 500 . 1 1 45 45 THR HB H 1 3.869 0.030 . 1 . . . . 45 THR HB . 11516 1 501 . 1 1 45 45 THR HG21 H 1 1.164 0.030 . 1 . . . . 45 THR HG2 . 11516 1 502 . 1 1 45 45 THR HG22 H 1 1.164 0.030 . 1 . . . . 45 THR HG2 . 11516 1 503 . 1 1 45 45 THR HG23 H 1 1.164 0.030 . 1 . . . . 45 THR HG2 . 11516 1 504 . 1 1 45 45 THR C C 13 173.407 0.300 . 1 . . . . 45 THR C . 11516 1 505 . 1 1 45 45 THR CA C 13 60.675 0.300 . 1 . . . . 45 THR CA . 11516 1 506 . 1 1 45 45 THR CB C 13 71.180 0.300 . 1 . . . . 45 THR CB . 11516 1 507 . 1 1 45 45 THR CG2 C 13 21.788 0.300 . 1 . . . . 45 THR CG2 . 11516 1 508 . 1 1 45 45 THR N N 15 114.551 0.300 . 1 . . . . 45 THR N . 11516 1 509 . 1 1 46 46 LEU H H 1 9.120 0.030 . 1 . . . . 46 LEU H . 11516 1 510 . 1 1 46 46 LEU HA H 1 5.044 0.030 . 1 . . . . 46 LEU HA . 11516 1 511 . 1 1 46 46 LEU HB2 H 1 1.631 0.030 . 1 . . . . 46 LEU HB2 . 11516 1 512 . 1 1 46 46 LEU HB3 H 1 1.631 0.030 . 1 . . . . 46 LEU HB3 . 11516 1 513 . 1 1 46 46 LEU HD11 H 1 0.844 0.030 . 1 . . . . 46 LEU HD1 . 11516 1 514 . 1 1 46 46 LEU HD12 H 1 0.844 0.030 . 1 . . . . 46 LEU HD1 . 11516 1 515 . 1 1 46 46 LEU HD13 H 1 0.844 0.030 . 1 . . . . 46 LEU HD1 . 11516 1 516 . 1 1 46 46 LEU HD21 H 1 0.761 0.030 . 1 . . . . 46 LEU HD2 . 11516 1 517 . 1 1 46 46 LEU HD22 H 1 0.761 0.030 . 1 . . . . 46 LEU HD2 . 11516 1 518 . 1 1 46 46 LEU HD23 H 1 0.761 0.030 . 1 . . . . 46 LEU HD2 . 11516 1 519 . 1 1 46 46 LEU HG H 1 1.717 0.030 . 1 . . . . 46 LEU HG . 11516 1 520 . 1 1 46 46 LEU C C 13 174.085 0.300 . 1 . . . . 46 LEU C . 11516 1 521 . 1 1 46 46 LEU CA C 13 56.403 0.300 . 1 . . . . 46 LEU CA . 11516 1 522 . 1 1 46 46 LEU CB C 13 46.027 0.300 . 1 . . . . 46 LEU CB . 11516 1 523 . 1 1 46 46 LEU CD1 C 13 26.876 0.300 . 2 . . . . 46 LEU CD1 . 11516 1 524 . 1 1 46 46 LEU CD2 C 13 26.769 0.300 . 2 . . . . 46 LEU CD2 . 11516 1 525 . 1 1 46 46 LEU CG C 13 28.017 0.300 . 1 . . . . 46 LEU CG . 11516 1 526 . 1 1 46 46 LEU N N 15 125.424 0.300 . 1 . . . . 46 LEU N . 11516 1 527 . 1 1 47 47 GLU H H 1 8.014 0.030 . 1 . . . . 47 GLU H . 11516 1 528 . 1 1 47 47 GLU HA H 1 4.603 0.030 . 1 . . . . 47 GLU HA . 11516 1 529 . 1 1 47 47 GLU HB2 H 1 2.206 0.030 . 2 . . . . 47 GLU HB2 . 11516 1 530 . 1 1 47 47 GLU HB3 H 1 2.160 0.030 . 2 . . . . 47 GLU HB3 . 11516 1 531 . 1 1 47 47 GLU HG2 H 1 2.309 0.030 . 2 . . . . 47 GLU HG2 . 11516 1 532 . 1 1 47 47 GLU HG3 H 1 2.203 0.030 . 2 . . . . 47 GLU HG3 . 11516 1 533 . 1 1 47 47 GLU C C 13 174.693 0.300 . 1 . . . . 47 GLU C . 11516 1 534 . 1 1 47 47 GLU CA C 13 55.018 0.300 . 1 . . . . 47 GLU CA . 11516 1 535 . 1 1 47 47 GLU CB C 13 30.993 0.300 . 1 . . . . 47 GLU CB . 11516 1 536 . 1 1 47 47 GLU CG C 13 35.760 0.300 . 1 . . . . 47 GLU CG . 11516 1 537 . 1 1 47 47 GLU N N 15 125.892 0.300 . 1 . . . . 47 GLU N . 11516 1 538 . 1 1 48 48 ALA H H 1 8.671 0.030 . 1 . . . . 48 ALA H . 11516 1 539 . 1 1 48 48 ALA HA H 1 4.136 0.030 . 1 . . . . 48 ALA HA . 11516 1 540 . 1 1 48 48 ALA HB1 H 1 1.103 0.030 . 1 . . . . 48 ALA HB . 11516 1 541 . 1 1 48 48 ALA HB2 H 1 1.103 0.030 . 1 . . . . 48 ALA HB . 11516 1 542 . 1 1 48 48 ALA HB3 H 1 1.103 0.030 . 1 . . . . 48 ALA HB . 11516 1 543 . 1 1 48 48 ALA C C 13 174.690 0.300 . 1 . . . . 48 ALA C . 11516 1 544 . 1 1 48 48 ALA CA C 13 50.813 0.300 . 1 . . . . 48 ALA CA . 11516 1 545 . 1 1 48 48 ALA CB C 13 16.806 0.300 . 1 . . . . 48 ALA CB . 11516 1 546 . 1 1 48 48 ALA N N 15 129.084 0.300 . 1 . . . . 48 ALA N . 11516 1 547 . 1 1 49 49 ASP H H 1 8.217 0.030 . 1 . . . . 49 ASP H . 11516 1 548 . 1 1 49 49 ASP HA H 1 4.703 0.030 . 1 . . . . 49 ASP HA . 11516 1 549 . 1 1 49 49 ASP HB2 H 1 2.480 0.030 . 1 . . . . 49 ASP HB2 . 11516 1 550 . 1 1 49 49 ASP HB3 H 1 2.480 0.030 . 1 . . . . 49 ASP HB3 . 11516 1 551 . 1 1 49 49 ASP C C 13 175.836 0.300 . 1 . . . . 49 ASP C . 11516 1 552 . 1 1 49 49 ASP CA C 13 52.194 0.300 . 1 . . . . 49 ASP CA . 11516 1 553 . 1 1 49 49 ASP CB C 13 43.833 0.300 . 1 . . . . 49 ASP CB . 11516 1 554 . 1 1 49 49 ASP N N 15 121.233 0.300 . 1 . . . . 49 ASP N . 11516 1 555 . 1 1 50 50 ARG H H 1 8.969 0.030 . 1 . . . . 50 ARG H . 11516 1 556 . 1 1 50 50 ARG HA H 1 3.774 0.030 . 1 . . . . 50 ARG HA . 11516 1 557 . 1 1 50 50 ARG HB2 H 1 1.841 0.030 . 1 . . . . 50 ARG HB2 . 11516 1 558 . 1 1 50 50 ARG HB3 H 1 1.841 0.030 . 1 . . . . 50 ARG HB3 . 11516 1 559 . 1 1 50 50 ARG HD2 H 1 3.363 0.030 . 1 . . . . 50 ARG HD2 . 11516 1 560 . 1 1 50 50 ARG HD3 H 1 3.363 0.030 . 1 . . . . 50 ARG HD3 . 11516 1 561 . 1 1 50 50 ARG HG2 H 1 1.823 0.030 . 2 . . . . 50 ARG HG2 . 11516 1 562 . 1 1 50 50 ARG HG3 H 1 1.527 0.030 . 2 . . . . 50 ARG HG3 . 11516 1 563 . 1 1 50 50 ARG C C 13 177.627 0.300 . 1 . . . . 50 ARG C . 11516 1 564 . 1 1 50 50 ARG CA C 13 59.234 0.300 . 1 . . . . 50 ARG CA . 11516 1 565 . 1 1 50 50 ARG CB C 13 29.541 0.300 . 1 . . . . 50 ARG CB . 11516 1 566 . 1 1 50 50 ARG CD C 13 43.671 0.300 . 1 . . . . 50 ARG CD . 11516 1 567 . 1 1 50 50 ARG CG C 13 28.086 0.300 . 1 . . . . 50 ARG CG . 11516 1 568 . 1 1 50 50 ARG N N 15 123.343 0.300 . 1 . . . . 50 ARG N . 11516 1 569 . 1 1 51 51 GLY H H 1 9.197 0.030 . 1 . . . . 51 GLY H . 11516 1 570 . 1 1 51 51 GLY HA2 H 1 4.247 0.030 . 2 . . . . 51 GLY HA2 . 11516 1 571 . 1 1 51 51 GLY HA3 H 1 3.902 0.030 . 2 . . . . 51 GLY HA3 . 11516 1 572 . 1 1 51 51 GLY C C 13 174.282 0.300 . 1 . . . . 51 GLY C . 11516 1 573 . 1 1 51 51 GLY CA C 13 45.445 0.300 . 1 . . . . 51 GLY CA . 11516 1 574 . 1 1 51 51 GLY N N 15 116.957 0.300 . 1 . . . . 51 GLY N . 11516 1 575 . 1 1 52 52 GLY H H 1 8.964 0.030 . 1 . . . . 52 GLY H . 11516 1 576 . 1 1 52 52 GLY HA2 H 1 4.437 0.030 . 2 . . . . 52 GLY HA2 . 11516 1 577 . 1 1 52 52 GLY HA3 H 1 4.166 0.030 . 2 . . . . 52 GLY HA3 . 11516 1 578 . 1 1 52 52 GLY C C 13 173.142 0.300 . 1 . . . . 52 GLY C . 11516 1 579 . 1 1 52 52 GLY CA C 13 45.512 0.300 . 1 . . . . 52 GLY CA . 11516 1 580 . 1 1 52 52 GLY N N 15 111.147 0.300 . 1 . . . . 52 GLY N . 11516 1 581 . 1 1 53 53 LYS H H 1 8.723 0.030 . 1 . . . . 53 LYS H . 11516 1 582 . 1 1 53 53 LYS HA H 1 4.916 0.030 . 1 . . . . 53 LYS HA . 11516 1 583 . 1 1 53 53 LYS HB2 H 1 1.789 0.030 . 1 . . . . 53 LYS HB2 . 11516 1 584 . 1 1 53 53 LYS HB3 H 1 1.789 0.030 . 1 . . . . 53 LYS HB3 . 11516 1 585 . 1 1 53 53 LYS HD2 H 1 1.585 0.030 . 2 . . . . 53 LYS HD2 . 11516 1 586 . 1 1 53 53 LYS HD3 H 1 1.473 0.030 . 2 . . . . 53 LYS HD3 . 11516 1 587 . 1 1 53 53 LYS HE2 H 1 2.968 0.030 . 2 . . . . 53 LYS HE2 . 11516 1 588 . 1 1 53 53 LYS HG2 H 1 1.637 0.030 . 1 . . . . 53 LYS HG2 . 11516 1 589 . 1 1 53 53 LYS HG3 H 1 1.637 0.030 . 1 . . . . 53 LYS HG3 . 11516 1 590 . 1 1 53 53 LYS C C 13 177.321 0.300 . 1 . . . . 53 LYS C . 11516 1 591 . 1 1 53 53 LYS CA C 13 55.098 0.300 . 1 . . . . 53 LYS CA . 11516 1 592 . 1 1 53 53 LYS CB C 13 34.627 0.300 . 1 . . . . 53 LYS CB . 11516 1 593 . 1 1 53 53 LYS CD C 13 25.766 0.300 . 1 . . . . 53 LYS CD . 11516 1 594 . 1 1 53 53 LYS CE C 13 42.179 0.300 . 1 . . . . 53 LYS CE . 11516 1 595 . 1 1 53 53 LYS CG C 13 28.647 0.300 . 1 . . . . 53 LYS CG . 11516 1 596 . 1 1 53 53 LYS N N 15 122.152 0.300 . 1 . . . . 53 LYS N . 11516 1 597 . 1 1 54 54 PHE H H 1 7.482 0.030 . 1 . . . . 54 PHE H . 11516 1 598 . 1 1 54 54 PHE HA H 1 5.562 0.030 . 1 . . . . 54 PHE HA . 11516 1 599 . 1 1 54 54 PHE HB2 H 1 2.892 0.030 . 1 . . . . 54 PHE HB2 . 11516 1 600 . 1 1 54 54 PHE HB3 H 1 2.892 0.030 . 1 . . . . 54 PHE HB3 . 11516 1 601 . 1 1 54 54 PHE HD1 H 1 6.270 0.030 . 1 . . . . 54 PHE HD1 . 11516 1 602 . 1 1 54 54 PHE HD2 H 1 6.270 0.030 . 1 . . . . 54 PHE HD2 . 11516 1 603 . 1 1 54 54 PHE HE1 H 1 6.542 0.030 . 1 . . . . 54 PHE HE1 . 11516 1 604 . 1 1 54 54 PHE HE2 H 1 6.542 0.030 . 1 . . . . 54 PHE HE2 . 11516 1 605 . 1 1 54 54 PHE HZ H 1 7.533 0.030 . 1 . . . . 54 PHE HZ . 11516 1 606 . 1 1 54 54 PHE C C 13 173.674 0.300 . 1 . . . . 54 PHE C . 11516 1 607 . 1 1 54 54 PHE CA C 13 55.466 0.300 . 1 . . . . 54 PHE CA . 11516 1 608 . 1 1 54 54 PHE CB C 13 43.056 0.300 . 1 . . . . 54 PHE CB . 11516 1 609 . 1 1 54 54 PHE CD1 C 13 132.216 0.300 . 1 . . . . 54 PHE CD1 . 11516 1 610 . 1 1 54 54 PHE CD2 C 13 132.216 0.300 . 1 . . . . 54 PHE CD2 . 11516 1 611 . 1 1 54 54 PHE CE1 C 13 129.843 0.300 . 1 . . . . 54 PHE CE1 . 11516 1 612 . 1 1 54 54 PHE CE2 C 13 129.843 0.300 . 1 . . . . 54 PHE CE2 . 11516 1 613 . 1 1 54 54 PHE CZ C 13 130.339 0.300 . 1 . . . . 54 PHE CZ . 11516 1 614 . 1 1 54 54 PHE N N 15 113.950 0.300 . 1 . . . . 54 PHE N . 11516 1 615 . 1 1 55 55 HIS H H 1 8.821 0.030 . 1 . . . . 55 HIS H . 11516 1 616 . 1 1 55 55 HIS HA H 1 4.909 0.030 . 1 . . . . 55 HIS HA . 11516 1 617 . 1 1 55 55 HIS HB2 H 1 3.014 0.030 . 2 . . . . 55 HIS HB2 . 11516 1 618 . 1 1 55 55 HIS HB3 H 1 2.854 0.030 . 2 . . . . 55 HIS HB3 . 11516 1 619 . 1 1 55 55 HIS HD2 H 1 6.821 0.030 . 1 . . . . 55 HIS HD2 . 11516 1 620 . 1 1 55 55 HIS HE1 H 1 7.587 0.030 . 1 . . . . 55 HIS HE1 . 11516 1 621 . 1 1 55 55 HIS C C 13 174.071 0.300 . 1 . . . . 55 HIS C . 11516 1 622 . 1 1 55 55 HIS CA C 13 56.749 0.300 . 1 . . . . 55 HIS CA . 11516 1 623 . 1 1 55 55 HIS CB C 13 33.691 0.300 . 1 . . . . 55 HIS CB . 11516 1 624 . 1 1 55 55 HIS CD2 C 13 119.724 0.300 . 1 . . . . 55 HIS CD2 . 11516 1 625 . 1 1 55 55 HIS CE1 C 13 138.468 0.300 . 1 . . . . 55 HIS CE1 . 11516 1 626 . 1 1 55 55 HIS N N 15 120.280 0.300 . 1 . . . . 55 HIS N . 11516 1 627 . 1 1 56 56 MET H H 1 9.073 0.030 . 1 . . . . 56 MET H . 11516 1 628 . 1 1 56 56 MET HA H 1 4.897 0.030 . 1 . . . . 56 MET HA . 11516 1 629 . 1 1 56 56 MET HB2 H 1 2.044 0.030 . 2 . . . . 56 MET HB2 . 11516 1 630 . 1 1 56 56 MET HB3 H 1 1.752 0.030 . 2 . . . . 56 MET HB3 . 11516 1 631 . 1 1 56 56 MET HE1 H 1 1.480 0.030 . 1 . . . . 56 MET HE . 11516 1 632 . 1 1 56 56 MET HE2 H 1 1.480 0.030 . 1 . . . . 56 MET HE . 11516 1 633 . 1 1 56 56 MET HE3 H 1 1.480 0.030 . 1 . . . . 56 MET HE . 11516 1 634 . 1 1 56 56 MET HG2 H 1 2.317 0.030 . 2 . . . . 56 MET HG2 . 11516 1 635 . 1 1 56 56 MET HG3 H 1 2.032 0.030 . 2 . . . . 56 MET HG3 . 11516 1 636 . 1 1 56 56 MET C C 13 174.759 0.300 . 1 . . . . 56 MET C . 11516 1 637 . 1 1 56 56 MET CA C 13 54.743 0.300 . 1 . . . . 56 MET CA . 11516 1 638 . 1 1 56 56 MET CB C 13 38.602 0.300 . 1 . . . . 56 MET CB . 11516 1 639 . 1 1 56 56 MET CE C 13 16.399 0.300 . 1 . . . . 56 MET CE . 11516 1 640 . 1 1 56 56 MET CG C 13 30.894 0.300 . 1 . . . . 56 MET CG . 11516 1 641 . 1 1 56 56 MET N N 15 120.536 0.300 . 1 . . . . 56 MET N . 11516 1 642 . 1 1 57 57 VAL H H 1 9.888 0.030 . 1 . . . . 57 VAL H . 11516 1 643 . 1 1 57 57 VAL HA H 1 2.972 0.030 . 1 . . . . 57 VAL HA . 11516 1 644 . 1 1 57 57 VAL HB H 1 2.110 0.030 . 1 . . . . 57 VAL HB . 11516 1 645 . 1 1 57 57 VAL HG11 H 1 0.643 0.030 . 1 . . . . 57 VAL HG1 . 11516 1 646 . 1 1 57 57 VAL HG12 H 1 0.643 0.030 . 1 . . . . 57 VAL HG1 . 11516 1 647 . 1 1 57 57 VAL HG13 H 1 0.643 0.030 . 1 . . . . 57 VAL HG1 . 11516 1 648 . 1 1 57 57 VAL HG21 H 1 0.293 0.030 . 1 . . . . 57 VAL HG2 . 11516 1 649 . 1 1 57 57 VAL HG22 H 1 0.293 0.030 . 1 . . . . 57 VAL HG2 . 11516 1 650 . 1 1 57 57 VAL HG23 H 1 0.293 0.030 . 1 . . . . 57 VAL HG2 . 11516 1 651 . 1 1 57 57 VAL C C 13 176.424 0.300 . 1 . . . . 57 VAL C . 11516 1 652 . 1 1 57 57 VAL CA C 13 62.492 0.300 . 1 . . . . 57 VAL CA . 11516 1 653 . 1 1 57 57 VAL CB C 13 29.331 0.300 . 1 . . . . 57 VAL CB . 11516 1 654 . 1 1 57 57 VAL CG1 C 13 22.491 0.300 . 2 . . . . 57 VAL CG1 . 11516 1 655 . 1 1 57 57 VAL CG2 C 13 20.736 0.300 . 2 . . . . 57 VAL CG2 . 11516 1 656 . 1 1 57 57 VAL N N 15 117.405 0.300 . 1 . . . . 57 VAL N . 11516 1 657 . 1 1 58 58 ASP H H 1 8.072 0.030 . 1 . . . . 58 ASP H . 11516 1 658 . 1 1 58 58 ASP HA H 1 4.151 0.030 . 1 . . . . 58 ASP HA . 11516 1 659 . 1 1 58 58 ASP HB2 H 1 2.976 0.030 . 2 . . . . 58 ASP HB2 . 11516 1 660 . 1 1 58 58 ASP HB3 H 1 2.412 0.030 . 2 . . . . 58 ASP HB3 . 11516 1 661 . 1 1 58 58 ASP C C 13 175.657 0.300 . 1 . . . . 58 ASP C . 11516 1 662 . 1 1 58 58 ASP CA C 13 55.363 0.300 . 1 . . . . 58 ASP CA . 11516 1 663 . 1 1 58 58 ASP CB C 13 39.898 0.300 . 1 . . . . 58 ASP CB . 11516 1 664 . 1 1 58 58 ASP N N 15 119.703 0.300 . 1 . . . . 58 ASP N . 11516 1 665 . 1 1 59 59 GLY H H 1 7.639 0.030 . 1 . . . . 59 GLY H . 11516 1 666 . 1 1 59 59 GLY HA2 H 1 3.989 0.030 . 2 . . . . 59 GLY HA2 . 11516 1 667 . 1 1 59 59 GLY HA3 H 1 2.949 0.030 . 2 . . . . 59 GLY HA3 . 11516 1 668 . 1 1 59 59 GLY C C 13 174.434 0.300 . 1 . . . . 59 GLY C . 11516 1 669 . 1 1 59 59 GLY CA C 13 45.147 0.300 . 1 . . . . 59 GLY CA . 11516 1 670 . 1 1 59 59 GLY N N 15 104.518 0.300 . 1 . . . . 59 GLY N . 11516 1 671 . 1 1 60 60 ASN H H 1 8.027 0.030 . 1 . . . . 60 ASN H . 11516 1 672 . 1 1 60 60 ASN HA H 1 4.480 0.030 . 1 . . . . 60 ASN HA . 11516 1 673 . 1 1 60 60 ASN HB2 H 1 2.998 0.030 . 2 . . . . 60 ASN HB2 . 11516 1 674 . 1 1 60 60 ASN HB3 H 1 2.639 0.030 . 2 . . . . 60 ASN HB3 . 11516 1 675 . 1 1 60 60 ASN HD21 H 1 7.250 0.030 . 2 . . . . 60 ASN HD21 . 11516 1 676 . 1 1 60 60 ASN HD22 H 1 7.108 0.030 . 2 . . . . 60 ASN HD22 . 11516 1 677 . 1 1 60 60 ASN C C 13 174.082 0.300 . 1 . . . . 60 ASN C . 11516 1 678 . 1 1 60 60 ASN CA C 13 55.808 0.300 . 1 . . . . 60 ASN CA . 11516 1 679 . 1 1 60 60 ASN CB C 13 39.728 0.300 . 1 . . . . 60 ASN CB . 11516 1 680 . 1 1 60 60 ASN N N 15 118.439 0.300 . 1 . . . . 60 ASN N . 11516 1 681 . 1 1 60 60 ASN ND2 N 15 113.725 0.300 . 1 . . . . 60 ASN ND2 . 11516 1 682 . 1 1 61 61 VAL H H 1 7.566 0.030 . 1 . . . . 61 VAL H . 11516 1 683 . 1 1 61 61 VAL HA H 1 4.193 0.030 . 1 . . . . 61 VAL HA . 11516 1 684 . 1 1 61 61 VAL HB H 1 1.220 0.030 . 1 . . . . 61 VAL HB . 11516 1 685 . 1 1 61 61 VAL HG11 H 1 0.335 0.030 . 1 . . . . 61 VAL HG1 . 11516 1 686 . 1 1 61 61 VAL HG12 H 1 0.335 0.030 . 1 . . . . 61 VAL HG1 . 11516 1 687 . 1 1 61 61 VAL HG13 H 1 0.335 0.030 . 1 . . . . 61 VAL HG1 . 11516 1 688 . 1 1 61 61 VAL HG21 H 1 0.424 0.030 . 1 . . . . 61 VAL HG2 . 11516 1 689 . 1 1 61 61 VAL HG22 H 1 0.424 0.030 . 1 . . . . 61 VAL HG2 . 11516 1 690 . 1 1 61 61 VAL HG23 H 1 0.424 0.030 . 1 . . . . 61 VAL HG2 . 11516 1 691 . 1 1 61 61 VAL C C 13 173.884 0.300 . 1 . . . . 61 VAL C . 11516 1 692 . 1 1 61 61 VAL CA C 13 60.378 0.300 . 1 . . . . 61 VAL CA . 11516 1 693 . 1 1 61 61 VAL CB C 13 34.950 0.300 . 1 . . . . 61 VAL CB . 11516 1 694 . 1 1 61 61 VAL CG1 C 13 21.397 0.300 . 2 . . . . 61 VAL CG1 . 11516 1 695 . 1 1 61 61 VAL CG2 C 13 21.401 0.300 . 2 . . . . 61 VAL CG2 . 11516 1 696 . 1 1 61 61 VAL N N 15 117.986 0.300 . 1 . . . . 61 VAL N . 11516 1 697 . 1 1 62 62 SER H H 1 7.891 0.030 . 1 . . . . 62 SER H . 11516 1 698 . 1 1 62 62 SER HA H 1 4.627 0.030 . 1 . . . . 62 SER HA . 11516 1 699 . 1 1 62 62 SER HB2 H 1 3.632 0.030 . 1 . . . . 62 SER HB2 . 11516 1 700 . 1 1 62 62 SER HB3 H 1 3.632 0.030 . 1 . . . . 62 SER HB3 . 11516 1 701 . 1 1 62 62 SER C C 13 171.032 0.300 . 1 . . . . 62 SER C . 11516 1 702 . 1 1 62 62 SER CA C 13 57.024 0.300 . 1 . . . . 62 SER CA . 11516 1 703 . 1 1 62 62 SER CB C 13 66.161 0.300 . 1 . . . . 62 SER CB . 11516 1 704 . 1 1 62 62 SER N N 15 118.746 0.300 . 1 . . . . 62 SER N . 11516 1 705 . 1 1 63 63 GLY H H 1 6.850 0.030 . 1 . . . . 63 GLY H . 11516 1 706 . 1 1 63 63 GLY HA2 H 1 4.278 0.030 . 2 . . . . 63 GLY HA2 . 11516 1 707 . 1 1 63 63 GLY HA3 H 1 3.281 0.030 . 2 . . . . 63 GLY HA3 . 11516 1 708 . 1 1 63 63 GLY C C 13 172.397 0.300 . 1 . . . . 63 GLY C . 11516 1 709 . 1 1 63 63 GLY CA C 13 45.785 0.300 . 1 . . . . 63 GLY CA . 11516 1 710 . 1 1 63 63 GLY N N 15 102.993 0.300 . 1 . . . . 63 GLY N . 11516 1 711 . 1 1 64 64 GLU H H 1 8.266 0.030 . 1 . . . . 64 GLU H . 11516 1 712 . 1 1 64 64 GLU HA H 1 5.162 0.030 . 1 . . . . 64 GLU HA . 11516 1 713 . 1 1 64 64 GLU HB2 H 1 1.613 0.030 . 2 . . . . 64 GLU HB2 . 11516 1 714 . 1 1 64 64 GLU HB3 H 1 1.551 0.030 . 2 . . . . 64 GLU HB3 . 11516 1 715 . 1 1 64 64 GLU HG2 H 1 1.809 0.030 . 2 . . . . 64 GLU HG2 . 11516 1 716 . 1 1 64 64 GLU HG3 H 1 1.767 0.030 . 2 . . . . 64 GLU HG3 . 11516 1 717 . 1 1 64 64 GLU C C 13 175.703 0.300 . 1 . . . . 64 GLU C . 11516 1 718 . 1 1 64 64 GLU CA C 13 53.887 0.300 . 1 . . . . 64 GLU CA . 11516 1 719 . 1 1 64 64 GLU CB C 13 34.493 0.300 . 1 . . . . 64 GLU CB . 11516 1 720 . 1 1 64 64 GLU CG C 13 35.646 0.300 . 1 . . . . 64 GLU CG . 11516 1 721 . 1 1 64 64 GLU N N 15 120.273 0.300 . 1 . . . . 64 GLU N . 11516 1 722 . 1 1 65 65 PHE H H 1 9.504 0.030 . 1 . . . . 65 PHE H . 11516 1 723 . 1 1 65 65 PHE HA H 1 4.960 0.030 . 1 . . . . 65 PHE HA . 11516 1 724 . 1 1 65 65 PHE HB2 H 1 3.656 0.030 . 2 . . . . 65 PHE HB2 . 11516 1 725 . 1 1 65 65 PHE HB3 H 1 2.886 0.030 . 2 . . . . 65 PHE HB3 . 11516 1 726 . 1 1 65 65 PHE HD1 H 1 7.590 0.030 . 1 . . . . 65 PHE HD1 . 11516 1 727 . 1 1 65 65 PHE HD2 H 1 7.590 0.030 . 1 . . . . 65 PHE HD2 . 11516 1 728 . 1 1 65 65 PHE HE1 H 1 7.059 0.030 . 1 . . . . 65 PHE HE1 . 11516 1 729 . 1 1 65 65 PHE HE2 H 1 7.059 0.030 . 1 . . . . 65 PHE HE2 . 11516 1 730 . 1 1 65 65 PHE HZ H 1 7.066 0.030 . 1 . . . . 65 PHE HZ . 11516 1 731 . 1 1 65 65 PHE C C 13 176.283 0.300 . 1 . . . . 65 PHE C . 11516 1 732 . 1 1 65 65 PHE CA C 13 59.185 0.300 . 1 . . . . 65 PHE CA . 11516 1 733 . 1 1 65 65 PHE CB C 13 39.789 0.300 . 1 . . . . 65 PHE CB . 11516 1 734 . 1 1 65 65 PHE CD1 C 13 132.990 0.300 . 1 . . . . 65 PHE CD1 . 11516 1 735 . 1 1 65 65 PHE CD2 C 13 132.990 0.300 . 1 . . . . 65 PHE CD2 . 11516 1 736 . 1 1 65 65 PHE CE1 C 13 130.853 0.300 . 1 . . . . 65 PHE CE1 . 11516 1 737 . 1 1 65 65 PHE CE2 C 13 130.853 0.300 . 1 . . . . 65 PHE CE2 . 11516 1 738 . 1 1 65 65 PHE CZ C 13 128.904 0.300 . 1 . . . . 65 PHE CZ . 11516 1 739 . 1 1 65 65 PHE N N 15 123.906 0.300 . 1 . . . . 65 PHE N . 11516 1 740 . 1 1 66 66 THR H H 1 9.600 0.030 . 1 . . . . 66 THR H . 11516 1 741 . 1 1 66 66 THR HA H 1 4.718 0.030 . 1 . . . . 66 THR HA . 11516 1 742 . 1 1 66 66 THR HB H 1 4.111 0.030 . 1 . . . . 66 THR HB . 11516 1 743 . 1 1 66 66 THR HG21 H 1 1.139 0.030 . 1 . . . . 66 THR HG2 . 11516 1 744 . 1 1 66 66 THR HG22 H 1 1.139 0.030 . 1 . . . . 66 THR HG2 . 11516 1 745 . 1 1 66 66 THR HG23 H 1 1.139 0.030 . 1 . . . . 66 THR HG2 . 11516 1 746 . 1 1 66 66 THR C C 13 175.026 0.300 . 1 . . . . 66 THR C . 11516 1 747 . 1 1 66 66 THR CA C 13 62.946 0.300 . 1 . . . . 66 THR CA . 11516 1 748 . 1 1 66 66 THR CB C 13 68.938 0.300 . 1 . . . . 66 THR CB . 11516 1 749 . 1 1 66 66 THR CG2 C 13 22.144 0.300 . 1 . . . . 66 THR CG2 . 11516 1 750 . 1 1 66 66 THR N N 15 117.625 0.300 . 1 . . . . 66 THR N . 11516 1 751 . 1 1 67 67 ASP H H 1 8.071 0.030 . 1 . . . . 67 ASP H . 11516 1 752 . 1 1 67 67 ASP HA H 1 4.910 0.030 . 1 . . . . 67 ASP HA . 11516 1 753 . 1 1 67 67 ASP HB2 H 1 2.724 0.030 . 2 . . . . 67 ASP HB2 . 11516 1 754 . 1 1 67 67 ASP HB3 H 1 2.475 0.030 . 2 . . . . 67 ASP HB3 . 11516 1 755 . 1 1 67 67 ASP C C 13 174.137 0.300 . 1 . . . . 67 ASP C . 11516 1 756 . 1 1 67 67 ASP CA C 13 55.399 0.300 . 1 . . . . 67 ASP CA . 11516 1 757 . 1 1 67 67 ASP CB C 13 44.200 0.300 . 1 . . . . 67 ASP CB . 11516 1 758 . 1 1 67 67 ASP N N 15 119.701 0.300 . 1 . . . . 67 ASP N . 11516 1 759 . 1 1 68 68 LEU H H 1 8.279 0.030 . 1 . . . . 68 LEU H . 11516 1 760 . 1 1 68 68 LEU HA H 1 4.911 0.030 . 1 . . . . 68 LEU HA . 11516 1 761 . 1 1 68 68 LEU HB2 H 1 1.793 0.030 . 2 . . . . 68 LEU HB2 . 11516 1 762 . 1 1 68 68 LEU HB3 H 1 1.615 0.030 . 2 . . . . 68 LEU HB3 . 11516 1 763 . 1 1 68 68 LEU HD11 H 1 0.471 0.030 . 1 . . . . 68 LEU HD1 . 11516 1 764 . 1 1 68 68 LEU HD12 H 1 0.471 0.030 . 1 . . . . 68 LEU HD1 . 11516 1 765 . 1 1 68 68 LEU HD13 H 1 0.471 0.030 . 1 . . . . 68 LEU HD1 . 11516 1 766 . 1 1 68 68 LEU HD21 H 1 0.586 0.030 . 1 . . . . 68 LEU HD2 . 11516 1 767 . 1 1 68 68 LEU HD22 H 1 0.586 0.030 . 1 . . . . 68 LEU HD2 . 11516 1 768 . 1 1 68 68 LEU HD23 H 1 0.586 0.030 . 1 . . . . 68 LEU HD2 . 11516 1 769 . 1 1 68 68 LEU HG H 1 1.414 0.030 . 1 . . . . 68 LEU HG . 11516 1 770 . 1 1 68 68 LEU C C 13 175.220 0.300 . 1 . . . . 68 LEU C . 11516 1 771 . 1 1 68 68 LEU CA C 13 55.125 0.300 . 1 . . . . 68 LEU CA . 11516 1 772 . 1 1 68 68 LEU CB C 13 44.415 0.300 . 1 . . . . 68 LEU CB . 11516 1 773 . 1 1 68 68 LEU CD1 C 13 25.380 0.300 . 2 . . . . 68 LEU CD1 . 11516 1 774 . 1 1 68 68 LEU CD2 C 13 25.036 0.300 . 2 . . . . 68 LEU CD2 . 11516 1 775 . 1 1 68 68 LEU CG C 13 27.236 0.300 . 1 . . . . 68 LEU CG . 11516 1 776 . 1 1 68 68 LEU N N 15 125.015 0.300 . 1 . . . . 68 LEU N . 11516 1 777 . 1 1 69 69 VAL H H 1 8.761 0.030 . 1 . . . . 69 VAL H . 11516 1 778 . 1 1 69 69 VAL HA H 1 4.451 0.030 . 1 . . . . 69 VAL HA . 11516 1 779 . 1 1 69 69 VAL HB H 1 1.547 0.030 . 1 . . . . 69 VAL HB . 11516 1 780 . 1 1 69 69 VAL HG11 H 1 0.793 0.030 . 1 . . . . 69 VAL HG1 . 11516 1 781 . 1 1 69 69 VAL HG12 H 1 0.793 0.030 . 1 . . . . 69 VAL HG1 . 11516 1 782 . 1 1 69 69 VAL HG13 H 1 0.793 0.030 . 1 . . . . 69 VAL HG1 . 11516 1 783 . 1 1 69 69 VAL HG21 H 1 0.776 0.030 . 1 . . . . 69 VAL HG2 . 11516 1 784 . 1 1 69 69 VAL HG22 H 1 0.776 0.030 . 1 . . . . 69 VAL HG2 . 11516 1 785 . 1 1 69 69 VAL HG23 H 1 0.776 0.030 . 1 . . . . 69 VAL HG2 . 11516 1 786 . 1 1 69 69 VAL C C 13 172.843 0.300 . 1 . . . . 69 VAL C . 11516 1 787 . 1 1 69 69 VAL CA C 13 59.451 0.300 . 1 . . . . 69 VAL CA . 11516 1 788 . 1 1 69 69 VAL CB C 13 33.047 0.300 . 1 . . . . 69 VAL CB . 11516 1 789 . 1 1 69 69 VAL CG1 C 13 21.056 0.300 . 2 . . . . 69 VAL CG1 . 11516 1 790 . 1 1 69 69 VAL CG2 C 13 21.296 0.300 . 2 . . . . 69 VAL CG2 . 11516 1 791 . 1 1 69 69 VAL N N 15 124.917 0.300 . 1 . . . . 69 VAL N . 11516 1 792 . 1 1 70 70 PRO HA H 1 2.430 0.030 . 1 . . . . 70 PRO HA . 11516 1 793 . 1 1 70 70 PRO HB2 H 1 1.850 0.030 . 2 . . . . 70 PRO HB2 . 11516 1 794 . 1 1 70 70 PRO HB3 H 1 1.555 0.030 . 2 . . . . 70 PRO HB3 . 11516 1 795 . 1 1 70 70 PRO HD2 H 1 3.641 0.030 . 2 . . . . 70 PRO HD2 . 11516 1 796 . 1 1 70 70 PRO HD3 H 1 3.558 0.030 . 2 . . . . 70 PRO HD3 . 11516 1 797 . 1 1 70 70 PRO HG2 H 1 1.990 0.030 . 2 . . . . 70 PRO HG2 . 11516 1 798 . 1 1 70 70 PRO HG3 H 1 1.762 0.030 . 2 . . . . 70 PRO HG3 . 11516 1 799 . 1 1 70 70 PRO CA C 13 63.963 0.300 . 1 . . . . 70 PRO CA . 11516 1 800 . 1 1 70 70 PRO CB C 13 31.743 0.300 . 1 . . . . 70 PRO CB . 11516 1 801 . 1 1 70 70 PRO CD C 13 51.354 0.300 . 1 . . . . 70 PRO CD . 11516 1 802 . 1 1 70 70 PRO CG C 13 26.966 0.300 . 1 . . . . 70 PRO CG . 11516 1 803 . 1 1 71 71 GLU H H 1 7.593 0.030 . 1 . . . . 71 GLU H . 11516 1 804 . 1 1 71 71 GLU HA H 1 2.602 0.030 . 1 . . . . 71 GLU HA . 11516 1 805 . 1 1 71 71 GLU HB2 H 1 2.167 0.030 . 2 . . . . 71 GLU HB2 . 11516 1 806 . 1 1 71 71 GLU HB3 H 1 1.891 0.030 . 2 . . . . 71 GLU HB3 . 11516 1 807 . 1 1 71 71 GLU HG2 H 1 1.770 0.030 . 2 . . . . 71 GLU HG2 . 11516 1 808 . 1 1 71 71 GLU HG3 H 1 1.668 0.030 . 2 . . . . 71 GLU HG3 . 11516 1 809 . 1 1 71 71 GLU C C 13 173.142 0.300 . 1 . . . . 71 GLU C . 11516 1 810 . 1 1 71 71 GLU CA C 13 59.247 0.300 . 1 . . . . 71 GLU CA . 11516 1 811 . 1 1 71 71 GLU CB C 13 28.167 0.300 . 1 . . . . 71 GLU CB . 11516 1 812 . 1 1 71 71 GLU CG C 13 37.091 0.300 . 1 . . . . 71 GLU CG . 11516 1 813 . 1 1 71 71 GLU N N 15 129.682 0.300 . 1 . . . . 71 GLU N . 11516 1 814 . 1 1 72 72 LYS H H 1 7.926 0.030 . 1 . . . . 72 LYS H . 11516 1 815 . 1 1 72 72 LYS HA H 1 4.902 0.030 . 1 . . . . 72 LYS HA . 11516 1 816 . 1 1 72 72 LYS HB2 H 1 1.750 0.030 . 2 . . . . 72 LYS HB2 . 11516 1 817 . 1 1 72 72 LYS HB3 H 1 1.422 0.030 . 2 . . . . 72 LYS HB3 . 11516 1 818 . 1 1 72 72 LYS HD2 H 1 1.647 0.030 . 1 . . . . 72 LYS HD2 . 11516 1 819 . 1 1 72 72 LYS HD3 H 1 1.647 0.030 . 1 . . . . 72 LYS HD3 . 11516 1 820 . 1 1 72 72 LYS HE2 H 1 2.966 0.030 . 1 . . . . 72 LYS HE2 . 11516 1 821 . 1 1 72 72 LYS HE3 H 1 2.966 0.030 . 1 . . . . 72 LYS HE3 . 11516 1 822 . 1 1 72 72 LYS HG2 H 1 1.363 0.030 . 2 . . . . 72 LYS HG2 . 11516 1 823 . 1 1 72 72 LYS HG3 H 1 1.295 0.030 . 2 . . . . 72 LYS HG3 . 11516 1 824 . 1 1 72 72 LYS C C 13 176.753 0.300 . 1 . . . . 72 LYS C . 11516 1 825 . 1 1 72 72 LYS CA C 13 58.056 0.300 . 1 . . . . 72 LYS CA . 11516 1 826 . 1 1 72 72 LYS CB C 13 35.579 0.300 . 1 . . . . 72 LYS CB . 11516 1 827 . 1 1 72 72 LYS CD C 13 28.614 0.300 . 1 . . . . 72 LYS CD . 11516 1 828 . 1 1 72 72 LYS CE C 13 42.346 0.300 . 1 . . . . 72 LYS CE . 11516 1 829 . 1 1 72 72 LYS CG C 13 24.434 0.300 . 1 . . . . 72 LYS CG . 11516 1 830 . 1 1 72 72 LYS N N 15 115.852 0.300 . 1 . . . . 72 LYS N . 11516 1 831 . 1 1 73 73 HIS H H 1 8.581 0.030 . 1 . . . . 73 HIS H . 11516 1 832 . 1 1 73 73 HIS HA H 1 5.973 0.030 . 1 . . . . 73 HIS HA . 11516 1 833 . 1 1 73 73 HIS HB2 H 1 3.266 0.030 . 2 . . . . 73 HIS HB2 . 11516 1 834 . 1 1 73 73 HIS HB3 H 1 3.028 0.030 . 2 . . . . 73 HIS HB3 . 11516 1 835 . 1 1 73 73 HIS HD2 H 1 6.651 0.030 . 1 . . . . 73 HIS HD2 . 11516 1 836 . 1 1 73 73 HIS HE1 H 1 7.665 0.030 . 1 . . . . 73 HIS HE1 . 11516 1 837 . 1 1 73 73 HIS C C 13 173.471 0.300 . 1 . . . . 73 HIS C . 11516 1 838 . 1 1 73 73 HIS CA C 13 56.236 0.300 . 1 . . . . 73 HIS CA . 11516 1 839 . 1 1 73 73 HIS CB C 13 33.965 0.300 . 1 . . . . 73 HIS CB . 11516 1 840 . 1 1 73 73 HIS CD2 C 13 119.090 0.300 . 1 . . . . 73 HIS CD2 . 11516 1 841 . 1 1 73 73 HIS CE1 C 13 137.956 0.300 . 1 . . . . 73 HIS CE1 . 11516 1 842 . 1 1 73 73 HIS N N 15 115.691 0.300 . 1 . . . . 73 HIS N . 11516 1 843 . 1 1 74 74 ILE H H 1 9.007 0.030 . 1 . . . . 74 ILE H . 11516 1 844 . 1 1 74 74 ILE HA H 1 4.749 0.030 . 1 . . . . 74 ILE HA . 11516 1 845 . 1 1 74 74 ILE HB H 1 1.606 0.030 . 1 . . . . 74 ILE HB . 11516 1 846 . 1 1 74 74 ILE HD11 H 1 0.559 0.030 . 1 . . . . 74 ILE HD1 . 11516 1 847 . 1 1 74 74 ILE HD12 H 1 0.559 0.030 . 1 . . . . 74 ILE HD1 . 11516 1 848 . 1 1 74 74 ILE HD13 H 1 0.559 0.030 . 1 . . . . 74 ILE HD1 . 11516 1 849 . 1 1 74 74 ILE HG12 H 1 1.786 0.030 . 2 . . . . 74 ILE HG12 . 11516 1 850 . 1 1 74 74 ILE HG13 H 1 1.092 0.030 . 2 . . . . 74 ILE HG13 . 11516 1 851 . 1 1 74 74 ILE HG21 H 1 1.095 0.030 . 1 . . . . 74 ILE HG2 . 11516 1 852 . 1 1 74 74 ILE HG22 H 1 1.095 0.030 . 1 . . . . 74 ILE HG2 . 11516 1 853 . 1 1 74 74 ILE HG23 H 1 1.095 0.030 . 1 . . . . 74 ILE HG2 . 11516 1 854 . 1 1 74 74 ILE C C 13 174.035 0.300 . 1 . . . . 74 ILE C . 11516 1 855 . 1 1 74 74 ILE CA C 13 61.061 0.300 . 1 . . . . 74 ILE CA . 11516 1 856 . 1 1 74 74 ILE CB C 13 43.857 0.300 . 1 . . . . 74 ILE CB . 11516 1 857 . 1 1 74 74 ILE CD1 C 13 14.996 0.300 . 1 . . . . 74 ILE CD1 . 11516 1 858 . 1 1 74 74 ILE CG1 C 13 28.687 0.300 . 1 . . . . 74 ILE CG1 . 11516 1 859 . 1 1 74 74 ILE CG2 C 13 17.644 0.300 . 1 . . . . 74 ILE CG2 . 11516 1 860 . 1 1 74 74 ILE N N 15 120.763 0.300 . 1 . . . . 74 ILE N . 11516 1 861 . 1 1 75 75 VAL H H 1 9.292 0.030 . 1 . . . . 75 VAL H . 11516 1 862 . 1 1 75 75 VAL HA H 1 5.214 0.030 . 1 . . . . 75 VAL HA . 11516 1 863 . 1 1 75 75 VAL HB H 1 2.006 0.030 . 1 . . . . 75 VAL HB . 11516 1 864 . 1 1 75 75 VAL HG11 H 1 0.928 0.030 . 1 . . . . 75 VAL HG1 . 11516 1 865 . 1 1 75 75 VAL HG12 H 1 0.928 0.030 . 1 . . . . 75 VAL HG1 . 11516 1 866 . 1 1 75 75 VAL HG13 H 1 0.928 0.030 . 1 . . . . 75 VAL HG1 . 11516 1 867 . 1 1 75 75 VAL HG21 H 1 0.928 0.030 . 1 . . . . 75 VAL HG2 . 11516 1 868 . 1 1 75 75 VAL HG22 H 1 0.928 0.030 . 1 . . . . 75 VAL HG2 . 11516 1 869 . 1 1 75 75 VAL HG23 H 1 0.928 0.030 . 1 . . . . 75 VAL HG2 . 11516 1 870 . 1 1 75 75 VAL C C 13 175.971 0.300 . 1 . . . . 75 VAL C . 11516 1 871 . 1 1 75 75 VAL CA C 13 61.415 0.300 . 1 . . . . 75 VAL CA . 11516 1 872 . 1 1 75 75 VAL CB C 13 33.139 0.300 . 1 . . . . 75 VAL CB . 11516 1 873 . 1 1 75 75 VAL CG1 C 13 21.219 0.300 . 2 . . . . 75 VAL CG1 . 11516 1 874 . 1 1 75 75 VAL CG2 C 13 21.219 0.300 . 2 . . . . 75 VAL CG2 . 11516 1 875 . 1 1 75 75 VAL N N 15 127.199 0.300 . 1 . . . . 75 VAL N . 11516 1 876 . 1 1 76 76 MET H H 1 9.612 0.030 . 1 . . . . 76 MET H . 11516 1 877 . 1 1 76 76 MET HA H 1 5.635 0.030 . 1 . . . . 76 MET HA . 11516 1 878 . 1 1 76 76 MET HB2 H 1 2.311 0.030 . 2 . . . . 76 MET HB2 . 11516 1 879 . 1 1 76 76 MET HB3 H 1 2.188 0.030 . 2 . . . . 76 MET HB3 . 11516 1 880 . 1 1 76 76 MET HE1 H 1 1.949 0.030 . 1 . . . . 76 MET HE . 11516 1 881 . 1 1 76 76 MET HE2 H 1 1.949 0.030 . 1 . . . . 76 MET HE . 11516 1 882 . 1 1 76 76 MET HE3 H 1 1.949 0.030 . 1 . . . . 76 MET HE . 11516 1 883 . 1 1 76 76 MET HG2 H 1 2.581 0.030 . 1 . . . . 76 MET HG2 . 11516 1 884 . 1 1 76 76 MET HG3 H 1 2.581 0.030 . 1 . . . . 76 MET HG3 . 11516 1 885 . 1 1 76 76 MET C C 13 175.357 0.300 . 1 . . . . 76 MET C . 11516 1 886 . 1 1 76 76 MET CA C 13 54.427 0.300 . 1 . . . . 76 MET CA . 11516 1 887 . 1 1 76 76 MET CB C 13 37.068 0.300 . 1 . . . . 76 MET CB . 11516 1 888 . 1 1 76 76 MET CE C 13 17.425 0.300 . 1 . . . . 76 MET CE . 11516 1 889 . 1 1 76 76 MET CG C 13 32.101 0.300 . 1 . . . . 76 MET CG . 11516 1 890 . 1 1 76 76 MET N N 15 123.786 0.300 . 1 . . . . 76 MET N . 11516 1 891 . 1 1 77 77 LYS H H 1 9.172 0.030 . 1 . . . . 77 LYS H . 11516 1 892 . 1 1 77 77 LYS HA H 1 5.479 0.030 . 1 . . . . 77 LYS HA . 11516 1 893 . 1 1 77 77 LYS HB2 H 1 1.406 0.030 . 2 . . . . 77 LYS HB2 . 11516 1 894 . 1 1 77 77 LYS HB3 H 1 1.301 0.030 . 2 . . . . 77 LYS HB3 . 11516 1 895 . 1 1 77 77 LYS HD2 H 1 1.203 0.030 . 2 . . . . 77 LYS HD2 . 11516 1 896 . 1 1 77 77 LYS HD3 H 1 1.142 0.030 . 2 . . . . 77 LYS HD3 . 11516 1 897 . 1 1 77 77 LYS HE2 H 1 2.491 0.030 . 2 . . . . 77 LYS HE2 . 11516 1 898 . 1 1 77 77 LYS HE3 H 1 2.361 0.030 . 2 . . . . 77 LYS HE3 . 11516 1 899 . 1 1 77 77 LYS HG2 H 1 1.356 0.030 . 2 . . . . 77 LYS HG2 . 11516 1 900 . 1 1 77 77 LYS HG3 H 1 1.295 0.030 . 2 . . . . 77 LYS HG3 . 11516 1 901 . 1 1 77 77 LYS C C 13 177.157 0.300 . 1 . . . . 77 LYS C . 11516 1 902 . 1 1 77 77 LYS CA C 13 55.594 0.300 . 1 . . . . 77 LYS CA . 11516 1 903 . 1 1 77 77 LYS CB C 13 33.480 0.300 . 1 . . . . 77 LYS CB . 11516 1 904 . 1 1 77 77 LYS CD C 13 29.155 0.300 . 1 . . . . 77 LYS CD . 11516 1 905 . 1 1 77 77 LYS CE C 13 41.627 0.300 . 1 . . . . 77 LYS CE . 11516 1 906 . 1 1 77 77 LYS CG C 13 24.869 0.300 . 1 . . . . 77 LYS CG . 11516 1 907 . 1 1 77 77 LYS N N 15 122.117 0.300 . 1 . . . . 77 LYS N . 11516 1 908 . 1 1 78 78 TRP H H 1 9.460 0.030 . 1 . . . . 78 TRP H . 11516 1 909 . 1 1 78 78 TRP HA H 1 5.310 0.030 . 1 . . . . 78 TRP HA . 11516 1 910 . 1 1 78 78 TRP HB2 H 1 3.310 0.030 . 2 . . . . 78 TRP HB2 . 11516 1 911 . 1 1 78 78 TRP HB3 H 1 3.028 0.030 . 2 . . . . 78 TRP HB3 . 11516 1 912 . 1 1 78 78 TRP HD1 H 1 7.531 0.030 . 1 . . . . 78 TRP HD1 . 11516 1 913 . 1 1 78 78 TRP HE1 H 1 9.986 0.030 . 1 . . . . 78 TRP HE1 . 11516 1 914 . 1 1 78 78 TRP HE3 H 1 7.232 0.030 . 1 . . . . 78 TRP HE3 . 11516 1 915 . 1 1 78 78 TRP HH2 H 1 6.014 0.030 . 1 . . . . 78 TRP HH2 . 11516 1 916 . 1 1 78 78 TRP HZ2 H 1 6.725 0.030 . 1 . . . . 78 TRP HZ2 . 11516 1 917 . 1 1 78 78 TRP HZ3 H 1 6.617 0.030 . 1 . . . . 78 TRP HZ3 . 11516 1 918 . 1 1 78 78 TRP C C 13 174.212 0.300 . 1 . . . . 78 TRP C . 11516 1 919 . 1 1 78 78 TRP CA C 13 58.961 0.300 . 1 . . . . 78 TRP CA . 11516 1 920 . 1 1 78 78 TRP CB C 13 37.662 0.300 . 1 . . . . 78 TRP CB . 11516 1 921 . 1 1 78 78 TRP CD1 C 13 127.129 0.300 . 1 . . . . 78 TRP CD1 . 11516 1 922 . 1 1 78 78 TRP CE3 C 13 119.626 0.300 . 1 . . . . 78 TRP CE3 . 11516 1 923 . 1 1 78 78 TRP CH2 C 13 123.299 0.300 . 1 . . . . 78 TRP CH2 . 11516 1 924 . 1 1 78 78 TRP CZ2 C 13 113.939 0.300 . 1 . . . . 78 TRP CZ2 . 11516 1 925 . 1 1 78 78 TRP CZ3 C 13 122.674 0.300 . 1 . . . . 78 TRP CZ3 . 11516 1 926 . 1 1 78 78 TRP N N 15 126.329 0.300 . 1 . . . . 78 TRP N . 11516 1 927 . 1 1 78 78 TRP NE1 N 15 129.489 0.300 . 1 . . . . 78 TRP NE1 . 11516 1 928 . 1 1 79 79 ARG H H 1 8.545 0.030 . 1 . . . . 79 ARG H . 11516 1 929 . 1 1 79 79 ARG HA H 1 4.197 0.030 . 1 . . . . 79 ARG HA . 11516 1 930 . 1 1 79 79 ARG HB2 H 1 2.152 0.030 . 2 . . . . 79 ARG HB2 . 11516 1 931 . 1 1 79 79 ARG HB3 H 1 1.529 0.030 . 2 . . . . 79 ARG HB3 . 11516 1 932 . 1 1 79 79 ARG HD2 H 1 2.687 0.030 . 2 . . . . 79 ARG HD2 . 11516 1 933 . 1 1 79 79 ARG HD3 H 1 1.584 0.030 . 2 . . . . 79 ARG HD3 . 11516 1 934 . 1 1 79 79 ARG HE H 1 6.937 0.030 . 1 . . . . 79 ARG HE . 11516 1 935 . 1 1 79 79 ARG HG2 H 1 1.302 0.030 . 2 . . . . 79 ARG HG2 . 11516 1 936 . 1 1 79 79 ARG HG3 H 1 0.585 0.030 . 2 . . . . 79 ARG HG3 . 11516 1 937 . 1 1 79 79 ARG C C 13 173.616 0.300 . 1 . . . . 79 ARG C . 11516 1 938 . 1 1 79 79 ARG CA C 13 55.529 0.300 . 1 . . . . 79 ARG CA . 11516 1 939 . 1 1 79 79 ARG CB C 13 32.888 0.300 . 1 . . . . 79 ARG CB . 11516 1 940 . 1 1 79 79 ARG CD C 13 43.315 0.300 . 1 . . . . 79 ARG CD . 11516 1 941 . 1 1 79 79 ARG CG C 13 27.035 0.300 . 1 . . . . 79 ARG CG . 11516 1 942 . 1 1 79 79 ARG N N 15 123.010 0.300 . 1 . . . . 79 ARG N . 11516 1 943 . 1 1 79 79 ARG NE N 15 89.414 0.300 . 1 . . . . 79 ARG NE . 11516 1 944 . 1 1 80 80 PHE H H 1 3.549 0.030 . 1 . . . . 80 PHE H . 11516 1 945 . 1 1 80 80 PHE HA H 1 4.973 0.030 . 1 . . . . 80 PHE HA . 11516 1 946 . 1 1 80 80 PHE HB2 H 1 2.782 0.030 . 2 . . . . 80 PHE HB2 . 11516 1 947 . 1 1 80 80 PHE HB3 H 1 1.156 0.030 . 2 . . . . 80 PHE HB3 . 11516 1 948 . 1 1 80 80 PHE HD1 H 1 7.323 0.030 . 1 . . . . 80 PHE HD1 . 11516 1 949 . 1 1 80 80 PHE HD2 H 1 7.323 0.030 . 1 . . . . 80 PHE HD2 . 11516 1 950 . 1 1 80 80 PHE HE1 H 1 7.451 0.030 . 1 . . . . 80 PHE HE1 . 11516 1 951 . 1 1 80 80 PHE HE2 H 1 7.451 0.030 . 1 . . . . 80 PHE HE2 . 11516 1 952 . 1 1 80 80 PHE HZ H 1 7.360 0.030 . 1 . . . . 80 PHE HZ . 11516 1 953 . 1 1 80 80 PHE C C 13 178.025 0.300 . 1 . . . . 80 PHE C . 11516 1 954 . 1 1 80 80 PHE CA C 13 55.194 0.300 . 1 . . . . 80 PHE CA . 11516 1 955 . 1 1 80 80 PHE CB C 13 41.115 0.300 . 1 . . . . 80 PHE CB . 11516 1 956 . 1 1 80 80 PHE CD1 C 13 132.471 0.300 . 1 . . . . 80 PHE CD1 . 11516 1 957 . 1 1 80 80 PHE CD2 C 13 132.471 0.300 . 1 . . . . 80 PHE CD2 . 11516 1 958 . 1 1 80 80 PHE CE1 C 13 130.880 0.300 . 1 . . . . 80 PHE CE1 . 11516 1 959 . 1 1 80 80 PHE CE2 C 13 130.880 0.300 . 1 . . . . 80 PHE CE2 . 11516 1 960 . 1 1 80 80 PHE CZ C 13 128.381 0.300 . 1 . . . . 80 PHE CZ . 11516 1 961 . 1 1 80 80 PHE N N 15 114.878 0.300 . 1 . . . . 80 PHE N . 11516 1 962 . 1 1 81 81 LYS H H 1 8.019 0.030 . 1 . . . . 81 LYS H . 11516 1 963 . 1 1 81 81 LYS HA H 1 3.939 0.030 . 1 . . . . 81 LYS HA . 11516 1 964 . 1 1 81 81 LYS HB2 H 1 1.978 0.030 . 2 . . . . 81 LYS HB2 . 11516 1 965 . 1 1 81 81 LYS HB3 H 1 1.801 0.030 . 2 . . . . 81 LYS HB3 . 11516 1 966 . 1 1 81 81 LYS HD2 H 1 1.571 0.030 . 1 . . . . 81 LYS HD2 . 11516 1 967 . 1 1 81 81 LYS HD3 H 1 1.571 0.030 . 1 . . . . 81 LYS HD3 . 11516 1 968 . 1 1 81 81 LYS HE2 H 1 2.876 0.030 . 2 . . . . 81 LYS HE2 . 11516 1 969 . 1 1 81 81 LYS HG2 H 1 1.351 0.030 . 1 . . . . 81 LYS HG2 . 11516 1 970 . 1 1 81 81 LYS HG3 H 1 1.351 0.030 . 1 . . . . 81 LYS HG3 . 11516 1 971 . 1 1 81 81 LYS C C 13 176.464 0.300 . 1 . . . . 81 LYS C . 11516 1 972 . 1 1 81 81 LYS CA C 13 58.766 0.300 . 1 . . . . 81 LYS CA . 11516 1 973 . 1 1 81 81 LYS CB C 13 33.045 0.300 . 1 . . . . 81 LYS CB . 11516 1 974 . 1 1 81 81 LYS CD C 13 29.456 0.300 . 1 . . . . 81 LYS CD . 11516 1 975 . 1 1 81 81 LYS CE C 13 42.065 0.300 . 1 . . . . 81 LYS CE . 11516 1 976 . 1 1 81 81 LYS CG C 13 24.451 0.300 . 1 . . . . 81 LYS CG . 11516 1 977 . 1 1 81 81 LYS N N 15 120.932 0.300 . 1 . . . . 81 LYS N . 11516 1 978 . 1 1 82 82 SER H H 1 7.583 0.030 . 1 . . . . 82 SER H . 11516 1 979 . 1 1 82 82 SER HA H 1 4.259 0.030 . 1 . . . . 82 SER HA . 11516 1 980 . 1 1 82 82 SER HB2 H 1 4.199 0.030 . 2 . . . . 82 SER HB2 . 11516 1 981 . 1 1 82 82 SER HB3 H 1 3.784 0.030 . 2 . . . . 82 SER HB3 . 11516 1 982 . 1 1 82 82 SER C C 13 175.518 0.300 . 1 . . . . 82 SER C . 11516 1 983 . 1 1 82 82 SER CA C 13 58.934 0.300 . 1 . . . . 82 SER CA . 11516 1 984 . 1 1 82 82 SER CB C 13 63.442 0.300 . 1 . . . . 82 SER CB . 11516 1 985 . 1 1 82 82 SER N N 15 108.330 0.300 . 1 . . . . 82 SER N . 11516 1 986 . 1 1 83 83 TRP H H 1 7.693 0.030 . 1 . . . . 83 TRP H . 11516 1 987 . 1 1 83 83 TRP HA H 1 5.025 0.030 . 1 . . . . 83 TRP HA . 11516 1 988 . 1 1 83 83 TRP HB2 H 1 3.614 0.030 . 2 . . . . 83 TRP HB2 . 11516 1 989 . 1 1 83 83 TRP HB3 H 1 3.126 0.030 . 2 . . . . 83 TRP HB3 . 11516 1 990 . 1 1 83 83 TRP HD1 H 1 7.217 0.030 . 1 . . . . 83 TRP HD1 . 11516 1 991 . 1 1 83 83 TRP HE1 H 1 11.428 0.030 . 1 . . . . 83 TRP HE1 . 11516 1 992 . 1 1 83 83 TRP HE3 H 1 7.972 0.030 . 1 . . . . 83 TRP HE3 . 11516 1 993 . 1 1 83 83 TRP HH2 H 1 7.572 0.030 . 1 . . . . 83 TRP HH2 . 11516 1 994 . 1 1 83 83 TRP HZ2 H 1 8.558 0.030 . 1 . . . . 83 TRP HZ2 . 11516 1 995 . 1 1 83 83 TRP HZ3 H 1 8.135 0.030 . 1 . . . . 83 TRP HZ3 . 11516 1 996 . 1 1 83 83 TRP C C 13 173.755 0.300 . 1 . . . . 83 TRP C . 11516 1 997 . 1 1 83 83 TRP CA C 13 54.696 0.300 . 1 . . . . 83 TRP CA . 11516 1 998 . 1 1 83 83 TRP CB C 13 27.303 0.300 . 1 . . . . 83 TRP CB . 11516 1 999 . 1 1 83 83 TRP CD1 C 13 125.270 0.300 . 1 . . . . 83 TRP CD1 . 11516 1 1000 . 1 1 83 83 TRP CE3 C 13 119.751 0.300 . 1 . . . . 83 TRP CE3 . 11516 1 1001 . 1 1 83 83 TRP CH2 C 13 124.316 0.300 . 1 . . . . 83 TRP CH2 . 11516 1 1002 . 1 1 83 83 TRP CZ2 C 13 117.114 0.300 . 1 . . . . 83 TRP CZ2 . 11516 1 1003 . 1 1 83 83 TRP CZ3 C 13 123.849 0.300 . 1 . . . . 83 TRP CZ3 . 11516 1 1004 . 1 1 83 83 TRP N N 15 123.699 0.300 . 1 . . . . 83 TRP N . 11516 1 1005 . 1 1 83 83 TRP NE1 N 15 132.223 0.300 . 1 . . . . 83 TRP NE1 . 11516 1 1006 . 1 1 84 84 PRO HA H 1 4.422 0.030 . 1 . . . . 84 PRO HA . 11516 1 1007 . 1 1 84 84 PRO HB2 H 1 2.428 0.030 . 2 . . . . 84 PRO HB2 . 11516 1 1008 . 1 1 84 84 PRO HB3 H 1 1.784 0.030 . 2 . . . . 84 PRO HB3 . 11516 1 1009 . 1 1 84 84 PRO HD2 H 1 3.989 0.030 . 2 . . . . 84 PRO HD2 . 11516 1 1010 . 1 1 84 84 PRO HD3 H 1 3.085 0.030 . 2 . . . . 84 PRO HD3 . 11516 1 1011 . 1 1 84 84 PRO HG2 H 1 2.049 0.030 . 2 . . . . 84 PRO HG2 . 11516 1 1012 . 1 1 84 84 PRO HG3 H 1 1.876 0.030 . 2 . . . . 84 PRO HG3 . 11516 1 1013 . 1 1 84 84 PRO C C 13 177.199 0.300 . 1 . . . . 84 PRO C . 11516 1 1014 . 1 1 84 84 PRO CA C 13 63.687 0.300 . 1 . . . . 84 PRO CA . 11516 1 1015 . 1 1 84 84 PRO CB C 13 31.718 0.300 . 1 . . . . 84 PRO CB . 11516 1 1016 . 1 1 84 84 PRO CD C 13 49.923 0.300 . 1 . . . . 84 PRO CD . 11516 1 1017 . 1 1 84 84 PRO CG C 13 28.259 0.300 . 1 . . . . 84 PRO CG . 11516 1 1018 . 1 1 85 85 GLU H H 1 9.006 0.030 . 1 . . . . 85 GLU H . 11516 1 1019 . 1 1 85 85 GLU HA H 1 3.907 0.030 . 1 . . . . 85 GLU HA . 11516 1 1020 . 1 1 85 85 GLU HB2 H 1 2.030 0.030 . 2 . . . . 85 GLU HB2 . 11516 1 1021 . 1 1 85 85 GLU HB3 H 1 1.952 0.030 . 2 . . . . 85 GLU HB3 . 11516 1 1022 . 1 1 85 85 GLU HG2 H 1 2.291 0.030 . 1 . . . . 85 GLU HG2 . 11516 1 1023 . 1 1 85 85 GLU HG3 H 1 2.291 0.030 . 1 . . . . 85 GLU HG3 . 11516 1 1024 . 1 1 85 85 GLU C C 13 177.818 0.300 . 1 . . . . 85 GLU C . 11516 1 1025 . 1 1 85 85 GLU CA C 13 58.589 0.300 . 1 . . . . 85 GLU CA . 11516 1 1026 . 1 1 85 85 GLU CB C 13 29.372 0.300 . 1 . . . . 85 GLU CB . 11516 1 1027 . 1 1 85 85 GLU CG C 13 35.800 0.300 . 1 . . . . 85 GLU CG . 11516 1 1028 . 1 1 85 85 GLU N N 15 126.908 0.300 . 1 . . . . 85 GLU N . 11516 1 1029 . 1 1 86 86 GLY H H 1 9.003 0.030 . 1 . . . . 86 GLY H . 11516 1 1030 . 1 1 86 86 GLY HA2 H 1 4.234 0.030 . 2 . . . . 86 GLY HA2 . 11516 1 1031 . 1 1 86 86 GLY HA3 H 1 3.637 0.030 . 2 . . . . 86 GLY HA3 . 11516 1 1032 . 1 1 86 86 GLY C C 13 172.765 0.300 . 1 . . . . 86 GLY C . 11516 1 1033 . 1 1 86 86 GLY CA C 13 45.185 0.300 . 1 . . . . 86 GLY CA . 11516 1 1034 . 1 1 86 86 GLY N N 15 113.355 0.300 . 1 . . . . 86 GLY N . 11516 1 1035 . 1 1 87 87 HIS H H 1 7.907 0.030 . 1 . . . . 87 HIS H . 11516 1 1036 . 1 1 87 87 HIS HA H 1 4.494 0.030 . 1 . . . . 87 HIS HA . 11516 1 1037 . 1 1 87 87 HIS HB2 H 1 3.167 0.030 . 2 . . . . 87 HIS HB2 . 11516 1 1038 . 1 1 87 87 HIS HB3 H 1 2.739 0.030 . 2 . . . . 87 HIS HB3 . 11516 1 1039 . 1 1 87 87 HIS HD2 H 1 6.695 0.030 . 1 . . . . 87 HIS HD2 . 11516 1 1040 . 1 1 87 87 HIS HE1 H 1 7.592 0.030 . 1 . . . . 87 HIS HE1 . 11516 1 1041 . 1 1 87 87 HIS C C 13 174.583 0.300 . 1 . . . . 87 HIS C . 11516 1 1042 . 1 1 87 87 HIS CA C 13 57.548 0.300 . 1 . . . . 87 HIS CA . 11516 1 1043 . 1 1 87 87 HIS CB C 13 33.680 0.300 . 1 . . . . 87 HIS CB . 11516 1 1044 . 1 1 87 87 HIS CD2 C 13 115.497 0.300 . 1 . . . . 87 HIS CD2 . 11516 1 1045 . 1 1 87 87 HIS CE1 C 13 138.584 0.300 . 1 . . . . 87 HIS CE1 . 11516 1 1046 . 1 1 87 87 HIS N N 15 120.178 0.300 . 1 . . . . 87 HIS N . 11516 1 1047 . 1 1 88 88 PHE H H 1 8.167 0.030 . 1 . . . . 88 PHE H . 11516 1 1048 . 1 1 88 88 PHE HA H 1 5.061 0.030 . 1 . . . . 88 PHE HA . 11516 1 1049 . 1 1 88 88 PHE HB2 H 1 3.178 0.030 . 2 . . . . 88 PHE HB2 . 11516 1 1050 . 1 1 88 88 PHE HB3 H 1 2.779 0.030 . 2 . . . . 88 PHE HB3 . 11516 1 1051 . 1 1 88 88 PHE HD1 H 1 7.035 0.030 . 1 . . . . 88 PHE HD1 . 11516 1 1052 . 1 1 88 88 PHE HD2 H 1 7.035 0.030 . 1 . . . . 88 PHE HD2 . 11516 1 1053 . 1 1 88 88 PHE HE1 H 1 7.054 0.030 . 1 . . . . 88 PHE HE1 . 11516 1 1054 . 1 1 88 88 PHE HE2 H 1 7.054 0.030 . 1 . . . . 88 PHE HE2 . 11516 1 1055 . 1 1 88 88 PHE HZ H 1 7.153 0.030 . 1 . . . . 88 PHE HZ . 11516 1 1056 . 1 1 88 88 PHE C C 13 175.794 0.300 . 1 . . . . 88 PHE C . 11516 1 1057 . 1 1 88 88 PHE CA C 13 57.253 0.300 . 1 . . . . 88 PHE CA . 11516 1 1058 . 1 1 88 88 PHE CB C 13 42.352 0.300 . 1 . . . . 88 PHE CB . 11516 1 1059 . 1 1 88 88 PHE CD1 C 13 132.150 0.300 . 1 . . . . 88 PHE CD1 . 11516 1 1060 . 1 1 88 88 PHE CD2 C 13 132.150 0.300 . 1 . . . . 88 PHE CD2 . 11516 1 1061 . 1 1 88 88 PHE CE1 C 13 131.117 0.300 . 1 . . . . 88 PHE CE1 . 11516 1 1062 . 1 1 88 88 PHE CE2 C 13 131.117 0.300 . 1 . . . . 88 PHE CE2 . 11516 1 1063 . 1 1 88 88 PHE CZ C 13 130.237 0.300 . 1 . . . . 88 PHE CZ . 11516 1 1064 . 1 1 88 88 PHE N N 15 124.251 0.300 . 1 . . . . 88 PHE N . 11516 1 1065 . 1 1 89 89 ALA H H 1 9.978 0.030 . 1 . . . . 89 ALA H . 11516 1 1066 . 1 1 89 89 ALA HA H 1 5.102 0.030 . 1 . . . . 89 ALA HA . 11516 1 1067 . 1 1 89 89 ALA HB1 H 1 1.940 0.030 . 1 . . . . 89 ALA HB . 11516 1 1068 . 1 1 89 89 ALA HB2 H 1 1.940 0.030 . 1 . . . . 89 ALA HB . 11516 1 1069 . 1 1 89 89 ALA HB3 H 1 1.940 0.030 . 1 . . . . 89 ALA HB . 11516 1 1070 . 1 1 89 89 ALA C C 13 177.770 0.300 . 1 . . . . 89 ALA C . 11516 1 1071 . 1 1 89 89 ALA CA C 13 51.420 0.300 . 1 . . . . 89 ALA CA . 11516 1 1072 . 1 1 89 89 ALA CB C 13 21.710 0.300 . 1 . . . . 89 ALA CB . 11516 1 1073 . 1 1 89 89 ALA N N 15 124.330 0.300 . 1 . . . . 89 ALA N . 11516 1 1074 . 1 1 90 90 THR H H 1 8.845 0.030 . 1 . . . . 90 THR H . 11516 1 1075 . 1 1 90 90 THR HA H 1 5.241 0.030 . 1 . . . . 90 THR HA . 11516 1 1076 . 1 1 90 90 THR HB H 1 3.901 0.030 . 1 . . . . 90 THR HB . 11516 1 1077 . 1 1 90 90 THR HG21 H 1 1.109 0.030 . 1 . . . . 90 THR HG2 . 11516 1 1078 . 1 1 90 90 THR HG22 H 1 1.109 0.030 . 1 . . . . 90 THR HG2 . 11516 1 1079 . 1 1 90 90 THR HG23 H 1 1.109 0.030 . 1 . . . . 90 THR HG2 . 11516 1 1080 . 1 1 90 90 THR C C 13 174.333 0.300 . 1 . . . . 90 THR C . 11516 1 1081 . 1 1 90 90 THR CA C 13 62.611 0.300 . 1 . . . . 90 THR CA . 11516 1 1082 . 1 1 90 90 THR CB C 13 69.905 0.300 . 1 . . . . 90 THR CB . 11516 1 1083 . 1 1 90 90 THR CG2 C 13 21.289 0.300 . 1 . . . . 90 THR CG2 . 11516 1 1084 . 1 1 90 90 THR N N 15 116.572 0.300 . 1 . . . . 90 THR N . 11516 1 1085 . 1 1 91 91 ILE H H 1 9.585 0.030 . 1 . . . . 91 ILE H . 11516 1 1086 . 1 1 91 91 ILE HA H 1 4.972 0.030 . 1 . . . . 91 ILE HA . 11516 1 1087 . 1 1 91 91 ILE HB H 1 1.598 0.030 . 1 . . . . 91 ILE HB . 11516 1 1088 . 1 1 91 91 ILE HD11 H 1 0.120 0.030 . 1 . . . . 91 ILE HD1 . 11516 1 1089 . 1 1 91 91 ILE HD12 H 1 0.120 0.030 . 1 . . . . 91 ILE HD1 . 11516 1 1090 . 1 1 91 91 ILE HD13 H 1 0.120 0.030 . 1 . . . . 91 ILE HD1 . 11516 1 1091 . 1 1 91 91 ILE HG12 H 1 1.277 0.030 . 2 . . . . 91 ILE HG12 . 11516 1 1092 . 1 1 91 91 ILE HG13 H 1 1.035 0.030 . 2 . . . . 91 ILE HG13 . 11516 1 1093 . 1 1 91 91 ILE HG21 H 1 0.131 0.030 . 1 . . . . 91 ILE HG2 . 11516 1 1094 . 1 1 91 91 ILE HG22 H 1 0.131 0.030 . 1 . . . . 91 ILE HG2 . 11516 1 1095 . 1 1 91 91 ILE HG23 H 1 0.131 0.030 . 1 . . . . 91 ILE HG2 . 11516 1 1096 . 1 1 91 91 ILE C C 13 174.169 0.300 . 1 . . . . 91 ILE C . 11516 1 1097 . 1 1 91 91 ILE CA C 13 58.962 0.300 . 1 . . . . 91 ILE CA . 11516 1 1098 . 1 1 91 91 ILE CB C 13 40.235 0.300 . 1 . . . . 91 ILE CB . 11516 1 1099 . 1 1 91 91 ILE CD1 C 13 11.804 0.300 . 1 . . . . 91 ILE CD1 . 11516 1 1100 . 1 1 91 91 ILE CG1 C 13 27.551 0.300 . 1 . . . . 91 ILE CG1 . 11516 1 1101 . 1 1 91 91 ILE CG2 C 13 17.290 0.300 . 1 . . . . 91 ILE CG2 . 11516 1 1102 . 1 1 91 91 ILE N N 15 129.752 0.300 . 1 . . . . 91 ILE N . 11516 1 1103 . 1 1 92 92 THR H H 1 9.050 0.030 . 1 . . . . 92 THR H . 11516 1 1104 . 1 1 92 92 THR HA H 1 5.127 0.030 . 1 . . . . 92 THR HA . 11516 1 1105 . 1 1 92 92 THR HB H 1 3.952 0.030 . 1 . . . . 92 THR HB . 11516 1 1106 . 1 1 92 92 THR HG21 H 1 1.083 0.030 . 1 . . . . 92 THR HG2 . 11516 1 1107 . 1 1 92 92 THR HG22 H 1 1.083 0.030 . 1 . . . . 92 THR HG2 . 11516 1 1108 . 1 1 92 92 THR HG23 H 1 1.083 0.030 . 1 . . . . 92 THR HG2 . 11516 1 1109 . 1 1 92 92 THR C C 13 173.764 0.300 . 1 . . . . 92 THR C . 11516 1 1110 . 1 1 92 92 THR CA C 13 61.293 0.300 . 1 . . . . 92 THR CA . 11516 1 1111 . 1 1 92 92 THR CB C 13 70.446 0.300 . 1 . . . . 92 THR CB . 11516 1 1112 . 1 1 92 92 THR CG2 C 13 21.063 0.300 . 1 . . . . 92 THR CG2 . 11516 1 1113 . 1 1 92 92 THR N N 15 122.679 0.300 . 1 . . . . 92 THR N . 11516 1 1114 . 1 1 93 93 LEU H H 1 9.571 0.030 . 1 . . . . 93 LEU H . 11516 1 1115 . 1 1 93 93 LEU HA H 1 4.958 0.030 . 1 . . . . 93 LEU HA . 11516 1 1116 . 1 1 93 93 LEU HB2 H 1 1.565 0.030 . 2 . . . . 93 LEU HB2 . 11516 1 1117 . 1 1 93 93 LEU HB3 H 1 0.611 0.030 . 2 . . . . 93 LEU HB3 . 11516 1 1118 . 1 1 93 93 LEU HD11 H 1 0.199 0.030 . 1 . . . . 93 LEU HD1 . 11516 1 1119 . 1 1 93 93 LEU HD12 H 1 0.199 0.030 . 1 . . . . 93 LEU HD1 . 11516 1 1120 . 1 1 93 93 LEU HD13 H 1 0.199 0.030 . 1 . . . . 93 LEU HD1 . 11516 1 1121 . 1 1 93 93 LEU HD21 H 1 0.234 0.030 . 1 . . . . 93 LEU HD2 . 11516 1 1122 . 1 1 93 93 LEU HD22 H 1 0.234 0.030 . 1 . . . . 93 LEU HD2 . 11516 1 1123 . 1 1 93 93 LEU HD23 H 1 0.234 0.030 . 1 . . . . 93 LEU HD2 . 11516 1 1124 . 1 1 93 93 LEU HG H 1 1.136 0.030 . 1 . . . . 93 LEU HG . 11516 1 1125 . 1 1 93 93 LEU C C 13 175.160 0.300 . 1 . . . . 93 LEU C . 11516 1 1126 . 1 1 93 93 LEU CA C 13 52.703 0.300 . 1 . . . . 93 LEU CA . 11516 1 1127 . 1 1 93 93 LEU CB C 13 43.683 0.300 . 1 . . . . 93 LEU CB . 11516 1 1128 . 1 1 93 93 LEU CD1 C 13 25.621 0.300 . 2 . . . . 93 LEU CD1 . 11516 1 1129 . 1 1 93 93 LEU CD2 C 13 23.452 0.300 . 2 . . . . 93 LEU CD2 . 11516 1 1130 . 1 1 93 93 LEU CG C 13 26.548 0.300 . 1 . . . . 93 LEU CG . 11516 1 1131 . 1 1 93 93 LEU N N 15 127.723 0.300 . 1 . . . . 93 LEU N . 11516 1 1132 . 1 1 94 94 THR H H 1 8.649 0.030 . 1 . . . . 94 THR H . 11516 1 1133 . 1 1 94 94 THR HA H 1 4.919 0.030 . 1 . . . . 94 THR HA . 11516 1 1134 . 1 1 94 94 THR HB H 1 3.867 0.030 . 1 . . . . 94 THR HB . 11516 1 1135 . 1 1 94 94 THR HG21 H 1 1.272 0.030 . 1 . . . . 94 THR HG2 . 11516 1 1136 . 1 1 94 94 THR HG22 H 1 1.272 0.030 . 1 . . . . 94 THR HG2 . 11516 1 1137 . 1 1 94 94 THR HG23 H 1 1.272 0.030 . 1 . . . . 94 THR HG2 . 11516 1 1138 . 1 1 94 94 THR C C 13 172.562 0.300 . 1 . . . . 94 THR C . 11516 1 1139 . 1 1 94 94 THR CA C 13 61.837 0.300 . 1 . . . . 94 THR CA . 11516 1 1140 . 1 1 94 94 THR CB C 13 70.722 0.300 . 1 . . . . 94 THR CB . 11516 1 1141 . 1 1 94 94 THR CG2 C 13 21.964 0.300 . 1 . . . . 94 THR CG2 . 11516 1 1142 . 1 1 94 94 THR N N 15 118.241 0.300 . 1 . . . . 94 THR N . 11516 1 1143 . 1 1 95 95 PHE H H 1 8.257 0.030 . 1 . . . . 95 PHE H . 11516 1 1144 . 1 1 95 95 PHE HA H 1 4.604 0.030 . 1 . . . . 95 PHE HA . 11516 1 1145 . 1 1 95 95 PHE HB2 H 1 3.204 0.030 . 2 . . . . 95 PHE HB2 . 11516 1 1146 . 1 1 95 95 PHE HB3 H 1 2.399 0.030 . 2 . . . . 95 PHE HB3 . 11516 1 1147 . 1 1 95 95 PHE HD1 H 1 6.942 0.030 . 1 . . . . 95 PHE HD1 . 11516 1 1148 . 1 1 95 95 PHE HD2 H 1 6.942 0.030 . 1 . . . . 95 PHE HD2 . 11516 1 1149 . 1 1 95 95 PHE HE1 H 1 6.811 0.030 . 1 . . . . 95 PHE HE1 . 11516 1 1150 . 1 1 95 95 PHE HE2 H 1 6.811 0.030 . 1 . . . . 95 PHE HE2 . 11516 1 1151 . 1 1 95 95 PHE HZ H 1 6.521 0.030 . 1 . . . . 95 PHE HZ . 11516 1 1152 . 1 1 95 95 PHE C C 13 174.662 0.300 . 1 . . . . 95 PHE C . 11516 1 1153 . 1 1 95 95 PHE CA C 13 56.703 0.300 . 1 . . . . 95 PHE CA . 11516 1 1154 . 1 1 95 95 PHE CB C 13 40.063 0.300 . 1 . . . . 95 PHE CB . 11516 1 1155 . 1 1 95 95 PHE CD1 C 13 131.654 0.300 . 1 . . . . 95 PHE CD1 . 11516 1 1156 . 1 1 95 95 PHE CD2 C 13 131.654 0.300 . 1 . . . . 95 PHE CD2 . 11516 1 1157 . 1 1 95 95 PHE CE1 C 13 130.291 0.300 . 1 . . . . 95 PHE CE1 . 11516 1 1158 . 1 1 95 95 PHE CE2 C 13 130.291 0.300 . 1 . . . . 95 PHE CE2 . 11516 1 1159 . 1 1 95 95 PHE CZ C 13 128.489 0.300 . 1 . . . . 95 PHE CZ . 11516 1 1160 . 1 1 95 95 PHE N N 15 124.735 0.300 . 1 . . . . 95 PHE N . 11516 1 1161 . 1 1 96 96 ILE H H 1 9.044 0.030 . 1 . . . . 96 ILE H . 11516 1 1162 . 1 1 96 96 ILE HA H 1 4.393 0.030 . 1 . . . . 96 ILE HA . 11516 1 1163 . 1 1 96 96 ILE HB H 1 2.095 0.030 . 1 . . . . 96 ILE HB . 11516 1 1164 . 1 1 96 96 ILE HD11 H 1 0.810 0.030 . 1 . . . . 96 ILE HD1 . 11516 1 1165 . 1 1 96 96 ILE HD12 H 1 0.810 0.030 . 1 . . . . 96 ILE HD1 . 11516 1 1166 . 1 1 96 96 ILE HD13 H 1 0.810 0.030 . 1 . . . . 96 ILE HD1 . 11516 1 1167 . 1 1 96 96 ILE HG12 H 1 1.454 0.030 . 2 . . . . 96 ILE HG12 . 11516 1 1168 . 1 1 96 96 ILE HG13 H 1 1.147 0.030 . 2 . . . . 96 ILE HG13 . 11516 1 1169 . 1 1 96 96 ILE HG21 H 1 0.849 0.030 . 1 . . . . 96 ILE HG2 . 11516 1 1170 . 1 1 96 96 ILE HG22 H 1 0.849 0.030 . 1 . . . . 96 ILE HG2 . 11516 1 1171 . 1 1 96 96 ILE HG23 H 1 0.849 0.030 . 1 . . . . 96 ILE HG2 . 11516 1 1172 . 1 1 96 96 ILE C C 13 175.157 0.300 . 1 . . . . 96 ILE C . 11516 1 1173 . 1 1 96 96 ILE CA C 13 60.404 0.300 . 1 . . . . 96 ILE CA . 11516 1 1174 . 1 1 96 96 ILE CB C 13 39.686 0.300 . 1 . . . . 96 ILE CB . 11516 1 1175 . 1 1 96 96 ILE CD1 C 13 13.006 0.300 . 1 . . . . 96 ILE CD1 . 11516 1 1176 . 1 1 96 96 ILE CG1 C 13 27.530 0.300 . 1 . . . . 96 ILE CG1 . 11516 1 1177 . 1 1 96 96 ILE CG2 C 13 17.553 0.300 . 1 . . . . 96 ILE CG2 . 11516 1 1178 . 1 1 96 96 ILE N N 15 124.769 0.300 . 1 . . . . 96 ILE N . 11516 1 1179 . 1 1 97 97 ASP H H 1 8.869 0.030 . 1 . . . . 97 ASP H . 11516 1 1180 . 1 1 97 97 ASP HA H 1 4.529 0.030 . 1 . . . . 97 ASP HA . 11516 1 1181 . 1 1 97 97 ASP HB2 H 1 2.971 0.030 . 2 . . . . 97 ASP HB2 . 11516 1 1182 . 1 1 97 97 ASP HB3 H 1 2.649 0.030 . 2 . . . . 97 ASP HB3 . 11516 1 1183 . 1 1 97 97 ASP C C 13 176.043 0.300 . 1 . . . . 97 ASP C . 11516 1 1184 . 1 1 97 97 ASP CA C 13 55.126 0.300 . 1 . . . . 97 ASP CA . 11516 1 1185 . 1 1 97 97 ASP CB C 13 41.795 0.300 . 1 . . . . 97 ASP CB . 11516 1 1186 . 1 1 97 97 ASP N N 15 127.541 0.300 . 1 . . . . 97 ASP N . 11516 1 1187 . 1 1 98 98 LYS H H 1 8.699 0.030 . 1 . . . . 98 LYS H . 11516 1 1188 . 1 1 98 98 LYS HA H 1 4.583 0.030 . 1 . . . . 98 LYS HA . 11516 1 1189 . 1 1 98 98 LYS HB2 H 1 1.952 0.030 . 2 . . . . 98 LYS HB2 . 11516 1 1190 . 1 1 98 98 LYS HB3 H 1 1.416 0.030 . 2 . . . . 98 LYS HB3 . 11516 1 1191 . 1 1 98 98 LYS HD2 H 1 1.586 0.030 . 2 . . . . 98 LYS HD2 . 11516 1 1192 . 1 1 98 98 LYS HE2 H 1 2.850 0.030 . 1 . . . . 98 LYS HE2 . 11516 1 1193 . 1 1 98 98 LYS HE3 H 1 2.850 0.030 . 1 . . . . 98 LYS HE3 . 11516 1 1194 . 1 1 98 98 LYS HG2 H 1 1.424 0.030 . 2 . . . . 98 LYS HG2 . 11516 1 1195 . 1 1 98 98 LYS HG3 H 1 1.298 0.030 . 2 . . . . 98 LYS HG3 . 11516 1 1196 . 1 1 98 98 LYS C C 13 176.303 0.300 . 1 . . . . 98 LYS C . 11516 1 1197 . 1 1 98 98 LYS CA C 13 54.599 0.300 . 1 . . . . 98 LYS CA . 11516 1 1198 . 1 1 98 98 LYS CB C 13 31.867 0.300 . 1 . . . . 98 LYS CB . 11516 1 1199 . 1 1 98 98 LYS CD C 13 28.837 0.300 . 1 . . . . 98 LYS CD . 11516 1 1200 . 1 1 98 98 LYS CE C 13 41.820 0.300 . 1 . . . . 98 LYS CE . 11516 1 1201 . 1 1 98 98 LYS CG C 13 24.241 0.300 . 1 . . . . 98 LYS CG . 11516 1 1202 . 1 1 98 98 LYS N N 15 128.454 0.300 . 1 . . . . 98 LYS N . 11516 1 1203 . 1 1 99 99 ASN H H 1 8.848 0.030 . 1 . . . . 99 ASN H . 11516 1 1204 . 1 1 99 99 ASN HA H 1 4.363 0.030 . 1 . . . . 99 ASN HA . 11516 1 1205 . 1 1 99 99 ASN HB2 H 1 3.103 0.030 . 2 . . . . 99 ASN HB2 . 11516 1 1206 . 1 1 99 99 ASN HB3 H 1 2.745 0.030 . 2 . . . . 99 ASN HB3 . 11516 1 1207 . 1 1 99 99 ASN HD21 H 1 7.587 0.030 . 2 . . . . 99 ASN HD21 . 11516 1 1208 . 1 1 99 99 ASN HD22 H 1 6.814 0.030 . 2 . . . . 99 ASN HD22 . 11516 1 1209 . 1 1 99 99 ASN C C 13 174.472 0.300 . 1 . . . . 99 ASN C . 11516 1 1210 . 1 1 99 99 ASN CA C 13 54.631 0.300 . 1 . . . . 99 ASN CA . 11516 1 1211 . 1 1 99 99 ASN CB C 13 36.714 0.300 . 1 . . . . 99 ASN CB . 11516 1 1212 . 1 1 99 99 ASN N N 15 119.019 0.300 . 1 . . . . 99 ASN N . 11516 1 1213 . 1 1 99 99 ASN ND2 N 15 112.492 0.300 . 1 . . . . 99 ASN ND2 . 11516 1 1214 . 1 1 100 100 GLY H H 1 9.043 0.030 . 1 . . . . 100 GLY H . 11516 1 1215 . 1 1 100 100 GLY HA2 H 1 4.352 0.030 . 2 . . . . 100 GLY HA2 . 11516 1 1216 . 1 1 100 100 GLY HA3 H 1 3.486 0.030 . 2 . . . . 100 GLY HA3 . 11516 1 1217 . 1 1 100 100 GLY C C 13 173.386 0.300 . 1 . . . . 100 GLY C . 11516 1 1218 . 1 1 100 100 GLY CA C 13 45.030 0.300 . 1 . . . . 100 GLY CA . 11516 1 1219 . 1 1 100 100 GLY N N 15 109.611 0.300 . 1 . . . . 100 GLY N . 11516 1 1220 . 1 1 101 101 GLU H H 1 7.301 0.030 . 1 . . . . 101 GLU H . 11516 1 1221 . 1 1 101 101 GLU HA H 1 4.947 0.030 . 1 . . . . 101 GLU HA . 11516 1 1222 . 1 1 101 101 GLU HB2 H 1 2.005 0.030 . 2 . . . . 101 GLU HB2 . 11516 1 1223 . 1 1 101 101 GLU HB3 H 1 1.834 0.030 . 2 . . . . 101 GLU HB3 . 11516 1 1224 . 1 1 101 101 GLU HG2 H 1 2.084 0.030 . 2 . . . . 101 GLU HG2 . 11516 1 1225 . 1 1 101 101 GLU HG3 H 1 2.050 0.030 . 2 . . . . 101 GLU HG3 . 11516 1 1226 . 1 1 101 101 GLU C C 13 175.416 0.300 . 1 . . . . 101 GLU C . 11516 1 1227 . 1 1 101 101 GLU CA C 13 54.344 0.300 . 1 . . . . 101 GLU CA . 11516 1 1228 . 1 1 101 101 GLU CB C 13 32.829 0.300 . 1 . . . . 101 GLU CB . 11516 1 1229 . 1 1 101 101 GLU CG C 13 36.221 0.300 . 1 . . . . 101 GLU CG . 11516 1 1230 . 1 1 101 101 GLU N N 15 117.081 0.300 . 1 . . . . 101 GLU N . 11516 1 1231 . 1 1 102 102 THR H H 1 9.221 0.030 . 1 . . . . 102 THR H . 11516 1 1232 . 1 1 102 102 THR HA H 1 5.080 0.030 . 1 . . . . 102 THR HA . 11516 1 1233 . 1 1 102 102 THR HB H 1 3.637 0.030 . 1 . . . . 102 THR HB . 11516 1 1234 . 1 1 102 102 THR HG21 H 1 1.022 0.030 . 1 . . . . 102 THR HG2 . 11516 1 1235 . 1 1 102 102 THR HG22 H 1 1.022 0.030 . 1 . . . . 102 THR HG2 . 11516 1 1236 . 1 1 102 102 THR HG23 H 1 1.022 0.030 . 1 . . . . 102 THR HG2 . 11516 1 1237 . 1 1 102 102 THR C C 13 173.711 0.300 . 1 . . . . 102 THR C . 11516 1 1238 . 1 1 102 102 THR CA C 13 62.826 0.300 . 1 . . . . 102 THR CA . 11516 1 1239 . 1 1 102 102 THR CB C 13 71.490 0.300 . 1 . . . . 102 THR CB . 11516 1 1240 . 1 1 102 102 THR CG2 C 13 22.283 0.300 . 1 . . . . 102 THR CG2 . 11516 1 1241 . 1 1 102 102 THR N N 15 117.643 0.300 . 1 . . . . 102 THR N . 11516 1 1242 . 1 1 103 103 GLU H H 1 9.282 0.030 . 1 . . . . 103 GLU H . 11516 1 1243 . 1 1 103 103 GLU HA H 1 4.819 0.030 . 1 . . . . 103 GLU HA . 11516 1 1244 . 1 1 103 103 GLU HB2 H 1 2.003 0.030 . 2 . . . . 103 GLU HB2 . 11516 1 1245 . 1 1 103 103 GLU HB3 H 1 1.829 0.030 . 2 . . . . 103 GLU HB3 . 11516 1 1246 . 1 1 103 103 GLU HG2 H 1 1.893 0.030 . 1 . . . . 103 GLU HG2 . 11516 1 1247 . 1 1 103 103 GLU HG3 H 1 1.893 0.030 . 1 . . . . 103 GLU HG3 . 11516 1 1248 . 1 1 103 103 GLU C C 13 173.227 0.300 . 1 . . . . 103 GLU C . 11516 1 1249 . 1 1 103 103 GLU CA C 13 55.396 0.300 . 1 . . . . 103 GLU CA . 11516 1 1250 . 1 1 103 103 GLU CB C 13 32.718 0.300 . 1 . . . . 103 GLU CB . 11516 1 1251 . 1 1 103 103 GLU CG C 13 37.156 0.300 . 1 . . . . 103 GLU CG . 11516 1 1252 . 1 1 103 103 GLU N N 15 128.725 0.300 . 1 . . . . 103 GLU N . 11516 1 1253 . 1 1 104 104 LEU H H 1 9.247 0.030 . 1 . . . . 104 LEU H . 11516 1 1254 . 1 1 104 104 LEU HA H 1 4.851 0.030 . 1 . . . . 104 LEU HA . 11516 1 1255 . 1 1 104 104 LEU HB2 H 1 1.956 0.030 . 2 . . . . 104 LEU HB2 . 11516 1 1256 . 1 1 104 104 LEU HB3 H 1 0.918 0.030 . 2 . . . . 104 LEU HB3 . 11516 1 1257 . 1 1 104 104 LEU HD11 H 1 -0.023 0.030 . 1 . . . . 104 LEU HD1 . 11516 1 1258 . 1 1 104 104 LEU HD12 H 1 -0.023 0.030 . 1 . . . . 104 LEU HD1 . 11516 1 1259 . 1 1 104 104 LEU HD13 H 1 -0.023 0.030 . 1 . . . . 104 LEU HD1 . 11516 1 1260 . 1 1 104 104 LEU HD21 H 1 0.493 0.030 . 1 . . . . 104 LEU HD2 . 11516 1 1261 . 1 1 104 104 LEU HD22 H 1 0.493 0.030 . 1 . . . . 104 LEU HD2 . 11516 1 1262 . 1 1 104 104 LEU HD23 H 1 0.493 0.030 . 1 . . . . 104 LEU HD2 . 11516 1 1263 . 1 1 104 104 LEU HG H 1 1.014 0.030 . 1 . . . . 104 LEU HG . 11516 1 1264 . 1 1 104 104 LEU C C 13 174.723 0.300 . 1 . . . . 104 LEU C . 11516 1 1265 . 1 1 104 104 LEU CA C 13 52.781 0.300 . 1 . . . . 104 LEU CA . 11516 1 1266 . 1 1 104 104 LEU CB C 13 45.208 0.300 . 1 . . . . 104 LEU CB . 11516 1 1267 . 1 1 104 104 LEU CD1 C 13 23.951 0.300 . 2 . . . . 104 LEU CD1 . 11516 1 1268 . 1 1 104 104 LEU CD2 C 13 27.037 0.300 . 2 . . . . 104 LEU CD2 . 11516 1 1269 . 1 1 104 104 LEU CG C 13 27.358 0.300 . 1 . . . . 104 LEU CG . 11516 1 1270 . 1 1 104 104 LEU N N 15 130.529 0.300 . 1 . . . . 104 LEU N . 11516 1 1271 . 1 1 105 105 CYS H H 1 8.609 0.030 . 1 . . . . 105 CYS H . 11516 1 1272 . 1 1 105 105 CYS HA H 1 4.896 0.030 . 1 . . . . 105 CYS HA . 11516 1 1273 . 1 1 105 105 CYS HB2 H 1 2.819 0.030 . 2 . . . . 105 CYS HB2 . 11516 1 1274 . 1 1 105 105 CYS HB3 H 1 2.724 0.030 . 2 . . . . 105 CYS HB3 . 11516 1 1275 . 1 1 105 105 CYS C C 13 173.187 0.300 . 1 . . . . 105 CYS C . 11516 1 1276 . 1 1 105 105 CYS CA C 13 57.010 0.300 . 1 . . . . 105 CYS CA . 11516 1 1277 . 1 1 105 105 CYS CB C 13 28.211 0.300 . 1 . . . . 105 CYS CB . 11516 1 1278 . 1 1 105 105 CYS N N 15 124.466 0.300 . 1 . . . . 105 CYS N . 11516 1 1279 . 1 1 106 106 MET H H 1 9.415 0.030 . 1 . . . . 106 MET H . 11516 1 1280 . 1 1 106 106 MET HA H 1 4.919 0.030 . 1 . . . . 106 MET HA . 11516 1 1281 . 1 1 106 106 MET HB2 H 1 1.878 0.030 . 2 . . . . 106 MET HB2 . 11516 1 1282 . 1 1 106 106 MET HB3 H 1 1.394 0.030 . 2 . . . . 106 MET HB3 . 11516 1 1283 . 1 1 106 106 MET HE1 H 1 0.463 0.030 . 1 . . . . 106 MET HE . 11516 1 1284 . 1 1 106 106 MET HE2 H 1 0.463 0.030 . 1 . . . . 106 MET HE . 11516 1 1285 . 1 1 106 106 MET HE3 H 1 0.463 0.030 . 1 . . . . 106 MET HE . 11516 1 1286 . 1 1 106 106 MET HG2 H 1 1.419 0.030 . 2 . . . . 106 MET HG2 . 11516 1 1287 . 1 1 106 106 MET HG3 H 1 1.148 0.030 . 2 . . . . 106 MET HG3 . 11516 1 1288 . 1 1 106 106 MET C C 13 173.770 0.300 . 1 . . . . 106 MET C . 11516 1 1289 . 1 1 106 106 MET CA C 13 54.130 0.300 . 1 . . . . 106 MET CA . 11516 1 1290 . 1 1 106 106 MET CB C 13 34.907 0.300 . 1 . . . . 106 MET CB . 11516 1 1291 . 1 1 106 106 MET CE C 13 17.041 0.300 . 1 . . . . 106 MET CE . 11516 1 1292 . 1 1 106 106 MET CG C 13 32.612 0.300 . 1 . . . . 106 MET CG . 11516 1 1293 . 1 1 106 106 MET N N 15 130.049 0.300 . 1 . . . . 106 MET N . 11516 1 1294 . 1 1 107 107 GLU H H 1 8.716 0.030 . 1 . . . . 107 GLU H . 11516 1 1295 . 1 1 107 107 GLU HA H 1 5.063 0.030 . 1 . . . . 107 GLU HA . 11516 1 1296 . 1 1 107 107 GLU HB2 H 1 1.954 0.030 . 2 . . . . 107 GLU HB2 . 11516 1 1297 . 1 1 107 107 GLU HB3 H 1 1.858 0.030 . 2 . . . . 107 GLU HB3 . 11516 1 1298 . 1 1 107 107 GLU HG2 H 1 2.189 0.030 . 2 . . . . 107 GLU HG2 . 11516 1 1299 . 1 1 107 107 GLU HG3 H 1 2.016 0.030 . 2 . . . . 107 GLU HG3 . 11516 1 1300 . 1 1 107 107 GLU C C 13 175.048 0.300 . 1 . . . . 107 GLU C . 11516 1 1301 . 1 1 107 107 GLU CA C 13 54.948 0.300 . 1 . . . . 107 GLU CA . 11516 1 1302 . 1 1 107 107 GLU CB C 13 32.761 0.300 . 1 . . . . 107 GLU CB . 11516 1 1303 . 1 1 107 107 GLU CG C 13 36.759 0.300 . 1 . . . . 107 GLU CG . 11516 1 1304 . 1 1 107 107 GLU N N 15 126.382 0.300 . 1 . . . . 107 GLU N . 11516 1 1305 . 1 1 108 108 GLY H H 1 9.421 0.030 . 1 . . . . 108 GLY H . 11516 1 1306 . 1 1 108 108 GLY HA2 H 1 5.332 0.030 . 2 . . . . 108 GLY HA2 . 11516 1 1307 . 1 1 108 108 GLY HA3 H 1 2.990 0.030 . 2 . . . . 108 GLY HA3 . 11516 1 1308 . 1 1 108 108 GLY C C 13 171.457 0.300 . 1 . . . . 108 GLY C . 11516 1 1309 . 1 1 108 108 GLY CA C 13 44.948 0.300 . 1 . . . . 108 GLY CA . 11516 1 1310 . 1 1 108 108 GLY N N 15 113.066 0.300 . 1 . . . . 108 GLY N . 11516 1 1311 . 1 1 109 109 ARG H H 1 9.025 0.030 . 1 . . . . 109 ARG H . 11516 1 1312 . 1 1 109 109 ARG HA H 1 5.058 0.030 . 1 . . . . 109 ARG HA . 11516 1 1313 . 1 1 109 109 ARG HB2 H 1 1.941 0.030 . 2 . . . . 109 ARG HB2 . 11516 1 1314 . 1 1 109 109 ARG HB3 H 1 1.817 0.030 . 2 . . . . 109 ARG HB3 . 11516 1 1315 . 1 1 109 109 ARG HD2 H 1 3.218 0.030 . 2 . . . . 109 ARG HD2 . 11516 1 1316 . 1 1 109 109 ARG HD3 H 1 3.165 0.030 . 2 . . . . 109 ARG HD3 . 11516 1 1317 . 1 1 109 109 ARG HG2 H 1 1.621 0.030 . 1 . . . . 109 ARG HG2 . 11516 1 1318 . 1 1 109 109 ARG HG3 H 1 1.621 0.030 . 1 . . . . 109 ARG HG3 . 11516 1 1319 . 1 1 109 109 ARG C C 13 175.673 0.300 . 1 . . . . 109 ARG C . 11516 1 1320 . 1 1 109 109 ARG CA C 13 54.523 0.300 . 1 . . . . 109 ARG CA . 11516 1 1321 . 1 1 109 109 ARG CB C 13 33.125 0.300 . 1 . . . . 109 ARG CB . 11516 1 1322 . 1 1 109 109 ARG CD C 13 43.458 0.300 . 1 . . . . 109 ARG CD . 11516 1 1323 . 1 1 109 109 ARG CG C 13 27.401 0.300 . 1 . . . . 109 ARG CG . 11516 1 1324 . 1 1 109 109 ARG N N 15 122.196 0.300 . 1 . . . . 109 ARG N . 11516 1 1325 . 1 1 110 110 GLY HA2 H 1 4.562 0.030 . 2 . . . . 110 GLY HA2 . 11516 1 1326 . 1 1 110 110 GLY HA3 H 1 3.701 0.030 . 2 . . . . 110 GLY HA3 . 11516 1 1327 . 1 1 110 110 GLY C C 13 174.332 0.300 . 1 . . . . 110 GLY C . 11516 1 1328 . 1 1 110 110 GLY CA C 13 46.263 0.300 . 1 . . . . 110 GLY CA . 11516 1 1329 . 1 1 111 111 ILE H H 1 7.974 0.030 . 1 . . . . 111 ILE H . 11516 1 1330 . 1 1 111 111 ILE HA H 1 3.863 0.030 . 1 . . . . 111 ILE HA . 11516 1 1331 . 1 1 111 111 ILE HB H 1 2.081 0.030 . 1 . . . . 111 ILE HB . 11516 1 1332 . 1 1 111 111 ILE HD11 H 1 0.814 0.030 . 1 . . . . 111 ILE HD1 . 11516 1 1333 . 1 1 111 111 ILE HD12 H 1 0.814 0.030 . 1 . . . . 111 ILE HD1 . 11516 1 1334 . 1 1 111 111 ILE HD13 H 1 0.814 0.030 . 1 . . . . 111 ILE HD1 . 11516 1 1335 . 1 1 111 111 ILE HG12 H 1 1.557 0.030 . 2 . . . . 111 ILE HG12 . 11516 1 1336 . 1 1 111 111 ILE HG13 H 1 1.313 0.030 . 2 . . . . 111 ILE HG13 . 11516 1 1337 . 1 1 111 111 ILE HG21 H 1 0.789 0.030 . 1 . . . . 111 ILE HG2 . 11516 1 1338 . 1 1 111 111 ILE HG22 H 1 0.789 0.030 . 1 . . . . 111 ILE HG2 . 11516 1 1339 . 1 1 111 111 ILE HG23 H 1 0.789 0.030 . 1 . . . . 111 ILE HG2 . 11516 1 1340 . 1 1 111 111 ILE C C 13 174.043 0.300 . 1 . . . . 111 ILE C . 11516 1 1341 . 1 1 111 111 ILE CA C 13 59.565 0.300 . 1 . . . . 111 ILE CA . 11516 1 1342 . 1 1 111 111 ILE CB C 13 39.196 0.300 . 1 . . . . 111 ILE CB . 11516 1 1343 . 1 1 111 111 ILE CD1 C 13 15.326 0.300 . 1 . . . . 111 ILE CD1 . 11516 1 1344 . 1 1 111 111 ILE CG1 C 13 30.843 0.300 . 1 . . . . 111 ILE CG1 . 11516 1 1345 . 1 1 111 111 ILE CG2 C 13 17.178 0.300 . 1 . . . . 111 ILE CG2 . 11516 1 1346 . 1 1 111 111 ILE N N 15 123.606 0.300 . 1 . . . . 111 ILE N . 11516 1 1347 . 1 1 112 112 PRO HA H 1 4.006 0.030 . 1 . . . . 112 PRO HA . 11516 1 1348 . 1 1 112 112 PRO HB2 H 1 1.903 0.030 . 2 . . . . 112 PRO HB2 . 11516 1 1349 . 1 1 112 112 PRO HB3 H 1 1.122 0.030 . 2 . . . . 112 PRO HB3 . 11516 1 1350 . 1 1 112 112 PRO HD2 H 1 2.754 0.030 . 2 . . . . 112 PRO HD2 . 11516 1 1351 . 1 1 112 112 PRO HD3 H 1 1.773 0.030 . 2 . . . . 112 PRO HD3 . 11516 1 1352 . 1 1 112 112 PRO HG2 H 1 0.582 0.030 . 2 . . . . 112 PRO HG2 . 11516 1 1353 . 1 1 112 112 PRO HG3 H 1 0.380 0.030 . 2 . . . . 112 PRO HG3 . 11516 1 1354 . 1 1 112 112 PRO C C 13 177.359 0.300 . 1 . . . . 112 PRO C . 11516 1 1355 . 1 1 112 112 PRO CA C 13 63.150 0.300 . 1 . . . . 112 PRO CA . 11516 1 1356 . 1 1 112 112 PRO CB C 13 31.031 0.300 . 1 . . . . 112 PRO CB . 11516 1 1357 . 1 1 112 112 PRO CD C 13 48.608 0.300 . 1 . . . . 112 PRO CD . 11516 1 1358 . 1 1 112 112 PRO CG C 13 27.028 0.300 . 1 . . . . 112 PRO CG . 11516 1 1359 . 1 1 113 113 ALA H H 1 8.614 0.030 . 1 . . . . 113 ALA H . 11516 1 1360 . 1 1 113 113 ALA HA H 1 4.184 0.030 . 1 . . . . 113 ALA HA . 11516 1 1361 . 1 1 113 113 ALA HB1 H 1 1.256 0.030 . 1 . . . . 113 ALA HB . 11516 1 1362 . 1 1 113 113 ALA HB2 H 1 1.256 0.030 . 1 . . . . 113 ALA HB . 11516 1 1363 . 1 1 113 113 ALA HB3 H 1 1.256 0.030 . 1 . . . . 113 ALA HB . 11516 1 1364 . 1 1 113 113 ALA C C 13 176.854 0.300 . 1 . . . . 113 ALA C . 11516 1 1365 . 1 1 113 113 ALA CA C 13 57.222 0.300 . 1 . . . . 113 ALA CA . 11516 1 1366 . 1 1 113 113 ALA CB C 13 16.076 0.300 . 1 . . . . 113 ALA CB . 11516 1 1367 . 1 1 113 113 ALA N N 15 128.869 0.300 . 1 . . . . 113 ALA N . 11516 1 1368 . 1 1 114 114 PRO HA H 1 4.605 0.030 . 1 . . . . 114 PRO HA . 11516 1 1369 . 1 1 114 114 PRO HB2 H 1 2.425 0.030 . 2 . . . . 114 PRO HB2 . 11516 1 1370 . 1 1 114 114 PRO HB3 H 1 1.876 0.030 . 2 . . . . 114 PRO HB3 . 11516 1 1371 . 1 1 114 114 PRO HD2 H 1 3.704 0.030 . 2 . . . . 114 PRO HD2 . 11516 1 1372 . 1 1 114 114 PRO HD3 H 1 3.286 0.030 . 2 . . . . 114 PRO HD3 . 11516 1 1373 . 1 1 114 114 PRO HG2 H 1 1.940 0.030 . 1 . . . . 114 PRO HG2 . 11516 1 1374 . 1 1 114 114 PRO HG3 H 1 1.940 0.030 . 1 . . . . 114 PRO HG3 . 11516 1 1375 . 1 1 114 114 PRO C C 13 177.323 0.300 . 1 . . . . 114 PRO C . 11516 1 1376 . 1 1 114 114 PRO CA C 13 64.987 0.300 . 1 . . . . 114 PRO CA . 11516 1 1377 . 1 1 114 114 PRO CB C 13 31.433 0.300 . 1 . . . . 114 PRO CB . 11516 1 1378 . 1 1 114 114 PRO CD C 13 51.003 0.300 . 1 . . . . 114 PRO CD . 11516 1 1379 . 1 1 114 114 PRO CG C 13 28.083 0.300 . 1 . . . . 114 PRO CG . 11516 1 1380 . 1 1 115 115 GLU H H 1 7.863 0.030 . 1 . . . . 115 GLU H . 11516 1 1381 . 1 1 115 115 GLU HA H 1 4.552 0.030 . 1 . . . . 115 GLU HA . 11516 1 1382 . 1 1 115 115 GLU HB2 H 1 2.831 0.030 . 2 . . . . 115 GLU HB2 . 11516 1 1383 . 1 1 115 115 GLU HB3 H 1 1.825 0.030 . 2 . . . . 115 GLU HB3 . 11516 1 1384 . 1 1 115 115 GLU HG2 H 1 2.014 0.030 . 2 . . . . 115 GLU HG2 . 11516 1 1385 . 1 1 115 115 GLU HG3 H 1 1.907 0.030 . 2 . . . . 115 GLU HG3 . 11516 1 1386 . 1 1 115 115 GLU C C 13 176.983 0.300 . 1 . . . . 115 GLU C . 11516 1 1387 . 1 1 115 115 GLU CA C 13 54.959 0.300 . 1 . . . . 115 GLU CA . 11516 1 1388 . 1 1 115 115 GLU CB C 13 29.780 0.300 . 1 . . . . 115 GLU CB . 11516 1 1389 . 1 1 115 115 GLU CG C 13 35.693 0.300 . 1 . . . . 115 GLU CG . 11516 1 1390 . 1 1 115 115 GLU N N 15 113.869 0.300 . 1 . . . . 115 GLU N . 11516 1 1391 . 1 1 116 116 GLU H H 1 7.548 0.030 . 1 . . . . 116 GLU H . 11516 1 1392 . 1 1 116 116 GLU HA H 1 3.498 0.030 . 1 . . . . 116 GLU HA . 11516 1 1393 . 1 1 116 116 GLU HB2 H 1 2.512 0.030 . 2 . . . . 116 GLU HB2 . 11516 1 1394 . 1 1 116 116 GLU HB3 H 1 2.074 0.030 . 2 . . . . 116 GLU HB3 . 11516 1 1395 . 1 1 116 116 GLU HG2 H 1 2.209 0.030 . 2 . . . . 116 GLU HG2 . 11516 1 1396 . 1 1 116 116 GLU HG3 H 1 2.056 0.030 . 2 . . . . 116 GLU HG3 . 11516 1 1397 . 1 1 116 116 GLU C C 13 176.838 0.300 . 1 . . . . 116 GLU C . 11516 1 1398 . 1 1 116 116 GLU CA C 13 61.822 0.300 . 1 . . . . 116 GLU CA . 11516 1 1399 . 1 1 116 116 GLU CB C 13 29.773 0.300 . 1 . . . . 116 GLU CB . 11516 1 1400 . 1 1 116 116 GLU CG C 13 35.369 0.300 . 1 . . . . 116 GLU CG . 11516 1 1401 . 1 1 116 116 GLU N N 15 125.830 0.300 . 1 . . . . 116 GLU N . 11516 1 1402 . 1 1 117 117 GLU H H 1 8.693 0.030 . 1 . . . . 117 GLU H . 11516 1 1403 . 1 1 117 117 GLU HA H 1 4.137 0.030 . 1 . . . . 117 GLU HA . 11516 1 1404 . 1 1 117 117 GLU HB2 H 1 2.086 0.030 . 2 . . . . 117 GLU HB2 . 11516 1 1405 . 1 1 117 117 GLU HB3 H 1 2.030 0.030 . 2 . . . . 117 GLU HB3 . 11516 1 1406 . 1 1 117 117 GLU HG2 H 1 2.276 0.030 . 1 . . . . 117 GLU HG2 . 11516 1 1407 . 1 1 117 117 GLU HG3 H 1 2.276 0.030 . 1 . . . . 117 GLU HG3 . 11516 1 1408 . 1 1 117 117 GLU C C 13 178.814 0.300 . 1 . . . . 117 GLU C . 11516 1 1409 . 1 1 117 117 GLU CA C 13 59.679 0.300 . 1 . . . . 117 GLU CA . 11516 1 1410 . 1 1 117 117 GLU CB C 13 28.836 0.300 . 1 . . . . 117 GLU CB . 11516 1 1411 . 1 1 117 117 GLU CG C 13 35.841 0.300 . 1 . . . . 117 GLU CG . 11516 1 1412 . 1 1 117 117 GLU N N 15 119.636 0.300 . 1 . . . . 117 GLU N . 11516 1 1413 . 1 1 118 118 ARG H H 1 8.665 0.030 . 1 . . . . 118 ARG H . 11516 1 1414 . 1 1 118 118 ARG HA H 1 4.062 0.030 . 1 . . . . 118 ARG HA . 11516 1 1415 . 1 1 118 118 ARG HB2 H 1 2.040 0.030 . 2 . . . . 118 ARG HB2 . 11516 1 1416 . 1 1 118 118 ARG HB3 H 1 1.719 0.030 . 2 . . . . 118 ARG HB3 . 11516 1 1417 . 1 1 118 118 ARG HD2 H 1 3.167 0.030 . 2 . . . . 118 ARG HD2 . 11516 1 1418 . 1 1 118 118 ARG HD3 H 1 2.997 0.030 . 2 . . . . 118 ARG HD3 . 11516 1 1419 . 1 1 118 118 ARG HG2 H 1 1.686 0.030 . 2 . . . . 118 ARG HG2 . 11516 1 1420 . 1 1 118 118 ARG HG3 H 1 1.531 0.030 . 2 . . . . 118 ARG HG3 . 11516 1 1421 . 1 1 118 118 ARG C C 13 180.564 0.300 . 1 . . . . 118 ARG C . 11516 1 1422 . 1 1 118 118 ARG CA C 13 59.561 0.300 . 1 . . . . 118 ARG CA . 11516 1 1423 . 1 1 118 118 ARG CB C 13 30.636 0.300 . 1 . . . . 118 ARG CB . 11516 1 1424 . 1 1 118 118 ARG CD C 13 43.866 0.300 . 1 . . . . 118 ARG CD . 11516 1 1425 . 1 1 118 118 ARG CG C 13 27.472 0.300 . 1 . . . . 118 ARG CG . 11516 1 1426 . 1 1 118 118 ARG N N 15 119.938 0.300 . 1 . . . . 118 ARG N . 11516 1 1427 . 1 1 119 119 THR H H 1 8.617 0.030 . 1 . . . . 119 THR H . 11516 1 1428 . 1 1 119 119 THR HA H 1 4.430 0.030 . 1 . . . . 119 THR HA . 11516 1 1429 . 1 1 119 119 THR HB H 1 4.333 0.030 . 1 . . . . 119 THR HB . 11516 1 1430 . 1 1 119 119 THR C C 13 175.709 0.300 . 1 . . . . 119 THR C . 11516 1 1431 . 1 1 119 119 THR CA C 13 68.515 0.300 . 1 . . . . 119 THR CA . 11516 1 1432 . 1 1 119 119 THR CB C 13 67.942 0.300 . 1 . . . . 119 THR CB . 11516 1 1433 . 1 1 119 119 THR CG2 C 13 21.585 0.300 . 1 . . . . 119 THR CG2 . 11516 1 1434 . 1 1 119 119 THR N N 15 117.533 0.300 . 1 . . . . 119 THR N . 11516 1 1435 . 1 1 120 120 ARG H H 1 8.574 0.030 . 1 . . . . 120 ARG H . 11516 1 1436 . 1 1 120 120 ARG HA H 1 3.768 0.030 . 1 . . . . 120 ARG HA . 11516 1 1437 . 1 1 120 120 ARG HB2 H 1 2.047 0.030 . 2 . . . . 120 ARG HB2 . 11516 1 1438 . 1 1 120 120 ARG HB3 H 1 1.934 0.030 . 2 . . . . 120 ARG HB3 . 11516 1 1439 . 1 1 120 120 ARG HD2 H 1 3.355 0.030 . 1 . . . . 120 ARG HD2 . 11516 1 1440 . 1 1 120 120 ARG HD3 H 1 3.355 0.030 . 1 . . . . 120 ARG HD3 . 11516 1 1441 . 1 1 120 120 ARG HE H 1 7.907 0.030 . 1 . . . . 120 ARG HE . 11516 1 1442 . 1 1 120 120 ARG HG2 H 1 1.699 0.030 . 2 . . . . 120 ARG HG2 . 11516 1 1443 . 1 1 120 120 ARG HG3 H 1 1.581 0.030 . 2 . . . . 120 ARG HG3 . 11516 1 1444 . 1 1 120 120 ARG C C 13 178.156 0.300 . 1 . . . . 120 ARG C . 11516 1 1445 . 1 1 120 120 ARG CA C 13 61.207 0.300 . 1 . . . . 120 ARG CA . 11516 1 1446 . 1 1 120 120 ARG CB C 13 30.544 0.300 . 1 . . . . 120 ARG CB . 11516 1 1447 . 1 1 120 120 ARG CD C 13 43.124 0.300 . 1 . . . . 120 ARG CD . 11516 1 1448 . 1 1 120 120 ARG CG C 13 28.592 0.300 . 1 . . . . 120 ARG CG . 11516 1 1449 . 1 1 120 120 ARG N N 15 123.715 0.300 . 1 . . . . 120 ARG N . 11516 1 1450 . 1 1 120 120 ARG NE N 15 84.173 0.300 . 1 . . . . 120 ARG NE . 11516 1 1451 . 1 1 121 121 GLN H H 1 8.841 0.030 . 1 . . . . 121 GLN H . 11516 1 1452 . 1 1 121 121 GLN HA H 1 4.160 0.030 . 1 . . . . 121 GLN HA . 11516 1 1453 . 1 1 121 121 GLN HB2 H 1 2.149 0.030 . 2 . . . . 121 GLN HB2 . 11516 1 1454 . 1 1 121 121 GLN HB3 H 1 2.075 0.030 . 2 . . . . 121 GLN HB3 . 11516 1 1455 . 1 1 121 121 GLN HE21 H 1 7.767 0.030 . 2 . . . . 121 GLN HE21 . 11516 1 1456 . 1 1 121 121 GLN HE22 H 1 6.810 0.030 . 2 . . . . 121 GLN HE22 . 11516 1 1457 . 1 1 121 121 GLN HG2 H 1 2.647 0.030 . 2 . . . . 121 GLN HG2 . 11516 1 1458 . 1 1 121 121 GLN HG3 H 1 2.431 0.030 . 2 . . . . 121 GLN HG3 . 11516 1 1459 . 1 1 121 121 GLN C C 13 178.981 0.300 . 1 . . . . 121 GLN C . 11516 1 1460 . 1 1 121 121 GLN CA C 13 58.710 0.300 . 1 . . . . 121 GLN CA . 11516 1 1461 . 1 1 121 121 GLN CB C 13 28.248 0.300 . 1 . . . . 121 GLN CB . 11516 1 1462 . 1 1 121 121 GLN CG C 13 34.217 0.300 . 1 . . . . 121 GLN CG . 11516 1 1463 . 1 1 121 121 GLN N N 15 116.051 0.300 . 1 . . . . 121 GLN N . 11516 1 1464 . 1 1 121 121 GLN NE2 N 15 111.969 0.300 . 1 . . . . 121 GLN NE2 . 11516 1 1465 . 1 1 122 122 GLY H H 1 8.611 0.030 . 1 . . . . 122 GLY H . 11516 1 1466 . 1 1 122 122 GLY HA2 H 1 3.868 0.030 . 2 . . . . 122 GLY HA2 . 11516 1 1467 . 1 1 122 122 GLY C C 13 175.597 0.300 . 1 . . . . 122 GLY C . 11516 1 1468 . 1 1 122 122 GLY CA C 13 47.140 0.300 . 1 . . . . 122 GLY CA . 11516 1 1469 . 1 1 122 122 GLY N N 15 108.775 0.300 . 1 . . . . 122 GLY N . 11516 1 1470 . 1 1 123 123 TRP H H 1 8.534 0.030 . 1 . . . . 123 TRP H . 11516 1 1471 . 1 1 123 123 TRP HA H 1 3.980 0.030 . 1 . . . . 123 TRP HA . 11516 1 1472 . 1 1 123 123 TRP HB2 H 1 2.907 0.030 . 2 . . . . 123 TRP HB2 . 11516 1 1473 . 1 1 123 123 TRP HB3 H 1 2.553 0.030 . 2 . . . . 123 TRP HB3 . 11516 1 1474 . 1 1 123 123 TRP HD1 H 1 6.872 0.030 . 1 . . . . 123 TRP HD1 . 11516 1 1475 . 1 1 123 123 TRP HE1 H 1 5.403 0.030 . 1 . . . . 123 TRP HE1 . 11516 1 1476 . 1 1 123 123 TRP HE3 H 1 6.890 0.030 . 1 . . . . 123 TRP HE3 . 11516 1 1477 . 1 1 123 123 TRP HH2 H 1 6.328 0.030 . 1 . . . . 123 TRP HH2 . 11516 1 1478 . 1 1 123 123 TRP HZ2 H 1 5.817 0.030 . 1 . . . . 123 TRP HZ2 . 11516 1 1479 . 1 1 123 123 TRP HZ3 H 1 6.287 0.030 . 1 . . . . 123 TRP HZ3 . 11516 1 1480 . 1 1 123 123 TRP C C 13 178.095 0.300 . 1 . . . . 123 TRP C . 11516 1 1481 . 1 1 123 123 TRP CB C 13 27.809 0.300 . 1 . . . . 123 TRP CB . 11516 1 1482 . 1 1 123 123 TRP CD1 C 13 123.991 0.300 . 1 . . . . 123 TRP CD1 . 11516 1 1483 . 1 1 123 123 TRP CE3 C 13 119.257 0.300 . 1 . . . . 123 TRP CE3 . 11516 1 1484 . 1 1 123 123 TRP CH2 C 13 123.612 0.300 . 1 . . . . 123 TRP CH2 . 11516 1 1485 . 1 1 123 123 TRP CZ2 C 13 113.530 0.300 . 1 . . . . 123 TRP CZ2 . 11516 1 1486 . 1 1 123 123 TRP CZ3 C 13 120.721 0.300 . 1 . . . . 123 TRP CZ3 . 11516 1 1487 . 1 1 123 123 TRP N N 15 122.462 0.300 . 1 . . . . 123 TRP N . 11516 1 1488 . 1 1 123 123 TRP NE1 N 15 121.953 0.300 . 1 . . . . 123 TRP NE1 . 11516 1 1489 . 1 1 124 124 GLN H H 1 8.136 0.030 . 1 . . . . 124 GLN H . 11516 1 1490 . 1 1 124 124 GLN HA H 1 3.950 0.030 . 1 . . . . 124 GLN HA . 11516 1 1491 . 1 1 124 124 GLN HB2 H 1 2.331 0.030 . 2 . . . . 124 GLN HB2 . 11516 1 1492 . 1 1 124 124 GLN HB3 H 1 2.202 0.030 . 2 . . . . 124 GLN HB3 . 11516 1 1493 . 1 1 124 124 GLN HE21 H 1 7.585 0.030 . 2 . . . . 124 GLN HE21 . 11516 1 1494 . 1 1 124 124 GLN HE22 H 1 7.104 0.030 . 2 . . . . 124 GLN HE22 . 11516 1 1495 . 1 1 124 124 GLN HG2 H 1 2.586 0.030 . 2 . . . . 124 GLN HG2 . 11516 1 1496 . 1 1 124 124 GLN HG3 H 1 2.504 0.030 . 2 . . . . 124 GLN HG3 . 11516 1 1497 . 1 1 124 124 GLN C C 13 176.959 0.300 . 1 . . . . 124 GLN C . 11516 1 1498 . 1 1 124 124 GLN CA C 13 59.733 0.300 . 1 . . . . 124 GLN CA . 11516 1 1499 . 1 1 124 124 GLN CB C 13 28.799 0.300 . 1 . . . . 124 GLN CB . 11516 1 1500 . 1 1 124 124 GLN CG C 13 34.191 0.300 . 1 . . . . 124 GLN CG . 11516 1 1501 . 1 1 124 124 GLN N N 15 117.540 0.300 . 1 . . . . 124 GLN N . 11516 1 1502 . 1 1 124 124 GLN NE2 N 15 111.969 0.300 . 1 . . . . 124 GLN NE2 . 11516 1 1503 . 1 1 125 125 ARG H H 1 8.540 0.030 . 1 . . . . 125 ARG H . 11516 1 1504 . 1 1 125 125 ARG HA H 1 4.229 0.030 . 1 . . . . 125 ARG HA . 11516 1 1505 . 1 1 125 125 ARG HB2 H 1 1.767 0.030 . 2 . . . . 125 ARG HB2 . 11516 1 1506 . 1 1 125 125 ARG HB3 H 1 1.557 0.030 . 2 . . . . 125 ARG HB3 . 11516 1 1507 . 1 1 125 125 ARG HD2 H 1 2.967 0.030 . 1 . . . . 125 ARG HD2 . 11516 1 1508 . 1 1 125 125 ARG HD3 H 1 2.967 0.030 . 1 . . . . 125 ARG HD3 . 11516 1 1509 . 1 1 125 125 ARG HG2 H 1 1.557 0.030 . 2 . . . . 125 ARG HG2 . 11516 1 1510 . 1 1 125 125 ARG HG3 H 1 1.303 0.030 . 2 . . . . 125 ARG HG3 . 11516 1 1511 . 1 1 125 125 ARG C C 13 178.452 0.300 . 1 . . . . 125 ARG C . 11516 1 1512 . 1 1 125 125 ARG CA C 13 58.850 0.300 . 1 . . . . 125 ARG CA . 11516 1 1513 . 1 1 125 125 ARG CB C 13 31.215 0.300 . 1 . . . . 125 ARG CB . 11516 1 1514 . 1 1 125 125 ARG CD C 13 43.427 0.300 . 1 . . . . 125 ARG CD . 11516 1 1515 . 1 1 125 125 ARG CG C 13 27.056 0.300 . 1 . . . . 125 ARG CG . 11516 1 1516 . 1 1 125 125 ARG N N 15 116.330 0.300 . 1 . . . . 125 ARG N . 11516 1 1517 . 1 1 126 126 TYR H H 1 8.615 0.030 . 1 . . . . 126 TYR H . 11516 1 1518 . 1 1 126 126 TYR HA H 1 4.464 0.030 . 1 . . . . 126 TYR HA . 11516 1 1519 . 1 1 126 126 TYR HB2 H 1 2.795 0.030 . 2 . . . . 126 TYR HB2 . 11516 1 1520 . 1 1 126 126 TYR HB3 H 1 2.532 0.030 . 2 . . . . 126 TYR HB3 . 11516 1 1521 . 1 1 126 126 TYR HD1 H 1 7.069 0.030 . 1 . . . . 126 TYR HD1 . 11516 1 1522 . 1 1 126 126 TYR HD2 H 1 7.069 0.030 . 1 . . . . 126 TYR HD2 . 11516 1 1523 . 1 1 126 126 TYR HE1 H 1 6.887 0.030 . 1 . . . . 126 TYR HE1 . 11516 1 1524 . 1 1 126 126 TYR HE2 H 1 6.887 0.030 . 1 . . . . 126 TYR HE2 . 11516 1 1525 . 1 1 126 126 TYR C C 13 176.880 0.300 . 1 . . . . 126 TYR C . 11516 1 1526 . 1 1 126 126 TYR CA C 13 59.541 0.300 . 1 . . . . 126 TYR CA . 11516 1 1527 . 1 1 126 126 TYR CB C 13 37.554 0.300 . 1 . . . . 126 TYR CB . 11516 1 1528 . 1 1 126 126 TYR CD1 C 13 132.053 0.300 . 1 . . . . 126 TYR CD1 . 11516 1 1529 . 1 1 126 126 TYR CD2 C 13 132.053 0.300 . 1 . . . . 126 TYR CD2 . 11516 1 1530 . 1 1 126 126 TYR CE1 C 13 117.931 0.300 . 1 . . . . 126 TYR CE1 . 11516 1 1531 . 1 1 126 126 TYR CE2 C 13 117.931 0.300 . 1 . . . . 126 TYR CE2 . 11516 1 1532 . 1 1 126 126 TYR N N 15 116.060 0.300 . 1 . . . . 126 TYR N . 11516 1 1533 . 1 1 127 127 TYR HA H 1 4.676 0.030 . 1 . . . . 127 TYR HA . 11516 1 1534 . 1 1 127 127 TYR HB2 H 1 3.272 0.030 . 2 . . . . 127 TYR HB2 . 11516 1 1535 . 1 1 127 127 TYR HB3 H 1 2.563 0.030 . 2 . . . . 127 TYR HB3 . 11516 1 1536 . 1 1 127 127 TYR HD1 H 1 6.560 0.030 . 1 . . . . 127 TYR HD1 . 11516 1 1537 . 1 1 127 127 TYR HD2 H 1 6.560 0.030 . 1 . . . . 127 TYR HD2 . 11516 1 1538 . 1 1 127 127 TYR HE1 H 1 6.149 0.030 . 1 . . . . 127 TYR HE1 . 11516 1 1539 . 1 1 127 127 TYR HE2 H 1 6.149 0.030 . 1 . . . . 127 TYR HE2 . 11516 1 1540 . 1 1 127 127 TYR CA C 13 59.090 0.300 . 1 . . . . 127 TYR CA . 11516 1 1541 . 1 1 127 127 TYR CB C 13 38.825 0.300 . 1 . . . . 127 TYR CB . 11516 1 1542 . 1 1 127 127 TYR CD1 C 13 133.225 0.300 . 1 . . . . 127 TYR CD1 . 11516 1 1543 . 1 1 127 127 TYR CD2 C 13 133.225 0.300 . 1 . . . . 127 TYR CD2 . 11516 1 1544 . 1 1 127 127 TYR CE1 C 13 115.755 0.300 . 1 . . . . 127 TYR CE1 . 11516 1 1545 . 1 1 127 127 TYR CE2 C 13 115.755 0.300 . 1 . . . . 127 TYR CE2 . 11516 1 1546 . 1 1 128 128 PHE HA H 1 4.664 0.030 . 1 . . . . 128 PHE HA . 11516 1 1547 . 1 1 128 128 PHE HB2 H 1 3.889 0.030 . 2 . . . . 128 PHE HB2 . 11516 1 1548 . 1 1 128 128 PHE HB3 H 1 3.339 0.030 . 2 . . . . 128 PHE HB3 . 11516 1 1549 . 1 1 128 128 PHE HD1 H 1 7.416 0.030 . 1 . . . . 128 PHE HD1 . 11516 1 1550 . 1 1 128 128 PHE HD2 H 1 7.416 0.030 . 1 . . . . 128 PHE HD2 . 11516 1 1551 . 1 1 128 128 PHE HE1 H 1 7.413 0.030 . 1 . . . . 128 PHE HE1 . 11516 1 1552 . 1 1 128 128 PHE HE2 H 1 7.413 0.030 . 1 . . . . 128 PHE HE2 . 11516 1 1553 . 1 1 128 128 PHE HZ H 1 6.925 0.030 . 1 . . . . 128 PHE HZ . 11516 1 1554 . 1 1 128 128 PHE C C 13 177.503 0.300 . 1 . . . . 128 PHE C . 11516 1 1555 . 1 1 128 128 PHE CA C 13 60.012 0.300 . 1 . . . . 128 PHE CA . 11516 1 1556 . 1 1 128 128 PHE CB C 13 36.517 0.300 . 1 . . . . 128 PHE CB . 11516 1 1557 . 1 1 128 128 PHE CD1 C 13 130.759 0.300 . 1 . . . . 128 PHE CD1 . 11516 1 1558 . 1 1 128 128 PHE CD2 C 13 130.759 0.300 . 1 . . . . 128 PHE CD2 . 11516 1 1559 . 1 1 128 128 PHE CE1 C 13 131.268 0.300 . 1 . . . . 128 PHE CE1 . 11516 1 1560 . 1 1 128 128 PHE CE2 C 13 131.268 0.300 . 1 . . . . 128 PHE CE2 . 11516 1 1561 . 1 1 128 128 PHE CZ C 13 128.502 0.300 . 1 . . . . 128 PHE CZ . 11516 1 1562 . 1 1 129 129 GLU H H 1 9.118 0.030 . 1 . . . . 129 GLU H . 11516 1 1563 . 1 1 129 129 GLU HA H 1 4.172 0.030 . 1 . . . . 129 GLU HA . 11516 1 1564 . 1 1 129 129 GLU HB2 H 1 2.372 0.030 . 2 . . . . 129 GLU HB2 . 11516 1 1565 . 1 1 129 129 GLU HB3 H 1 2.241 0.030 . 2 . . . . 129 GLU HB3 . 11516 1 1566 . 1 1 129 129 GLU HG2 H 1 2.492 0.030 . 2 . . . . 129 GLU HG2 . 11516 1 1567 . 1 1 129 129 GLU HG3 H 1 2.354 0.030 . 2 . . . . 129 GLU HG3 . 11516 1 1568 . 1 1 129 129 GLU C C 13 179.626 0.300 . 1 . . . . 129 GLU C . 11516 1 1569 . 1 1 129 129 GLU CA C 13 59.529 0.300 . 1 . . . . 129 GLU CA . 11516 1 1570 . 1 1 129 129 GLU CB C 13 29.372 0.300 . 1 . . . . 129 GLU CB . 11516 1 1571 . 1 1 129 129 GLU CG C 13 36.678 0.300 . 1 . . . . 129 GLU CG . 11516 1 1572 . 1 1 129 129 GLU N N 15 118.215 0.300 . 1 . . . . 129 GLU N . 11516 1 1573 . 1 1 130 130 GLY H H 1 6.984 0.030 . 1 . . . . 130 GLY H . 11516 1 1574 . 1 1 130 130 GLY HA2 H 1 4.117 0.030 . 2 . . . . 130 GLY HA2 . 11516 1 1575 . 1 1 130 130 GLY HA3 H 1 3.932 0.030 . 2 . . . . 130 GLY HA3 . 11516 1 1576 . 1 1 130 130 GLY C C 13 177.059 0.300 . 1 . . . . 130 GLY C . 11516 1 1577 . 1 1 130 130 GLY CA C 13 47.922 0.300 . 1 . . . . 130 GLY CA . 11516 1 1578 . 1 1 130 130 GLY N N 15 104.100 0.300 . 1 . . . . 130 GLY N . 11516 1 1579 . 1 1 131 131 ILE H H 1 8.414 0.030 . 1 . . . . 131 ILE H . 11516 1 1580 . 1 1 131 131 ILE HA H 1 3.397 0.030 . 1 . . . . 131 ILE HA . 11516 1 1581 . 1 1 131 131 ILE HB H 1 1.920 0.030 . 1 . . . . 131 ILE HB . 11516 1 1582 . 1 1 131 131 ILE HD11 H 1 -0.109 0.030 . 1 . . . . 131 ILE HD1 . 11516 1 1583 . 1 1 131 131 ILE HD12 H 1 -0.109 0.030 . 1 . . . . 131 ILE HD1 . 11516 1 1584 . 1 1 131 131 ILE HD13 H 1 -0.109 0.030 . 1 . . . . 131 ILE HD1 . 11516 1 1585 . 1 1 131 131 ILE HG12 H 1 0.724 0.030 . 2 . . . . 131 ILE HG12 . 11516 1 1586 . 1 1 131 131 ILE HG13 H 1 -0.313 0.030 . 2 . . . . 131 ILE HG13 . 11516 1 1587 . 1 1 131 131 ILE HG21 H 1 0.899 0.030 . 1 . . . . 131 ILE HG2 . 11516 1 1588 . 1 1 131 131 ILE HG22 H 1 0.899 0.030 . 1 . . . . 131 ILE HG2 . 11516 1 1589 . 1 1 131 131 ILE HG23 H 1 0.899 0.030 . 1 . . . . 131 ILE HG2 . 11516 1 1590 . 1 1 131 131 ILE C C 13 177.899 0.300 . 1 . . . . 131 ILE C . 11516 1 1591 . 1 1 131 131 ILE CA C 13 66.515 0.300 . 1 . . . . 131 ILE CA . 11516 1 1592 . 1 1 131 131 ILE CB C 13 38.180 0.300 . 1 . . . . 131 ILE CB . 11516 1 1593 . 1 1 131 131 ILE CD1 C 13 15.017 0.300 . 1 . . . . 131 ILE CD1 . 11516 1 1594 . 1 1 131 131 ILE CG1 C 13 29.191 0.300 . 1 . . . . 131 ILE CG1 . 11516 1 1595 . 1 1 131 131 ILE CG2 C 13 18.579 0.300 . 1 . . . . 131 ILE CG2 . 11516 1 1596 . 1 1 132 132 LYS H H 1 8.125 0.030 . 1 . . . . 132 LYS H . 11516 1 1597 . 1 1 132 132 LYS HA H 1 3.784 0.030 . 1 . . . . 132 LYS HA . 11516 1 1598 . 1 1 132 132 LYS HB2 H 1 2.054 0.030 . 2 . . . . 132 LYS HB2 . 11516 1 1599 . 1 1 132 132 LYS HB3 H 1 1.869 0.030 . 2 . . . . 132 LYS HB3 . 11516 1 1600 . 1 1 132 132 LYS HD2 H 1 1.584 0.030 . 2 . . . . 132 LYS HD2 . 11516 1 1601 . 1 1 132 132 LYS HD3 H 1 1.504 0.030 . 2 . . . . 132 LYS HD3 . 11516 1 1602 . 1 1 132 132 LYS HE2 H 1 2.550 0.030 . 2 . . . . 132 LYS HE2 . 11516 1 1603 . 1 1 132 132 LYS HE3 H 1 1.976 0.030 . 2 . . . . 132 LYS HE3 . 11516 1 1604 . 1 1 132 132 LYS HG2 H 1 2.013 0.030 . 2 . . . . 132 LYS HG2 . 11516 1 1605 . 1 1 132 132 LYS HG3 H 1 1.084 0.030 . 2 . . . . 132 LYS HG3 . 11516 1 1606 . 1 1 132 132 LYS C C 13 179.478 0.300 . 1 . . . . 132 LYS C . 11516 1 1607 . 1 1 132 132 LYS CA C 13 62.721 0.300 . 1 . . . . 132 LYS CA . 11516 1 1608 . 1 1 132 132 LYS CB C 13 32.836 0.300 . 1 . . . . 132 LYS CB . 11516 1 1609 . 1 1 132 132 LYS CD C 13 29.667 0.300 . 1 . . . . 132 LYS CD . 11516 1 1610 . 1 1 132 132 LYS CE C 13 42.525 0.300 . 1 . . . . 132 LYS CE . 11516 1 1611 . 1 1 132 132 LYS CG C 13 28.460 0.300 . 1 . . . . 132 LYS CG . 11516 1 1612 . 1 1 132 132 LYS N N 15 118.242 0.300 . 1 . . . . 132 LYS N . 11516 1 1613 . 1 1 133 133 GLN H H 1 8.663 0.030 . 1 . . . . 133 GLN H . 11516 1 1614 . 1 1 133 133 GLN HA H 1 4.119 0.030 . 1 . . . . 133 GLN HA . 11516 1 1615 . 1 1 133 133 GLN HB2 H 1 2.186 0.030 . 2 . . . . 133 GLN HB2 . 11516 1 1616 . 1 1 133 133 GLN HB3 H 1 2.155 0.030 . 2 . . . . 133 GLN HB3 . 11516 1 1617 . 1 1 133 133 GLN HE21 H 1 7.570 0.030 . 2 . . . . 133 GLN HE21 . 11516 1 1618 . 1 1 133 133 GLN HE22 H 1 6.821 0.030 . 2 . . . . 133 GLN HE22 . 11516 1 1619 . 1 1 133 133 GLN HG2 H 1 2.573 0.030 . 2 . . . . 133 GLN HG2 . 11516 1 1620 . 1 1 133 133 GLN HG3 H 1 2.486 0.030 . 2 . . . . 133 GLN HG3 . 11516 1 1621 . 1 1 133 133 GLN C C 13 178.432 0.300 . 1 . . . . 133 GLN C . 11516 1 1622 . 1 1 133 133 GLN CA C 13 58.207 0.300 . 1 . . . . 133 GLN CA . 11516 1 1623 . 1 1 133 133 GLN CB C 13 28.809 0.300 . 1 . . . . 133 GLN CB . 11516 1 1624 . 1 1 133 133 GLN CG C 13 34.005 0.300 . 1 . . . . 133 GLN CG . 11516 1 1625 . 1 1 133 133 GLN N N 15 115.538 0.300 . 1 . . . . 133 GLN N . 11516 1 1626 . 1 1 133 133 GLN NE2 N 15 111.828 0.300 . 1 . . . . 133 GLN NE2 . 11516 1 1627 . 1 1 134 134 THR H H 1 7.914 0.030 . 1 . . . . 134 THR H . 11516 1 1628 . 1 1 134 134 THR HA H 1 3.775 0.030 . 1 . . . . 134 THR HA . 11516 1 1629 . 1 1 134 134 THR HB H 1 3.306 0.030 . 1 . . . . 134 THR HB . 11516 1 1630 . 1 1 134 134 THR HG21 H 1 0.219 0.030 . 1 . . . . 134 THR HG2 . 11516 1 1631 . 1 1 134 134 THR HG22 H 1 0.219 0.030 . 1 . . . . 134 THR HG2 . 11516 1 1632 . 1 1 134 134 THR HG23 H 1 0.219 0.030 . 1 . . . . 134 THR HG2 . 11516 1 1633 . 1 1 134 134 THR C C 13 175.309 0.300 . 1 . . . . 134 THR C . 11516 1 1634 . 1 1 134 134 THR CA C 13 66.775 0.300 . 1 . . . . 134 THR CA . 11516 1 1635 . 1 1 134 134 THR CB C 13 68.859 0.300 . 1 . . . . 134 THR CB . 11516 1 1636 . 1 1 134 134 THR CG2 C 13 20.264 0.300 . 1 . . . . 134 THR CG2 . 11516 1 1637 . 1 1 134 134 THR N N 15 115.019 0.300 . 1 . . . . 134 THR N . 11516 1 1638 . 1 1 135 135 PHE H H 1 7.294 0.030 . 1 . . . . 135 PHE H . 11516 1 1639 . 1 1 135 135 PHE HA H 1 4.573 0.030 . 1 . . . . 135 PHE HA . 11516 1 1640 . 1 1 135 135 PHE HB2 H 1 2.565 0.030 . 2 . . . . 135 PHE HB2 . 11516 1 1641 . 1 1 135 135 PHE HB3 H 1 1.474 0.030 . 2 . . . . 135 PHE HB3 . 11516 1 1642 . 1 1 135 135 PHE HD1 H 1 7.282 0.030 . 1 . . . . 135 PHE HD1 . 11516 1 1643 . 1 1 135 135 PHE HD2 H 1 7.282 0.030 . 1 . . . . 135 PHE HD2 . 11516 1 1644 . 1 1 135 135 PHE HE1 H 1 7.360 0.030 . 1 . . . . 135 PHE HE1 . 11516 1 1645 . 1 1 135 135 PHE HE2 H 1 7.360 0.030 . 1 . . . . 135 PHE HE2 . 11516 1 1646 . 1 1 135 135 PHE HZ H 1 7.618 0.030 . 1 . . . . 135 PHE HZ . 11516 1 1647 . 1 1 135 135 PHE C C 13 175.520 0.300 . 1 . . . . 135 PHE C . 11516 1 1648 . 1 1 135 135 PHE CA C 13 57.206 0.300 . 1 . . . . 135 PHE CA . 11516 1 1649 . 1 1 135 135 PHE CB C 13 38.164 0.300 . 1 . . . . 135 PHE CB . 11516 1 1650 . 1 1 135 135 PHE CD1 C 13 131.915 0.300 . 1 . . . . 135 PHE CD1 . 11516 1 1651 . 1 1 135 135 PHE CD2 C 13 131.915 0.300 . 1 . . . . 135 PHE CD2 . 11516 1 1652 . 1 1 135 135 PHE CE1 C 13 131.245 0.300 . 1 . . . . 135 PHE CE1 . 11516 1 1653 . 1 1 135 135 PHE CE2 C 13 131.245 0.300 . 1 . . . . 135 PHE CE2 . 11516 1 1654 . 1 1 135 135 PHE CZ C 13 129.393 0.300 . 1 . . . . 135 PHE CZ . 11516 1 1655 . 1 1 135 135 PHE N N 15 114.828 0.300 . 1 . . . . 135 PHE N . 11516 1 1656 . 1 1 136 136 GLY H H 1 7.428 0.030 . 1 . . . . 136 GLY H . 11516 1 1657 . 1 1 136 136 GLY HA2 H 1 4.134 0.030 . 2 . . . . 136 GLY HA2 . 11516 1 1658 . 1 1 136 136 GLY HA3 H 1 4.068 0.030 . 2 . . . . 136 GLY HA3 . 11516 1 1659 . 1 1 136 136 GLY C C 13 175.847 0.300 . 1 . . . . 136 GLY C . 11516 1 1660 . 1 1 136 136 GLY CA C 13 46.995 0.300 . 1 . . . . 136 GLY CA . 11516 1 1661 . 1 1 136 136 GLY N N 15 107.604 0.300 . 1 . . . . 136 GLY N . 11516 1 1662 . 1 1 137 137 TYR H H 1 7.275 0.030 . 1 . . . . 137 TYR H . 11516 1 1663 . 1 1 137 137 TYR HA H 1 5.231 0.030 . 1 . . . . 137 TYR HA . 11516 1 1664 . 1 1 137 137 TYR HB2 H 1 3.706 0.030 . 2 . . . . 137 TYR HB2 . 11516 1 1665 . 1 1 137 137 TYR HB3 H 1 2.939 0.030 . 2 . . . . 137 TYR HB3 . 11516 1 1666 . 1 1 137 137 TYR HD1 H 1 6.843 0.030 . 1 . . . . 137 TYR HD1 . 11516 1 1667 . 1 1 137 137 TYR HD2 H 1 6.843 0.030 . 1 . . . . 137 TYR HD2 . 11516 1 1668 . 1 1 137 137 TYR HE1 H 1 6.575 0.030 . 1 . . . . 137 TYR HE1 . 11516 1 1669 . 1 1 137 137 TYR HE2 H 1 6.575 0.030 . 1 . . . . 137 TYR HE2 . 11516 1 1670 . 1 1 137 137 TYR C C 13 176.159 0.300 . 1 . . . . 137 TYR C . 11516 1 1671 . 1 1 137 137 TYR CA C 13 53.529 0.300 . 1 . . . . 137 TYR CA . 11516 1 1672 . 1 1 137 137 TYR CB C 13 38.760 0.300 . 1 . . . . 137 TYR CB . 11516 1 1673 . 1 1 137 137 TYR CD1 C 13 130.779 0.300 . 1 . . . . 137 TYR CD1 . 11516 1 1674 . 1 1 137 137 TYR CD2 C 13 130.779 0.300 . 1 . . . . 137 TYR CD2 . 11516 1 1675 . 1 1 137 137 TYR CE1 C 13 118.855 0.300 . 1 . . . . 137 TYR CE1 . 11516 1 1676 . 1 1 137 137 TYR CE2 C 13 118.855 0.300 . 1 . . . . 137 TYR CE2 . 11516 1 1677 . 1 1 137 137 TYR N N 15 115.637 0.300 . 1 . . . . 137 TYR N . 11516 1 1678 . 1 1 138 138 GLY H H 1 8.600 0.030 . 1 . . . . 138 GLY H . 11516 1 1679 . 1 1 138 138 GLY HA2 H 1 4.200 0.030 . 2 . . . . 138 GLY HA2 . 11516 1 1680 . 1 1 138 138 GLY HA3 H 1 4.015 0.030 . 2 . . . . 138 GLY HA3 . 11516 1 1681 . 1 1 138 138 GLY C C 13 172.446 0.300 . 1 . . . . 138 GLY C . 11516 1 1682 . 1 1 138 138 GLY CA C 13 44.935 0.300 . 1 . . . . 138 GLY CA . 11516 1 1683 . 1 1 138 138 GLY N N 15 110.394 0.300 . 1 . . . . 138 GLY N . 11516 1 1684 . 1 1 139 139 ALA H H 1 8.336 0.030 . 1 . . . . 139 ALA H . 11516 1 1685 . 1 1 139 139 ALA HA H 1 4.405 0.030 . 1 . . . . 139 ALA HA . 11516 1 1686 . 1 1 139 139 ALA HB1 H 1 1.379 0.030 . 1 . . . . 139 ALA HB . 11516 1 1687 . 1 1 139 139 ALA HB2 H 1 1.379 0.030 . 1 . . . . 139 ALA HB . 11516 1 1688 . 1 1 139 139 ALA HB3 H 1 1.379 0.030 . 1 . . . . 139 ALA HB . 11516 1 1689 . 1 1 139 139 ALA C C 13 177.831 0.300 . 1 . . . . 139 ALA C . 11516 1 1690 . 1 1 139 139 ALA CA C 13 52.341 0.300 . 1 . . . . 139 ALA CA . 11516 1 1691 . 1 1 139 139 ALA CB C 13 19.736 0.300 . 1 . . . . 139 ALA CB . 11516 1 1692 . 1 1 139 139 ALA N N 15 123.350 0.300 . 1 . . . . 139 ALA N . 11516 1 1693 . 1 1 140 140 SER H H 1 8.484 0.030 . 1 . . . . 140 SER H . 11516 1 1694 . 1 1 140 140 SER HA H 1 4.498 0.030 . 1 . . . . 140 SER HA . 11516 1 1695 . 1 1 140 140 SER HB2 H 1 3.882 0.030 . 2 . . . . 140 SER HB2 . 11516 1 1696 . 1 1 140 140 SER C C 13 174.688 0.300 . 1 . . . . 140 SER C . 11516 1 1697 . 1 1 140 140 SER CA C 13 58.351 0.300 . 1 . . . . 140 SER CA . 11516 1 1698 . 1 1 140 140 SER CB C 13 64.101 0.300 . 1 . . . . 140 SER CB . 11516 1 1699 . 1 1 140 140 SER N N 15 115.793 0.300 . 1 . . . . 140 SER N . 11516 1 1700 . 1 1 141 141 GLY H H 1 8.346 0.030 . 1 . . . . 141 GLY H . 11516 1 1701 . 1 1 141 141 GLY HA2 H 1 4.165 0.030 . 2 . . . . 141 GLY HA2 . 11516 1 1702 . 1 1 141 141 GLY HA3 H 1 4.095 0.030 . 2 . . . . 141 GLY HA3 . 11516 1 1703 . 1 1 141 141 GLY C C 13 171.835 0.300 . 1 . . . . 141 GLY C . 11516 1 1704 . 1 1 141 141 GLY CA C 13 44.688 0.300 . 1 . . . . 141 GLY CA . 11516 1 1705 . 1 1 141 141 GLY N N 15 110.954 0.300 . 1 . . . . 141 GLY N . 11516 1 1706 . 1 1 142 142 PRO HA H 1 4.483 0.030 . 1 . . . . 142 PRO HA . 11516 1 1707 . 1 1 142 142 PRO HB2 H 1 2.291 0.030 . 2 . . . . 142 PRO HB2 . 11516 1 1708 . 1 1 142 142 PRO HB3 H 1 1.971 0.030 . 2 . . . . 142 PRO HB3 . 11516 1 1709 . 1 1 142 142 PRO HD2 H 1 3.633 0.030 . 1 . . . . 142 PRO HD2 . 11516 1 1710 . 1 1 142 142 PRO HD3 H 1 3.633 0.030 . 1 . . . . 142 PRO HD3 . 11516 1 1711 . 1 1 142 142 PRO HG2 H 1 2.020 0.030 . 2 . . . . 142 PRO HG2 . 11516 1 1712 . 1 1 142 142 PRO C C 13 177.427 0.300 . 1 . . . . 142 PRO C . 11516 1 1713 . 1 1 142 142 PRO CA C 13 63.213 0.300 . 1 . . . . 142 PRO CA . 11516 1 1714 . 1 1 142 142 PRO CB C 13 32.206 0.300 . 1 . . . . 142 PRO CB . 11516 1 1715 . 1 1 142 142 PRO CD C 13 49.815 0.300 . 1 . . . . 142 PRO CD . 11516 1 1716 . 1 1 142 142 PRO CG C 13 27.131 0.300 . 1 . . . . 142 PRO CG . 11516 1 1717 . 1 1 143 143 SER H H 1 8.574 0.030 . 1 . . . . 143 SER H . 11516 1 1718 . 1 1 143 143 SER HA H 1 4.498 0.030 . 1 . . . . 143 SER HA . 11516 1 1719 . 1 1 143 143 SER HB2 H 1 3.907 0.030 . 2 . . . . 143 SER HB2 . 11516 1 1720 . 1 1 143 143 SER C C 13 174.745 0.300 . 1 . . . . 143 SER C . 11516 1 1721 . 1 1 143 143 SER CA C 13 58.398 0.300 . 1 . . . . 143 SER CA . 11516 1 1722 . 1 1 143 143 SER CB C 13 63.813 0.300 . 1 . . . . 143 SER CB . 11516 1 1723 . 1 1 143 143 SER N N 15 116.634 0.300 . 1 . . . . 143 SER N . 11516 1 1724 . 1 1 144 144 SER H H 1 8.373 0.030 . 1 . . . . 144 SER H . 11516 1 1725 . 1 1 144 144 SER HA H 1 4.486 0.030 . 1 . . . . 144 SER HA . 11516 1 1726 . 1 1 144 144 SER HB2 H 1 3.886 0.030 . 2 . . . . 144 SER HB2 . 11516 1 1727 . 1 1 144 144 SER C C 13 173.983 0.300 . 1 . . . . 144 SER C . 11516 1 1728 . 1 1 144 144 SER CA C 13 58.398 0.300 . 1 . . . . 144 SER CA . 11516 1 1729 . 1 1 144 144 SER CB C 13 64.093 0.300 . 1 . . . . 144 SER CB . 11516 1 1730 . 1 1 144 144 SER N N 15 118.003 0.300 . 1 . . . . 144 SER N . 11516 1 1731 . 1 1 145 145 GLY H H 1 8.058 0.030 . 1 . . . . 145 GLY H . 11516 1 1732 . 1 1 145 145 GLY C C 13 179.036 0.300 . 1 . . . . 145 GLY C . 11516 1 1733 . 1 1 145 145 GLY CA C 13 46.191 0.300 . 1 . . . . 145 GLY CA . 11516 1 1734 . 1 1 145 145 GLY N N 15 116.908 0.300 . 1 . . . . 145 GLY N . 11516 1 stop_ save_