data_25492 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25492 _Entry.Title ; NMR structure of the HLTF HIRAN domain in its DNA-bound conformation. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-18 _Entry.Accession_date 2015-02-18 _Entry.Last_release_date 2015-06-29 _Entry.Original_release_date 2015-06-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dmitry Korzhnev . . . 25492 2 Sherif Eldirany . . . 25492 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25492 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA-binding . 25492 HIRAN . 25492 HLTF . 25492 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25492 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 25492 '15N chemical shifts' 116 25492 '1H chemical shifts' 753 25492 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 . . 2015-06-29 . original BMRB . 25492 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MZN 'BMRB Entry Tracking System' 25492 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25492 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26051180 _Citation.Full_citation . _Citation.Title ; HLTF's Ancient HIRAN Domain Binds 3' DNA Ends to Drive Replication Fork Reversal ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1090 _Citation.Page_last 1100 _Citation.Year 2015 _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 Andrew Kile . . . 25492 1 2 Diana Chavez . A. . 25492 1 3 Julien Bacal . . . 25492 1 4 Dmitry Korzhnev . . . 25492 1 5 Sherif Eldirany . . . 25492 1 6 Irina Bezsonova . . . 25492 1 7 Brandt Eichman . F. . 25492 1 8 Karlene Cimprich . A. . 25492 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25492 _Assembly.ID 1 _Assembly.Name HIRAN _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25492 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25492 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDEEVDSVLFGSLRGHVVG LRYYTGVVNNNEMVALQRDP NNPYDKNAIKVNNVNGNQVG HLKKELAGALAYIMDNKLAQ IEGVVPFGANNAFTMPLHMT FWGKEENRKAVSDQLKKHGF KL ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13532.442 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17085 . HLTF . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 25492 1 2 no BMRB 18458 . HLTF-HIRAN . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 25492 1 3 no PDB 2L1I . "Nmr Structure Of The Hltf Hiran Domain" . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 25492 1 4 no PDB 2MZN . "Nmr Structure Of The Hltf Hiran Domain In Its Dna-bound Conformation" . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 25492 1 5 no PDB 4S0N . "Crystal Structure Of Hltf Hiran Domain Bound To Dna" . . . . . 96.72 130 99.15 99.15 2.43e-78 . . . . 25492 1 6 no PDB 4XZF . "Crystal Structure Of Hiran Domain Of Human Hltf In Complex With Dna" . . . . . 94.26 122 100.00 100.00 7.50e-77 . . . . 25492 1 7 no PDB 4XZG . "Crystal Structure Of Hiran Domain Of Human Hltf" . . . . . 94.26 138 100.00 100.00 1.03e-76 . . . . 25492 1 8 no DBJ BAD92289 . "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a3 variant [Homo sapiens]" . . . . . 99.18 992 100.00 100.00 2.18e-77 . . . . 25492 1 9 no DBJ BAF83920 . "unnamed protein product [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 25492 1 10 no EMBL CAA86571 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 25492 1 11 no EMBL CAD10805 . "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 3 [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 25492 1 12 no GB AAA67436 . "ATPase [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.11e-77 . . . . 25492 1 13 no GB AAB27691 . "DNA-binding protein/plasminogen activator inhibitor-1 regulator, partial [Homo sapiens]" . . . . . 99.18 176 100.00 100.00 2.85e-81 . . . . 25492 1 14 no GB AAH05260 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 395 100.00 100.00 4.01e-79 . . . . 25492 1 15 no GB AAH15498 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 455 100.00 100.00 2.52e-79 . . . . 25492 1 16 no GB AAH30976 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 460 100.00 100.00 3.63e-79 . . . . 25492 1 17 no REF NP_003062 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 25492 1 18 no REF NP_620636 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 25492 1 19 no REF XP_001138277 . "PREDICTED: helicase-like transcription factor isoform X3 [Pan troglodytes]" . . . . . 99.18 1009 100.00 100.00 3.47e-77 . . . . 25492 1 20 no REF XP_002814205 . "PREDICTED: helicase-like transcription factor isoform X3 [Pongo abelii]" . . . . . 99.18 1009 99.17 100.00 4.87e-77 . . . . 25492 1 21 no REF XP_003256297 . "PREDICTED: helicase-like transcription factor isoform X1 [Nomascus leucogenys]" . . . . . 99.18 1009 97.52 100.00 3.67e-76 . . . . 25492 1 22 no SP Q14527 . "RecName: Full=Helicase-like transcription factor; AltName: Full=DNA-binding protein/plasminogen activator inhibitor 1 regulator" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 25492 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 . 25492 1 2 51 SER . 25492 1 3 52 ASP . 25492 1 4 53 GLU . 25492 1 5 54 GLU . 25492 1 6 55 VAL . 25492 1 7 56 ASP . 25492 1 8 57 SER . 25492 1 9 58 VAL . 25492 1 10 59 LEU . 25492 1 11 60 PHE . 25492 1 12 61 GLY . 25492 1 13 62 SER . 25492 1 14 63 LEU . 25492 1 15 64 ARG . 25492 1 16 65 GLY . 25492 1 17 66 HIS . 25492 1 18 67 VAL . 25492 1 19 68 VAL . 25492 1 20 69 GLY . 25492 1 21 70 LEU . 25492 1 22 71 ARG . 25492 1 23 72 TYR . 25492 1 24 73 TYR . 25492 1 25 74 THR . 25492 1 26 75 GLY . 25492 1 27 76 VAL . 25492 1 28 77 VAL . 25492 1 29 78 ASN . 25492 1 30 79 ASN . 25492 1 31 80 ASN . 25492 1 32 81 GLU . 25492 1 33 82 MET . 25492 1 34 83 VAL . 25492 1 35 84 ALA . 25492 1 36 85 LEU . 25492 1 37 86 GLN . 25492 1 38 87 ARG . 25492 1 39 88 ASP . 25492 1 40 89 PRO . 25492 1 41 90 ASN . 25492 1 42 91 ASN . 25492 1 43 92 PRO . 25492 1 44 93 TYR . 25492 1 45 94 ASP . 25492 1 46 95 LYS . 25492 1 47 96 ASN . 25492 1 48 97 ALA . 25492 1 49 98 ILE . 25492 1 50 99 LYS . 25492 1 51 100 VAL . 25492 1 52 101 ASN . 25492 1 53 102 ASN . 25492 1 54 103 VAL . 25492 1 55 104 ASN . 25492 1 56 105 GLY . 25492 1 57 106 ASN . 25492 1 58 107 GLN . 25492 1 59 108 VAL . 25492 1 60 109 GLY . 25492 1 61 110 HIS . 25492 1 62 111 LEU . 25492 1 63 112 LYS . 25492 1 64 113 LYS . 25492 1 65 114 GLU . 25492 1 66 115 LEU . 25492 1 67 116 ALA . 25492 1 68 117 GLY . 25492 1 69 118 ALA . 25492 1 70 119 LEU . 25492 1 71 120 ALA . 25492 1 72 121 TYR . 25492 1 73 122 ILE . 25492 1 74 123 MET . 25492 1 75 124 ASP . 25492 1 76 125 ASN . 25492 1 77 126 LYS . 25492 1 78 127 LEU . 25492 1 79 128 ALA . 25492 1 80 129 GLN . 25492 1 81 130 ILE . 25492 1 82 131 GLU . 25492 1 83 132 GLY . 25492 1 84 133 VAL . 25492 1 85 134 VAL . 25492 1 86 135 PRO . 25492 1 87 136 PHE . 25492 1 88 137 GLY . 25492 1 89 138 ALA . 25492 1 90 139 ASN . 25492 1 91 140 ASN . 25492 1 92 141 ALA . 25492 1 93 142 PHE . 25492 1 94 143 THR . 25492 1 95 144 MET . 25492 1 96 145 PRO . 25492 1 97 146 LEU . 25492 1 98 147 HIS . 25492 1 99 148 MET . 25492 1 100 149 THR . 25492 1 101 150 PHE . 25492 1 102 151 TRP . 25492 1 103 152 GLY . 25492 1 104 153 LYS . 25492 1 105 154 GLU . 25492 1 106 155 GLU . 25492 1 107 156 ASN . 25492 1 108 157 ARG . 25492 1 109 158 LYS . 25492 1 110 159 ALA . 25492 1 111 160 VAL . 25492 1 112 161 SER . 25492 1 113 162 ASP . 25492 1 114 163 GLN . 25492 1 115 164 LEU . 25492 1 116 165 LYS . 25492 1 117 166 LYS . 25492 1 118 167 HIS . 25492 1 119 168 GLY . 25492 1 120 169 PHE . 25492 1 121 170 LYS . 25492 1 122 171 LEU . 25492 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 25492 1 . SER 2 2 25492 1 . ASP 3 3 25492 1 . GLU 4 4 25492 1 . GLU 5 5 25492 1 . VAL 6 6 25492 1 . ASP 7 7 25492 1 . SER 8 8 25492 1 . VAL 9 9 25492 1 . LEU 10 10 25492 1 . PHE 11 11 25492 1 . GLY 12 12 25492 1 . SER 13 13 25492 1 . LEU 14 14 25492 1 . ARG 15 15 25492 1 . GLY 16 16 25492 1 . HIS 17 17 25492 1 . VAL 18 18 25492 1 . VAL 19 19 25492 1 . GLY 20 20 25492 1 . LEU 21 21 25492 1 . ARG 22 22 25492 1 . TYR 23 23 25492 1 . TYR 24 24 25492 1 . THR 25 25 25492 1 . GLY 26 26 25492 1 . VAL 27 27 25492 1 . VAL 28 28 25492 1 . ASN 29 29 25492 1 . ASN 30 30 25492 1 . ASN 31 31 25492 1 . GLU 32 32 25492 1 . MET 33 33 25492 1 . VAL 34 34 25492 1 . ALA 35 35 25492 1 . LEU 36 36 25492 1 . GLN 37 37 25492 1 . ARG 38 38 25492 1 . ASP 39 39 25492 1 . PRO 40 40 25492 1 . ASN 41 41 25492 1 . ASN 42 42 25492 1 . PRO 43 43 25492 1 . TYR 44 44 25492 1 . ASP 45 45 25492 1 . LYS 46 46 25492 1 . ASN 47 47 25492 1 . ALA 48 48 25492 1 . ILE 49 49 25492 1 . LYS 50 50 25492 1 . VAL 51 51 25492 1 . ASN 52 52 25492 1 . ASN 53 53 25492 1 . VAL 54 54 25492 1 . ASN 55 55 25492 1 . GLY 56 56 25492 1 . ASN 57 57 25492 1 . GLN 58 58 25492 1 . VAL 59 59 25492 1 . GLY 60 60 25492 1 . HIS 61 61 25492 1 . LEU 62 62 25492 1 . LYS 63 63 25492 1 . LYS 64 64 25492 1 . GLU 65 65 25492 1 . LEU 66 66 25492 1 . ALA 67 67 25492 1 . GLY 68 68 25492 1 . ALA 69 69 25492 1 . LEU 70 70 25492 1 . ALA 71 71 25492 1 . TYR 72 72 25492 1 . ILE 73 73 25492 1 . MET 74 74 25492 1 . ASP 75 75 25492 1 . ASN 76 76 25492 1 . LYS 77 77 25492 1 . LEU 78 78 25492 1 . ALA 79 79 25492 1 . GLN 80 80 25492 1 . ILE 81 81 25492 1 . GLU 82 82 25492 1 . GLY 83 83 25492 1 . VAL 84 84 25492 1 . VAL 85 85 25492 1 . PRO 86 86 25492 1 . PHE 87 87 25492 1 . GLY 88 88 25492 1 . ALA 89 89 25492 1 . ASN 90 90 25492 1 . ASN 91 91 25492 1 . ALA 92 92 25492 1 . PHE 93 93 25492 1 . THR 94 94 25492 1 . MET 95 95 25492 1 . PRO 96 96 25492 1 . LEU 97 97 25492 1 . HIS 98 98 25492 1 . MET 99 99 25492 1 . THR 100 100 25492 1 . PHE 101 101 25492 1 . TRP 102 102 25492 1 . GLY 103 103 25492 1 . LYS 104 104 25492 1 . GLU 105 105 25492 1 . GLU 106 106 25492 1 . ASN 107 107 25492 1 . ARG 108 108 25492 1 . LYS 109 109 25492 1 . ALA 110 110 25492 1 . VAL 111 111 25492 1 . SER 112 112 25492 1 . ASP 113 113 25492 1 . GLN 114 114 25492 1 . LEU 115 115 25492 1 . LYS 116 116 25492 1 . LYS 117 117 25492 1 . HIS 118 118 25492 1 . GLY 119 119 25492 1 . PHE 120 120 25492 1 . LYS 121 121 25492 1 . LEU 122 122 25492 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 25492 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25492 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 25492 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . 'gene sequence was codon-optimized for E. coli expression.' 25492 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25492 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 25492 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25492 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25492 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25492 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25492 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 25492 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25492 1 pH 6.8 . pH 25492 1 pressure 1 . atm 25492 1 temperature 298 . K 25492 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25492 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25492 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25492 1 'data analysis' 25492 1 'peak picking' 25492 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25492 _Software.ID 2 _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' . . 25492 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25492 2 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 25492 _Software.ID 3 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25492 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25492 3 refinement 25492 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25492 _Software.ID 4 _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' . . 25492 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25492 4 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 25492 _Software.ID 5 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 25492 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25492 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25492 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25492 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25492 6 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 25492 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model PremiumCOMPACT _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25492 _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 Agilent PremiumCOMPACT . 800 . . . 25492 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 25492 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 1 10 '3D 1H-13C NOESY CN_filtered' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25492 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 25492 _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 57 internal indirect 1 . . . . . . . . . 25492 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 25492 1 N 15 water protons . . . . ppm 119 internal indirect 1 . . . . . . . . . 25492 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 25492 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25492 1 2 '2D 1H-13C HSQC' . . . 25492 1 5 '3D HCCH-TOCSY' . . . 25492 1 6 '3D HNCO' . . . 25492 1 7 '3D HNCA' . . . 25492 1 8 '3D HN(CO)CA' . . . 25492 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 2 2 SER HA H 1 4.132 0.04 . 1 . . . A 51 SER HA . 25492 1 2 . 1 1 2 2 SER HB2 H 1 3.505 0.04 . 2 . . . A 51 SER HB2 . 25492 1 3 . 1 1 2 2 SER HB3 H 1 3.557 0.04 . 2 . . . A 51 SER HB3 . 25492 1 4 . 1 1 2 2 SER C C 13 175.388 0.40 . 1 . . . A 51 SER C . 25492 1 5 . 1 1 2 2 SER CA C 13 59.546 0.40 . 1 . . . A 51 SER CA . 25492 1 6 . 1 1 2 2 SER CB C 13 64.627 0.40 . 1 . . . A 51 SER CB . 25492 1 7 . 1 1 3 3 ASP H H 1 8.271 0.04 . 1 . . . A 52 ASP H . 25492 1 8 . 1 1 3 3 ASP HA H 1 4.228 0.04 . 1 . . . A 52 ASP HA . 25492 1 9 . 1 1 3 3 ASP HB2 H 1 2.371 0.04 . 2 . . . A 52 ASP HB2 . 25492 1 10 . 1 1 3 3 ASP HB3 H 1 2.277 0.04 . 2 . . . A 52 ASP HB3 . 25492 1 11 . 1 1 3 3 ASP C C 13 177.122 0.40 . 1 . . . A 52 ASP C . 25492 1 12 . 1 1 3 3 ASP CA C 13 55.747 0.40 . 1 . . . A 52 ASP CA . 25492 1 13 . 1 1 3 3 ASP CB C 13 41.668 0.40 . 1 . . . A 52 ASP CB . 25492 1 14 . 1 1 3 3 ASP N N 15 122.751 0.40 . 1 . . . A 52 ASP N . 25492 1 15 . 1 1 4 4 GLU H H 1 7.911 0.04 . 1 . . . A 53 GLU H . 25492 1 16 . 1 1 4 4 GLU HA H 1 3.915 0.04 . 1 . . . A 53 GLU HA . 25492 1 17 . 1 1 4 4 GLU HB2 H 1 1.708 0.04 . 2 . . . A 53 GLU HB2 . 25492 1 18 . 1 1 4 4 GLU HB3 H 1 1.584 0.04 . 2 . . . A 53 GLU HB3 . 25492 1 19 . 1 1 4 4 GLU HG2 H 1 1.892 0.04 . 2 . . . A 53 GLU HG2 . 25492 1 20 . 1 1 4 4 GLU HG3 H 1 1.892 0.04 . 2 . . . A 53 GLU HG3 . 25492 1 21 . 1 1 4 4 GLU C C 13 177.380 0.40 . 1 . . . A 53 GLU C . 25492 1 22 . 1 1 4 4 GLU CA C 13 57.670 0.40 . 1 . . . A 53 GLU CA . 25492 1 23 . 1 1 4 4 GLU CB C 13 31.096 0.40 . 1 . . . A 53 GLU CB . 25492 1 24 . 1 1 4 4 GLU CG C 13 37.273 0.40 . 1 . . . A 53 GLU CG . 25492 1 25 . 1 1 4 4 GLU N N 15 120.650 0.40 . 1 . . . A 53 GLU N . 25492 1 26 . 1 1 5 5 GLU H H 1 7.938 0.04 . 1 . . . A 54 GLU H . 25492 1 27 . 1 1 5 5 GLU HA H 1 3.982 0.04 . 1 . . . A 54 GLU HA . 25492 1 28 . 1 1 5 5 GLU HB2 H 1 1.695 0.04 . 2 . . . A 54 GLU HB2 . 25492 1 29 . 1 1 5 5 GLU HB3 H 1 1.588 0.04 . 2 . . . A 54 GLU HB3 . 25492 1 30 . 1 1 5 5 GLU HG2 H 1 1.925 0.04 . 2 . . . A 54 GLU HG2 . 25492 1 31 . 1 1 5 5 GLU HG3 H 1 1.885 0.04 . 2 . . . A 54 GLU HG3 . 25492 1 32 . 1 1 5 5 GLU C C 13 177.364 0.40 . 1 . . . A 54 GLU C . 25492 1 33 . 1 1 5 5 GLU CA C 13 57.235 0.40 . 1 . . . A 54 GLU CA . 25492 1 34 . 1 1 5 5 GLU CB C 13 30.913 0.40 . 1 . . . A 54 GLU CB . 25492 1 35 . 1 1 5 5 GLU CG C 13 37.097 0.40 . 1 . . . A 54 GLU CG . 25492 1 36 . 1 1 5 5 GLU N N 15 122.537 0.40 . 1 . . . A 54 GLU N . 25492 1 37 . 1 1 6 6 VAL H H 1 7.773 0.04 . 1 . . . A 55 VAL H . 25492 1 38 . 1 1 6 6 VAL HA H 1 3.820 0.04 . 1 . . . A 55 VAL HA . 25492 1 39 . 1 1 6 6 VAL HB H 1 1.777 0.04 . 1 . . . A 55 VAL HB . 25492 1 40 . 1 1 6 6 VAL HG11 H 1 0.614 0.04 . 2 . . . A 55 VAL HG11 . 25492 1 41 . 1 1 6 6 VAL HG12 H 1 0.614 0.04 . 2 . . . A 55 VAL HG12 . 25492 1 42 . 1 1 6 6 VAL HG13 H 1 0.614 0.04 . 2 . . . A 55 VAL HG13 . 25492 1 43 . 1 1 6 6 VAL HG21 H 1 0.608 0.04 . 2 . . . A 55 VAL HG21 . 25492 1 44 . 1 1 6 6 VAL HG22 H 1 0.608 0.04 . 2 . . . A 55 VAL HG22 . 25492 1 45 . 1 1 6 6 VAL HG23 H 1 0.608 0.04 . 2 . . . A 55 VAL HG23 . 25492 1 46 . 1 1 6 6 VAL C C 13 176.642 0.40 . 1 . . . A 55 VAL C . 25492 1 47 . 1 1 6 6 VAL CA C 13 63.079 0.40 . 1 . . . A 55 VAL CA . 25492 1 48 . 1 1 6 6 VAL CB C 13 33.839 0.40 . 1 . . . A 55 VAL CB . 25492 1 49 . 1 1 6 6 VAL CG1 C 13 22.093 0.40 . 2 . . . A 55 VAL CG1 . 25492 1 50 . 1 1 6 6 VAL CG2 C 13 21.170 0.40 . 2 . . . A 55 VAL CG2 . 25492 1 51 . 1 1 6 6 VAL N N 15 121.421 0.40 . 1 . . . A 55 VAL N . 25492 1 52 . 1 1 7 7 ASP H H 1 8.109 0.04 . 1 . . . A 56 ASP H . 25492 1 53 . 1 1 7 7 ASP HA H 1 4.321 0.04 . 1 . . . A 56 ASP HA . 25492 1 54 . 1 1 7 7 ASP HB2 H 1 2.391 0.04 . 2 . . . A 56 ASP HB2 . 25492 1 55 . 1 1 7 7 ASP HB3 H 1 2.322 0.04 . 2 . . . A 56 ASP HB3 . 25492 1 56 . 1 1 7 7 ASP C C 13 176.628 0.40 . 1 . . . A 56 ASP C . 25492 1 57 . 1 1 7 7 ASP CA C 13 55.306 0.40 . 1 . . . A 56 ASP CA . 25492 1 58 . 1 1 7 7 ASP CB C 13 41.796 0.40 . 1 . . . A 56 ASP CB . 25492 1 59 . 1 1 7 7 ASP N N 15 124.256 0.40 . 1 . . . A 56 ASP N . 25492 1 60 . 1 1 8 8 SER H H 1 7.650 0.04 . 1 . . . A 57 SER H . 25492 1 61 . 1 1 8 8 SER HA H 1 4.171 0.04 . 1 . . . A 57 SER HA . 25492 1 62 . 1 1 8 8 SER HB2 H 1 3.434 0.04 . 2 . . . A 57 SER HB2 . 25492 1 63 . 1 1 8 8 SER HB3 H 1 3.390 0.04 . 2 . . . A 57 SER HB3 . 25492 1 64 . 1 1 8 8 SER C C 13 174.493 0.40 . 1 . . . A 57 SER C . 25492 1 65 . 1 1 8 8 SER CA C 13 59.127 0.40 . 1 . . . A 57 SER CA . 25492 1 66 . 1 1 8 8 SER CB C 13 65.240 0.40 . 1 . . . A 57 SER CB . 25492 1 67 . 1 1 8 8 SER N N 15 116.602 0.40 . 1 . . . A 57 SER N . 25492 1 68 . 1 1 9 9 VAL H H 1 9.140 0.04 . 1 . . . A 58 VAL H . 25492 1 69 . 1 1 9 9 VAL HA H 1 4.343 0.04 . 1 . . . A 58 VAL HA . 25492 1 70 . 1 1 9 9 VAL HB H 1 1.888 0.04 . 1 . . . A 58 VAL HB . 25492 1 71 . 1 1 9 9 VAL HG11 H 1 0.716 0.04 . 2 . . . A 58 VAL HG11 . 25492 1 72 . 1 1 9 9 VAL HG12 H 1 0.716 0.04 . 2 . . . A 58 VAL HG12 . 25492 1 73 . 1 1 9 9 VAL HG13 H 1 0.716 0.04 . 2 . . . A 58 VAL HG13 . 25492 1 74 . 1 1 9 9 VAL HG21 H 1 0.681 0.04 . 2 . . . A 58 VAL HG21 . 25492 1 75 . 1 1 9 9 VAL HG22 H 1 0.681 0.04 . 2 . . . A 58 VAL HG22 . 25492 1 76 . 1 1 9 9 VAL HG23 H 1 0.681 0.04 . 2 . . . A 58 VAL HG23 . 25492 1 77 . 1 1 9 9 VAL C C 13 175.102 0.40 . 1 . . . A 58 VAL C . 25492 1 78 . 1 1 9 9 VAL CA C 13 60.699 0.40 . 1 . . . A 58 VAL CA . 25492 1 79 . 1 1 9 9 VAL CB C 13 35.738 0.40 . 1 . . . A 58 VAL CB . 25492 1 80 . 1 1 9 9 VAL CG1 C 13 22.494 0.40 . 2 . . . A 58 VAL CG1 . 25492 1 81 . 1 1 9 9 VAL CG2 C 13 19.921 0.40 . 2 . . . A 58 VAL CG2 . 25492 1 82 . 1 1 9 9 VAL N N 15 121.062 0.40 . 1 . . . A 58 VAL N . 25492 1 83 . 1 1 10 10 LEU H H 1 7.899 0.04 . 1 . . . A 59 LEU H . 25492 1 84 . 1 1 10 10 LEU HA H 1 3.208 0.04 . 1 . . . A 59 LEU HA . 25492 1 85 . 1 1 10 10 LEU HB2 H 1 1.154 0.04 . 2 . . . A 59 LEU HB2 . 25492 1 86 . 1 1 10 10 LEU HB3 H 1 0.360 0.04 . 2 . . . A 59 LEU HB3 . 25492 1 87 . 1 1 10 10 LEU HG H 1 0.505 0.04 . 1 . . . A 59 LEU HG . 25492 1 88 . 1 1 10 10 LEU HD11 H 1 0.333 0.04 . 2 . . . A 59 LEU HD11 . 25492 1 89 . 1 1 10 10 LEU HD12 H 1 0.333 0.04 . 2 . . . A 59 LEU HD12 . 25492 1 90 . 1 1 10 10 LEU HD13 H 1 0.333 0.04 . 2 . . . A 59 LEU HD13 . 25492 1 91 . 1 1 10 10 LEU HD21 H 1 -0.246 0.04 . 2 . . . A 59 LEU HD21 . 25492 1 92 . 1 1 10 10 LEU HD22 H 1 -0.246 0.04 . 2 . . . A 59 LEU HD22 . 25492 1 93 . 1 1 10 10 LEU HD23 H 1 -0.246 0.04 . 2 . . . A 59 LEU HD23 . 25492 1 94 . 1 1 10 10 LEU C C 13 178.716 0.40 . 1 . . . A 59 LEU C . 25492 1 95 . 1 1 10 10 LEU CA C 13 55.431 0.40 . 1 . . . A 59 LEU CA . 25492 1 96 . 1 1 10 10 LEU CB C 13 42.527 0.40 . 1 . . . A 59 LEU CB . 25492 1 97 . 1 1 10 10 LEU CG C 13 27.392 0.40 . 1 . . . A 59 LEU CG . 25492 1 98 . 1 1 10 10 LEU CD1 C 13 26.698 0.40 . 2 . . . A 59 LEU CD1 . 25492 1 99 . 1 1 10 10 LEU CD2 C 13 23.030 0.40 . 2 . . . A 59 LEU CD2 . 25492 1 100 . 1 1 10 10 LEU N N 15 124.289 0.40 . 1 . . . A 59 LEU N . 25492 1 101 . 1 1 11 11 PHE H H 1 8.895 0.04 . 1 . . . A 60 PHE H . 25492 1 102 . 1 1 11 11 PHE HA H 1 4.621 0.04 . 1 . . . A 60 PHE HA . 25492 1 103 . 1 1 11 11 PHE HB2 H 1 2.775 0.04 . 2 . . . A 60 PHE HB2 . 25492 1 104 . 1 1 11 11 PHE HB3 H 1 2.526 0.04 . 2 . . . A 60 PHE HB3 . 25492 1 105 . 1 1 11 11 PHE C C 13 177.138 0.40 . 1 . . . A 60 PHE C . 25492 1 106 . 1 1 11 11 PHE CA C 13 55.668 0.40 . 1 . . . A 60 PHE CA . 25492 1 107 . 1 1 11 11 PHE CB C 13 38.542 0.40 . 1 . . . A 60 PHE CB . 25492 1 108 . 1 1 11 11 PHE N N 15 127.867 0.40 . 1 . . . A 60 PHE N . 25492 1 109 . 1 1 12 12 GLY H H 1 6.803 0.04 . 1 . . . A 61 GLY H . 25492 1 110 . 1 1 12 12 GLY HA2 H 1 4.255 0.04 . 2 . . . A 61 GLY HA2 . 25492 1 111 . 1 1 12 12 GLY HA3 H 1 3.424 0.04 . 2 . . . A 61 GLY HA3 . 25492 1 112 . 1 1 12 12 GLY C C 13 171.354 0.40 . 1 . . . A 61 GLY C . 25492 1 113 . 1 1 12 12 GLY CA C 13 45.147 0.40 . 1 . . . A 61 GLY CA . 25492 1 114 . 1 1 12 12 GLY N N 15 104.204 0.40 . 1 . . . A 61 GLY N . 25492 1 115 . 1 1 13 13 SER H H 1 8.545 0.04 . 1 . . . A 62 SER H . 25492 1 116 . 1 1 13 13 SER HA H 1 5.415 0.04 . 1 . . . A 62 SER HA . 25492 1 117 . 1 1 13 13 SER HB2 H 1 3.368 0.04 . 2 . . . A 62 SER HB2 . 25492 1 118 . 1 1 13 13 SER HB3 H 1 3.264 0.04 . 2 . . . A 62 SER HB3 . 25492 1 119 . 1 1 13 13 SER C C 13 172.742 0.40 . 1 . . . A 62 SER C . 25492 1 120 . 1 1 13 13 SER CA C 13 57.782 0.40 . 1 . . . A 62 SER CA . 25492 1 121 . 1 1 13 13 SER CB C 13 68.090 0.40 . 1 . . . A 62 SER CB . 25492 1 122 . 1 1 13 13 SER N N 15 115.283 0.40 . 1 . . . A 62 SER N . 25492 1 123 . 1 1 14 14 LEU H H 1 8.641 0.04 . 1 . . . A 63 LEU H . 25492 1 124 . 1 1 14 14 LEU HA H 1 4.320 0.04 . 1 . . . A 63 LEU HA . 25492 1 125 . 1 1 14 14 LEU HB2 H 1 1.428 0.04 . 2 . . . A 63 LEU HB2 . 25492 1 126 . 1 1 14 14 LEU HB3 H 1 1.121 0.04 . 2 . . . A 63 LEU HB3 . 25492 1 127 . 1 1 14 14 LEU HG H 1 0.329 0.04 . 1 . . . A 63 LEU HG . 25492 1 128 . 1 1 14 14 LEU HD11 H 1 0.554 0.04 . 2 . . . A 63 LEU HD11 . 25492 1 129 . 1 1 14 14 LEU HD12 H 1 0.554 0.04 . 2 . . . A 63 LEU HD12 . 25492 1 130 . 1 1 14 14 LEU HD13 H 1 0.554 0.04 . 2 . . . A 63 LEU HD13 . 25492 1 131 . 1 1 14 14 LEU HD21 H 1 0.555 0.04 . 2 . . . A 63 LEU HD21 . 25492 1 132 . 1 1 14 14 LEU HD22 H 1 0.555 0.04 . 2 . . . A 63 LEU HD22 . 25492 1 133 . 1 1 14 14 LEU HD23 H 1 0.555 0.04 . 2 . . . A 63 LEU HD23 . 25492 1 134 . 1 1 14 14 LEU C C 13 175.455 0.40 . 1 . . . A 63 LEU C . 25492 1 135 . 1 1 14 14 LEU CA C 13 55.175 0.40 . 1 . . . A 63 LEU CA . 25492 1 136 . 1 1 14 14 LEU CB C 13 48.522 0.40 . 1 . . . A 63 LEU CB . 25492 1 137 . 1 1 14 14 LEU CG C 13 27.333 0.40 . 1 . . . A 63 LEU CG . 25492 1 138 . 1 1 14 14 LEU CD1 C 13 25.448 0.40 . 2 . . . A 63 LEU CD1 . 25492 1 139 . 1 1 14 14 LEU CD2 C 13 25.435 0.40 . 2 . . . A 63 LEU CD2 . 25492 1 140 . 1 1 14 14 LEU N N 15 120.955 0.40 . 1 . . . A 63 LEU N . 25492 1 141 . 1 1 15 15 ARG H H 1 8.289 0.04 . 1 . . . A 64 ARG H . 25492 1 142 . 1 1 15 15 ARG HA H 1 4.725 0.04 . 1 . . . A 64 ARG HA . 25492 1 143 . 1 1 15 15 ARG HB2 H 1 1.617 0.04 . 2 . . . A 64 ARG HB2 . 25492 1 144 . 1 1 15 15 ARG HB3 H 1 1.510 0.04 . 2 . . . A 64 ARG HB3 . 25492 1 145 . 1 1 15 15 ARG HG2 H 1 1.229 0.04 . 2 . . . A 64 ARG HG2 . 25492 1 146 . 1 1 15 15 ARG HG3 H 1 1.187 0.04 . 2 . . . A 64 ARG HG3 . 25492 1 147 . 1 1 15 15 ARG HD2 H 1 2.891 0.04 . 2 . . . A 64 ARG HD2 . 25492 1 148 . 1 1 15 15 ARG HD3 H 1 2.856 0.04 . 2 . . . A 64 ARG HD3 . 25492 1 149 . 1 1 15 15 ARG C C 13 176.629 0.40 . 1 . . . A 64 ARG C . 25492 1 150 . 1 1 15 15 ARG CA C 13 55.584 0.40 . 1 . . . A 64 ARG CA . 25492 1 151 . 1 1 15 15 ARG CB C 13 31.603 0.40 . 1 . . . A 64 ARG CB . 25492 1 152 . 1 1 15 15 ARG CG C 13 28.152 0.40 . 1 . . . A 64 ARG CG . 25492 1 153 . 1 1 15 15 ARG CD C 13 43.767 0.40 . 1 . . . A 64 ARG CD . 25492 1 154 . 1 1 15 15 ARG N N 15 125.221 0.40 . 1 . . . A 64 ARG N . 25492 1 155 . 1 1 16 16 GLY H H 1 8.540 0.04 . 1 . . . A 65 GLY H . 25492 1 156 . 1 1 16 16 GLY HA2 H 1 4.268 0.04 . 2 . . . A 65 GLY HA2 . 25492 1 157 . 1 1 16 16 GLY HA3 H 1 3.051 0.04 . 2 . . . A 65 GLY HA3 . 25492 1 158 . 1 1 16 16 GLY C C 13 172.784 0.40 . 1 . . . A 65 GLY C . 25492 1 159 . 1 1 16 16 GLY CA C 13 45.566 0.40 . 1 . . . A 65 GLY CA . 25492 1 160 . 1 1 16 16 GLY N N 15 112.442 0.40 . 1 . . . A 65 GLY N . 25492 1 161 . 1 1 17 17 HIS H H 1 6.699 0.04 . 1 . . . A 66 HIS H . 25492 1 162 . 1 1 17 17 HIS HA H 1 4.984 0.04 . 1 . . . A 66 HIS HA . 25492 1 163 . 1 1 17 17 HIS HB2 H 1 2.350 0.04 . 2 . . . A 66 HIS HB2 . 25492 1 164 . 1 1 17 17 HIS HB3 H 1 2.604 0.04 . 2 . . . A 66 HIS HB3 . 25492 1 165 . 1 1 17 17 HIS C C 13 174.571 0.40 . 1 . . . A 66 HIS C . 25492 1 166 . 1 1 17 17 HIS CA C 13 57.791 0.40 . 1 . . . A 66 HIS CA . 25492 1 167 . 1 1 17 17 HIS CB C 13 35.851 0.40 . 1 . . . A 66 HIS CB . 25492 1 168 . 1 1 17 17 HIS N N 15 117.440 0.40 . 1 . . . A 66 HIS N . 25492 1 169 . 1 1 18 18 VAL H H 1 9.347 0.04 . 1 . . . A 67 VAL H . 25492 1 170 . 1 1 18 18 VAL HA H 1 4.080 0.04 . 1 . . . A 67 VAL HA . 25492 1 171 . 1 1 18 18 VAL HB H 1 1.819 0.04 . 1 . . . A 67 VAL HB . 25492 1 172 . 1 1 18 18 VAL HG11 H 1 0.472 0.04 . 2 . . . A 67 VAL HG11 . 25492 1 173 . 1 1 18 18 VAL HG12 H 1 0.472 0.04 . 2 . . . A 67 VAL HG12 . 25492 1 174 . 1 1 18 18 VAL HG13 H 1 0.472 0.04 . 2 . . . A 67 VAL HG13 . 25492 1 175 . 1 1 18 18 VAL HG21 H 1 0.493 0.04 . 2 . . . A 67 VAL HG21 . 25492 1 176 . 1 1 18 18 VAL HG22 H 1 0.493 0.04 . 2 . . . A 67 VAL HG22 . 25492 1 177 . 1 1 18 18 VAL HG23 H 1 0.493 0.04 . 2 . . . A 67 VAL HG23 . 25492 1 178 . 1 1 18 18 VAL C C 13 175.991 0.40 . 1 . . . A 67 VAL C . 25492 1 179 . 1 1 18 18 VAL CA C 13 62.350 0.40 . 1 . . . A 67 VAL CA . 25492 1 180 . 1 1 18 18 VAL CB C 13 32.894 0.40 . 1 . . . A 67 VAL CB . 25492 1 181 . 1 1 18 18 VAL CG1 C 13 22.472 0.40 . 2 . . . A 67 VAL CG1 . 25492 1 182 . 1 1 18 18 VAL CG2 C 13 23.954 0.40 . 2 . . . A 67 VAL CG2 . 25492 1 183 . 1 1 18 18 VAL N N 15 124.082 0.40 . 1 . . . A 67 VAL N . 25492 1 184 . 1 1 19 19 VAL H H 1 9.187 0.04 . 1 . . . A 68 VAL H . 25492 1 185 . 1 1 19 19 VAL HA H 1 4.983 0.04 . 1 . . . A 68 VAL HA . 25492 1 186 . 1 1 19 19 VAL HB H 1 2.349 0.04 . 1 . . . A 68 VAL HB . 25492 1 187 . 1 1 19 19 VAL HG11 H 1 0.755 0.04 . 2 . . . A 68 VAL HG11 . 25492 1 188 . 1 1 19 19 VAL HG12 H 1 0.755 0.04 . 2 . . . A 68 VAL HG12 . 25492 1 189 . 1 1 19 19 VAL HG13 H 1 0.755 0.04 . 2 . . . A 68 VAL HG13 . 25492 1 190 . 1 1 19 19 VAL HG21 H 1 0.797 0.04 . 2 . . . A 68 VAL HG21 . 25492 1 191 . 1 1 19 19 VAL HG22 H 1 0.797 0.04 . 2 . . . A 68 VAL HG22 . 25492 1 192 . 1 1 19 19 VAL HG23 H 1 0.797 0.04 . 2 . . . A 68 VAL HG23 . 25492 1 193 . 1 1 19 19 VAL C C 13 176.940 0.40 . 1 . . . A 68 VAL C . 25492 1 194 . 1 1 19 19 VAL CA C 13 60.095 0.40 . 1 . . . A 68 VAL CA . 25492 1 195 . 1 1 19 19 VAL CB C 13 35.866 0.40 . 1 . . . A 68 VAL CB . 25492 1 196 . 1 1 19 19 VAL CG1 C 13 22.685 0.40 . 2 . . . A 68 VAL CG1 . 25492 1 197 . 1 1 19 19 VAL CG2 C 13 19.209 0.40 . 2 . . . A 68 VAL CG2 . 25492 1 198 . 1 1 19 19 VAL N N 15 119.330 0.40 . 1 . . . A 68 VAL N . 25492 1 199 . 1 1 20 20 GLY H H 1 9.160 0.04 . 1 . . . A 69 GLY H . 25492 1 200 . 1 1 20 20 GLY HA2 H 1 4.178 0.04 . 2 . . . A 69 GLY HA2 . 25492 1 201 . 1 1 20 20 GLY HA3 H 1 3.801 0.04 . 2 . . . A 69 GLY HA3 . 25492 1 202 . 1 1 20 20 GLY C C 13 176.080 0.40 . 1 . . . A 69 GLY C . 25492 1 203 . 1 1 20 20 GLY CA C 13 47.754 0.40 . 1 . . . A 69 GLY CA . 25492 1 204 . 1 1 20 20 GLY N N 15 108.799 0.40 . 1 . . . A 69 GLY N . 25492 1 205 . 1 1 21 21 LEU H H 1 6.761 0.04 . 1 . . . A 70 LEU H . 25492 1 206 . 1 1 21 21 LEU HA H 1 4.096 0.04 . 1 . . . A 70 LEU HA . 25492 1 207 . 1 1 21 21 LEU HB2 H 1 1.191 0.04 . 2 . . . A 70 LEU HB2 . 25492 1 208 . 1 1 21 21 LEU HB3 H 1 1.216 0.04 . 2 . . . A 70 LEU HB3 . 25492 1 209 . 1 1 21 21 LEU HG H 1 1.313 0.04 . 1 . . . A 70 LEU HG . 25492 1 210 . 1 1 21 21 LEU HD11 H 1 0.329 0.04 . 2 . . . A 70 LEU HD11 . 25492 1 211 . 1 1 21 21 LEU HD12 H 1 0.329 0.04 . 2 . . . A 70 LEU HD12 . 25492 1 212 . 1 1 21 21 LEU HD13 H 1 0.329 0.04 . 2 . . . A 70 LEU HD13 . 25492 1 213 . 1 1 21 21 LEU HD21 H 1 0.397 0.04 . 2 . . . A 70 LEU HD21 . 25492 1 214 . 1 1 21 21 LEU HD22 H 1 0.397 0.04 . 2 . . . A 70 LEU HD22 . 25492 1 215 . 1 1 21 21 LEU HD23 H 1 0.397 0.04 . 2 . . . A 70 LEU HD23 . 25492 1 216 . 1 1 21 21 LEU C C 13 180.919 0.40 . 1 . . . A 70 LEU C . 25492 1 217 . 1 1 21 21 LEU CA C 13 58.104 0.40 . 1 . . . A 70 LEU CA . 25492 1 218 . 1 1 21 21 LEU CB C 13 41.908 0.40 . 1 . . . A 70 LEU CB . 25492 1 219 . 1 1 21 21 LEU CG C 13 28.502 0.40 . 1 . . . A 70 LEU CG . 25492 1 220 . 1 1 21 21 LEU CD1 C 13 27.089 0.40 . 2 . . . A 70 LEU CD1 . 25492 1 221 . 1 1 21 21 LEU CD2 C 13 24.856 0.40 . 2 . . . A 70 LEU CD2 . 25492 1 222 . 1 1 21 21 LEU N N 15 115.170 0.40 . 1 . . . A 70 LEU N . 25492 1 223 . 1 1 22 22 ARG H H 1 8.167 0.04 . 1 . . . A 71 ARG H . 25492 1 224 . 1 1 22 22 ARG HA H 1 3.749 0.04 . 1 . . . A 71 ARG HA . 25492 1 225 . 1 1 22 22 ARG HB2 H 1 1.007 0.04 . 2 . . . A 71 ARG HB2 . 25492 1 226 . 1 1 22 22 ARG HB3 H 1 1.179 0.04 . 2 . . . A 71 ARG HB3 . 25492 1 227 . 1 1 22 22 ARG HG2 H 1 0.687 0.04 . 2 . . . A 71 ARG HG2 . 25492 1 228 . 1 1 22 22 ARG HG3 H 1 0.048 0.04 . 2 . . . A 71 ARG HG3 . 25492 1 229 . 1 1 22 22 ARG HD2 H 1 2.520 0.04 . 2 . . . A 71 ARG HD2 . 25492 1 230 . 1 1 22 22 ARG HD3 H 1 2.492 0.04 . 2 . . . A 71 ARG HD3 . 25492 1 231 . 1 1 22 22 ARG C C 13 177.953 0.40 . 1 . . . A 71 ARG C . 25492 1 232 . 1 1 22 22 ARG CA C 13 58.113 0.40 . 1 . . . A 71 ARG CA . 25492 1 233 . 1 1 22 22 ARG CB C 13 30.068 0.40 . 1 . . . A 71 ARG CB . 25492 1 234 . 1 1 22 22 ARG CG C 13 25.632 0.40 . 1 . . . A 71 ARG CG . 25492 1 235 . 1 1 22 22 ARG CD C 13 44.772 0.40 . 1 . . . A 71 ARG CD . 25492 1 236 . 1 1 22 22 ARG N N 15 114.239 0.40 . 1 . . . A 71 ARG N . 25492 1 237 . 1 1 23 23 TYR H H 1 7.333 0.04 . 1 . . . A 72 TYR H . 25492 1 238 . 1 1 23 23 TYR HA H 1 3.815 0.04 . 1 . . . A 72 TYR HA . 25492 1 239 . 1 1 23 23 TYR HB2 H 1 2.254 0.04 . 2 . . . A 72 TYR HB2 . 25492 1 240 . 1 1 23 23 TYR HB3 H 1 1.838 0.04 . 2 . . . A 72 TYR HB3 . 25492 1 241 . 1 1 23 23 TYR C C 13 174.749 0.40 . 1 . . . A 72 TYR C . 25492 1 242 . 1 1 23 23 TYR CA C 13 58.814 0.40 . 1 . . . A 72 TYR CA . 25492 1 243 . 1 1 23 23 TYR CB C 13 37.817 0.40 . 1 . . . A 72 TYR CB . 25492 1 244 . 1 1 23 23 TYR N N 15 119.348 0.40 . 1 . . . A 72 TYR N . 25492 1 245 . 1 1 24 24 TYR H H 1 6.986 0.04 . 1 . . . A 73 TYR H . 25492 1 246 . 1 1 24 24 TYR HA H 1 3.769 0.04 . 1 . . . A 73 TYR HA . 25492 1 247 . 1 1 24 24 TYR C C 13 176.716 0.40 . 1 . . . A 73 TYR C . 25492 1 248 . 1 1 24 24 TYR CA C 13 57.384 0.40 . 1 . . . A 73 TYR CA . 25492 1 249 . 1 1 24 24 TYR N N 15 117.827 0.40 . 1 . . . A 73 TYR N . 25492 1 250 . 1 1 25 25 THR H H 1 8.350 0.04 . 1 . . . A 74 THR H . 25492 1 251 . 1 1 25 25 THR HA H 1 4.339 0.04 . 1 . . . A 74 THR HA . 25492 1 252 . 1 1 25 25 THR HB H 1 4.182 0.04 . 1 . . . A 74 THR HB . 25492 1 253 . 1 1 25 25 THR HG21 H 1 0.836 0.04 . 1 . . . A 74 THR HG21 . 25492 1 254 . 1 1 25 25 THR HG22 H 1 0.836 0.04 . 1 . . . A 74 THR HG22 . 25492 1 255 . 1 1 25 25 THR HG23 H 1 0.836 0.04 . 1 . . . A 74 THR HG23 . 25492 1 256 . 1 1 25 25 THR C C 13 177.109 0.40 . 1 . . . A 74 THR C . 25492 1 257 . 1 1 25 25 THR CA C 13 61.869 0.40 . 1 . . . A 74 THR CA . 25492 1 258 . 1 1 25 25 THR CB C 13 70.817 0.40 . 1 . . . A 74 THR CB . 25492 1 259 . 1 1 25 25 THR CG2 C 13 22.472 0.40 . 1 . . . A 74 THR CG2 . 25492 1 260 . 1 1 25 25 THR N N 15 108.253 0.40 . 1 . . . A 74 THR N . 25492 1 261 . 1 1 26 26 GLY H H 1 7.589 0.04 . 1 . . . A 75 GLY H . 25492 1 262 . 1 1 26 26 GLY HA2 H 1 3.607 0.04 . 2 . . . A 75 GLY HA2 . 25492 1 263 . 1 1 26 26 GLY HA3 H 1 2.780 0.04 . 2 . . . A 75 GLY HA3 . 25492 1 264 . 1 1 26 26 GLY C C 13 173.903 0.40 . 1 . . . A 75 GLY C . 25492 1 265 . 1 1 26 26 GLY CA C 13 47.066 0.40 . 1 . . . A 75 GLY CA . 25492 1 266 . 1 1 26 26 GLY N N 15 111.655 0.40 . 1 . . . A 75 GLY N . 25492 1 267 . 1 1 27 27 VAL H H 1 7.683 0.04 . 1 . . . A 76 VAL H . 25492 1 268 . 1 1 27 27 VAL HA H 1 4.159 0.04 . 1 . . . A 76 VAL HA . 25492 1 269 . 1 1 27 27 VAL HB H 1 1.663 0.04 . 1 . . . A 76 VAL HB . 25492 1 270 . 1 1 27 27 VAL HG11 H 1 0.528 0.04 . 2 . . . A 76 VAL HG11 . 25492 1 271 . 1 1 27 27 VAL HG12 H 1 0.528 0.04 . 2 . . . A 76 VAL HG12 . 25492 1 272 . 1 1 27 27 VAL HG13 H 1 0.528 0.04 . 2 . . . A 76 VAL HG13 . 25492 1 273 . 1 1 27 27 VAL HG21 H 1 0.583 0.04 . 2 . . . A 76 VAL HG21 . 25492 1 274 . 1 1 27 27 VAL HG22 H 1 0.583 0.04 . 2 . . . A 76 VAL HG22 . 25492 1 275 . 1 1 27 27 VAL HG23 H 1 0.583 0.04 . 2 . . . A 76 VAL HG23 . 25492 1 276 . 1 1 27 27 VAL C C 13 176.771 0.40 . 1 . . . A 76 VAL C . 25492 1 277 . 1 1 27 27 VAL CA C 13 61.795 0.40 . 1 . . . A 76 VAL CA . 25492 1 278 . 1 1 27 27 VAL CB C 13 35.413 0.40 . 1 . . . A 76 VAL CB . 25492 1 279 . 1 1 27 27 VAL CG1 C 13 22.335 0.40 . 2 . . . A 76 VAL CG1 . 25492 1 280 . 1 1 27 27 VAL CG2 C 13 21.022 0.40 . 2 . . . A 76 VAL CG2 . 25492 1 281 . 1 1 27 27 VAL N N 15 122.677 0.40 . 1 . . . A 76 VAL N . 25492 1 282 . 1 1 28 28 VAL H H 1 8.470 0.04 . 1 . . . A 77 VAL H . 25492 1 283 . 1 1 28 28 VAL HA H 1 4.057 0.04 . 1 . . . A 77 VAL HA . 25492 1 284 . 1 1 28 28 VAL HB H 1 1.553 0.04 . 1 . . . A 77 VAL HB . 25492 1 285 . 1 1 28 28 VAL HG11 H 1 0.524 0.04 . 2 . . . A 77 VAL HG11 . 25492 1 286 . 1 1 28 28 VAL HG12 H 1 0.524 0.04 . 2 . . . A 77 VAL HG12 . 25492 1 287 . 1 1 28 28 VAL HG13 H 1 0.524 0.04 . 2 . . . A 77 VAL HG13 . 25492 1 288 . 1 1 28 28 VAL HG21 H 1 0.583 0.04 . 2 . . . A 77 VAL HG21 . 25492 1 289 . 1 1 28 28 VAL HG22 H 1 0.583 0.04 . 2 . . . A 77 VAL HG22 . 25492 1 290 . 1 1 28 28 VAL HG23 H 1 0.583 0.04 . 2 . . . A 77 VAL HG23 . 25492 1 291 . 1 1 28 28 VAL C C 13 173.920 0.40 . 1 . . . A 77 VAL C . 25492 1 292 . 1 1 28 28 VAL CA C 13 61.073 0.40 . 1 . . . A 77 VAL CA . 25492 1 293 . 1 1 28 28 VAL CB C 13 36.582 0.40 . 1 . . . A 77 VAL CB . 25492 1 294 . 1 1 28 28 VAL CG1 C 13 22.697 0.40 . 2 . . . A 77 VAL CG1 . 25492 1 295 . 1 1 28 28 VAL CG2 C 13 22.891 0.40 . 2 . . . A 77 VAL CG2 . 25492 1 296 . 1 1 28 28 VAL N N 15 123.680 0.40 . 1 . . . A 77 VAL N . 25492 1 297 . 1 1 29 29 ASN H H 1 7.519 0.04 . 1 . . . A 78 ASN H . 25492 1 298 . 1 1 29 29 ASN HA H 1 4.510 0.04 . 1 . . . A 78 ASN HA . 25492 1 299 . 1 1 29 29 ASN HB2 H 1 2.348 0.04 . 2 . . . A 78 ASN HB2 . 25492 1 300 . 1 1 29 29 ASN HB3 H 1 2.062 0.04 . 2 . . . A 78 ASN HB3 . 25492 1 301 . 1 1 29 29 ASN C C 13 174.637 0.40 . 1 . . . A 78 ASN C . 25492 1 302 . 1 1 29 29 ASN CA C 13 52.136 0.40 . 1 . . . A 78 ASN CA . 25492 1 303 . 1 1 29 29 ASN CB C 13 42.117 0.40 . 1 . . . A 78 ASN CB . 25492 1 304 . 1 1 29 29 ASN N N 15 121.071 0.40 . 1 . . . A 78 ASN N . 25492 1 305 . 1 1 30 30 ASN H H 1 8.069 0.04 . 1 . . . A 79 ASN H . 25492 1 306 . 1 1 30 30 ASN HA H 1 3.785 0.04 . 1 . . . A 79 ASN HA . 25492 1 307 . 1 1 30 30 ASN HB2 H 1 2.267 0.04 . 2 . . . A 79 ASN HB2 . 25492 1 308 . 1 1 30 30 ASN HB3 H 1 2.213 0.04 . 2 . . . A 79 ASN HB3 . 25492 1 309 . 1 1 30 30 ASN C C 13 177.430 0.40 . 1 . . . A 79 ASN C . 25492 1 310 . 1 1 30 30 ASN CA C 13 55.865 0.40 . 1 . . . A 79 ASN CA . 25492 1 311 . 1 1 30 30 ASN CB C 13 39.073 0.40 . 1 . . . A 79 ASN CB . 25492 1 312 . 1 1 30 30 ASN N N 15 117.674 0.40 . 1 . . . A 79 ASN N . 25492 1 313 . 1 1 31 31 ASN H H 1 8.810 0.04 . 1 . . . A 80 ASN H . 25492 1 314 . 1 1 31 31 ASN HA H 1 3.835 0.04 . 1 . . . A 80 ASN HA . 25492 1 315 . 1 1 31 31 ASN HB2 H 1 2.701 0.04 . 2 . . . A 80 ASN HB2 . 25492 1 316 . 1 1 31 31 ASN HB3 H 1 2.506 0.04 . 2 . . . A 80 ASN HB3 . 25492 1 317 . 1 1 31 31 ASN C C 13 174.497 0.40 . 1 . . . A 80 ASN C . 25492 1 318 . 1 1 31 31 ASN CA C 13 55.890 0.40 . 1 . . . A 80 ASN CA . 25492 1 319 . 1 1 31 31 ASN CB C 13 38.364 0.40 . 1 . . . A 80 ASN CB . 25492 1 320 . 1 1 31 31 ASN N N 15 117.097 0.40 . 1 . . . A 80 ASN N . 25492 1 321 . 1 1 32 32 GLU H H 1 7.224 0.04 . 1 . . . A 81 GLU H . 25492 1 322 . 1 1 32 32 GLU HA H 1 4.056 0.04 . 1 . . . A 81 GLU HA . 25492 1 323 . 1 1 32 32 GLU HB2 H 1 1.825 0.04 . 2 . . . A 81 GLU HB2 . 25492 1 324 . 1 1 32 32 GLU HB3 H 1 1.626 0.04 . 2 . . . A 81 GLU HB3 . 25492 1 325 . 1 1 32 32 GLU HG2 H 1 2.155 0.04 . 2 . . . A 81 GLU HG2 . 25492 1 326 . 1 1 32 32 GLU HG3 H 1 1.930 0.04 . 2 . . . A 81 GLU HG3 . 25492 1 327 . 1 1 32 32 GLU C C 13 176.013 0.40 . 1 . . . A 81 GLU C . 25492 1 328 . 1 1 32 32 GLU CA C 13 56.903 0.40 . 1 . . . A 81 GLU CA . 25492 1 329 . 1 1 32 32 GLU CB C 13 33.459 0.40 . 1 . . . A 81 GLU CB . 25492 1 330 . 1 1 32 32 GLU CG C 13 38.754 0.40 . 1 . . . A 81 GLU CG . 25492 1 331 . 1 1 32 32 GLU N N 15 120.093 0.40 . 1 . . . A 81 GLU N . 25492 1 332 . 1 1 33 33 MET H H 1 7.834 0.04 . 1 . . . A 82 MET H . 25492 1 333 . 1 1 33 33 MET HA H 1 4.633 0.04 . 1 . . . A 82 MET HA . 25492 1 334 . 1 1 33 33 MET HB2 H 1 1.754 0.04 . 2 . . . A 82 MET HB2 . 25492 1 335 . 1 1 33 33 MET HB3 H 1 1.723 0.04 . 2 . . . A 82 MET HB3 . 25492 1 336 . 1 1 33 33 MET HG2 H 1 2.330 0.04 . 2 . . . A 82 MET HG2 . 25492 1 337 . 1 1 33 33 MET HG3 H 1 2.288 0.04 . 2 . . . A 82 MET HG3 . 25492 1 338 . 1 1 33 33 MET HE1 H 1 1.722 0.04 . 1 . . . A 82 MET HE1 . 25492 1 339 . 1 1 33 33 MET HE2 H 1 1.722 0.04 . 1 . . . A 82 MET HE2 . 25492 1 340 . 1 1 33 33 MET HE3 H 1 1.722 0.04 . 1 . . . A 82 MET HE3 . 25492 1 341 . 1 1 33 33 MET C C 13 176.181 0.40 . 1 . . . A 82 MET C . 25492 1 342 . 1 1 33 33 MET CA C 13 56.515 0.40 . 1 . . . A 82 MET CA . 25492 1 343 . 1 1 33 33 MET CB C 13 34.397 0.40 . 1 . . . A 82 MET CB . 25492 1 344 . 1 1 33 33 MET CG C 13 32.859 0.40 . 1 . . . A 82 MET CG . 25492 1 345 . 1 1 33 33 MET CE C 13 17.784 0.40 . 1 . . . A 82 MET CE . 25492 1 346 . 1 1 33 33 MET N N 15 121.855 0.40 . 1 . . . A 82 MET N . 25492 1 347 . 1 1 34 34 VAL H H 1 7.395 0.04 . 1 . . . A 83 VAL H . 25492 1 348 . 1 1 34 34 VAL HA H 1 4.241 0.04 . 1 . . . A 83 VAL HA . 25492 1 349 . 1 1 34 34 VAL HB H 1 1.795 0.04 . 1 . . . A 83 VAL HB . 25492 1 350 . 1 1 34 34 VAL HG11 H 1 0.339 0.04 . 2 . . . A 83 VAL HG11 . 25492 1 351 . 1 1 34 34 VAL HG12 H 1 0.339 0.04 . 2 . . . A 83 VAL HG12 . 25492 1 352 . 1 1 34 34 VAL HG13 H 1 0.339 0.04 . 2 . . . A 83 VAL HG13 . 25492 1 353 . 1 1 34 34 VAL HG21 H 1 0.068 0.04 . 2 . . . A 83 VAL HG21 . 25492 1 354 . 1 1 34 34 VAL HG22 H 1 0.068 0.04 . 2 . . . A 83 VAL HG22 . 25492 1 355 . 1 1 34 34 VAL HG23 H 1 0.068 0.04 . 2 . . . A 83 VAL HG23 . 25492 1 356 . 1 1 34 34 VAL C C 13 174.847 0.40 . 1 . . . A 83 VAL C . 25492 1 357 . 1 1 34 34 VAL CA C 13 59.792 0.40 . 1 . . . A 83 VAL CA . 25492 1 358 . 1 1 34 34 VAL CB C 13 34.747 0.40 . 1 . . . A 83 VAL CB . 25492 1 359 . 1 1 34 34 VAL CG1 C 13 23.357 0.40 . 2 . . . A 83 VAL CG1 . 25492 1 360 . 1 1 34 34 VAL CG2 C 13 19.359 0.40 . 2 . . . A 83 VAL CG2 . 25492 1 361 . 1 1 34 34 VAL N N 15 112.666 0.40 . 1 . . . A 83 VAL N . 25492 1 362 . 1 1 35 35 ALA H H 1 8.571 0.04 . 1 . . . A 84 ALA H . 25492 1 363 . 1 1 35 35 ALA HA H 1 4.393 0.04 . 1 . . . A 84 ALA HA . 25492 1 364 . 1 1 35 35 ALA HB1 H 1 0.866 0.04 . 1 . . . A 84 ALA HB1 . 25492 1 365 . 1 1 35 35 ALA HB2 H 1 0.866 0.04 . 1 . . . A 84 ALA HB2 . 25492 1 366 . 1 1 35 35 ALA HB3 H 1 0.866 0.04 . 1 . . . A 84 ALA HB3 . 25492 1 367 . 1 1 35 35 ALA C C 13 176.681 0.40 . 1 . . . A 84 ALA C . 25492 1 368 . 1 1 35 35 ALA CA C 13 51.363 0.40 . 1 . . . A 84 ALA CA . 25492 1 369 . 1 1 35 35 ALA CB C 13 22.694 0.40 . 1 . . . A 84 ALA CB . 25492 1 370 . 1 1 35 35 ALA N N 15 124.024 0.40 . 1 . . . A 84 ALA N . 25492 1 371 . 1 1 36 36 LEU H H 1 8.109 0.04 . 1 . . . A 85 LEU H . 25492 1 372 . 1 1 36 36 LEU HA H 1 4.695 0.04 . 1 . . . A 85 LEU HA . 25492 1 373 . 1 1 36 36 LEU HB2 H 1 1.349 0.04 . 2 . . . A 85 LEU HB2 . 25492 1 374 . 1 1 36 36 LEU HB3 H 1 0.739 0.04 . 2 . . . A 85 LEU HB3 . 25492 1 375 . 1 1 36 36 LEU HG H 1 1.189 0.04 . 1 . . . A 85 LEU HG . 25492 1 376 . 1 1 36 36 LEU HD11 H 1 0.295 0.04 . 2 . . . A 85 LEU HD11 . 25492 1 377 . 1 1 36 36 LEU HD12 H 1 0.295 0.04 . 2 . . . A 85 LEU HD12 . 25492 1 378 . 1 1 36 36 LEU HD13 H 1 0.295 0.04 . 2 . . . A 85 LEU HD13 . 25492 1 379 . 1 1 36 36 LEU HD21 H 1 0.296 0.04 . 2 . . . A 85 LEU HD21 . 25492 1 380 . 1 1 36 36 LEU HD22 H 1 0.296 0.04 . 2 . . . A 85 LEU HD22 . 25492 1 381 . 1 1 36 36 LEU HD23 H 1 0.296 0.04 . 2 . . . A 85 LEU HD23 . 25492 1 382 . 1 1 36 36 LEU C C 13 177.702 0.40 . 1 . . . A 85 LEU C . 25492 1 383 . 1 1 36 36 LEU CA C 13 54.511 0.40 . 1 . . . A 85 LEU CA . 25492 1 384 . 1 1 36 36 LEU CB C 13 43.062 0.40 . 1 . . . A 85 LEU CB . 25492 1 385 . 1 1 36 36 LEU CG C 13 29.020 0.40 . 1 . . . A 85 LEU CG . 25492 1 386 . 1 1 36 36 LEU CD1 C 13 25.632 0.40 . 2 . . . A 85 LEU CD1 . 25492 1 387 . 1 1 36 36 LEU CD2 C 13 25.773 0.40 . 2 . . . A 85 LEU CD2 . 25492 1 388 . 1 1 36 36 LEU N N 15 122.948 0.40 . 1 . . . A 85 LEU N . 25492 1 389 . 1 1 37 37 GLN H H 1 8.483 0.04 . 1 . . . A 86 GLN H . 25492 1 390 . 1 1 37 37 GLN HA H 1 4.345 0.04 . 1 . . . A 86 GLN HA . 25492 1 391 . 1 1 37 37 GLN HB2 H 1 1.503 0.04 . 2 . . . A 86 GLN HB2 . 25492 1 392 . 1 1 37 37 GLN HB3 H 1 1.262 0.04 . 2 . . . A 86 GLN HB3 . 25492 1 393 . 1 1 37 37 GLN HG2 H 1 2.016 0.04 . 2 . . . A 86 GLN HG2 . 25492 1 394 . 1 1 37 37 GLN HG3 H 1 1.829 0.04 . 2 . . . A 86 GLN HG3 . 25492 1 395 . 1 1 37 37 GLN C C 13 176.050 0.40 . 1 . . . A 86 GLN C . 25492 1 396 . 1 1 37 37 GLN CA C 13 55.028 0.40 . 1 . . . A 86 GLN CA . 25492 1 397 . 1 1 37 37 GLN CB C 13 33.859 0.40 . 1 . . . A 86 GLN CB . 25492 1 398 . 1 1 37 37 GLN CG C 13 34.235 0.40 . 1 . . . A 86 GLN CG . 25492 1 399 . 1 1 37 37 GLN N N 15 124.316 0.40 . 1 . . . A 86 GLN N . 25492 1 400 . 1 1 38 38 ARG H H 1 9.130 0.04 . 1 . . . A 87 ARG H . 25492 1 401 . 1 1 38 38 ARG HB2 H 1 1.049 0.04 . 2 . . . A 87 ARG HB2 . 25492 1 402 . 1 1 38 38 ARG HB3 H 1 1.202 0.04 . 2 . . . A 87 ARG HB3 . 25492 1 403 . 1 1 38 38 ARG C C 13 177.068 0.40 . 1 . . . A 87 ARG C . 25492 1 404 . 1 1 38 38 ARG CB C 13 30.030 0.40 . 1 . . . A 87 ARG CB . 25492 1 405 . 1 1 38 38 ARG N N 15 130.047 0.40 . 1 . . . A 87 ARG N . 25492 1 406 . 1 1 39 39 ASP H H 1 7.849 0.04 . 1 . . . A 88 ASP H . 25492 1 407 . 1 1 39 39 ASP HA H 1 4.908 0.04 . 1 . . . A 88 ASP HA . 25492 1 408 . 1 1 39 39 ASP HB2 H 1 1.941 0.04 . 2 . . . A 88 ASP HB2 . 25492 1 409 . 1 1 39 39 ASP HB3 H 1 2.621 0.04 . 2 . . . A 88 ASP HB3 . 25492 1 410 . 1 1 39 39 ASP CA C 13 51.677 0.40 . 1 . . . A 88 ASP CA . 25492 1 411 . 1 1 39 39 ASP CB C 13 43.123 0.40 . 1 . . . A 88 ASP CB . 25492 1 412 . 1 1 39 39 ASP N N 15 119.223 0.40 . 1 . . . A 88 ASP N . 25492 1 413 . 1 1 40 40 PRO HA H 1 4.579 0.04 . 1 . . . A 89 PRO HA . 25492 1 414 . 1 1 40 40 PRO HB2 H 1 2.052 0.04 . 2 . . . A 89 PRO HB2 . 25492 1 415 . 1 1 40 40 PRO HB3 H 1 1.702 0.04 . 2 . . . A 89 PRO HB3 . 25492 1 416 . 1 1 40 40 PRO HG2 H 1 1.637 0.04 . 2 . . . A 89 PRO HG2 . 25492 1 417 . 1 1 40 40 PRO HG3 H 1 1.564 0.04 . 2 . . . A 89 PRO HG3 . 25492 1 418 . 1 1 40 40 PRO HD2 H 1 3.558 0.04 . 2 . . . A 89 PRO HD2 . 25492 1 419 . 1 1 40 40 PRO HD3 H 1 2.981 0.04 . 2 . . . A 89 PRO HD3 . 25492 1 420 . 1 1 40 40 PRO C C 13 177.589 0.40 . 1 . . . A 89 PRO C . 25492 1 421 . 1 1 40 40 PRO CA C 13 64.305 0.40 . 1 . . . A 89 PRO CA . 25492 1 422 . 1 1 40 40 PRO CB C 13 33.195 0.40 . 1 . . . A 89 PRO CB . 25492 1 423 . 1 1 40 40 PRO CG C 13 27.842 0.40 . 1 . . . A 89 PRO CG . 25492 1 424 . 1 1 40 40 PRO CD C 13 51.297 0.40 . 1 . . . A 89 PRO CD . 25492 1 425 . 1 1 41 41 ASN H H 1 7.583 0.04 . 1 . . . A 90 ASN H . 25492 1 426 . 1 1 41 41 ASN HA H 1 4.446 0.04 . 1 . . . A 90 ASN HA . 25492 1 427 . 1 1 41 41 ASN HB2 H 1 2.603 0.04 . 2 . . . A 90 ASN HB2 . 25492 1 428 . 1 1 41 41 ASN HB3 H 1 2.335 0.04 . 2 . . . A 90 ASN HB3 . 25492 1 429 . 1 1 41 41 ASN C C 13 175.263 0.40 . 1 . . . A 90 ASN C . 25492 1 430 . 1 1 41 41 ASN CA C 13 53.252 0.40 . 1 . . . A 90 ASN CA . 25492 1 431 . 1 1 41 41 ASN CB C 13 39.789 0.40 . 1 . . . A 90 ASN CB . 25492 1 432 . 1 1 41 41 ASN N N 15 116.029 0.40 . 1 . . . A 90 ASN N . 25492 1 433 . 1 1 42 42 ASN H H 1 7.068 0.04 . 1 . . . A 91 ASN H . 25492 1 434 . 1 1 42 42 ASN HA H 1 4.296 0.04 . 1 . . . A 91 ASN HA . 25492 1 435 . 1 1 42 42 ASN HB2 H 1 2.391 0.04 . 2 . . . A 91 ASN HB2 . 25492 1 436 . 1 1 42 42 ASN HB3 H 1 2.939 0.04 . 2 . . . A 91 ASN HB3 . 25492 1 437 . 1 1 42 42 ASN CA C 13 53.608 0.40 . 1 . . . A 91 ASN CA . 25492 1 438 . 1 1 42 42 ASN CB C 13 40.183 0.40 . 1 . . . A 91 ASN CB . 25492 1 439 . 1 1 42 42 ASN N N 15 125.053 0.40 . 1 . . . A 91 ASN N . 25492 1 440 . 1 1 43 43 PRO HA H 1 3.773 0.04 . 1 . . . A 92 PRO HA . 25492 1 441 . 1 1 43 43 PRO HB2 H 1 1.666 0.04 . 2 . . . A 92 PRO HB2 . 25492 1 442 . 1 1 43 43 PRO HB3 H 1 0.927 0.04 . 2 . . . A 92 PRO HB3 . 25492 1 443 . 1 1 43 43 PRO HG2 H 1 1.236 0.04 . 2 . . . A 92 PRO HG2 . 25492 1 444 . 1 1 43 43 PRO HG3 H 1 1.525 0.04 . 2 . . . A 92 PRO HG3 . 25492 1 445 . 1 1 43 43 PRO HD2 H 1 3.272 0.04 . 2 . . . A 92 PRO HD2 . 25492 1 446 . 1 1 43 43 PRO HD3 H 1 3.600 0.04 . 2 . . . A 92 PRO HD3 . 25492 1 447 . 1 1 43 43 PRO C C 13 177.564 0.40 . 1 . . . A 92 PRO C . 25492 1 448 . 1 1 43 43 PRO CA C 13 64.860 0.40 . 1 . . . A 92 PRO CA . 25492 1 449 . 1 1 43 43 PRO CB C 13 32.377 0.40 . 1 . . . A 92 PRO CB . 25492 1 450 . 1 1 43 43 PRO CG C 13 27.655 0.40 . 1 . . . A 92 PRO CG . 25492 1 451 . 1 1 43 43 PRO CD C 13 51.636 0.40 . 1 . . . A 92 PRO CD . 25492 1 452 . 1 1 44 44 TYR H H 1 7.920 0.04 . 1 . . . A 93 TYR H . 25492 1 453 . 1 1 44 44 TYR HA H 1 3.776 0.04 . 1 . . . A 93 TYR HA . 25492 1 454 . 1 1 44 44 TYR HB2 H 1 1.942 0.04 . 2 . . . A 93 TYR HB2 . 25492 1 455 . 1 1 44 44 TYR HB3 H 1 2.433 0.04 . 2 . . . A 93 TYR HB3 . 25492 1 456 . 1 1 44 44 TYR C C 13 176.938 0.40 . 1 . . . A 93 TYR C . 25492 1 457 . 1 1 44 44 TYR CA C 13 59.903 0.40 . 1 . . . A 93 TYR CA . 25492 1 458 . 1 1 44 44 TYR CB C 13 39.108 0.40 . 1 . . . A 93 TYR CB . 25492 1 459 . 1 1 44 44 TYR N N 15 117.807 0.40 . 1 . . . A 93 TYR N . 25492 1 460 . 1 1 45 45 ASP H H 1 6.995 0.04 . 1 . . . A 94 ASP H . 25492 1 461 . 1 1 45 45 ASP HA H 1 4.189 0.04 . 1 . . . A 94 ASP HA . 25492 1 462 . 1 1 45 45 ASP HB2 H 1 2.397 0.04 . 2 . . . A 94 ASP HB2 . 25492 1 463 . 1 1 45 45 ASP HB3 H 1 2.136 0.04 . 2 . . . A 94 ASP HB3 . 25492 1 464 . 1 1 45 45 ASP C C 13 176.160 0.40 . 1 . . . A 94 ASP C . 25492 1 465 . 1 1 45 45 ASP CA C 13 54.581 0.40 . 1 . . . A 94 ASP CA . 25492 1 466 . 1 1 45 45 ASP CB C 13 43.096 0.40 . 1 . . . A 94 ASP CB . 25492 1 467 . 1 1 45 45 ASP N N 15 118.032 0.40 . 1 . . . A 94 ASP N . 25492 1 468 . 1 1 46 46 LYS H H 1 8.470 0.04 . 1 . . . A 95 LYS H . 25492 1 469 . 1 1 46 46 LYS HA H 1 3.945 0.04 . 1 . . . A 95 LYS HA . 25492 1 470 . 1 1 46 46 LYS HB2 H 1 1.591 0.04 . 2 . . . A 95 LYS HB2 . 25492 1 471 . 1 1 46 46 LYS HB3 H 1 1.591 0.04 . 2 . . . A 95 LYS HB3 . 25492 1 472 . 1 1 46 46 LYS HG2 H 1 1.192 0.04 . 2 . . . A 95 LYS HG2 . 25492 1 473 . 1 1 46 46 LYS HG3 H 1 1.025 0.04 . 2 . . . A 95 LYS HG3 . 25492 1 474 . 1 1 46 46 LYS HD2 H 1 1.373 0.04 . 2 . . . A 95 LYS HD2 . 25492 1 475 . 1 1 46 46 LYS HD3 H 1 1.373 0.04 . 2 . . . A 95 LYS HD3 . 25492 1 476 . 1 1 46 46 LYS HE2 H 1 2.632 0.04 . 2 . . . A 95 LYS HE2 . 25492 1 477 . 1 1 46 46 LYS HE3 H 1 2.632 0.04 . 2 . . . A 95 LYS HE3 . 25492 1 478 . 1 1 46 46 LYS C C 13 178.263 0.40 . 1 . . . A 95 LYS C . 25492 1 479 . 1 1 46 46 LYS CA C 13 59.082 0.40 . 1 . . . A 95 LYS CA . 25492 1 480 . 1 1 46 46 LYS CB C 13 32.387 0.40 . 1 . . . A 95 LYS CB . 25492 1 481 . 1 1 46 46 LYS CG C 13 24.804 0.40 . 1 . . . A 95 LYS CG . 25492 1 482 . 1 1 46 46 LYS CD C 13 30.082 0.40 . 1 . . . A 95 LYS CD . 25492 1 483 . 1 1 46 46 LYS CE C 13 42.990 0.40 . 1 . . . A 95 LYS CE . 25492 1 484 . 1 1 46 46 LYS N N 15 127.518 0.40 . 1 . . . A 95 LYS N . 25492 1 485 . 1 1 47 47 ASN H H 1 7.986 0.04 . 1 . . . A 96 ASN H . 25492 1 486 . 1 1 47 47 ASN HA H 1 4.052 0.04 . 1 . . . A 96 ASN HA . 25492 1 487 . 1 1 47 47 ASN HB2 H 1 2.685 0.04 . 2 . . . A 96 ASN HB2 . 25492 1 488 . 1 1 47 47 ASN HB3 H 1 2.435 0.04 . 2 . . . A 96 ASN HB3 . 25492 1 489 . 1 1 47 47 ASN C C 13 173.562 0.40 . 1 . . . A 96 ASN C . 25492 1 490 . 1 1 47 47 ASN CA C 13 54.105 0.40 . 1 . . . A 96 ASN CA . 25492 1 491 . 1 1 47 47 ASN CB C 13 39.195 0.40 . 1 . . . A 96 ASN CB . 25492 1 492 . 1 1 47 47 ASN N N 15 119.054 0.40 . 1 . . . A 96 ASN N . 25492 1 493 . 1 1 48 48 ALA H H 1 6.777 0.04 . 1 . . . A 97 ALA H . 25492 1 494 . 1 1 48 48 ALA HA H 1 3.356 0.04 . 1 . . . A 97 ALA HA . 25492 1 495 . 1 1 48 48 ALA HB1 H 1 1.279 0.04 . 1 . . . A 97 ALA HB1 . 25492 1 496 . 1 1 48 48 ALA HB2 H 1 1.279 0.04 . 1 . . . A 97 ALA HB2 . 25492 1 497 . 1 1 48 48 ALA HB3 H 1 1.279 0.04 . 1 . . . A 97 ALA HB3 . 25492 1 498 . 1 1 48 48 ALA CA C 13 54.662 0.40 . 1 . . . A 97 ALA CA . 25492 1 499 . 1 1 48 48 ALA CB C 13 20.741 0.40 . 1 . . . A 97 ALA CB . 25492 1 500 . 1 1 48 48 ALA N N 15 117.654 0.40 . 1 . . . A 97 ALA N . 25492 1 501 . 1 1 49 49 ILE H H 1 8.960 0.04 . 1 . . . A 98 ILE H . 25492 1 502 . 1 1 49 49 ILE HA H 1 3.990 0.04 . 1 . . . A 98 ILE HA . 25492 1 503 . 1 1 49 49 ILE HB H 1 1.115 0.04 . 1 . . . A 98 ILE HB . 25492 1 504 . 1 1 49 49 ILE HG12 H 1 1.979 0.04 . 2 . . . A 98 ILE HG12 . 25492 1 505 . 1 1 49 49 ILE HG13 H 1 1.979 0.04 . 2 . . . A 98 ILE HG13 . 25492 1 506 . 1 1 49 49 ILE HG21 H 1 0.359 0.04 . 1 . . . A 98 ILE HG21 . 25492 1 507 . 1 1 49 49 ILE HG22 H 1 0.359 0.04 . 1 . . . A 98 ILE HG22 . 25492 1 508 . 1 1 49 49 ILE HG23 H 1 0.359 0.04 . 1 . . . A 98 ILE HG23 . 25492 1 509 . 1 1 49 49 ILE HD11 H 1 0.485 0.04 . 1 . . . A 98 ILE HD11 . 25492 1 510 . 1 1 49 49 ILE HD12 H 1 0.485 0.04 . 1 . . . A 98 ILE HD12 . 25492 1 511 . 1 1 49 49 ILE HD13 H 1 0.485 0.04 . 1 . . . A 98 ILE HD13 . 25492 1 512 . 1 1 49 49 ILE C C 13 176.276 0.40 . 1 . . . A 98 ILE C . 25492 1 513 . 1 1 49 49 ILE CA C 13 62.549 0.40 . 1 . . . A 98 ILE CA . 25492 1 514 . 1 1 49 49 ILE CB C 13 42.934 0.40 . 1 . . . A 98 ILE CB . 25492 1 515 . 1 1 49 49 ILE CG1 C 13 29.543 0.40 . 1 . . . A 98 ILE CG1 . 25492 1 516 . 1 1 49 49 ILE CG2 C 13 19.690 0.40 . 1 . . . A 98 ILE CG2 . 25492 1 517 . 1 1 49 49 ILE CD1 C 13 18.000 0.40 . 1 . . . A 98 ILE CD1 . 25492 1 518 . 1 1 49 49 ILE N N 15 125.202 0.40 . 1 . . . A 98 ILE N . 25492 1 519 . 1 1 50 50 LYS H H 1 8.929 0.04 . 1 . . . A 99 LYS H . 25492 1 520 . 1 1 50 50 LYS HA H 1 3.841 0.04 . 1 . . . A 99 LYS HA . 25492 1 521 . 1 1 50 50 LYS HB2 H 1 1.470 0.04 . 2 . . . A 99 LYS HB2 . 25492 1 522 . 1 1 50 50 LYS HB3 H 1 1.140 0.04 . 2 . . . A 99 LYS HB3 . 25492 1 523 . 1 1 50 50 LYS HG2 H 1 1.390 0.04 . 2 . . . A 99 LYS HG2 . 25492 1 524 . 1 1 50 50 LYS HG3 H 1 1.390 0.04 . 2 . . . A 99 LYS HG3 . 25492 1 525 . 1 1 50 50 LYS HD2 H 1 1.216 0.04 . 2 . . . A 99 LYS HD2 . 25492 1 526 . 1 1 50 50 LYS HD3 H 1 1.350 0.04 . 2 . . . A 99 LYS HD3 . 25492 1 527 . 1 1 50 50 LYS HE2 H 1 2.517 0.04 . 2 . . . A 99 LYS HE2 . 25492 1 528 . 1 1 50 50 LYS HE3 H 1 2.517 0.04 . 2 . . . A 99 LYS HE3 . 25492 1 529 . 1 1 50 50 LYS C C 13 175.982 0.40 . 1 . . . A 99 LYS C . 25492 1 530 . 1 1 50 50 LYS CA C 13 57.388 0.40 . 1 . . . A 99 LYS CA . 25492 1 531 . 1 1 50 50 LYS CB C 13 35.213 0.40 . 1 . . . A 99 LYS CB . 25492 1 532 . 1 1 50 50 LYS CG C 13 25.785 0.40 . 1 . . . A 99 LYS CG . 25492 1 533 . 1 1 50 50 LYS CD C 13 30.696 0.40 . 1 . . . A 99 LYS CD . 25492 1 534 . 1 1 50 50 LYS CE C 13 42.812 0.40 . 1 . . . A 99 LYS CE . 25492 1 535 . 1 1 50 50 LYS N N 15 127.266 0.40 . 1 . . . A 99 LYS N . 25492 1 536 . 1 1 51 51 VAL H H 1 7.363 0.04 . 1 . . . A 100 VAL H . 25492 1 537 . 1 1 51 51 VAL HA H 1 4.158 0.04 . 1 . . . A 100 VAL HA . 25492 1 538 . 1 1 51 51 VAL HG11 H 1 0.324 0.04 . 2 . . . A 100 VAL HG11 . 25492 1 539 . 1 1 51 51 VAL HG12 H 1 0.324 0.04 . 2 . . . A 100 VAL HG12 . 25492 1 540 . 1 1 51 51 VAL HG13 H 1 0.324 0.04 . 2 . . . A 100 VAL HG13 . 25492 1 541 . 1 1 51 51 VAL HG21 H 1 0.235 0.04 . 2 . . . A 100 VAL HG21 . 25492 1 542 . 1 1 51 51 VAL HG22 H 1 0.235 0.04 . 2 . . . A 100 VAL HG22 . 25492 1 543 . 1 1 51 51 VAL HG23 H 1 0.235 0.04 . 2 . . . A 100 VAL HG23 . 25492 1 544 . 1 1 51 51 VAL C C 13 174.786 0.40 . 1 . . . A 100 VAL C . 25492 1 545 . 1 1 51 51 VAL CA C 13 61.814 0.40 . 1 . . . A 100 VAL CA . 25492 1 546 . 1 1 51 51 VAL CG1 C 13 21.825 0.40 . 2 . . . A 100 VAL CG1 . 25492 1 547 . 1 1 51 51 VAL CG2 C 13 21.235 0.40 . 2 . . . A 100 VAL CG2 . 25492 1 548 . 1 1 51 51 VAL N N 15 120.680 0.40 . 1 . . . A 100 VAL N . 25492 1 549 . 1 1 52 52 ASN H H 1 8.997 0.04 . 1 . . . A 101 ASN H . 25492 1 550 . 1 1 52 52 ASN HA H 1 5.074 0.04 . 1 . . . A 101 ASN HA . 25492 1 551 . 1 1 52 52 ASN HB2 H 1 2.165 0.04 . 2 . . . A 101 ASN HB2 . 25492 1 552 . 1 1 52 52 ASN HB3 H 1 1.963 0.04 . 2 . . . A 101 ASN HB3 . 25492 1 553 . 1 1 52 52 ASN C C 13 175.753 0.40 . 1 . . . A 101 ASN C . 25492 1 554 . 1 1 52 52 ASN CA C 13 51.448 0.40 . 1 . . . A 101 ASN CA . 25492 1 555 . 1 1 52 52 ASN CB C 13 42.130 0.40 . 1 . . . A 101 ASN CB . 25492 1 556 . 1 1 52 52 ASN N N 15 127.192 0.40 . 1 . . . A 101 ASN N . 25492 1 557 . 1 1 53 53 ASN H H 1 8.255 0.04 . 1 . . . A 102 ASN H . 25492 1 558 . 1 1 53 53 ASN HA H 1 4.561 0.04 . 1 . . . A 102 ASN HA . 25492 1 559 . 1 1 53 53 ASN HB2 H 1 3.507 0.04 . 2 . . . A 102 ASN HB2 . 25492 1 560 . 1 1 53 53 ASN HB3 H 1 2.203 0.04 . 2 . . . A 102 ASN HB3 . 25492 1 561 . 1 1 53 53 ASN C C 13 178.869 0.40 . 1 . . . A 102 ASN C . 25492 1 562 . 1 1 53 53 ASN CA C 13 51.909 0.40 . 1 . . . A 102 ASN CA . 25492 1 563 . 1 1 53 53 ASN CB C 13 40.117 0.40 . 1 . . . A 102 ASN CB . 25492 1 564 . 1 1 53 53 ASN N N 15 118.027 0.40 . 1 . . . A 102 ASN N . 25492 1 565 . 1 1 54 54 VAL H H 1 8.851 0.04 . 1 . . . A 103 VAL H . 25492 1 566 . 1 1 54 54 VAL HA H 1 3.511 0.04 . 1 . . . A 103 VAL HA . 25492 1 567 . 1 1 54 54 VAL HB H 1 1.921 0.04 . 1 . . . A 103 VAL HB . 25492 1 568 . 1 1 54 54 VAL HG11 H 1 0.656 0.04 . 2 . . . A 103 VAL HG11 . 25492 1 569 . 1 1 54 54 VAL HG12 H 1 0.656 0.04 . 2 . . . A 103 VAL HG12 . 25492 1 570 . 1 1 54 54 VAL HG13 H 1 0.656 0.04 . 2 . . . A 103 VAL HG13 . 25492 1 571 . 1 1 54 54 VAL HG21 H 1 0.639 0.04 . 2 . . . A 103 VAL HG21 . 25492 1 572 . 1 1 54 54 VAL HG22 H 1 0.639 0.04 . 2 . . . A 103 VAL HG22 . 25492 1 573 . 1 1 54 54 VAL HG23 H 1 0.639 0.04 . 2 . . . A 103 VAL HG23 . 25492 1 574 . 1 1 54 54 VAL C C 13 176.966 0.40 . 1 . . . A 103 VAL C . 25492 1 575 . 1 1 54 54 VAL CA C 13 65.684 0.40 . 1 . . . A 103 VAL CA . 25492 1 576 . 1 1 54 54 VAL CB C 13 32.615 0.40 . 1 . . . A 103 VAL CB . 25492 1 577 . 1 1 54 54 VAL CG1 C 13 21.746 0.40 . 2 . . . A 103 VAL CG1 . 25492 1 578 . 1 1 54 54 VAL CG2 C 13 20.567 0.40 . 2 . . . A 103 VAL CG2 . 25492 1 579 . 1 1 54 54 VAL N N 15 118.129 0.40 . 1 . . . A 103 VAL N . 25492 1 580 . 1 1 55 55 ASN H H 1 7.146 0.04 . 1 . . . A 104 ASN H . 25492 1 581 . 1 1 55 55 ASN HA H 1 4.495 0.04 . 1 . . . A 104 ASN HA . 25492 1 582 . 1 1 55 55 ASN HB2 H 1 2.639 0.04 . 2 . . . A 104 ASN HB2 . 25492 1 583 . 1 1 55 55 ASN HB3 H 1 2.288 0.04 . 2 . . . A 104 ASN HB3 . 25492 1 584 . 1 1 55 55 ASN C C 13 176.162 0.40 . 1 . . . A 104 ASN C . 25492 1 585 . 1 1 55 55 ASN CA C 13 54.139 0.40 . 1 . . . A 104 ASN CA . 25492 1 586 . 1 1 55 55 ASN CB C 13 40.167 0.40 . 1 . . . A 104 ASN CB . 25492 1 587 . 1 1 55 55 ASN N N 15 117.864 0.40 . 1 . . . A 104 ASN N . 25492 1 588 . 1 1 56 56 GLY H H 1 7.867 0.04 . 1 . . . A 105 GLY H . 25492 1 589 . 1 1 56 56 GLY HA2 H 1 3.921 0.04 . 2 . . . A 105 GLY HA2 . 25492 1 590 . 1 1 56 56 GLY HA3 H 1 3.148 0.04 . 2 . . . A 105 GLY HA3 . 25492 1 591 . 1 1 56 56 GLY C C 13 174.349 0.40 . 1 . . . A 105 GLY C . 25492 1 592 . 1 1 56 56 GLY CA C 13 46.019 0.40 . 1 . . . A 105 GLY CA . 25492 1 593 . 1 1 56 56 GLY N N 15 108.029 0.40 . 1 . . . A 105 GLY N . 25492 1 594 . 1 1 57 57 ASN H H 1 7.658 0.04 . 1 . . . A 106 ASN H . 25492 1 595 . 1 1 57 57 ASN HA H 1 4.462 0.04 . 1 . . . A 106 ASN HA . 25492 1 596 . 1 1 57 57 ASN HB2 H 1 2.433 0.04 . 2 . . . A 106 ASN HB2 . 25492 1 597 . 1 1 57 57 ASN HB3 H 1 2.213 0.04 . 2 . . . A 106 ASN HB3 . 25492 1 598 . 1 1 57 57 ASN C C 13 175.720 0.40 . 1 . . . A 106 ASN C . 25492 1 599 . 1 1 57 57 ASN CA C 13 53.233 0.40 . 1 . . . A 106 ASN CA . 25492 1 600 . 1 1 57 57 ASN CB C 13 40.755 0.40 . 1 . . . A 106 ASN CB . 25492 1 601 . 1 1 57 57 ASN N N 15 119.971 0.40 . 1 . . . A 106 ASN N . 25492 1 602 . 1 1 58 58 GLN H H 1 8.649 0.04 . 1 . . . A 107 GLN H . 25492 1 603 . 1 1 58 58 GLN HA H 1 4.348 0.04 . 1 . . . A 107 GLN HA . 25492 1 604 . 1 1 58 58 GLN C C 13 176.582 0.40 . 1 . . . A 107 GLN C . 25492 1 605 . 1 1 58 58 GLN CA C 13 59.013 0.40 . 1 . . . A 107 GLN CA . 25492 1 606 . 1 1 58 58 GLN N N 15 127.295 0.40 . 1 . . . A 107 GLN N . 25492 1 607 . 1 1 59 59 VAL H H 1 9.197 0.04 . 1 . . . A 108 VAL H . 25492 1 608 . 1 1 59 59 VAL HA H 1 3.583 0.04 . 1 . . . A 108 VAL HA . 25492 1 609 . 1 1 59 59 VAL HB H 1 1.223 0.04 . 1 . . . A 108 VAL HB . 25492 1 610 . 1 1 59 59 VAL HG11 H 1 0.421 0.04 . 2 . . . A 108 VAL HG11 . 25492 1 611 . 1 1 59 59 VAL HG12 H 1 0.421 0.04 . 2 . . . A 108 VAL HG12 . 25492 1 612 . 1 1 59 59 VAL HG13 H 1 0.421 0.04 . 2 . . . A 108 VAL HG13 . 25492 1 613 . 1 1 59 59 VAL HG21 H 1 0.322 0.04 . 2 . . . A 108 VAL HG21 . 25492 1 614 . 1 1 59 59 VAL HG22 H 1 0.322 0.04 . 2 . . . A 108 VAL HG22 . 25492 1 615 . 1 1 59 59 VAL HG23 H 1 0.322 0.04 . 2 . . . A 108 VAL HG23 . 25492 1 616 . 1 1 59 59 VAL C C 13 175.869 0.40 . 1 . . . A 108 VAL C . 25492 1 617 . 1 1 59 59 VAL CA C 13 63.154 0.40 . 1 . . . A 108 VAL CA . 25492 1 618 . 1 1 59 59 VAL CB C 13 35.043 0.40 . 1 . . . A 108 VAL CB . 25492 1 619 . 1 1 59 59 VAL CG1 C 13 21.944 0.40 . 2 . . . A 108 VAL CG1 . 25492 1 620 . 1 1 59 59 VAL CG2 C 13 22.169 0.40 . 2 . . . A 108 VAL CG2 . 25492 1 621 . 1 1 59 59 VAL N N 15 126.515 0.40 . 1 . . . A 108 VAL N . 25492 1 622 . 1 1 60 60 GLY H H 1 6.612 0.04 . 1 . . . A 109 GLY H . 25492 1 623 . 1 1 60 60 GLY HA2 H 1 3.778 0.04 . 2 . . . A 109 GLY HA2 . 25492 1 624 . 1 1 60 60 GLY HA3 H 1 3.723 0.04 . 2 . . . A 109 GLY HA3 . 25492 1 625 . 1 1 60 60 GLY C C 13 173.935 0.40 . 1 . . . A 109 GLY C . 25492 1 626 . 1 1 60 60 GLY CA C 13 46.807 0.40 . 1 . . . A 109 GLY CA . 25492 1 627 . 1 1 60 60 GLY N N 15 101.297 0.40 . 1 . . . A 109 GLY N . 25492 1 628 . 1 1 61 61 HIS H H 1 8.994 0.04 . 1 . . . A 110 HIS H . 25492 1 629 . 1 1 61 61 HIS HA H 1 5.064 0.04 . 1 . . . A 110 HIS HA . 25492 1 630 . 1 1 61 61 HIS HB2 H 1 3.454 0.04 . 2 . . . A 110 HIS HB2 . 25492 1 631 . 1 1 61 61 HIS HB3 H 1 3.454 0.04 . 2 . . . A 110 HIS HB3 . 25492 1 632 . 1 1 61 61 HIS C C 13 175.634 0.40 . 1 . . . A 110 HIS C . 25492 1 633 . 1 1 61 61 HIS CA C 13 58.135 0.40 . 1 . . . A 110 HIS CA . 25492 1 634 . 1 1 61 61 HIS CB C 13 34.416 0.40 . 1 . . . A 110 HIS CB . 25492 1 635 . 1 1 61 61 HIS N N 15 124.572 0.40 . 1 . . . A 110 HIS N . 25492 1 636 . 1 1 62 62 LEU H H 1 8.254 0.04 . 1 . . . A 111 LEU H . 25492 1 637 . 1 1 62 62 LEU HA H 1 3.913 0.04 . 1 . . . A 111 LEU HA . 25492 1 638 . 1 1 62 62 LEU HB2 H 1 1.091 0.04 . 2 . . . A 111 LEU HB2 . 25492 1 639 . 1 1 62 62 LEU HB3 H 1 1.036 0.04 . 2 . . . A 111 LEU HB3 . 25492 1 640 . 1 1 62 62 LEU HG H 1 0.933 0.04 . 1 . . . A 111 LEU HG . 25492 1 641 . 1 1 62 62 LEU HD11 H 1 -0.032 0.04 . 2 . . . A 111 LEU HD11 . 25492 1 642 . 1 1 62 62 LEU HD12 H 1 -0.032 0.04 . 2 . . . A 111 LEU HD12 . 25492 1 643 . 1 1 62 62 LEU HD13 H 1 -0.032 0.04 . 2 . . . A 111 LEU HD13 . 25492 1 644 . 1 1 62 62 LEU HD21 H 1 -0.169 0.04 . 2 . . . A 111 LEU HD21 . 25492 1 645 . 1 1 62 62 LEU HD22 H 1 -0.169 0.04 . 2 . . . A 111 LEU HD22 . 25492 1 646 . 1 1 62 62 LEU HD23 H 1 -0.169 0.04 . 2 . . . A 111 LEU HD23 . 25492 1 647 . 1 1 62 62 LEU C C 13 177.827 0.40 . 1 . . . A 111 LEU C . 25492 1 648 . 1 1 62 62 LEU CA C 13 56.961 0.40 . 1 . . . A 111 LEU CA . 25492 1 649 . 1 1 62 62 LEU CB C 13 44.168 0.40 . 1 . . . A 111 LEU CB . 25492 1 650 . 1 1 62 62 LEU CG C 13 27.527 0.40 . 1 . . . A 111 LEU CG . 25492 1 651 . 1 1 62 62 LEU CD1 C 13 25.771 0.40 . 2 . . . A 111 LEU CD1 . 25492 1 652 . 1 1 62 62 LEU CD2 C 13 24.548 0.40 . 2 . . . A 111 LEU CD2 . 25492 1 653 . 1 1 62 62 LEU N N 15 120.339 0.40 . 1 . . . A 111 LEU N . 25492 1 654 . 1 1 63 63 LYS H H 1 7.769 0.04 . 1 . . . A 112 LYS H . 25492 1 655 . 1 1 63 63 LYS HA H 1 3.965 0.04 . 1 . . . A 112 LYS HA . 25492 1 656 . 1 1 63 63 LYS HB2 H 1 1.785 0.04 . 2 . . . A 112 LYS HB2 . 25492 1 657 . 1 1 63 63 LYS HB3 H 1 1.541 0.04 . 2 . . . A 112 LYS HB3 . 25492 1 658 . 1 1 63 63 LYS HG2 H 1 1.502 0.04 . 2 . . . A 112 LYS HG2 . 25492 1 659 . 1 1 63 63 LYS HG3 H 1 1.595 0.04 . 2 . . . A 112 LYS HG3 . 25492 1 660 . 1 1 63 63 LYS HD2 H 1 1.508 0.04 . 2 . . . A 112 LYS HD2 . 25492 1 661 . 1 1 63 63 LYS HD3 H 1 1.587 0.04 . 2 . . . A 112 LYS HD3 . 25492 1 662 . 1 1 63 63 LYS HE2 H 1 2.775 0.04 . 2 . . . A 112 LYS HE2 . 25492 1 663 . 1 1 63 63 LYS HE3 H 1 2.815 0.04 . 2 . . . A 112 LYS HE3 . 25492 1 664 . 1 1 63 63 LYS C C 13 177.859 0.40 . 1 . . . A 112 LYS C . 25492 1 665 . 1 1 63 63 LYS CA C 13 58.483 0.40 . 1 . . . A 112 LYS CA . 25492 1 666 . 1 1 63 63 LYS CB C 13 35.050 0.40 . 1 . . . A 112 LYS CB . 25492 1 667 . 1 1 63 63 LYS CG C 13 26.342 0.40 . 1 . . . A 112 LYS CG . 25492 1 668 . 1 1 63 63 LYS CD C 13 31.152 0.40 . 1 . . . A 112 LYS CD . 25492 1 669 . 1 1 63 63 LYS CE C 13 42.938 0.40 . 1 . . . A 112 LYS CE . 25492 1 670 . 1 1 63 63 LYS N N 15 123.707 0.40 . 1 . . . A 112 LYS N . 25492 1 671 . 1 1 64 64 LYS H H 1 9.618 0.04 . 1 . . . A 113 LYS H . 25492 1 672 . 1 1 64 64 LYS HA H 1 3.652 0.04 . 1 . . . A 113 LYS HA . 25492 1 673 . 1 1 64 64 LYS HB2 H 1 1.470 0.04 . 2 . . . A 113 LYS HB2 . 25492 1 674 . 1 1 64 64 LYS HB3 H 1 1.566 0.04 . 2 . . . A 113 LYS HB3 . 25492 1 675 . 1 1 64 64 LYS HG2 H 1 1.304 0.04 . 2 . . . A 113 LYS HG2 . 25492 1 676 . 1 1 64 64 LYS HG3 H 1 1.049 0.04 . 2 . . . A 113 LYS HG3 . 25492 1 677 . 1 1 64 64 LYS HD2 H 1 1.444 0.04 . 2 . . . A 113 LYS HD2 . 25492 1 678 . 1 1 64 64 LYS HD3 H 1 1.555 0.04 . 2 . . . A 113 LYS HD3 . 25492 1 679 . 1 1 64 64 LYS HE2 H 1 2.775 0.04 . 2 . . . A 113 LYS HE2 . 25492 1 680 . 1 1 64 64 LYS HE3 H 1 2.699 0.04 . 2 . . . A 113 LYS HE3 . 25492 1 681 . 1 1 64 64 LYS C C 13 179.448 0.40 . 1 . . . A 113 LYS C . 25492 1 682 . 1 1 64 64 LYS CA C 13 62.054 0.40 . 1 . . . A 113 LYS CA . 25492 1 683 . 1 1 64 64 LYS CB C 13 32.900 0.40 . 1 . . . A 113 LYS CB . 25492 1 684 . 1 1 64 64 LYS CG C 13 24.966 0.40 . 1 . . . A 113 LYS CG . 25492 1 685 . 1 1 64 64 LYS CD C 13 30.618 0.40 . 1 . . . A 113 LYS CD . 25492 1 686 . 1 1 64 64 LYS CE C 13 43.171 0.40 . 1 . . . A 113 LYS CE . 25492 1 687 . 1 1 64 64 LYS N N 15 128.398 0.40 . 1 . . . A 113 LYS N . 25492 1 688 . 1 1 65 65 GLU H H 1 9.504 0.04 . 1 . . . A 114 GLU H . 25492 1 689 . 1 1 65 65 GLU HA H 1 3.895 0.04 . 1 . . . A 114 GLU HA . 25492 1 690 . 1 1 65 65 GLU HB2 H 1 1.960 0.04 . 2 . . . A 114 GLU HB2 . 25492 1 691 . 1 1 65 65 GLU HB3 H 1 1.933 0.04 . 2 . . . A 114 GLU HB3 . 25492 1 692 . 1 1 65 65 GLU HG2 H 1 2.394 0.04 . 2 . . . A 114 GLU HG2 . 25492 1 693 . 1 1 65 65 GLU HG3 H 1 2.128 0.04 . 2 . . . A 114 GLU HG3 . 25492 1 694 . 1 1 65 65 GLU C C 13 179.646 0.40 . 1 . . . A 114 GLU C . 25492 1 695 . 1 1 65 65 GLU CA C 13 61.868 0.40 . 1 . . . A 114 GLU CA . 25492 1 696 . 1 1 65 65 GLU CB C 13 29.505 0.40 . 1 . . . A 114 GLU CB . 25492 1 697 . 1 1 65 65 GLU CG C 13 38.292 0.40 . 1 . . . A 114 GLU CG . 25492 1 698 . 1 1 65 65 GLU N N 15 122.800 0.40 . 1 . . . A 114 GLU N . 25492 1 699 . 1 1 66 66 LEU H H 1 6.999 0.04 . 1 . . . A 115 LEU H . 25492 1 700 . 1 1 66 66 LEU HA H 1 3.840 0.04 . 1 . . . A 115 LEU HA . 25492 1 701 . 1 1 66 66 LEU HB2 H 1 1.348 0.04 . 2 . . . A 115 LEU HB2 . 25492 1 702 . 1 1 66 66 LEU HB3 H 1 1.471 0.04 . 2 . . . A 115 LEU HB3 . 25492 1 703 . 1 1 66 66 LEU HG H 1 0.505 0.04 . 1 . . . A 115 LEU HG . 25492 1 704 . 1 1 66 66 LEU HD11 H 1 0.095 0.04 . 2 . . . A 115 LEU HD11 . 25492 1 705 . 1 1 66 66 LEU HD12 H 1 0.095 0.04 . 2 . . . A 115 LEU HD12 . 25492 1 706 . 1 1 66 66 LEU HD13 H 1 0.095 0.04 . 2 . . . A 115 LEU HD13 . 25492 1 707 . 1 1 66 66 LEU HD21 H 1 0.094 0.04 . 2 . . . A 115 LEU HD21 . 25492 1 708 . 1 1 66 66 LEU HD22 H 1 0.094 0.04 . 2 . . . A 115 LEU HD22 . 25492 1 709 . 1 1 66 66 LEU HD23 H 1 0.094 0.04 . 2 . . . A 115 LEU HD23 . 25492 1 710 . 1 1 66 66 LEU C C 13 180.220 0.40 . 1 . . . A 115 LEU C . 25492 1 711 . 1 1 66 66 LEU CA C 13 57.391 0.40 . 1 . . . A 115 LEU CA . 25492 1 712 . 1 1 66 66 LEU CB C 13 42.800 0.40 . 1 . . . A 115 LEU CB . 25492 1 713 . 1 1 66 66 LEU CG C 13 27.275 0.40 . 1 . . . A 115 LEU CG . 25492 1 714 . 1 1 66 66 LEU CD1 C 13 23.938 0.40 . 2 . . . A 115 LEU CD1 . 25492 1 715 . 1 1 66 66 LEU CD2 C 13 23.922 0.40 . 2 . . . A 115 LEU CD2 . 25492 1 716 . 1 1 66 66 LEU N N 15 120.459 0.40 . 1 . . . A 115 LEU N . 25492 1 717 . 1 1 67 67 ALA H H 1 8.268 0.04 . 1 . . . A 116 ALA H . 25492 1 718 . 1 1 67 67 ALA HA H 1 3.564 0.04 . 1 . . . A 116 ALA HA . 25492 1 719 . 1 1 67 67 ALA HB1 H 1 1.142 0.04 . 1 . . . A 116 ALA HB1 . 25492 1 720 . 1 1 67 67 ALA HB2 H 1 1.142 0.04 . 1 . . . A 116 ALA HB2 . 25492 1 721 . 1 1 67 67 ALA HB3 H 1 1.142 0.04 . 1 . . . A 116 ALA HB3 . 25492 1 722 . 1 1 67 67 ALA C C 13 179.793 0.40 . 1 . . . A 116 ALA C . 25492 1 723 . 1 1 67 67 ALA CA C 13 56.887 0.40 . 1 . . . A 116 ALA CA . 25492 1 724 . 1 1 67 67 ALA CB C 13 18.256 0.40 . 1 . . . A 116 ALA CB . 25492 1 725 . 1 1 67 67 ALA N N 15 124.933 0.40 . 1 . . . A 116 ALA N . 25492 1 726 . 1 1 68 68 GLY H H 1 7.850 0.04 . 1 . . . A 117 GLY H . 25492 1 727 . 1 1 68 68 GLY HA2 H 1 3.405 0.04 . 2 . . . A 117 GLY HA2 . 25492 1 728 . 1 1 68 68 GLY HA3 H 1 3.307 0.04 . 2 . . . A 117 GLY HA3 . 25492 1 729 . 1 1 68 68 GLY C C 13 179.378 0.40 . 1 . . . A 117 GLY C . 25492 1 730 . 1 1 68 68 GLY CA C 13 47.648 0.40 . 1 . . . A 117 GLY CA . 25492 1 731 . 1 1 68 68 GLY N N 15 102.618 0.40 . 1 . . . A 117 GLY N . 25492 1 732 . 1 1 69 69 ALA H H 1 6.711 0.04 . 1 . . . A 118 ALA H . 25492 1 733 . 1 1 69 69 ALA HA H 1 3.347 0.04 . 1 . . . A 118 ALA HA . 25492 1 734 . 1 1 69 69 ALA HB1 H 1 1.026 0.04 . 1 . . . A 118 ALA HB1 . 25492 1 735 . 1 1 69 69 ALA HB2 H 1 1.026 0.04 . 1 . . . A 118 ALA HB2 . 25492 1 736 . 1 1 69 69 ALA HB3 H 1 1.026 0.04 . 1 . . . A 118 ALA HB3 . 25492 1 737 . 1 1 69 69 ALA C C 13 175.710 0.40 . 1 . . . A 118 ALA C . 25492 1 738 . 1 1 69 69 ALA CA C 13 53.830 0.40 . 1 . . . A 118 ALA CA . 25492 1 739 . 1 1 69 69 ALA CB C 13 21.351 0.40 . 1 . . . A 118 ALA CB . 25492 1 740 . 1 1 69 69 ALA N N 15 121.834 0.40 . 1 . . . A 118 ALA N . 25492 1 741 . 1 1 70 70 LEU H H 1 7.751 0.04 . 1 . . . A 119 LEU H . 25492 1 742 . 1 1 70 70 LEU HA H 1 3.689 0.04 . 1 . . . A 119 LEU HA . 25492 1 743 . 1 1 70 70 LEU HB2 H 1 1.109 0.04 . 2 . . . A 119 LEU HB2 . 25492 1 744 . 1 1 70 70 LEU HB3 H 1 0.993 0.04 . 2 . . . A 119 LEU HB3 . 25492 1 745 . 1 1 70 70 LEU HG H 1 1.394 0.04 . 1 . . . A 119 LEU HG . 25492 1 746 . 1 1 70 70 LEU HD11 H 1 0.397 0.04 . 2 . . . A 119 LEU HD11 . 25492 1 747 . 1 1 70 70 LEU HD12 H 1 0.397 0.04 . 2 . . . A 119 LEU HD12 . 25492 1 748 . 1 1 70 70 LEU HD13 H 1 0.397 0.04 . 2 . . . A 119 LEU HD13 . 25492 1 749 . 1 1 70 70 LEU HD21 H 1 0.427 0.04 . 2 . . . A 119 LEU HD21 . 25492 1 750 . 1 1 70 70 LEU HD22 H 1 0.427 0.04 . 2 . . . A 119 LEU HD22 . 25492 1 751 . 1 1 70 70 LEU HD23 H 1 0.427 0.04 . 2 . . . A 119 LEU HD23 . 25492 1 752 . 1 1 70 70 LEU C C 13 179.403 0.40 . 1 . . . A 119 LEU C . 25492 1 753 . 1 1 70 70 LEU CA C 13 57.867 0.40 . 1 . . . A 119 LEU CA . 25492 1 754 . 1 1 70 70 LEU CB C 13 43.403 0.40 . 1 . . . A 119 LEU CB . 25492 1 755 . 1 1 70 70 LEU CG C 13 29.141 0.40 . 1 . . . A 119 LEU CG . 25492 1 756 . 1 1 70 70 LEU CD1 C 13 25.838 0.40 . 2 . . . A 119 LEU CD1 . 25492 1 757 . 1 1 70 70 LEU CD2 C 13 25.644 0.40 . 2 . . . A 119 LEU CD2 . 25492 1 758 . 1 1 70 70 LEU N N 15 115.513 0.40 . 1 . . . A 119 LEU N . 25492 1 759 . 1 1 71 71 ALA H H 1 8.677 0.04 . 1 . . . A 120 ALA H . 25492 1 760 . 1 1 71 71 ALA HA H 1 3.396 0.04 . 1 . . . A 120 ALA HA . 25492 1 761 . 1 1 71 71 ALA HB1 H 1 1.166 0.04 . 1 . . . A 120 ALA HB1 . 25492 1 762 . 1 1 71 71 ALA HB2 H 1 1.166 0.04 . 1 . . . A 120 ALA HB2 . 25492 1 763 . 1 1 71 71 ALA HB3 H 1 1.166 0.04 . 1 . . . A 120 ALA HB3 . 25492 1 764 . 1 1 71 71 ALA C C 13 180.028 0.40 . 1 . . . A 120 ALA C . 25492 1 765 . 1 1 71 71 ALA CA C 13 58.470 0.40 . 1 . . . A 120 ALA CA . 25492 1 766 . 1 1 71 71 ALA CB C 13 17.311 0.40 . 1 . . . A 120 ALA CB . 25492 1 767 . 1 1 71 71 ALA N N 15 126.169 0.40 . 1 . . . A 120 ALA N . 25492 1 768 . 1 1 72 72 TYR H H 1 7.814 0.04 . 1 . . . A 121 TYR H . 25492 1 769 . 1 1 72 72 TYR HA H 1 3.804 0.04 . 1 . . . A 121 TYR HA . 25492 1 770 . 1 1 72 72 TYR HB2 H 1 2.967 0.04 . 2 . . . A 121 TYR HB2 . 25492 1 771 . 1 1 72 72 TYR HB3 H 1 2.308 0.04 . 2 . . . A 121 TYR HB3 . 25492 1 772 . 1 1 72 72 TYR C C 13 179.190 0.40 . 1 . . . A 121 TYR C . 25492 1 773 . 1 1 72 72 TYR CA C 13 62.446 0.40 . 1 . . . A 121 TYR CA . 25492 1 774 . 1 1 72 72 TYR CB C 13 41.175 0.40 . 1 . . . A 121 TYR CB . 25492 1 775 . 1 1 72 72 TYR N N 15 117.202 0.40 . 1 . . . A 121 TYR N . 25492 1 776 . 1 1 73 73 ILE H H 1 6.700 0.04 . 1 . . . A 122 ILE H . 25492 1 777 . 1 1 73 73 ILE HA H 1 3.221 0.04 . 1 . . . A 122 ILE HA . 25492 1 778 . 1 1 73 73 ILE HB H 1 1.959 0.04 . 1 . . . A 122 ILE HB . 25492 1 779 . 1 1 73 73 ILE HG12 H 1 1.651 0.04 . 2 . . . A 122 ILE HG12 . 25492 1 780 . 1 1 73 73 ILE HG13 H 1 0.913 0.04 . 2 . . . A 122 ILE HG13 . 25492 1 781 . 1 1 73 73 ILE HG21 H 1 0.714 0.04 . 1 . . . A 122 ILE HG21 . 25492 1 782 . 1 1 73 73 ILE HG22 H 1 0.714 0.04 . 1 . . . A 122 ILE HG22 . 25492 1 783 . 1 1 73 73 ILE HG23 H 1 0.714 0.04 . 1 . . . A 122 ILE HG23 . 25492 1 784 . 1 1 73 73 ILE HD11 H 1 0.742 0.04 . 1 . . . A 122 ILE HD11 . 25492 1 785 . 1 1 73 73 ILE HD12 H 1 0.742 0.04 . 1 . . . A 122 ILE HD12 . 25492 1 786 . 1 1 73 73 ILE HD13 H 1 0.742 0.04 . 1 . . . A 122 ILE HD13 . 25492 1 787 . 1 1 73 73 ILE C C 13 179.567 0.40 . 1 . . . A 122 ILE C . 25492 1 788 . 1 1 73 73 ILE CA C 13 65.709 0.40 . 1 . . . A 122 ILE CA . 25492 1 789 . 1 1 73 73 ILE CB C 13 39.364 0.40 . 1 . . . A 122 ILE CB . 25492 1 790 . 1 1 73 73 ILE CG1 C 13 30.924 0.40 . 1 . . . A 122 ILE CG1 . 25492 1 791 . 1 1 73 73 ILE CG2 C 13 19.590 0.40 . 1 . . . A 122 ILE CG2 . 25492 1 792 . 1 1 73 73 ILE CD1 C 13 15.225 0.40 . 1 . . . A 122 ILE CD1 . 25492 1 793 . 1 1 73 73 ILE N N 15 118.376 0.40 . 1 . . . A 122 ILE N . 25492 1 794 . 1 1 74 74 MET H H 1 7.875 0.04 . 1 . . . A 123 MET H . 25492 1 795 . 1 1 74 74 MET HA H 1 3.930 0.04 . 1 . . . A 123 MET HA . 25492 1 796 . 1 1 74 74 MET HE1 H 1 1.674 0.04 . 1 . . . A 123 MET HE1 . 25492 1 797 . 1 1 74 74 MET HE2 H 1 1.674 0.04 . 1 . . . A 123 MET HE2 . 25492 1 798 . 1 1 74 74 MET HE3 H 1 1.674 0.04 . 1 . . . A 123 MET HE3 . 25492 1 799 . 1 1 74 74 MET CA C 13 60.578 0.40 . 1 . . . A 123 MET CA . 25492 1 800 . 1 1 74 74 MET CE C 13 17.749 0.40 . 1 . . . A 123 MET CE . 25492 1 801 . 1 1 74 74 MET N N 15 118.715 0.40 . 1 . . . A 123 MET N . 25492 1 802 . 1 1 75 75 ASP H H 1 8.982 0.04 . 1 . . . A 124 ASP H . 25492 1 803 . 1 1 75 75 ASP HA H 1 4.024 0.04 . 1 . . . A 124 ASP HA . 25492 1 804 . 1 1 75 75 ASP HB2 H 1 2.204 0.04 . 2 . . . A 124 ASP HB2 . 25492 1 805 . 1 1 75 75 ASP HB3 H 1 2.313 0.04 . 2 . . . A 124 ASP HB3 . 25492 1 806 . 1 1 75 75 ASP C C 13 178.465 0.40 . 1 . . . A 124 ASP C . 25492 1 807 . 1 1 75 75 ASP CA C 13 58.125 0.40 . 1 . . . A 124 ASP CA . 25492 1 808 . 1 1 75 75 ASP CB C 13 40.239 0.40 . 1 . . . A 124 ASP CB . 25492 1 809 . 1 1 75 75 ASP N N 15 122.640 0.40 . 1 . . . A 124 ASP N . 25492 1 810 . 1 1 76 76 ASN H H 1 6.852 0.04 . 1 . . . A 125 ASN H . 25492 1 811 . 1 1 76 76 ASN HA H 1 4.355 0.04 . 1 . . . A 125 ASN HA . 25492 1 812 . 1 1 76 76 ASN HB2 H 1 2.296 0.04 . 2 . . . A 125 ASN HB2 . 25492 1 813 . 1 1 76 76 ASN HB3 H 1 1.718 0.04 . 2 . . . A 125 ASN HB3 . 25492 1 814 . 1 1 76 76 ASN C C 13 178.251 0.40 . 1 . . . A 125 ASN C . 25492 1 815 . 1 1 76 76 ASN CA C 13 54.217 0.40 . 1 . . . A 125 ASN CA . 25492 1 816 . 1 1 76 76 ASN CB C 13 39.514 0.40 . 1 . . . A 125 ASN CB . 25492 1 817 . 1 1 76 76 ASN N N 15 114.175 0.40 . 1 . . . A 125 ASN N . 25492 1 818 . 1 1 77 77 LYS H H 1 7.470 0.04 . 1 . . . A 126 LYS H . 25492 1 819 . 1 1 77 77 LYS HA H 1 3.637 0.04 . 1 . . . A 126 LYS HA . 25492 1 820 . 1 1 77 77 LYS HB2 H 1 1.424 0.04 . 2 . . . A 126 LYS HB2 . 25492 1 821 . 1 1 77 77 LYS HB3 H 1 1.341 0.04 . 2 . . . A 126 LYS HB3 . 25492 1 822 . 1 1 77 77 LYS HG2 H 1 1.042 0.04 . 2 . . . A 126 LYS HG2 . 25492 1 823 . 1 1 77 77 LYS HG3 H 1 1.042 0.04 . 2 . . . A 126 LYS HG3 . 25492 1 824 . 1 1 77 77 LYS HD2 H 1 1.607 0.04 . 2 . . . A 126 LYS HD2 . 25492 1 825 . 1 1 77 77 LYS HD3 H 1 1.607 0.04 . 2 . . . A 126 LYS HD3 . 25492 1 826 . 1 1 77 77 LYS HE2 H 1 2.698 0.04 . 2 . . . A 126 LYS HE2 . 25492 1 827 . 1 1 77 77 LYS HE3 H 1 2.698 0.04 . 2 . . . A 126 LYS HE3 . 25492 1 828 . 1 1 77 77 LYS C C 13 173.105 0.40 . 1 . . . A 126 LYS C . 25492 1 829 . 1 1 77 77 LYS CA C 13 58.019 0.40 . 1 . . . A 126 LYS CA . 25492 1 830 . 1 1 77 77 LYS CB C 13 29.937 0.40 . 1 . . . A 126 LYS CB . 25492 1 831 . 1 1 77 77 LYS CG C 13 25.828 0.40 . 1 . . . A 126 LYS CG . 25492 1 832 . 1 1 77 77 LYS CD C 13 29.849 0.40 . 1 . . . A 126 LYS CD . 25492 1 833 . 1 1 77 77 LYS CE C 13 43.118 0.40 . 1 . . . A 126 LYS CE . 25492 1 834 . 1 1 77 77 LYS N N 15 117.400 0.40 . 1 . . . A 126 LYS N . 25492 1 835 . 1 1 78 78 LEU H H 1 8.129 0.04 . 1 . . . A 127 LEU H . 25492 1 836 . 1 1 78 78 LEU HA H 1 3.888 0.04 . 1 . . . A 127 LEU HA . 25492 1 837 . 1 1 78 78 LEU HB2 H 1 1.340 0.04 . 2 . . . A 127 LEU HB2 . 25492 1 838 . 1 1 78 78 LEU HB3 H 1 1.199 0.04 . 2 . . . A 127 LEU HB3 . 25492 1 839 . 1 1 78 78 LEU HG H 1 1.080 0.04 . 1 . . . A 127 LEU HG . 25492 1 840 . 1 1 78 78 LEU HD11 H 1 0.551 0.04 . 2 . . . A 127 LEU HD11 . 25492 1 841 . 1 1 78 78 LEU HD12 H 1 0.551 0.04 . 2 . . . A 127 LEU HD12 . 25492 1 842 . 1 1 78 78 LEU HD13 H 1 0.551 0.04 . 2 . . . A 127 LEU HD13 . 25492 1 843 . 1 1 78 78 LEU HD21 H 1 0.474 0.04 . 2 . . . A 127 LEU HD21 . 25492 1 844 . 1 1 78 78 LEU HD22 H 1 0.474 0.04 . 2 . . . A 127 LEU HD22 . 25492 1 845 . 1 1 78 78 LEU HD23 H 1 0.474 0.04 . 2 . . . A 127 LEU HD23 . 25492 1 846 . 1 1 78 78 LEU C C 13 177.241 0.40 . 1 . . . A 127 LEU C . 25492 1 847 . 1 1 78 78 LEU CA C 13 57.037 0.40 . 1 . . . A 127 LEU CA . 25492 1 848 . 1 1 78 78 LEU CB C 13 44.944 0.40 . 1 . . . A 127 LEU CB . 25492 1 849 . 1 1 78 78 LEU CG C 13 28.007 0.40 . 1 . . . A 127 LEU CG . 25492 1 850 . 1 1 78 78 LEU CD1 C 13 26.873 0.40 . 2 . . . A 127 LEU CD1 . 25492 1 851 . 1 1 78 78 LEU CD2 C 13 22.841 0.40 . 2 . . . A 127 LEU CD2 . 25492 1 852 . 1 1 78 78 LEU N N 15 116.607 0.40 . 1 . . . A 127 LEU N . 25492 1 853 . 1 1 79 79 ALA H H 1 6.989 0.04 . 1 . . . A 128 ALA H . 25492 1 854 . 1 1 79 79 ALA HA H 1 4.556 0.04 . 1 . . . A 128 ALA HA . 25492 1 855 . 1 1 79 79 ALA HB1 H 1 1.084 0.04 . 1 . . . A 128 ALA HB1 . 25492 1 856 . 1 1 79 79 ALA HB2 H 1 1.084 0.04 . 1 . . . A 128 ALA HB2 . 25492 1 857 . 1 1 79 79 ALA HB3 H 1 1.084 0.04 . 1 . . . A 128 ALA HB3 . 25492 1 858 . 1 1 79 79 ALA C C 13 177.739 0.40 . 1 . . . A 128 ALA C . 25492 1 859 . 1 1 79 79 ALA CA C 13 51.924 0.40 . 1 . . . A 128 ALA CA . 25492 1 860 . 1 1 79 79 ALA CB C 13 23.349 0.40 . 1 . . . A 128 ALA CB . 25492 1 861 . 1 1 79 79 ALA N N 15 116.230 0.40 . 1 . . . A 128 ALA N . 25492 1 862 . 1 1 80 80 GLN H H 1 9.297 0.04 . 1 . . . A 129 GLN H . 25492 1 863 . 1 1 80 80 GLN HA H 1 4.193 0.04 . 1 . . . A 129 GLN HA . 25492 1 864 . 1 1 80 80 GLN HB2 H 1 1.705 0.04 . 2 . . . A 129 GLN HB2 . 25492 1 865 . 1 1 80 80 GLN HB3 H 1 1.589 0.04 . 2 . . . A 129 GLN HB3 . 25492 1 866 . 1 1 80 80 GLN HG2 H 1 1.988 0.04 . 2 . . . A 129 GLN HG2 . 25492 1 867 . 1 1 80 80 GLN HG3 H 1 1.946 0.04 . 2 . . . A 129 GLN HG3 . 25492 1 868 . 1 1 80 80 GLN C C 13 176.405 0.40 . 1 . . . A 129 GLN C . 25492 1 869 . 1 1 80 80 GLN CA C 13 56.131 0.40 . 1 . . . A 129 GLN CA . 25492 1 870 . 1 1 80 80 GLN CB C 13 31.112 0.40 . 1 . . . A 129 GLN CB . 25492 1 871 . 1 1 80 80 GLN CG C 13 34.963 0.40 . 1 . . . A 129 GLN CG . 25492 1 872 . 1 1 80 80 GLN N N 15 122.261 0.40 . 1 . . . A 129 GLN N . 25492 1 873 . 1 1 81 81 ILE H H 1 8.241 0.04 . 1 . . . A 130 ILE H . 25492 1 874 . 1 1 81 81 ILE HA H 1 4.389 0.04 . 1 . . . A 130 ILE HA . 25492 1 875 . 1 1 81 81 ILE HB H 1 1.090 0.04 . 1 . . . A 130 ILE HB . 25492 1 876 . 1 1 81 81 ILE HG12 H 1 -0.165 0.04 . 2 . . . A 130 ILE HG12 . 25492 1 877 . 1 1 81 81 ILE HG13 H 1 0.934 0.04 . 2 . . . A 130 ILE HG13 . 25492 1 878 . 1 1 81 81 ILE HG21 H 1 -0.188 0.04 . 1 . . . A 130 ILE HG21 . 25492 1 879 . 1 1 81 81 ILE HG22 H 1 -0.188 0.04 . 1 . . . A 130 ILE HG22 . 25492 1 880 . 1 1 81 81 ILE HG23 H 1 -0.188 0.04 . 1 . . . A 130 ILE HG23 . 25492 1 881 . 1 1 81 81 ILE HD11 H 1 0.299 0.04 . 1 . . . A 130 ILE HD11 . 25492 1 882 . 1 1 81 81 ILE HD12 H 1 0.299 0.04 . 1 . . . A 130 ILE HD12 . 25492 1 883 . 1 1 81 81 ILE HD13 H 1 0.299 0.04 . 1 . . . A 130 ILE HD13 . 25492 1 884 . 1 1 81 81 ILE C C 13 175.622 0.40 . 1 . . . A 130 ILE C . 25492 1 885 . 1 1 81 81 ILE CA C 13 61.128 0.40 . 1 . . . A 130 ILE CA . 25492 1 886 . 1 1 81 81 ILE CB C 13 40.502 0.40 . 1 . . . A 130 ILE CB . 25492 1 887 . 1 1 81 81 ILE CG1 C 13 27.517 0.40 . 1 . . . A 130 ILE CG1 . 25492 1 888 . 1 1 81 81 ILE CG2 C 13 18.602 0.40 . 1 . . . A 130 ILE CG2 . 25492 1 889 . 1 1 81 81 ILE CD1 C 13 15.503 0.40 . 1 . . . A 130 ILE CD1 . 25492 1 890 . 1 1 81 81 ILE N N 15 124.990 0.40 . 1 . . . A 130 ILE N . 25492 1 891 . 1 1 82 82 GLU H H 1 8.550 0.04 . 1 . . . A 131 GLU H . 25492 1 892 . 1 1 82 82 GLU HA H 1 4.459 0.04 . 1 . . . A 131 GLU HA . 25492 1 893 . 1 1 82 82 GLU HG2 H 1 1.899 0.04 . 2 . . . A 131 GLU HG2 . 25492 1 894 . 1 1 82 82 GLU HG3 H 1 1.798 0.04 . 2 . . . A 131 GLU HG3 . 25492 1 895 . 1 1 82 82 GLU C C 13 176.434 0.40 . 1 . . . A 131 GLU C . 25492 1 896 . 1 1 82 82 GLU CA C 13 55.043 0.40 . 1 . . . A 131 GLU CA . 25492 1 897 . 1 1 82 82 GLU CG C 13 37.213 0.40 . 1 . . . A 131 GLU CG . 25492 1 898 . 1 1 82 82 GLU N N 15 127.920 0.40 . 1 . . . A 131 GLU N . 25492 1 899 . 1 1 83 83 GLY H H 1 8.803 0.04 . 1 . . . A 132 GLY H . 25492 1 900 . 1 1 83 83 GLY HA2 H 1 4.898 0.04 . 2 . . . A 132 GLY HA2 . 25492 1 901 . 1 1 83 83 GLY HA3 H 1 2.656 0.04 . 2 . . . A 132 GLY HA3 . 25492 1 902 . 1 1 83 83 GLY C C 13 176.678 0.40 . 1 . . . A 132 GLY C . 25492 1 903 . 1 1 83 83 GLY CA C 13 45.486 0.40 . 1 . . . A 132 GLY CA . 25492 1 904 . 1 1 83 83 GLY N N 15 110.782 0.40 . 1 . . . A 132 GLY N . 25492 1 905 . 1 1 84 84 VAL H H 1 8.218 0.04 . 1 . . . A 133 VAL H . 25492 1 906 . 1 1 84 84 VAL HA H 1 4.458 0.04 . 1 . . . A 133 VAL HA . 25492 1 907 . 1 1 84 84 VAL HB H 1 1.545 0.04 . 1 . . . A 133 VAL HB . 25492 1 908 . 1 1 84 84 VAL HG11 H 1 0.464 0.04 . 2 . . . A 133 VAL HG11 . 25492 1 909 . 1 1 84 84 VAL HG12 H 1 0.464 0.04 . 2 . . . A 133 VAL HG12 . 25492 1 910 . 1 1 84 84 VAL HG13 H 1 0.464 0.04 . 2 . . . A 133 VAL HG13 . 25492 1 911 . 1 1 84 84 VAL HG21 H 1 0.414 0.04 . 2 . . . A 133 VAL HG21 . 25492 1 912 . 1 1 84 84 VAL HG22 H 1 0.414 0.04 . 2 . . . A 133 VAL HG22 . 25492 1 913 . 1 1 84 84 VAL HG23 H 1 0.414 0.04 . 2 . . . A 133 VAL HG23 . 25492 1 914 . 1 1 84 84 VAL C C 13 171.962 0.40 . 1 . . . A 133 VAL C . 25492 1 915 . 1 1 84 84 VAL CA C 13 60.701 0.40 . 1 . . . A 133 VAL CA . 25492 1 916 . 1 1 84 84 VAL CB C 13 37.576 0.40 . 1 . . . A 133 VAL CB . 25492 1 917 . 1 1 84 84 VAL CG1 C 13 22.522 0.40 . 2 . . . A 133 VAL CG1 . 25492 1 918 . 1 1 84 84 VAL CG2 C 13 21.559 0.40 . 2 . . . A 133 VAL CG2 . 25492 1 919 . 1 1 84 84 VAL N N 15 122.743 0.40 . 1 . . . A 133 VAL N . 25492 1 920 . 1 1 85 85 VAL H H 1 7.724 0.04 . 1 . . . A 134 VAL H . 25492 1 921 . 1 1 85 85 VAL HA H 1 4.246 0.04 . 1 . . . A 134 VAL HA . 25492 1 922 . 1 1 85 85 VAL HG11 H 1 0.574 0.04 . 2 . . . A 134 VAL HG11 . 25492 1 923 . 1 1 85 85 VAL HG12 H 1 0.574 0.04 . 2 . . . A 134 VAL HG12 . 25492 1 924 . 1 1 85 85 VAL HG13 H 1 0.574 0.04 . 2 . . . A 134 VAL HG13 . 25492 1 925 . 1 1 85 85 VAL C C 13 175.045 0.40 . 1 . . . A 134 VAL C . 25492 1 926 . 1 1 85 85 VAL CA C 13 60.410 0.40 . 1 . . . A 134 VAL CA . 25492 1 927 . 1 1 85 85 VAL CG1 C 13 21.471 0.40 . 2 . . . A 134 VAL CG1 . 25492 1 928 . 1 1 85 85 VAL N N 15 129.436 0.40 . 1 . . . A 134 VAL N . 25492 1 929 . 1 1 86 86 PRO HA H 1 4.009 0.04 . 1 . . . A 135 PRO HA . 25492 1 930 . 1 1 86 86 PRO HB2 H 1 1.589 0.04 . 2 . . . A 135 PRO HB2 . 25492 1 931 . 1 1 86 86 PRO HB3 H 1 1.457 0.04 . 2 . . . A 135 PRO HB3 . 25492 1 932 . 1 1 86 86 PRO HG2 H 1 0.922 0.04 . 2 . . . A 135 PRO HG2 . 25492 1 933 . 1 1 86 86 PRO HG3 H 1 0.837 0.04 . 2 . . . A 135 PRO HG3 . 25492 1 934 . 1 1 86 86 PRO HD2 H 1 3.310 0.04 . 2 . . . A 135 PRO HD2 . 25492 1 935 . 1 1 86 86 PRO HD3 H 1 3.470 0.04 . 2 . . . A 135 PRO HD3 . 25492 1 936 . 1 1 86 86 PRO CA C 13 64.896 0.40 . 1 . . . A 135 PRO CA . 25492 1 937 . 1 1 86 86 PRO CB C 13 32.700 0.40 . 1 . . . A 135 PRO CB . 25492 1 938 . 1 1 86 86 PRO CG C 13 26.861 0.40 . 1 . . . A 135 PRO CG . 25492 1 939 . 1 1 86 86 PRO CD C 13 50.836 0.40 . 1 . . . A 135 PRO CD . 25492 1 940 . 1 1 87 87 PHE H H 1 6.836 0.04 . 1 . . . A 136 PHE H . 25492 1 941 . 1 1 87 87 PHE HA H 1 4.151 0.04 . 1 . . . A 136 PHE HA . 25492 1 942 . 1 1 87 87 PHE HB2 H 1 2.983 0.04 . 2 . . . A 136 PHE HB2 . 25492 1 943 . 1 1 87 87 PHE HB3 H 1 2.672 0.04 . 2 . . . A 136 PHE HB3 . 25492 1 944 . 1 1 87 87 PHE C C 13 176.141 0.40 . 1 . . . A 136 PHE C . 25492 1 945 . 1 1 87 87 PHE CA C 13 56.884 0.40 . 1 . . . A 136 PHE CA . 25492 1 946 . 1 1 87 87 PHE CB C 13 39.774 0.40 . 1 . . . A 136 PHE CB . 25492 1 947 . 1 1 87 87 PHE N N 15 114.326 0.40 . 1 . . . A 136 PHE N . 25492 1 948 . 1 1 88 88 GLY H H 1 8.246 0.04 . 1 . . . A 137 GLY H . 25492 1 949 . 1 1 88 88 GLY HA2 H 1 3.550 0.04 . 2 . . . A 137 GLY HA2 . 25492 1 950 . 1 1 88 88 GLY HA3 H 1 3.550 0.04 . 2 . . . A 137 GLY HA3 . 25492 1 951 . 1 1 88 88 GLY C C 13 174.293 0.40 . 1 . . . A 137 GLY C . 25492 1 952 . 1 1 88 88 GLY CA C 13 46.785 0.40 . 1 . . . A 137 GLY CA . 25492 1 953 . 1 1 88 88 GLY N N 15 104.766 0.40 . 1 . . . A 137 GLY N . 25492 1 954 . 1 1 89 89 ALA H H 1 8.006 0.04 . 1 . . . A 138 ALA H . 25492 1 955 . 1 1 89 89 ALA HA H 1 3.781 0.04 . 1 . . . A 138 ALA HA . 25492 1 956 . 1 1 89 89 ALA HB1 H 1 0.877 0.04 . 1 . . . A 138 ALA HB1 . 25492 1 957 . 1 1 89 89 ALA HB2 H 1 0.877 0.04 . 1 . . . A 138 ALA HB2 . 25492 1 958 . 1 1 89 89 ALA HB3 H 1 0.877 0.04 . 1 . . . A 138 ALA HB3 . 25492 1 959 . 1 1 89 89 ALA C C 13 176.160 0.40 . 1 . . . A 138 ALA C . 25492 1 960 . 1 1 89 89 ALA CA C 13 54.910 0.40 . 1 . . . A 138 ALA CA . 25492 1 961 . 1 1 89 89 ALA CB C 13 19.327 0.40 . 1 . . . A 138 ALA CB . 25492 1 962 . 1 1 89 89 ALA N N 15 121.881 0.40 . 1 . . . A 138 ALA N . 25492 1 963 . 1 1 90 90 ASN H H 1 7.816 0.04 . 1 . . . A 139 ASN H . 25492 1 964 . 1 1 90 90 ASN HA H 1 4.453 0.04 . 1 . . . A 139 ASN HA . 25492 1 965 . 1 1 90 90 ASN HB2 H 1 2.498 0.04 . 2 . . . A 139 ASN HB2 . 25492 1 966 . 1 1 90 90 ASN HB3 H 1 2.521 0.04 . 2 . . . A 139 ASN HB3 . 25492 1 967 . 1 1 90 90 ASN C C 13 178.321 0.40 . 1 . . . A 139 ASN C . 25492 1 968 . 1 1 90 90 ASN CA C 13 53.258 0.40 . 1 . . . A 139 ASN CA . 25492 1 969 . 1 1 90 90 ASN CB C 13 39.189 0.40 . 1 . . . A 139 ASN CB . 25492 1 970 . 1 1 90 90 ASN N N 15 113.333 0.40 . 1 . . . A 139 ASN N . 25492 1 971 . 1 1 91 91 ASN H H 1 7.583 0.04 . 1 . . . A 140 ASN H . 25492 1 972 . 1 1 91 91 ASN HA H 1 4.091 0.04 . 1 . . . A 140 ASN HA . 25492 1 973 . 1 1 91 91 ASN HB2 H 1 2.589 0.04 . 2 . . . A 140 ASN HB2 . 25492 1 974 . 1 1 91 91 ASN HB3 H 1 2.822 0.04 . 2 . . . A 140 ASN HB3 . 25492 1 975 . 1 1 91 91 ASN C C 13 176.004 0.40 . 1 . . . A 140 ASN C . 25492 1 976 . 1 1 91 91 ASN CA C 13 54.250 0.40 . 1 . . . A 140 ASN CA . 25492 1 977 . 1 1 91 91 ASN CB C 13 40.114 0.40 . 1 . . . A 140 ASN CB . 25492 1 978 . 1 1 91 91 ASN N N 15 122.304 0.40 . 1 . . . A 140 ASN N . 25492 1 979 . 1 1 92 92 ALA H H 1 7.986 0.04 . 1 . . . A 141 ALA H . 25492 1 980 . 1 1 92 92 ALA HA H 1 3.629 0.04 . 1 . . . A 141 ALA HA . 25492 1 981 . 1 1 92 92 ALA HB1 H 1 0.509 0.04 . 1 . . . A 141 ALA HB1 . 25492 1 982 . 1 1 92 92 ALA HB2 H 1 0.509 0.04 . 1 . . . A 141 ALA HB2 . 25492 1 983 . 1 1 92 92 ALA HB3 H 1 0.509 0.04 . 1 . . . A 141 ALA HB3 . 25492 1 984 . 1 1 92 92 ALA C C 13 175.797 0.40 . 1 . . . A 141 ALA C . 25492 1 985 . 1 1 92 92 ALA CA C 13 54.391 0.40 . 1 . . . A 141 ALA CA . 25492 1 986 . 1 1 92 92 ALA CB C 13 20.390 0.40 . 1 . . . A 141 ALA CB . 25492 1 987 . 1 1 92 92 ALA N N 15 121.529 0.40 . 1 . . . A 141 ALA N . 25492 1 988 . 1 1 93 93 PHE H H 1 8.092 0.04 . 1 . . . A 142 PHE H . 25492 1 989 . 1 1 93 93 PHE HB2 H 1 2.740 0.04 . 2 . . . A 142 PHE HB2 . 25492 1 990 . 1 1 93 93 PHE HB3 H 1 2.858 0.04 . 2 . . . A 142 PHE HB3 . 25492 1 991 . 1 1 93 93 PHE C C 13 178.900 0.40 . 1 . . . A 142 PHE C . 25492 1 992 . 1 1 93 93 PHE CB C 13 42.402 0.40 . 1 . . . A 142 PHE CB . 25492 1 993 . 1 1 93 93 PHE N N 15 113.439 0.40 . 1 . . . A 142 PHE N . 25492 1 994 . 1 1 94 94 THR H H 1 7.856 0.04 . 1 . . . A 143 THR H . 25492 1 995 . 1 1 94 94 THR HA H 1 5.039 0.04 . 1 . . . A 143 THR HA . 25492 1 996 . 1 1 94 94 THR HG21 H 1 0.954 0.04 . 1 . . . A 143 THR HG21 . 25492 1 997 . 1 1 94 94 THR HG22 H 1 0.954 0.04 . 1 . . . A 143 THR HG22 . 25492 1 998 . 1 1 94 94 THR HG23 H 1 0.954 0.04 . 1 . . . A 143 THR HG23 . 25492 1 999 . 1 1 94 94 THR C C 13 177.259 0.40 . 1 . . . A 143 THR C . 25492 1 1000 . 1 1 94 94 THR CA C 13 61.022 0.40 . 1 . . . A 143 THR CA . 25492 1 1001 . 1 1 94 94 THR CG2 C 13 23.364 0.40 . 1 . . . A 143 THR CG2 . 25492 1 1002 . 1 1 94 94 THR N N 15 114.555 0.40 . 1 . . . A 143 THR N . 25492 1 1003 . 1 1 95 95 MET H H 1 8.720 0.04 . 1 . . . A 144 MET H . 25492 1 1004 . 1 1 95 95 MET HA H 1 4.861 0.04 . 1 . . . A 144 MET HA . 25492 1 1005 . 1 1 95 95 MET HB2 H 1 1.675 0.04 . 2 . . . A 144 MET HB2 . 25492 1 1006 . 1 1 95 95 MET HB3 H 1 1.675 0.04 . 2 . . . A 144 MET HB3 . 25492 1 1007 . 1 1 95 95 MET HG2 H 1 2.173 0.04 . 2 . . . A 144 MET HG2 . 25492 1 1008 . 1 1 95 95 MET HG3 H 1 2.091 0.04 . 2 . . . A 144 MET HG3 . 25492 1 1009 . 1 1 95 95 MET HE1 H 1 1.590 0.04 . 1 . . . A 144 MET HE1 . 25492 1 1010 . 1 1 95 95 MET HE2 H 1 1.590 0.04 . 1 . . . A 144 MET HE2 . 25492 1 1011 . 1 1 95 95 MET HE3 H 1 1.590 0.04 . 1 . . . A 144 MET HE3 . 25492 1 1012 . 1 1 95 95 MET C C 13 173.150 0.40 . 1 . . . A 144 MET C . 25492 1 1013 . 1 1 95 95 MET CA C 13 53.809 0.40 . 1 . . . A 144 MET CA . 25492 1 1014 . 1 1 95 95 MET CB C 13 37.419 0.40 . 1 . . . A 144 MET CB . 25492 1 1015 . 1 1 95 95 MET CG C 13 31.193 0.40 . 1 . . . A 144 MET CG . 25492 1 1016 . 1 1 95 95 MET CE C 13 18.201 0.40 . 1 . . . A 144 MET CE . 25492 1 1017 . 1 1 95 95 MET N N 15 123.225 0.40 . 1 . . . A 144 MET N . 25492 1 1018 . 1 1 96 96 PRO HA H 1 4.257 0.04 . 1 . . . A 145 PRO HA . 25492 1 1019 . 1 1 96 96 PRO HB2 H 1 1.090 0.04 . 2 . . . A 145 PRO HB2 . 25492 1 1020 . 1 1 96 96 PRO HB3 H 1 1.725 0.04 . 2 . . . A 145 PRO HB3 . 25492 1 1021 . 1 1 96 96 PRO HG2 H 1 1.341 0.04 . 2 . . . A 145 PRO HG2 . 25492 1 1022 . 1 1 96 96 PRO HG3 H 1 1.050 0.04 . 2 . . . A 145 PRO HG3 . 25492 1 1023 . 1 1 96 96 PRO HD2 H 1 3.553 0.04 . 2 . . . A 145 PRO HD2 . 25492 1 1024 . 1 1 96 96 PRO HD3 H 1 3.398 0.04 . 2 . . . A 145 PRO HD3 . 25492 1 1025 . 1 1 96 96 PRO CA C 13 63.520 0.40 . 1 . . . A 145 PRO CA . 25492 1 1026 . 1 1 96 96 PRO CB C 13 33.585 0.40 . 1 . . . A 145 PRO CB . 25492 1 1027 . 1 1 96 96 PRO CG C 13 28.299 0.40 . 1 . . . A 145 PRO CG . 25492 1 1028 . 1 1 96 96 PRO CD C 13 51.536 0.40 . 1 . . . A 145 PRO CD . 25492 1 1029 . 1 1 97 97 LEU H H 1 7.300 0.04 . 1 . . . A 146 LEU H . 25492 1 1030 . 1 1 97 97 LEU HA H 1 4.333 0.04 . 1 . . . A 146 LEU HA . 25492 1 1031 . 1 1 97 97 LEU HB2 H 1 0.881 0.04 . 2 . . . A 146 LEU HB2 . 25492 1 1032 . 1 1 97 97 LEU HB3 H 1 0.814 0.04 . 2 . . . A 146 LEU HB3 . 25492 1 1033 . 1 1 97 97 LEU HG H 1 0.808 0.04 . 1 . . . A 146 LEU HG . 25492 1 1034 . 1 1 97 97 LEU HD11 H 1 0.278 0.04 . 2 . . . A 146 LEU HD11 . 25492 1 1035 . 1 1 97 97 LEU HD12 H 1 0.278 0.04 . 2 . . . A 146 LEU HD12 . 25492 1 1036 . 1 1 97 97 LEU HD13 H 1 0.278 0.04 . 2 . . . A 146 LEU HD13 . 25492 1 1037 . 1 1 97 97 LEU HD21 H 1 0.236 0.04 . 2 . . . A 146 LEU HD21 . 25492 1 1038 . 1 1 97 97 LEU HD22 H 1 0.236 0.04 . 2 . . . A 146 LEU HD22 . 25492 1 1039 . 1 1 97 97 LEU HD23 H 1 0.236 0.04 . 2 . . . A 146 LEU HD23 . 25492 1 1040 . 1 1 97 97 LEU C C 13 174.470 0.40 . 1 . . . A 146 LEU C . 25492 1 1041 . 1 1 97 97 LEU CA C 13 54.218 0.40 . 1 . . . A 146 LEU CA . 25492 1 1042 . 1 1 97 97 LEU CB C 13 47.198 0.40 . 1 . . . A 146 LEU CB . 25492 1 1043 . 1 1 97 97 LEU CG C 13 28.611 0.40 . 1 . . . A 146 LEU CG . 25492 1 1044 . 1 1 97 97 LEU CD1 C 13 27.303 0.40 . 2 . . . A 146 LEU CD1 . 25492 1 1045 . 1 1 97 97 LEU CD2 C 13 25.867 0.40 . 2 . . . A 146 LEU CD2 . 25492 1 1046 . 1 1 97 97 LEU N N 15 117.009 0.40 . 1 . . . A 146 LEU N . 25492 1 1047 . 1 1 98 98 HIS H H 1 9.005 0.04 . 1 . . . A 147 HIS H . 25492 1 1048 . 1 1 98 98 HIS HA H 1 4.703 0.04 . 1 . . . A 147 HIS HA . 25492 1 1049 . 1 1 98 98 HIS HB2 H 1 2.874 0.04 . 2 . . . A 147 HIS HB2 . 25492 1 1050 . 1 1 98 98 HIS HB3 H 1 2.430 0.04 . 2 . . . A 147 HIS HB3 . 25492 1 1051 . 1 1 98 98 HIS C C 13 175.525 0.40 . 1 . . . A 147 HIS C . 25492 1 1052 . 1 1 98 98 HIS CA C 13 56.550 0.40 . 1 . . . A 147 HIS CA . 25492 1 1053 . 1 1 98 98 HIS CB C 13 33.193 0.40 . 1 . . . A 147 HIS CB . 25492 1 1054 . 1 1 98 98 HIS N N 15 128.727 0.40 . 1 . . . A 147 HIS N . 25492 1 1055 . 1 1 99 99 MET H H 1 8.577 0.04 . 1 . . . A 148 MET H . 25492 1 1056 . 1 1 99 99 MET HA H 1 5.093 0.04 . 1 . . . A 148 MET HA . 25492 1 1057 . 1 1 99 99 MET HB2 H 1 1.212 0.04 . 2 . . . A 148 MET HB2 . 25492 1 1058 . 1 1 99 99 MET HB3 H 1 1.212 0.04 . 2 . . . A 148 MET HB3 . 25492 1 1059 . 1 1 99 99 MET HG2 H 1 1.807 0.04 . 2 . . . A 148 MET HG2 . 25492 1 1060 . 1 1 99 99 MET HG3 H 1 1.636 0.04 . 2 . . . A 148 MET HG3 . 25492 1 1061 . 1 1 99 99 MET HE1 H 1 1.408 0.04 . 1 . . . A 148 MET HE1 . 25492 1 1062 . 1 1 99 99 MET HE2 H 1 1.408 0.04 . 1 . . . A 148 MET HE2 . 25492 1 1063 . 1 1 99 99 MET HE3 H 1 1.408 0.04 . 1 . . . A 148 MET HE3 . 25492 1 1064 . 1 1 99 99 MET C C 13 176.063 0.40 . 1 . . . A 148 MET C . 25492 1 1065 . 1 1 99 99 MET CA C 13 55.102 0.40 . 1 . . . A 148 MET CA . 25492 1 1066 . 1 1 99 99 MET CB C 13 37.754 0.40 . 1 . . . A 148 MET CB . 25492 1 1067 . 1 1 99 99 MET CG C 13 33.569 0.40 . 1 . . . A 148 MET CG . 25492 1 1068 . 1 1 99 99 MET CE C 13 18.500 0.40 . 1 . . . A 148 MET CE . 25492 1 1069 . 1 1 99 99 MET N N 15 127.504 0.40 . 1 . . . A 148 MET N . 25492 1 1070 . 1 1 100 100 THR H H 1 8.562 0.04 . 1 . . . A 149 THR H . 25492 1 1071 . 1 1 100 100 THR HA H 1 4.442 0.04 . 1 . . . A 149 THR HA . 25492 1 1072 . 1 1 100 100 THR HB H 1 3.553 0.04 . 1 . . . A 149 THR HB . 25492 1 1073 . 1 1 100 100 THR HG21 H 1 0.623 0.04 . 1 . . . A 149 THR HG21 . 25492 1 1074 . 1 1 100 100 THR HG22 H 1 0.623 0.04 . 1 . . . A 149 THR HG22 . 25492 1 1075 . 1 1 100 100 THR HG23 H 1 0.623 0.04 . 1 . . . A 149 THR HG23 . 25492 1 1076 . 1 1 100 100 THR C C 13 175.611 0.40 . 1 . . . A 149 THR C . 25492 1 1077 . 1 1 100 100 THR CA C 13 62.210 0.40 . 1 . . . A 149 THR CA . 25492 1 1078 . 1 1 100 100 THR CB C 13 71.462 0.40 . 1 . . . A 149 THR CB . 25492 1 1079 . 1 1 100 100 THR CG2 C 13 23.579 0.40 . 1 . . . A 149 THR CG2 . 25492 1 1080 . 1 1 100 100 THR N N 15 117.214 0.40 . 1 . . . A 149 THR N . 25492 1 1081 . 1 1 101 101 PHE H H 1 8.063 0.04 . 1 . . . A 150 PHE H . 25492 1 1082 . 1 1 101 101 PHE HA H 1 4.763 0.04 . 1 . . . A 150 PHE HA . 25492 1 1083 . 1 1 101 101 PHE HB2 H 1 2.760 0.04 . 2 . . . A 150 PHE HB2 . 25492 1 1084 . 1 1 101 101 PHE HB3 H 1 2.233 0.04 . 2 . . . A 150 PHE HB3 . 25492 1 1085 . 1 1 101 101 PHE C C 13 173.281 0.40 . 1 . . . A 150 PHE C . 25492 1 1086 . 1 1 101 101 PHE CA C 13 57.166 0.40 . 1 . . . A 150 PHE CA . 25492 1 1087 . 1 1 101 101 PHE CB C 13 43.215 0.40 . 1 . . . A 150 PHE CB . 25492 1 1088 . 1 1 101 101 PHE N N 15 123.446 0.40 . 1 . . . A 150 PHE N . 25492 1 1089 . 1 1 102 102 TRP H H 1 8.705 0.04 . 1 . . . A 151 TRP H . 25492 1 1090 . 1 1 102 102 TRP HA H 1 4.737 0.04 . 1 . . . A 151 TRP HA . 25492 1 1091 . 1 1 102 102 TRP HB2 H 1 2.649 0.04 . 2 . . . A 151 TRP HB2 . 25492 1 1092 . 1 1 102 102 TRP HB3 H 1 2.452 0.04 . 2 . . . A 151 TRP HB3 . 25492 1 1093 . 1 1 102 102 TRP C C 13 174.581 0.40 . 1 . . . A 151 TRP C . 25492 1 1094 . 1 1 102 102 TRP CA C 13 55.662 0.40 . 1 . . . A 151 TRP CA . 25492 1 1095 . 1 1 102 102 TRP CB C 13 33.560 0.40 . 1 . . . A 151 TRP CB . 25492 1 1096 . 1 1 102 102 TRP N N 15 124.626 0.40 . 1 . . . A 151 TRP N . 25492 1 1097 . 1 1 103 103 GLY H H 1 8.056 0.04 . 1 . . . A 152 GLY H . 25492 1 1098 . 1 1 103 103 GLY HA2 H 1 3.865 0.04 . 2 . . . A 152 GLY HA2 . 25492 1 1099 . 1 1 103 103 GLY HA3 H 1 3.693 0.04 . 2 . . . A 152 GLY HA3 . 25492 1 1100 . 1 1 103 103 GLY C C 13 176.205 0.40 . 1 . . . A 152 GLY C . 25492 1 1101 . 1 1 103 103 GLY CA C 13 47.404 0.40 . 1 . . . A 152 GLY CA . 25492 1 1102 . 1 1 103 103 GLY N N 15 107.917 0.40 . 1 . . . A 152 GLY N . 25492 1 1103 . 1 1 104 104 LYS H H 1 8.806 0.04 . 1 . . . A 153 LYS H . 25492 1 1104 . 1 1 104 104 LYS HA H 1 4.399 0.04 . 1 . . . A 153 LYS HA . 25492 1 1105 . 1 1 104 104 LYS HB2 H 1 1.830 0.04 . 2 . . . A 153 LYS HB2 . 25492 1 1106 . 1 1 104 104 LYS HB3 H 1 1.428 0.04 . 2 . . . A 153 LYS HB3 . 25492 1 1107 . 1 1 104 104 LYS HG2 H 1 1.272 0.04 . 2 . . . A 153 LYS HG2 . 25492 1 1108 . 1 1 104 104 LYS HG3 H 1 1.272 0.04 . 2 . . . A 153 LYS HG3 . 25492 1 1109 . 1 1 104 104 LYS HD2 H 1 1.393 0.04 . 2 . . . A 153 LYS HD2 . 25492 1 1110 . 1 1 104 104 LYS HD3 H 1 1.393 0.04 . 2 . . . A 153 LYS HD3 . 25492 1 1111 . 1 1 104 104 LYS HE2 H 1 2.692 0.04 . 2 . . . A 153 LYS HE2 . 25492 1 1112 . 1 1 104 104 LYS HE3 H 1 2.692 0.04 . 2 . . . A 153 LYS HE3 . 25492 1 1113 . 1 1 104 104 LYS C C 13 172.347 0.40 . 1 . . . A 153 LYS C . 25492 1 1114 . 1 1 104 104 LYS CA C 13 55.953 0.40 . 1 . . . A 153 LYS CA . 25492 1 1115 . 1 1 104 104 LYS CB C 13 34.447 0.40 . 1 . . . A 153 LYS CB . 25492 1 1116 . 1 1 104 104 LYS CG C 13 25.837 0.40 . 1 . . . A 153 LYS CG . 25492 1 1117 . 1 1 104 104 LYS CD C 13 30.080 0.40 . 1 . . . A 153 LYS CD . 25492 1 1118 . 1 1 104 104 LYS CE C 13 43.089 0.40 . 1 . . . A 153 LYS CE . 25492 1 1119 . 1 1 104 104 LYS N N 15 121.060 0.40 . 1 . . . A 153 LYS N . 25492 1 1120 . 1 1 105 105 GLU H H 1 9.110 0.04 . 1 . . . A 154 GLU H . 25492 1 1121 . 1 1 105 105 GLU HA H 1 3.722 0.04 . 1 . . . A 154 GLU HA . 25492 1 1122 . 1 1 105 105 GLU HB2 H 1 1.984 0.04 . 2 . . . A 154 GLU HB2 . 25492 1 1123 . 1 1 105 105 GLU HB3 H 1 1.695 0.04 . 2 . . . A 154 GLU HB3 . 25492 1 1124 . 1 1 105 105 GLU HG2 H 1 2.157 0.04 . 2 . . . A 154 GLU HG2 . 25492 1 1125 . 1 1 105 105 GLU HG3 H 1 1.957 0.04 . 2 . . . A 154 GLU HG3 . 25492 1 1126 . 1 1 105 105 GLU C C 13 179.543 0.40 . 1 . . . A 154 GLU C . 25492 1 1127 . 1 1 105 105 GLU CA C 13 61.053 0.40 . 1 . . . A 154 GLU CA . 25492 1 1128 . 1 1 105 105 GLU CB C 13 30.568 0.40 . 1 . . . A 154 GLU CB . 25492 1 1129 . 1 1 105 105 GLU CG C 13 35.932 0.40 . 1 . . . A 154 GLU CG . 25492 1 1130 . 1 1 105 105 GLU N N 15 126.172 0.40 . 1 . . . A 154 GLU N . 25492 1 1131 . 1 1 106 106 GLU H H 1 9.054 0.04 . 1 . . . A 155 GLU H . 25492 1 1132 . 1 1 106 106 GLU HA H 1 3.939 0.04 . 1 . . . A 155 GLU HA . 25492 1 1133 . 1 1 106 106 GLU HB2 H 1 1.808 0.04 . 2 . . . A 155 GLU HB2 . 25492 1 1134 . 1 1 106 106 GLU HB3 H 1 1.740 0.04 . 2 . . . A 155 GLU HB3 . 25492 1 1135 . 1 1 106 106 GLU HG2 H 1 1.889 0.04 . 2 . . . A 155 GLU HG2 . 25492 1 1136 . 1 1 106 106 GLU HG3 H 1 1.889 0.04 . 2 . . . A 155 GLU HG3 . 25492 1 1137 . 1 1 106 106 GLU C C 13 179.288 0.40 . 1 . . . A 155 GLU C . 25492 1 1138 . 1 1 106 106 GLU CA C 13 59.609 0.40 . 1 . . . A 155 GLU CA . 25492 1 1139 . 1 1 106 106 GLU CB C 13 29.862 0.40 . 1 . . . A 155 GLU CB . 25492 1 1140 . 1 1 106 106 GLU CG C 13 36.568 0.40 . 1 . . . A 155 GLU CG . 25492 1 1141 . 1 1 106 106 GLU N N 15 116.044 0.40 . 1 . . . A 155 GLU N . 25492 1 1142 . 1 1 107 107 ASN H H 1 8.049 0.04 . 1 . . . A 156 ASN H . 25492 1 1143 . 1 1 107 107 ASN HA H 1 4.861 0.04 . 1 . . . A 156 ASN HA . 25492 1 1144 . 1 1 107 107 ASN HB2 H 1 2.960 0.04 . 2 . . . A 156 ASN HB2 . 25492 1 1145 . 1 1 107 107 ASN HB3 H 1 2.780 0.04 . 2 . . . A 156 ASN HB3 . 25492 1 1146 . 1 1 107 107 ASN C C 13 177.764 0.40 . 1 . . . A 156 ASN C . 25492 1 1147 . 1 1 107 107 ASN CA C 13 53.787 0.40 . 1 . . . A 156 ASN CA . 25492 1 1148 . 1 1 107 107 ASN CB C 13 41.140 0.40 . 1 . . . A 156 ASN CB . 25492 1 1149 . 1 1 107 107 ASN N N 15 117.975 0.40 . 1 . . . A 156 ASN N . 25492 1 1150 . 1 1 108 108 ARG H H 1 7.438 0.04 . 1 . . . A 157 ARG H . 25492 1 1151 . 1 1 108 108 ARG HA H 1 1.923 0.04 . 1 . . . A 157 ARG HA . 25492 1 1152 . 1 1 108 108 ARG HB2 H 1 1.288 0.04 . 2 . . . A 157 ARG HB2 . 25492 1 1153 . 1 1 108 108 ARG HB3 H 1 1.288 0.04 . 2 . . . A 157 ARG HB3 . 25492 1 1154 . 1 1 108 108 ARG HG2 H 1 0.721 0.04 . 2 . . . A 157 ARG HG2 . 25492 1 1155 . 1 1 108 108 ARG HG3 H 1 0.507 0.04 . 2 . . . A 157 ARG HG3 . 25492 1 1156 . 1 1 108 108 ARG HD2 H 1 2.993 0.04 . 2 . . . A 157 ARG HD2 . 25492 1 1157 . 1 1 108 108 ARG HD3 H 1 2.665 0.04 . 2 . . . A 157 ARG HD3 . 25492 1 1158 . 1 1 108 108 ARG C C 13 175.069 0.40 . 1 . . . A 157 ARG C . 25492 1 1159 . 1 1 108 108 ARG CA C 13 61.298 0.40 . 1 . . . A 157 ARG CA . 25492 1 1160 . 1 1 108 108 ARG CB C 13 32.175 0.40 . 1 . . . A 157 ARG CB . 25492 1 1161 . 1 1 108 108 ARG CG C 13 27.892 0.40 . 1 . . . A 157 ARG CG . 25492 1 1162 . 1 1 108 108 ARG CD C 13 44.431 0.40 . 1 . . . A 157 ARG CD . 25492 1 1163 . 1 1 108 108 ARG N N 15 123.887 0.40 . 1 . . . A 157 ARG N . 25492 1 1164 . 1 1 109 109 LYS H H 1 8.281 0.04 . 1 . . . A 158 LYS H . 25492 1 1165 . 1 1 109 109 LYS HA H 1 3.557 0.04 . 1 . . . A 158 LYS HA . 25492 1 1166 . 1 1 109 109 LYS HB2 H 1 1.491 0.04 . 2 . . . A 158 LYS HB2 . 25492 1 1167 . 1 1 109 109 LYS HB3 H 1 1.409 0.04 . 2 . . . A 158 LYS HB3 . 25492 1 1168 . 1 1 109 109 LYS HG2 H 1 1.042 0.04 . 2 . . . A 158 LYS HG2 . 25492 1 1169 . 1 1 109 109 LYS HG3 H 1 1.042 0.04 . 2 . . . A 158 LYS HG3 . 25492 1 1170 . 1 1 109 109 LYS HD2 H 1 1.373 0.04 . 2 . . . A 158 LYS HD2 . 25492 1 1171 . 1 1 109 109 LYS HD3 H 1 1.270 0.04 . 2 . . . A 158 LYS HD3 . 25492 1 1172 . 1 1 109 109 LYS HE2 H 1 2.874 0.04 . 2 . . . A 158 LYS HE2 . 25492 1 1173 . 1 1 109 109 LYS HE3 H 1 2.692 0.04 . 2 . . . A 158 LYS HE3 . 25492 1 1174 . 1 1 109 109 LYS C C 13 179.222 0.40 . 1 . . . A 158 LYS C . 25492 1 1175 . 1 1 109 109 LYS CA C 13 60.250 0.40 . 1 . . . A 158 LYS CA . 25492 1 1176 . 1 1 109 109 LYS CB C 13 32.547 0.40 . 1 . . . A 158 LYS CB . 25492 1 1177 . 1 1 109 109 LYS CG C 13 25.809 0.40 . 1 . . . A 158 LYS CG . 25492 1 1178 . 1 1 109 109 LYS CD C 13 30.040 0.40 . 1 . . . A 158 LYS CD . 25492 1 1179 . 1 1 109 109 LYS CE C 13 43.090 0.40 . 1 . . . A 158 LYS CE . 25492 1 1180 . 1 1 109 109 LYS N N 15 120.763 0.40 . 1 . . . A 158 LYS N . 25492 1 1181 . 1 1 110 110 ALA H H 1 7.869 0.04 . 1 . . . A 159 ALA H . 25492 1 1182 . 1 1 110 110 ALA HA H 1 3.815 0.04 . 1 . . . A 159 ALA HA . 25492 1 1183 . 1 1 110 110 ALA HB1 H 1 1.221 0.04 . 1 . . . A 159 ALA HB1 . 25492 1 1184 . 1 1 110 110 ALA HB2 H 1 1.221 0.04 . 1 . . . A 159 ALA HB2 . 25492 1 1185 . 1 1 110 110 ALA HB3 H 1 1.221 0.04 . 1 . . . A 159 ALA HB3 . 25492 1 1186 . 1 1 110 110 ALA C C 13 178.401 0.40 . 1 . . . A 159 ALA C . 25492 1 1187 . 1 1 110 110 ALA CA C 13 55.847 0.40 . 1 . . . A 159 ALA CA . 25492 1 1188 . 1 1 110 110 ALA CB C 13 19.474 0.40 . 1 . . . A 159 ALA CB . 25492 1 1189 . 1 1 110 110 ALA N N 15 122.126 0.40 . 1 . . . A 159 ALA N . 25492 1 1190 . 1 1 111 111 VAL H H 1 7.400 0.04 . 1 . . . A 160 VAL H . 25492 1 1191 . 1 1 111 111 VAL HA H 1 3.027 0.04 . 1 . . . A 160 VAL HA . 25492 1 1192 . 1 1 111 111 VAL HB H 1 1.521 0.04 . 1 . . . A 160 VAL HB . 25492 1 1193 . 1 1 111 111 VAL HG11 H 1 0.318 0.04 . 2 . . . A 160 VAL HG11 . 25492 1 1194 . 1 1 111 111 VAL HG12 H 1 0.318 0.04 . 2 . . . A 160 VAL HG12 . 25492 1 1195 . 1 1 111 111 VAL HG13 H 1 0.318 0.04 . 2 . . . A 160 VAL HG13 . 25492 1 1196 . 1 1 111 111 VAL HG21 H 1 0.763 0.04 . 2 . . . A 160 VAL HG21 . 25492 1 1197 . 1 1 111 111 VAL HG22 H 1 0.763 0.04 . 2 . . . A 160 VAL HG22 . 25492 1 1198 . 1 1 111 111 VAL HG23 H 1 0.763 0.04 . 2 . . . A 160 VAL HG23 . 25492 1 1199 . 1 1 111 111 VAL C C 13 182.541 0.40 . 1 . . . A 160 VAL C . 25492 1 1200 . 1 1 111 111 VAL CA C 13 68.174 0.40 . 1 . . . A 160 VAL CA . 25492 1 1201 . 1 1 111 111 VAL CB C 13 32.228 0.40 . 1 . . . A 160 VAL CB . 25492 1 1202 . 1 1 111 111 VAL CG1 C 13 21.838 0.40 . 2 . . . A 160 VAL CG1 . 25492 1 1203 . 1 1 111 111 VAL CG2 C 13 26.951 0.40 . 2 . . . A 160 VAL CG2 . 25492 1 1204 . 1 1 111 111 VAL N N 15 118.843 0.40 . 1 . . . A 160 VAL N . 25492 1 1205 . 1 1 112 112 SER H H 1 7.781 0.04 . 1 . . . A 161 SER H . 25492 1 1206 . 1 1 112 112 SER HA H 1 3.494 0.04 . 1 . . . A 161 SER HA . 25492 1 1207 . 1 1 112 112 SER HB2 H 1 3.546 0.04 . 2 . . . A 161 SER HB2 . 25492 1 1208 . 1 1 112 112 SER HB3 H 1 3.546 0.04 . 2 . . . A 161 SER HB3 . 25492 1 1209 . 1 1 112 112 SER C C 13 177.700 0.40 . 1 . . . A 161 SER C . 25492 1 1210 . 1 1 112 112 SER CA C 13 63.517 0.40 . 1 . . . A 161 SER CA . 25492 1 1211 . 1 1 112 112 SER CB C 13 63.530 0.40 . 1 . . . A 161 SER CB . 25492 1 1212 . 1 1 112 112 SER N N 15 115.825 0.40 . 1 . . . A 161 SER N . 25492 1 1213 . 1 1 113 113 ASP H H 1 9.024 0.04 . 1 . . . A 162 ASP H . 25492 1 1214 . 1 1 113 113 ASP HA H 1 4.024 0.04 . 1 . . . A 162 ASP HA . 25492 1 1215 . 1 1 113 113 ASP HB2 H 1 2.440 0.04 . 2 . . . A 162 ASP HB2 . 25492 1 1216 . 1 1 113 113 ASP HB3 H 1 2.212 0.04 . 2 . . . A 162 ASP HB3 . 25492 1 1217 . 1 1 113 113 ASP C C 13 181.188 0.40 . 1 . . . A 162 ASP C . 25492 1 1218 . 1 1 113 113 ASP CA C 13 58.147 0.40 . 1 . . . A 162 ASP CA . 25492 1 1219 . 1 1 113 113 ASP CB C 13 40.761 0.40 . 1 . . . A 162 ASP CB . 25492 1 1220 . 1 1 113 113 ASP N N 15 122.654 0.40 . 1 . . . A 162 ASP N . 25492 1 1221 . 1 1 114 114 GLN H H 1 7.306 0.04 . 1 . . . A 163 GLN H . 25492 1 1222 . 1 1 114 114 GLN HA H 1 3.917 0.04 . 1 . . . A 163 GLN HA . 25492 1 1223 . 1 1 114 114 GLN HB2 H 1 1.868 0.04 . 2 . . . A 163 GLN HB2 . 25492 1 1224 . 1 1 114 114 GLN HB3 H 1 1.730 0.04 . 2 . . . A 163 GLN HB3 . 25492 1 1225 . 1 1 114 114 GLN HG2 H 1 2.255 0.04 . 2 . . . A 163 GLN HG2 . 25492 1 1226 . 1 1 114 114 GLN HG3 H 1 2.053 0.04 . 2 . . . A 163 GLN HG3 . 25492 1 1227 . 1 1 114 114 GLN C C 13 179.677 0.40 . 1 . . . A 163 GLN C . 25492 1 1228 . 1 1 114 114 GLN CA C 13 58.897 0.40 . 1 . . . A 163 GLN CA . 25492 1 1229 . 1 1 114 114 GLN CB C 13 27.137 0.40 . 1 . . . A 163 GLN CB . 25492 1 1230 . 1 1 114 114 GLN CG C 13 33.374 0.40 . 1 . . . A 163 GLN CG . 25492 1 1231 . 1 1 114 114 GLN N N 15 121.737 0.40 . 1 . . . A 163 GLN N . 25492 1 1232 . 1 1 115 115 LEU H H 1 7.537 0.04 . 1 . . . A 164 LEU H . 25492 1 1233 . 1 1 115 115 LEU HA H 1 3.745 0.04 . 1 . . . A 164 LEU HA . 25492 1 1234 . 1 1 115 115 LEU HB2 H 1 1.391 0.04 . 2 . . . A 164 LEU HB2 . 25492 1 1235 . 1 1 115 115 LEU HB3 H 1 0.995 0.04 . 2 . . . A 164 LEU HB3 . 25492 1 1236 . 1 1 115 115 LEU HG H 1 -0.070 0.04 . 1 . . . A 164 LEU HG . 25492 1 1237 . 1 1 115 115 LEU HD11 H 1 0.164 0.04 . 2 . . . A 164 LEU HD11 . 25492 1 1238 . 1 1 115 115 LEU HD12 H 1 0.164 0.04 . 2 . . . A 164 LEU HD12 . 25492 1 1239 . 1 1 115 115 LEU HD13 H 1 0.164 0.04 . 2 . . . A 164 LEU HD13 . 25492 1 1240 . 1 1 115 115 LEU HD21 H 1 0.164 0.04 . 2 . . . A 164 LEU HD21 . 25492 1 1241 . 1 1 115 115 LEU HD22 H 1 0.164 0.04 . 2 . . . A 164 LEU HD22 . 25492 1 1242 . 1 1 115 115 LEU HD23 H 1 0.164 0.04 . 2 . . . A 164 LEU HD23 . 25492 1 1243 . 1 1 115 115 LEU C C 13 178.357 0.40 . 1 . . . A 164 LEU C . 25492 1 1244 . 1 1 115 115 LEU CA C 13 59.308 0.40 . 1 . . . A 164 LEU CA . 25492 1 1245 . 1 1 115 115 LEU CB C 13 41.517 0.40 . 1 . . . A 164 LEU CB . 25492 1 1246 . 1 1 115 115 LEU CG C 13 27.264 0.40 . 1 . . . A 164 LEU CG . 25492 1 1247 . 1 1 115 115 LEU CD1 C 13 23.746 0.40 . 2 . . . A 164 LEU CD1 . 25492 1 1248 . 1 1 115 115 LEU CD2 C 13 23.747 0.40 . 2 . . . A 164 LEU CD2 . 25492 1 1249 . 1 1 115 115 LEU N N 15 118.164 0.40 . 1 . . . A 164 LEU N . 25492 1 1250 . 1 1 116 116 LYS H H 1 8.155 0.04 . 1 . . . A 165 LYS H . 25492 1 1251 . 1 1 116 116 LYS HA H 1 3.908 0.04 . 1 . . . A 165 LYS HA . 25492 1 1252 . 1 1 116 116 LYS HB2 H 1 1.728 0.04 . 2 . . . A 165 LYS HB2 . 25492 1 1253 . 1 1 116 116 LYS HB3 H 1 1.624 0.04 . 2 . . . A 165 LYS HB3 . 25492 1 1254 . 1 1 116 116 LYS HG2 H 1 1.209 0.04 . 2 . . . A 165 LYS HG2 . 25492 1 1255 . 1 1 116 116 LYS HG3 H 1 1.120 0.04 . 2 . . . A 165 LYS HG3 . 25492 1 1256 . 1 1 116 116 LYS HD2 H 1 1.365 0.04 . 2 . . . A 165 LYS HD2 . 25492 1 1257 . 1 1 116 116 LYS HD3 H 1 1.365 0.04 . 2 . . . A 165 LYS HD3 . 25492 1 1258 . 1 1 116 116 LYS HE2 H 1 2.633 0.04 . 2 . . . A 165 LYS HE2 . 25492 1 1259 . 1 1 116 116 LYS HE3 H 1 2.633 0.04 . 2 . . . A 165 LYS HE3 . 25492 1 1260 . 1 1 116 116 LYS C C 13 180.698 0.40 . 1 . . . A 165 LYS C . 25492 1 1261 . 1 1 116 116 LYS CA C 13 60.571 0.40 . 1 . . . A 165 LYS CA . 25492 1 1262 . 1 1 116 116 LYS CB C 13 33.353 0.40 . 1 . . . A 165 LYS CB . 25492 1 1263 . 1 1 116 116 LYS CG C 13 25.820 0.40 . 1 . . . A 165 LYS CG . 25492 1 1264 . 1 1 116 116 LYS CD C 13 30.146 0.40 . 1 . . . A 165 LYS CD . 25492 1 1265 . 1 1 116 116 LYS CE C 13 42.943 0.40 . 1 . . . A 165 LYS CE . 25492 1 1266 . 1 1 116 116 LYS N N 15 122.529 0.40 . 1 . . . A 165 LYS N . 25492 1 1267 . 1 1 117 117 LYS H H 1 7.549 0.04 . 1 . . . A 166 LYS H . 25492 1 1268 . 1 1 117 117 LYS HA H 1 3.667 0.04 . 1 . . . A 166 LYS HA . 25492 1 1269 . 1 1 117 117 LYS HG2 H 1 1.031 0.04 . 2 . . . A 166 LYS HG2 . 25492 1 1270 . 1 1 117 117 LYS HG3 H 1 0.858 0.04 . 2 . . . A 166 LYS HG3 . 25492 1 1271 . 1 1 117 117 LYS HD2 H 1 1.229 0.04 . 2 . . . A 166 LYS HD2 . 25492 1 1272 . 1 1 117 117 LYS HD3 H 1 1.229 0.04 . 2 . . . A 166 LYS HD3 . 25492 1 1273 . 1 1 117 117 LYS HE2 H 1 2.517 0.04 . 2 . . . A 166 LYS HE2 . 25492 1 1274 . 1 1 117 117 LYS HE3 H 1 2.517 0.04 . 2 . . . A 166 LYS HE3 . 25492 1 1275 . 1 1 117 117 LYS C C 13 181.334 0.40 . 1 . . . A 166 LYS C . 25492 1 1276 . 1 1 117 117 LYS CA C 13 59.706 0.40 . 1 . . . A 166 LYS CA . 25492 1 1277 . 1 1 117 117 LYS CG C 13 25.633 0.40 . 1 . . . A 166 LYS CG . 25492 1 1278 . 1 1 117 117 LYS CD C 13 30.375 0.40 . 1 . . . A 166 LYS CD . 25492 1 1279 . 1 1 117 117 LYS CE C 13 42.830 0.40 . 1 . . . A 166 LYS CE . 25492 1 1280 . 1 1 117 117 LYS N N 15 121.075 0.40 . 1 . . . A 166 LYS N . 25492 1 1281 . 1 1 118 118 HIS H H 1 7.033 0.04 . 1 . . . A 167 HIS H . 25492 1 1282 . 1 1 118 118 HIS HA H 1 4.151 0.04 . 1 . . . A 167 HIS HA . 25492 1 1283 . 1 1 118 118 HIS HB2 H 1 3.370 0.04 . 2 . . . A 167 HIS HB2 . 25492 1 1284 . 1 1 118 118 HIS HB3 H 1 2.635 0.04 . 2 . . . A 167 HIS HB3 . 25492 1 1285 . 1 1 118 118 HIS C C 13 177.661 0.40 . 1 . . . A 167 HIS C . 25492 1 1286 . 1 1 118 118 HIS CA C 13 56.833 0.40 . 1 . . . A 167 HIS CA . 25492 1 1287 . 1 1 118 118 HIS CB C 13 33.847 0.40 . 1 . . . A 167 HIS CB . 25492 1 1288 . 1 1 118 118 HIS N N 15 116.575 0.40 . 1 . . . A 167 HIS N . 25492 1 1289 . 1 1 119 119 GLY H H 1 7.472 0.04 . 1 . . . A 168 GLY H . 25492 1 1290 . 1 1 119 119 GLY HA2 H 1 3.592 0.04 . 2 . . . A 168 GLY HA2 . 25492 1 1291 . 1 1 119 119 GLY HA3 H 1 3.313 0.04 . 2 . . . A 168 GLY HA3 . 25492 1 1292 . 1 1 119 119 GLY C C 13 174.754 0.40 . 1 . . . A 168 GLY C . 25492 1 1293 . 1 1 119 119 GLY CA C 13 46.379 0.40 . 1 . . . A 168 GLY CA . 25492 1 1294 . 1 1 119 119 GLY N N 15 107.239 0.40 . 1 . . . A 168 GLY N . 25492 1 1295 . 1 1 120 120 PHE H H 1 7.674 0.04 . 1 . . . A 169 PHE H . 25492 1 1296 . 1 1 120 120 PHE HB2 H 1 2.616 0.04 . 2 . . . A 169 PHE HB2 . 25492 1 1297 . 1 1 120 120 PHE HB3 H 1 2.268 0.04 . 2 . . . A 169 PHE HB3 . 25492 1 1298 . 1 1 120 120 PHE C C 13 174.695 0.40 . 1 . . . A 169 PHE C . 25492 1 1299 . 1 1 120 120 PHE CB C 13 42.999 0.40 . 1 . . . A 169 PHE CB . 25492 1 1300 . 1 1 120 120 PHE N N 15 120.389 0.40 . 1 . . . A 169 PHE N . 25492 1 1301 . 1 1 121 121 LYS H H 1 8.062 0.04 . 1 . . . A 170 LYS H . 25492 1 1302 . 1 1 121 121 LYS HA H 1 4.070 0.04 . 1 . . . A 170 LYS HA . 25492 1 1303 . 1 1 121 121 LYS HB2 H 1 1.489 0.04 . 2 . . . A 170 LYS HB2 . 25492 1 1304 . 1 1 121 121 LYS HB3 H 1 1.382 0.04 . 2 . . . A 170 LYS HB3 . 25492 1 1305 . 1 1 121 121 LYS HG2 H 1 1.055 0.04 . 2 . . . A 170 LYS HG2 . 25492 1 1306 . 1 1 121 121 LYS HG3 H 1 1.011 0.04 . 2 . . . A 170 LYS HG3 . 25492 1 1307 . 1 1 121 121 LYS HD2 H 1 1.300 0.04 . 2 . . . A 170 LYS HD2 . 25492 1 1308 . 1 1 121 121 LYS HD3 H 1 1.300 0.04 . 2 . . . A 170 LYS HD3 . 25492 1 1309 . 1 1 121 121 LYS HE2 H 1 2.640 0.04 . 2 . . . A 170 LYS HE2 . 25492 1 1310 . 1 1 121 121 LYS HE3 H 1 2.640 0.04 . 2 . . . A 170 LYS HE3 . 25492 1 1311 . 1 1 121 121 LYS C C 13 174.927 0.40 . 1 . . . A 170 LYS C . 25492 1 1312 . 1 1 121 121 LYS CA C 13 56.553 0.40 . 1 . . . A 170 LYS CA . 25492 1 1313 . 1 1 121 121 LYS CB C 13 35.661 0.40 . 1 . . . A 170 LYS CB . 25492 1 1314 . 1 1 121 121 LYS CG C 13 24.751 0.40 . 1 . . . A 170 LYS CG . 25492 1 1315 . 1 1 121 121 LYS CD C 13 30.183 0.40 . 1 . . . A 170 LYS CD . 25492 1 1316 . 1 1 121 121 LYS CE C 13 43.012 0.40 . 1 . . . A 170 LYS CE . 25492 1 1317 . 1 1 121 121 LYS N N 15 121.445 0.40 . 1 . . . A 170 LYS N . 25492 1 1318 . 1 1 122 122 LEU H H 1 7.588 0.04 . 1 . . . A 171 LEU H . 25492 1 1319 . 1 1 122 122 LEU HA H 1 4.359 0.04 . 1 . . . A 171 LEU HA . 25492 1 1320 . 1 1 122 122 LEU HB2 H 1 1.235 0.04 . 2 . . . A 171 LEU HB2 . 25492 1 1321 . 1 1 122 122 LEU HB3 H 1 1.105 0.04 . 2 . . . A 171 LEU HB3 . 25492 1 1322 . 1 1 122 122 LEU HG H 1 0.438 0.04 . 1 . . . A 171 LEU HG . 25492 1 1323 . 1 1 122 122 LEU HD11 H 1 0.345 0.04 . 2 . . . A 171 LEU HD11 . 25492 1 1324 . 1 1 122 122 LEU HD12 H 1 0.345 0.04 . 2 . . . A 171 LEU HD12 . 25492 1 1325 . 1 1 122 122 LEU HD13 H 1 0.345 0.04 . 2 . . . A 171 LEU HD13 . 25492 1 1326 . 1 1 122 122 LEU HD21 H 1 0.346 0.04 . 2 . . . A 171 LEU HD21 . 25492 1 1327 . 1 1 122 122 LEU HD22 H 1 0.346 0.04 . 2 . . . A 171 LEU HD22 . 25492 1 1328 . 1 1 122 122 LEU HD23 H 1 0.346 0.04 . 2 . . . A 171 LEU HD23 . 25492 1 1329 . 1 1 122 122 LEU C C 13 174.726 0.40 . 1 . . . A 171 LEU C . 25492 1 1330 . 1 1 122 122 LEU CA C 13 55.895 0.40 . 1 . . . A 171 LEU CA . 25492 1 1331 . 1 1 122 122 LEU CB C 13 43.654 0.40 . 1 . . . A 171 LEU CB . 25492 1 1332 . 1 1 122 122 LEU CG C 13 26.829 0.40 . 1 . . . A 171 LEU CG . 25492 1 1333 . 1 1 122 122 LEU CD1 C 13 25.438 0.40 . 2 . . . A 171 LEU CD1 . 25492 1 1334 . 1 1 122 122 LEU CD2 C 13 25.410 0.40 . 2 . . . A 171 LEU CD2 . 25492 1 1335 . 1 1 122 122 LEU N N 15 129.112 0.40 . 1 . . . A 171 LEU N . 25492 1 stop_ save_