data_18179 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18179 _Entry.Title ; Solution structure of E60A mutant AGR2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-04 _Entry.Accession_date 2012-01-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pryank Patel . . . 18179 2 Christopher Clarke . J. . 18179 3 Dong Barraclough . L. . 18179 4 Philip Rudland . S. . 18179 5 Roger Barraclough . . . 18179 6 Lu-Yun Lian . . . 18179 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' . 18179 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID adhesion . 18179 AGR2 . 18179 'Anterior-gradient Protein 2' . 18179 cancer . 18179 metastasis . 18179 Thioredoxin-fold . 18179 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18179 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 18179 '15N chemical shifts' 110 18179 '1H chemical shifts' 651 18179 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-12 2012-01-04 update BMRB 'update entry citation' 18179 1 . . 2013-01-07 2012-01-04 original author 'original release' 18179 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LNT 'BMRB Entry Tracking System' 18179 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18179 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23274113 _Citation.Full_citation . _Citation.Title 'Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 5 _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 929 _Citation.Page_last 943 _Citation.Year 2013 _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 Pryank Patel . . . 18179 1 2 Christopher Clarke . . . 18179 1 3 'Dong Liu' Barraclough . . . 18179 1 4 'Thomas Adam' Jowitt . . . 18179 1 5 'Philip Spencer' Rudland . . . 18179 1 6 Roger Barraclough . . . 18179 1 7 Lu-Yun Lian . . . 18179 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18179 _Assembly.ID 1 _Assembly.Name 'E60A mutant AGR2' _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 'E60A mutant AGR2' 1 $AGR2_E60A A . yes native no no . . . 18179 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AGR2_E60A _Entity.Sf_category entity _Entity.Sf_framecode AGR2_E60A _Entity.Entry_ID 18179 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AGR2_E60A _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 ; IDPFTPQTLSRGWGDQLIWT QTYEAALYKSKTSNKPLMII HHLDECPHSQALKKVFAENK EIQKLAEQFVLLNLVYETTD KHLSPDGQYVPRIMFVDPSL TVRADITGRYSNRLYAYEPA DTALLLDNMKKALKLLKTEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 (IDPFT) represents a non-native affinity tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _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 E60A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14457.855 _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 18178 . AGR2 . . . . . 100.00 140 99.29 99.29 2.99e-97 . . . . 18179 1 2 no PDB 2LNS . "Solution Structure Of Agr2 Residues 41-175" . . . . . 100.00 140 99.29 99.29 2.99e-97 . . . . 18179 1 3 no PDB 2LNT . "Solution Structure Of E60a Mutant Agr2" . . . . . 100.00 140 100.00 100.00 4.37e-98 . . . . 18179 1 4 no DBJ BAD96787 . "anterior gradient 2 homolog [Homo sapiens]" . . . . . 98.57 175 97.10 97.10 3.92e-92 . . . . 18179 1 5 no DBJ BAG35784 . "unnamed protein product [Homo sapiens]" . . . . . 98.57 175 97.10 97.83 6.48e-93 . . . . 18179 1 6 no EMBL CAH92219 . "hypothetical protein [Pongo abelii]" . . . . . 98.57 175 97.10 97.10 6.13e-93 . . . . 18179 1 7 no GB AAC77358 . "secreted cement gland protein XAG-2 homolog [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 8 no GB AAC82614 . "secreted cement gland protein XAG-2 homolog [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 9 no GB AAF22484 . "putative secreted protein XAG [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 10 no GB AAH15503 . "Anterior gradient homolog 2 (Xenopus laevis) [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 11 no GB AAL54870 . "XAG-2 homolog long protein [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 12 no REF NP_001127525 . "anterior gradient protein 2 homolog precursor [Pongo abelii]" . . . . . 98.57 175 97.10 97.10 6.13e-93 . . . . 18179 1 13 no REF NP_001181233 . "anterior gradient protein 2 homolog precursor [Macaca mulatta]" . . . . . 98.57 175 97.10 97.83 5.09e-93 . . . . 18179 1 14 no REF NP_006399 . "anterior gradient protein 2 homolog precursor [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 15 no REF XP_002751578 . "PREDICTED: anterior gradient protein 2 homolog [Callithrix jacchus]" . . . . . 98.57 175 97.10 97.83 3.88e-93 . . . . 18179 1 16 no REF XP_002751579 . "PREDICTED: anterior gradient protein 2 homolog [Callithrix jacchus]" . . . . . 98.57 175 97.10 97.83 3.88e-93 . . . . 18179 1 17 no SP O95994 . "RecName: Full=Anterior gradient protein 2 homolog; Short=AG-2; Short=hAG-2; AltName: Full=HPC8; AltName: Full=Secreted cement g" . . . . . 98.57 175 97.83 97.83 2.86e-93 . . . . 18179 1 18 no SP Q5R7P1 . "RecName: Full=Anterior gradient protein 2 homolog; Flags: Precursor" . . . . . 98.57 175 97.10 97.10 6.13e-93 . . . . 18179 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 36 ILE . 18179 1 2 37 ASP . 18179 1 3 38 PRO . 18179 1 4 39 PHE . 18179 1 5 40 THR . 18179 1 6 41 PRO . 18179 1 7 42 GLN . 18179 1 8 43 THR . 18179 1 9 44 LEU . 18179 1 10 45 SER . 18179 1 11 46 ARG . 18179 1 12 47 GLY . 18179 1 13 48 TRP . 18179 1 14 49 GLY . 18179 1 15 50 ASP . 18179 1 16 51 GLN . 18179 1 17 52 LEU . 18179 1 18 53 ILE . 18179 1 19 54 TRP . 18179 1 20 55 THR . 18179 1 21 56 GLN . 18179 1 22 57 THR . 18179 1 23 58 TYR . 18179 1 24 59 GLU . 18179 1 25 60 ALA . 18179 1 26 61 ALA . 18179 1 27 62 LEU . 18179 1 28 63 TYR . 18179 1 29 64 LYS . 18179 1 30 65 SER . 18179 1 31 66 LYS . 18179 1 32 67 THR . 18179 1 33 68 SER . 18179 1 34 69 ASN . 18179 1 35 70 LYS . 18179 1 36 71 PRO . 18179 1 37 72 LEU . 18179 1 38 73 MET . 18179 1 39 74 ILE . 18179 1 40 75 ILE . 18179 1 41 76 HIS . 18179 1 42 77 HIS . 18179 1 43 78 LEU . 18179 1 44 79 ASP . 18179 1 45 80 GLU . 18179 1 46 81 CYS . 18179 1 47 82 PRO . 18179 1 48 83 HIS . 18179 1 49 84 SER . 18179 1 50 85 GLN . 18179 1 51 86 ALA . 18179 1 52 87 LEU . 18179 1 53 88 LYS . 18179 1 54 89 LYS . 18179 1 55 90 VAL . 18179 1 56 91 PHE . 18179 1 57 92 ALA . 18179 1 58 93 GLU . 18179 1 59 94 ASN . 18179 1 60 95 LYS . 18179 1 61 96 GLU . 18179 1 62 97 ILE . 18179 1 63 98 GLN . 18179 1 64 99 LYS . 18179 1 65 100 LEU . 18179 1 66 101 ALA . 18179 1 67 102 GLU . 18179 1 68 103 GLN . 18179 1 69 104 PHE . 18179 1 70 105 VAL . 18179 1 71 106 LEU . 18179 1 72 107 LEU . 18179 1 73 108 ASN . 18179 1 74 109 LEU . 18179 1 75 110 VAL . 18179 1 76 111 TYR . 18179 1 77 112 GLU . 18179 1 78 113 THR . 18179 1 79 114 THR . 18179 1 80 115 ASP . 18179 1 81 116 LYS . 18179 1 82 117 HIS . 18179 1 83 118 LEU . 18179 1 84 119 SER . 18179 1 85 120 PRO . 18179 1 86 121 ASP . 18179 1 87 122 GLY . 18179 1 88 123 GLN . 18179 1 89 124 TYR . 18179 1 90 125 VAL . 18179 1 91 126 PRO . 18179 1 92 127 ARG . 18179 1 93 128 ILE . 18179 1 94 129 MET . 18179 1 95 130 PHE . 18179 1 96 131 VAL . 18179 1 97 132 ASP . 18179 1 98 133 PRO . 18179 1 99 134 SER . 18179 1 100 135 LEU . 18179 1 101 136 THR . 18179 1 102 137 VAL . 18179 1 103 138 ARG . 18179 1 104 139 ALA . 18179 1 105 140 ASP . 18179 1 106 141 ILE . 18179 1 107 142 THR . 18179 1 108 143 GLY . 18179 1 109 144 ARG . 18179 1 110 145 TYR . 18179 1 111 146 SER . 18179 1 112 147 ASN . 18179 1 113 148 ARG . 18179 1 114 149 LEU . 18179 1 115 150 TYR . 18179 1 116 151 ALA . 18179 1 117 152 TYR . 18179 1 118 153 GLU . 18179 1 119 154 PRO . 18179 1 120 155 ALA . 18179 1 121 156 ASP . 18179 1 122 157 THR . 18179 1 123 158 ALA . 18179 1 124 159 LEU . 18179 1 125 160 LEU . 18179 1 126 161 LEU . 18179 1 127 162 ASP . 18179 1 128 163 ASN . 18179 1 129 164 MET . 18179 1 130 165 LYS . 18179 1 131 166 LYS . 18179 1 132 167 ALA . 18179 1 133 168 LEU . 18179 1 134 169 LYS . 18179 1 135 170 LEU . 18179 1 136 171 LEU . 18179 1 137 172 LYS . 18179 1 138 173 THR . 18179 1 139 174 GLU . 18179 1 140 175 LEU . 18179 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 . ILE 1 1 18179 1 . ASP 2 2 18179 1 . PRO 3 3 18179 1 . PHE 4 4 18179 1 . THR 5 5 18179 1 . PRO 6 6 18179 1 . GLN 7 7 18179 1 . THR 8 8 18179 1 . LEU 9 9 18179 1 . SER 10 10 18179 1 . ARG 11 11 18179 1 . GLY 12 12 18179 1 . TRP 13 13 18179 1 . GLY 14 14 18179 1 . ASP 15 15 18179 1 . GLN 16 16 18179 1 . LEU 17 17 18179 1 . ILE 18 18 18179 1 . TRP 19 19 18179 1 . THR 20 20 18179 1 . GLN 21 21 18179 1 . THR 22 22 18179 1 . TYR 23 23 18179 1 . GLU 24 24 18179 1 . ALA 25 25 18179 1 . ALA 26 26 18179 1 . LEU 27 27 18179 1 . TYR 28 28 18179 1 . LYS 29 29 18179 1 . SER 30 30 18179 1 . LYS 31 31 18179 1 . THR 32 32 18179 1 . SER 33 33 18179 1 . ASN 34 34 18179 1 . LYS 35 35 18179 1 . PRO 36 36 18179 1 . LEU 37 37 18179 1 . MET 38 38 18179 1 . ILE 39 39 18179 1 . ILE 40 40 18179 1 . HIS 41 41 18179 1 . HIS 42 42 18179 1 . LEU 43 43 18179 1 . ASP 44 44 18179 1 . GLU 45 45 18179 1 . CYS 46 46 18179 1 . PRO 47 47 18179 1 . HIS 48 48 18179 1 . SER 49 49 18179 1 . GLN 50 50 18179 1 . ALA 51 51 18179 1 . LEU 52 52 18179 1 . LYS 53 53 18179 1 . LYS 54 54 18179 1 . VAL 55 55 18179 1 . PHE 56 56 18179 1 . ALA 57 57 18179 1 . GLU 58 58 18179 1 . ASN 59 59 18179 1 . LYS 60 60 18179 1 . GLU 61 61 18179 1 . ILE 62 62 18179 1 . GLN 63 63 18179 1 . LYS 64 64 18179 1 . LEU 65 65 18179 1 . ALA 66 66 18179 1 . GLU 67 67 18179 1 . GLN 68 68 18179 1 . PHE 69 69 18179 1 . VAL 70 70 18179 1 . LEU 71 71 18179 1 . LEU 72 72 18179 1 . ASN 73 73 18179 1 . LEU 74 74 18179 1 . VAL 75 75 18179 1 . TYR 76 76 18179 1 . GLU 77 77 18179 1 . THR 78 78 18179 1 . THR 79 79 18179 1 . ASP 80 80 18179 1 . LYS 81 81 18179 1 . HIS 82 82 18179 1 . LEU 83 83 18179 1 . SER 84 84 18179 1 . PRO 85 85 18179 1 . ASP 86 86 18179 1 . GLY 87 87 18179 1 . GLN 88 88 18179 1 . TYR 89 89 18179 1 . VAL 90 90 18179 1 . PRO 91 91 18179 1 . ARG 92 92 18179 1 . ILE 93 93 18179 1 . MET 94 94 18179 1 . PHE 95 95 18179 1 . VAL 96 96 18179 1 . ASP 97 97 18179 1 . PRO 98 98 18179 1 . SER 99 99 18179 1 . LEU 100 100 18179 1 . THR 101 101 18179 1 . VAL 102 102 18179 1 . ARG 103 103 18179 1 . ALA 104 104 18179 1 . ASP 105 105 18179 1 . ILE 106 106 18179 1 . THR 107 107 18179 1 . GLY 108 108 18179 1 . ARG 109 109 18179 1 . TYR 110 110 18179 1 . SER 111 111 18179 1 . ASN 112 112 18179 1 . ARG 113 113 18179 1 . LEU 114 114 18179 1 . TYR 115 115 18179 1 . ALA 116 116 18179 1 . TYR 117 117 18179 1 . GLU 118 118 18179 1 . PRO 119 119 18179 1 . ALA 120 120 18179 1 . ASP 121 121 18179 1 . THR 122 122 18179 1 . ALA 123 123 18179 1 . LEU 124 124 18179 1 . LEU 125 125 18179 1 . LEU 126 126 18179 1 . ASP 127 127 18179 1 . ASN 128 128 18179 1 . MET 129 129 18179 1 . LYS 130 130 18179 1 . LYS 131 131 18179 1 . ALA 132 132 18179 1 . LEU 133 133 18179 1 . LYS 134 134 18179 1 . LEU 135 135 18179 1 . LEU 136 136 18179 1 . LYS 137 137 18179 1 . THR 138 138 18179 1 . GLU 139 139 18179 1 . LEU 140 140 18179 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 18179 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AGR2_E60A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18179 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 18179 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AGR2_E60A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-151D . . . . . . 18179 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18179 _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 'AGR2 E60A' '[U-13C; U-15N]' . . 1 $AGR2_E60A . . 0.3 . . mM . . . . 18179 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18179 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18179 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18179 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18179 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18179 _Sample.ID 2 _Sample.Type 'filamentous virus' _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 'AGR2 E60A' [U-15N] . . 1 $AGR2_E60A . . 0.3 . . mM . . . . 18179 2 2 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg . . . . 18179 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18179 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18179 2 5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18179 2 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18179 2 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 18179 _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 18179 1 pH 6.5 . pH 18179 1 pressure 1 . atm 18179 1 temperature 298 . K 18179 1 stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18179 _Software.ID 1 _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' . . 18179 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18179 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18179 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18179 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18179 2 'peak picking' 18179 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18179 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18179 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18179 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18179 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18179 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18179 4 processing 18179 4 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 18179 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18179 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18179 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18179 1 2 spectrometer_2 Bruker Avance . 800 . . . 18179 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 18179 _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 . . . . . . . . . . . . . . . . . . . . . 18179 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 11 IPAP no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 1 13 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18179 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 18179 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 18179 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 18179 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 18179 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 18179 _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' . . . 18179 1 2 '2D 1H-13C HSQC' . . . 18179 1 3 '3D HNCA' . . . 18179 1 4 '3D HN(CO)CA' . . . 18179 1 5 '3D HNCACB' . . . 18179 1 6 '3D CBCA(CO)NH' . . . 18179 1 7 '3D HNCO' . . . 18179 1 10 '3D HN(CA)CO' . . . 18179 1 12 '3D HBHA(CO)NH' . . . 18179 1 13 '3D HBHANH' . . . 18179 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 16 16 GLN H H 1 8.904 0.027 . 1 . . . A 51 GLN H . 18179 1 2 . 1 1 16 16 GLN HA H 1 4.488 0.017 . 1 . . . A 51 GLN HA . 18179 1 3 . 1 1 16 16 GLN CA C 13 55.438 0.029 . 1 . . . A 51 GLN CA . 18179 1 4 . 1 1 16 16 GLN CB C 13 28.083 0.046 . 1 . . . A 51 GLN CB . 18179 1 5 . 1 1 16 16 GLN N N 15 117.187 0.031 . 1 . . . A 51 GLN N . 18179 1 6 . 1 1 17 17 LEU H H 1 7.103 0.006 . 1 . . . A 52 LEU H . 18179 1 7 . 1 1 17 17 LEU HA H 1 4.317 0.011 . 1 . . . A 52 LEU HA . 18179 1 8 . 1 1 17 17 LEU HB2 H 1 1.510 0.027 . 1 . . . A 52 LEU HB2 . 18179 1 9 . 1 1 17 17 LEU HB3 H 1 0.806 0.010 . 1 . . . A 52 LEU HB3 . 18179 1 10 . 1 1 17 17 LEU HD11 H 1 0.764 0.016 . 1 . . . A 52 LEU HD11 . 18179 1 11 . 1 1 17 17 LEU HD12 H 1 0.764 0.016 . 1 . . . A 52 LEU HD12 . 18179 1 12 . 1 1 17 17 LEU HD13 H 1 0.764 0.016 . 1 . . . A 52 LEU HD13 . 18179 1 13 . 1 1 17 17 LEU CA C 13 53.456 0.040 . 1 . . . A 52 LEU CA . 18179 1 14 . 1 1 17 17 LEU CB C 13 42.494 0.005 . 1 . . . A 52 LEU CB . 18179 1 15 . 1 1 17 17 LEU CD1 C 13 22.506 0.017 . 1 . . . A 52 LEU CD1 . 18179 1 16 . 1 1 17 17 LEU N N 15 120.529 0.048 . 1 . . . A 52 LEU N . 18179 1 17 . 1 1 18 18 ILE HB H 1 1.757 0.004 . 1 . . . A 53 ILE HB . 18179 1 18 . 1 1 18 18 ILE HG21 H 1 0.766 0.010 . 1 . . . A 53 ILE HG21 . 18179 1 19 . 1 1 18 18 ILE HG22 H 1 0.766 0.010 . 1 . . . A 53 ILE HG22 . 18179 1 20 . 1 1 18 18 ILE HG23 H 1 0.766 0.010 . 1 . . . A 53 ILE HG23 . 18179 1 21 . 1 1 18 18 ILE HD11 H 1 0.752 0.009 . 1 . . . A 53 ILE HD11 . 18179 1 22 . 1 1 18 18 ILE HD12 H 1 0.752 0.009 . 1 . . . A 53 ILE HD12 . 18179 1 23 . 1 1 18 18 ILE HD13 H 1 0.752 0.009 . 1 . . . A 53 ILE HD13 . 18179 1 24 . 1 1 18 18 ILE CB C 13 36.458 0.027 . 1 . . . A 53 ILE CB . 18179 1 25 . 1 1 18 18 ILE CG2 C 13 17.451 0.016 . 1 . . . A 53 ILE CG2 . 18179 1 26 . 1 1 18 18 ILE CD1 C 13 11.629 0.006 . 1 . . . A 53 ILE CD1 . 18179 1 27 . 1 1 23 23 TYR HA H 1 4.359 0.007 . 1 . . . A 58 TYR HA . 18179 1 28 . 1 1 23 23 TYR HB2 H 1 2.962 0.010 . 1 . . . A 58 TYR HB2 . 18179 1 29 . 1 1 23 23 TYR HB3 H 1 2.962 0.010 . 1 . . . A 58 TYR HB3 . 18179 1 30 . 1 1 23 23 TYR HD1 H 1 6.912 0.022 . 3 . . . A 58 TYR HD1 . 18179 1 31 . 1 1 23 23 TYR HD2 H 1 6.912 0.022 . 3 . . . A 58 TYR HD2 . 18179 1 32 . 1 1 23 23 TYR C C 13 176.387 0.000 . 1 . . . A 58 TYR C . 18179 1 33 . 1 1 23 23 TYR CA C 13 59.597 0.042 . 1 . . . A 58 TYR CA . 18179 1 34 . 1 1 23 23 TYR CB C 13 38.572 0.035 . 1 . . . A 58 TYR CB . 18179 1 35 . 1 1 23 23 TYR CD1 C 13 131.620 0.070 . 3 . . . A 58 TYR CD1 . 18179 1 36 . 1 1 23 23 TYR CD2 C 13 131.620 0.070 . 3 . . . A 58 TYR CD2 . 18179 1 37 . 1 1 24 24 GLU H H 1 9.191 0.010 . 1 . . . A 59 GLU H . 18179 1 38 . 1 1 24 24 GLU CA C 13 60.871 0.073 . 1 . . . A 59 GLU CA . 18179 1 39 . 1 1 24 24 GLU CB C 13 28.494 0.053 . 1 . . . A 59 GLU CB . 18179 1 40 . 1 1 24 24 GLU N N 15 117.335 0.069 . 1 . . . A 59 GLU N . 18179 1 41 . 1 1 25 25 ALA H H 1 7.688 0.006 . 1 . . . A 60 ALA H . 18179 1 42 . 1 1 25 25 ALA CA C 13 54.555 0.019 . 1 . . . A 60 ALA CA . 18179 1 43 . 1 1 25 25 ALA CB C 13 18.528 0.055 . 1 . . . A 60 ALA CB . 18179 1 44 . 1 1 25 25 ALA N N 15 120.861 0.058 . 1 . . . A 60 ALA N . 18179 1 45 . 1 1 26 26 ALA H H 1 8.225 0.014 . 1 . . . A 61 ALA H . 18179 1 46 . 1 1 26 26 ALA HA H 1 3.900 0.006 . 1 . . . A 61 ALA HA . 18179 1 47 . 1 1 26 26 ALA HB1 H 1 1.526 0.011 . 1 . . . A 61 ALA HB1 . 18179 1 48 . 1 1 26 26 ALA HB2 H 1 1.526 0.011 . 1 . . . A 61 ALA HB2 . 18179 1 49 . 1 1 26 26 ALA HB3 H 1 1.526 0.011 . 1 . . . A 61 ALA HB3 . 18179 1 50 . 1 1 26 26 ALA CA C 13 55.346 0.044 . 1 . . . A 61 ALA CA . 18179 1 51 . 1 1 26 26 ALA CB C 13 19.104 0.049 . 1 . . . A 61 ALA CB . 18179 1 52 . 1 1 26 26 ALA N N 15 123.402 0.072 . 1 . . . A 61 ALA N . 18179 1 53 . 1 1 27 27 LEU H H 1 8.336 0.025 . 1 . . . A 62 LEU H . 18179 1 54 . 1 1 27 27 LEU HA H 1 3.700 0.009 . 1 . . . A 62 LEU HA . 18179 1 55 . 1 1 27 27 LEU HB2 H 1 1.578 0.009 . 1 . . . A 62 LEU HB2 . 18179 1 56 . 1 1 27 27 LEU HB3 H 1 1.203 0.011 . 1 . . . A 62 LEU HB3 . 18179 1 57 . 1 1 27 27 LEU HD11 H 1 0.227 0.003 . 1 . . . A 62 LEU HD11 . 18179 1 58 . 1 1 27 27 LEU HD12 H 1 0.227 0.003 . 1 . . . A 62 LEU HD12 . 18179 1 59 . 1 1 27 27 LEU HD13 H 1 0.227 0.003 . 1 . . . A 62 LEU HD13 . 18179 1 60 . 1 1 27 27 LEU HD21 H 1 0.595 0.009 . 1 . . . A 62 LEU HD21 . 18179 1 61 . 1 1 27 27 LEU HD22 H 1 0.595 0.009 . 1 . . . A 62 LEU HD22 . 18179 1 62 . 1 1 27 27 LEU HD23 H 1 0.595 0.009 . 1 . . . A 62 LEU HD23 . 18179 1 63 . 1 1 27 27 LEU C C 13 171.911 0.000 . 1 . . . A 62 LEU C . 18179 1 64 . 1 1 27 27 LEU CA C 13 57.654 0.038 . 1 . . . A 62 LEU CA . 18179 1 65 . 1 1 27 27 LEU CB C 13 41.905 0.021 . 1 . . . A 62 LEU CB . 18179 1 66 . 1 1 27 27 LEU CD1 C 13 25.020 0.018 . 1 . . . A 62 LEU CD1 . 18179 1 67 . 1 1 27 27 LEU CD2 C 13 22.327 0.059 . 1 . . . A 62 LEU CD2 . 18179 1 68 . 1 1 27 27 LEU N N 15 118.742 0.017 . 1 . . . A 62 LEU N . 18179 1 69 . 1 1 28 28 TYR H H 1 7.279 0.006 . 1 . . . A 63 TYR H . 18179 1 70 . 1 1 28 28 TYR HA H 1 4.007 0.008 . 1 . . . A 63 TYR HA . 18179 1 71 . 1 1 28 28 TYR HB2 H 1 3.097 0.011 . 1 . . . A 63 TYR HB2 . 18179 1 72 . 1 1 28 28 TYR HB3 H 1 3.001 0.000 . 1 . . . A 63 TYR HB3 . 18179 1 73 . 1 1 28 28 TYR HD1 H 1 6.999 0.011 . 3 . . . A 63 TYR HD1 . 18179 1 74 . 1 1 28 28 TYR HD2 H 1 6.999 0.011 . 3 . . . A 63 TYR HD2 . 18179 1 75 . 1 1 28 28 TYR HE1 H 1 6.742 0.025 . 3 . . . A 63 TYR HE1 . 18179 1 76 . 1 1 28 28 TYR HE2 H 1 6.742 0.025 . 3 . . . A 63 TYR HE2 . 18179 1 77 . 1 1 28 28 TYR C C 13 179.075 0.000 . 1 . . . A 63 TYR C . 18179 1 78 . 1 1 28 28 TYR CA C 13 61.769 0.015 . 1 . . . A 63 TYR CA . 18179 1 79 . 1 1 28 28 TYR CB C 13 38.071 0.040 . 1 . . . A 63 TYR CB . 18179 1 80 . 1 1 28 28 TYR CD1 C 13 133.051 0.000 . 3 . . . A 63 TYR CD1 . 18179 1 81 . 1 1 28 28 TYR CD2 C 13 133.051 0.000 . 3 . . . A 63 TYR CD2 . 18179 1 82 . 1 1 28 28 TYR CE1 C 13 117.735 0.000 . 3 . . . A 63 TYR CE1 . 18179 1 83 . 1 1 28 28 TYR CE2 C 13 117.735 0.000 . 3 . . . A 63 TYR CE2 . 18179 1 84 . 1 1 28 28 TYR N N 15 117.594 0.064 . 1 . . . A 63 TYR N . 18179 1 85 . 1 1 29 29 LYS H H 1 8.472 0.011 . 1 . . . A 64 LYS H . 18179 1 86 . 1 1 29 29 LYS HA H 1 3.663 0.003 . 1 . . . A 64 LYS HA . 18179 1 87 . 1 1 29 29 LYS HB2 H 1 1.874 0.005 . 1 . . . A 64 LYS HB2 . 18179 1 88 . 1 1 29 29 LYS HB3 H 1 1.874 0.006 . 1 . . . A 64 LYS HB3 . 18179 1 89 . 1 1 29 29 LYS HG2 H 1 1.580 0.007 . 1 . . . A 64 LYS HG2 . 18179 1 90 . 1 1 29 29 LYS HG3 H 1 1.431 0.006 . 1 . . . A 64 LYS HG3 . 18179 1 91 . 1 1 29 29 LYS C C 13 176.394 0.000 . 1 . . . A 64 LYS C . 18179 1 92 . 1 1 29 29 LYS CA C 13 59.230 0.035 . 1 . . . A 64 LYS CA . 18179 1 93 . 1 1 29 29 LYS CB C 13 32.573 0.016 . 1 . . . A 64 LYS CB . 18179 1 94 . 1 1 29 29 LYS CG C 13 25.473 0.042 . 1 . . . A 64 LYS CG . 18179 1 95 . 1 1 29 29 LYS N N 15 121.077 0.043 . 1 . . . A 64 LYS N . 18179 1 96 . 1 1 30 30 SER H H 1 8.500 0.012 . 1 . . . A 65 SER H . 18179 1 97 . 1 1 30 30 SER HA H 1 4.160 0.004 . 1 . . . A 65 SER HA . 18179 1 98 . 1 1 30 30 SER HB2 H 1 3.818 0.012 . 1 . . . A 65 SER HB2 . 18179 1 99 . 1 1 30 30 SER HB3 H 1 3.732 0.005 . 1 . . . A 65 SER HB3 . 18179 1 100 . 1 1 30 30 SER C C 13 176.518 0.000 . 1 . . . A 65 SER C . 18179 1 101 . 1 1 30 30 SER CA C 13 61.706 0.028 . 1 . . . A 65 SER CA . 18179 1 102 . 1 1 30 30 SER CB C 13 64.022 0.047 . 1 . . . A 65 SER CB . 18179 1 103 . 1 1 30 30 SER N N 15 117.933 0.046 . 1 . . . A 65 SER N . 18179 1 104 . 1 1 31 31 LYS H H 1 8.020 0.011 . 1 . . . A 66 LYS H . 18179 1 105 . 1 1 31 31 LYS HA H 1 4.301 0.007 . 1 . . . A 66 LYS HA . 18179 1 106 . 1 1 31 31 LYS HB2 H 1 1.926 0.009 . 1 . . . A 66 LYS HB2 . 18179 1 107 . 1 1 31 31 LYS HB3 H 1 1.921 0.011 . 1 . . . A 66 LYS HB3 . 18179 1 108 . 1 1 31 31 LYS HG2 H 1 1.357 0.007 . 1 . . . A 66 LYS HG2 . 18179 1 109 . 1 1 31 31 LYS HG3 H 1 1.354 0.006 . 1 . . . A 66 LYS HG3 . 18179 1 110 . 1 1 31 31 LYS C C 13 179.721 0.000 . 1 . . . A 66 LYS C . 18179 1 111 . 1 1 31 31 LYS CA C 13 59.165 0.027 . 1 . . . A 66 LYS CA . 18179 1 112 . 1 1 31 31 LYS CB C 13 32.372 0.027 . 1 . . . A 66 LYS CB . 18179 1 113 . 1 1 31 31 LYS CG C 13 24.286 0.050 . 1 . . . A 66 LYS CG . 18179 1 114 . 1 1 31 31 LYS N N 15 117.248 0.036 . 1 . . . A 66 LYS N . 18179 1 115 . 1 1 32 32 THR H H 1 7.844 0.005 . 1 . . . A 67 THR H . 18179 1 116 . 1 1 32 32 THR HA H 1 3.883 0.006 . 1 . . . A 67 THR HA . 18179 1 117 . 1 1 32 32 THR HB H 1 3.903 0.006 . 1 . . . A 67 THR HB . 18179 1 118 . 1 1 32 32 THR HG21 H 1 0.850 0.011 . 1 . . . A 67 THR HG21 . 18179 1 119 . 1 1 32 32 THR HG22 H 1 0.850 0.011 . 1 . . . A 67 THR HG22 . 18179 1 120 . 1 1 32 32 THR HG23 H 1 0.850 0.011 . 1 . . . A 67 THR HG23 . 18179 1 121 . 1 1 32 32 THR C C 13 176.237 0.010 . 1 . . . A 67 THR C . 18179 1 122 . 1 1 32 32 THR CA C 13 64.813 0.048 . 1 . . . A 67 THR CA . 18179 1 123 . 1 1 32 32 THR CB C 13 69.445 0.057 . 1 . . . A 67 THR CB . 18179 1 124 . 1 1 32 32 THR CG2 C 13 21.460 0.026 . 1 . . . A 67 THR CG2 . 18179 1 125 . 1 1 32 32 THR N N 15 109.772 0.090 . 1 . . . A 67 THR N . 18179 1 126 . 1 1 33 33 SER H H 1 8.047 0.008 . 1 . . . A 68 SER H . 18179 1 127 . 1 1 33 33 SER HA H 1 4.369 0.009 . 1 . . . A 68 SER HA . 18179 1 128 . 1 1 33 33 SER HB2 H 1 3.816 0.008 . 1 . . . A 68 SER HB2 . 18179 1 129 . 1 1 33 33 SER HB3 H 1 3.814 0.008 . 1 . . . A 68 SER HB3 . 18179 1 130 . 1 1 33 33 SER C C 13 174.628 0.006 . 1 . . . A 68 SER C . 18179 1 131 . 1 1 33 33 SER CA C 13 59.242 0.061 . 1 . . . A 68 SER CA . 18179 1 132 . 1 1 33 33 SER CB C 13 65.166 0.029 . 1 . . . A 68 SER CB . 18179 1 133 . 1 1 33 33 SER N N 15 115.610 0.039 . 1 . . . A 68 SER N . 18179 1 134 . 1 1 34 34 ASN H H 1 8.061 0.010 . 1 . . . A 69 ASN H . 18179 1 135 . 1 1 34 34 ASN HA H 1 4.181 0.008 . 1 . . . A 69 ASN HA . 18179 1 136 . 1 1 34 34 ASN HB2 H 1 3.226 0.002 . 1 . . . A 69 ASN HB2 . 18179 1 137 . 1 1 34 34 ASN HB3 H 1 2.369 0.018 . 1 . . . A 69 ASN HB3 . 18179 1 138 . 1 1 34 34 ASN HD21 H 1 7.366 0.009 . 1 . . . A 69 ASN HD21 . 18179 1 139 . 1 1 34 34 ASN HD22 H 1 6.428 0.002 . 1 . . . A 69 ASN HD22 . 18179 1 140 . 1 1 34 34 ASN C C 13 173.253 0.038 . 1 . . . A 69 ASN C . 18179 1 141 . 1 1 34 34 ASN CA C 13 54.302 0.046 . 1 . . . A 69 ASN CA . 18179 1 142 . 1 1 34 34 ASN CB C 13 38.506 0.021 . 1 . . . A 69 ASN CB . 18179 1 143 . 1 1 34 34 ASN N N 15 110.215 0.041 . 1 . . . A 69 ASN N . 18179 1 144 . 1 1 34 34 ASN ND2 N 15 110.197 0.028 . 1 . . . A 69 ASN ND2 . 18179 1 145 . 1 1 35 35 LYS H H 1 7.589 0.007 . 1 . . . A 70 LYS H . 18179 1 146 . 1 1 35 35 LYS HA H 1 4.676 0.011 . 1 . . . A 70 LYS HA . 18179 1 147 . 1 1 35 35 LYS HB2 H 1 1.675 0.010 . 1 . . . A 70 LYS HB2 . 18179 1 148 . 1 1 35 35 LYS HB3 H 1 1.388 0.022 . 1 . . . A 70 LYS HB3 . 18179 1 149 . 1 1 35 35 LYS HD2 H 1 1.392 0.011 . 1 . . . A 70 LYS HD2 . 18179 1 150 . 1 1 35 35 LYS HD3 H 1 1.301 0.010 . 1 . . . A 70 LYS HD3 . 18179 1 151 . 1 1 35 35 LYS HE2 H 1 2.707 0.004 . 1 . . . A 70 LYS HE2 . 18179 1 152 . 1 1 35 35 LYS HE3 H 1 2.709 0.004 . 1 . . . A 70 LYS HE3 . 18179 1 153 . 1 1 35 35 LYS CA C 13 53.385 0.041 . 1 . . . A 70 LYS CA . 18179 1 154 . 1 1 35 35 LYS CB C 13 34.049 0.041 . 1 . . . A 70 LYS CB . 18179 1 155 . 1 1 35 35 LYS CD C 13 29.196 0.027 . 1 . . . A 70 LYS CD . 18179 1 156 . 1 1 35 35 LYS CE C 13 42.291 0.049 . 1 . . . A 70 LYS CE . 18179 1 157 . 1 1 35 35 LYS N N 15 117.312 0.043 . 1 . . . A 70 LYS N . 18179 1 158 . 1 1 36 36 PRO HA H 1 4.371 0.002 . 1 . . . A 71 PRO HA . 18179 1 159 . 1 1 36 36 PRO HB2 H 1 2.065 0.031 . 1 . . . A 71 PRO HB2 . 18179 1 160 . 1 1 36 36 PRO HB3 H 1 1.847 0.012 . 1 . . . A 71 PRO HB3 . 18179 1 161 . 1 1 36 36 PRO HD2 H 1 3.070 0.004 . 1 . . . A 71 PRO HD2 . 18179 1 162 . 1 1 36 36 PRO HD3 H 1 3.797 0.016 . 1 . . . A 71 PRO HD3 . 18179 1 163 . 1 1 36 36 PRO C C 13 172.189 0.001 . 1 . . . A 71 PRO C . 18179 1 164 . 1 1 36 36 PRO CA C 13 62.356 0.020 . 1 . . . A 71 PRO CA . 18179 1 165 . 1 1 36 36 PRO CB C 13 31.785 0.040 . 1 . . . A 71 PRO CB . 18179 1 166 . 1 1 36 36 PRO CD C 13 51.194 0.015 . 1 . . . A 71 PRO CD . 18179 1 167 . 1 1 37 37 LEU H H 1 8.936 0.013 . 1 . . . A 72 LEU H . 18179 1 168 . 1 1 37 37 LEU HA H 1 5.392 0.007 . 1 . . . A 72 LEU HA . 18179 1 169 . 1 1 37 37 LEU HB2 H 1 1.834 0.020 . 1 . . . A 72 LEU HB2 . 18179 1 170 . 1 1 37 37 LEU HB3 H 1 1.308 0.034 . 1 . . . A 72 LEU HB3 . 18179 1 171 . 1 1 37 37 LEU HD11 H 1 0.710 0.008 . 1 . . . A 72 LEU HD11 . 18179 1 172 . 1 1 37 37 LEU HD12 H 1 0.710 0.008 . 1 . . . A 72 LEU HD12 . 18179 1 173 . 1 1 37 37 LEU HD13 H 1 0.710 0.008 . 1 . . . A 72 LEU HD13 . 18179 1 174 . 1 1 37 37 LEU HD21 H 1 0.704 0.018 . 1 . . . A 72 LEU HD21 . 18179 1 175 . 1 1 37 37 LEU HD22 H 1 0.704 0.018 . 1 . . . A 72 LEU HD22 . 18179 1 176 . 1 1 37 37 LEU HD23 H 1 0.704 0.018 . 1 . . . A 72 LEU HD23 . 18179 1 177 . 1 1 37 37 LEU C C 13 174.422 0.013 . 1 . . . A 72 LEU C . 18179 1 178 . 1 1 37 37 LEU CA C 13 52.656 0.056 . 1 . . . A 72 LEU CA . 18179 1 179 . 1 1 37 37 LEU CB C 13 45.220 0.033 . 1 . . . A 72 LEU CB . 18179 1 180 . 1 1 37 37 LEU CD1 C 13 24.889 0.017 . 1 . . . A 72 LEU CD1 . 18179 1 181 . 1 1 37 37 LEU CD2 C 13 26.844 0.016 . 1 . . . A 72 LEU CD2 . 18179 1 182 . 1 1 37 37 LEU N N 15 122.894 0.046 . 1 . . . A 72 LEU N . 18179 1 183 . 1 1 38 38 MET H H 1 8.965 0.009 . 1 . . . A 73 MET H . 18179 1 184 . 1 1 38 38 MET C C 13 172.488 0.008 . 1 . . . A 73 MET C . 18179 1 185 . 1 1 38 38 MET CA C 13 54.806 0.043 . 1 . . . A 73 MET CA . 18179 1 186 . 1 1 38 38 MET CB C 13 35.127 0.087 . 1 . . . A 73 MET CB . 18179 1 187 . 1 1 38 38 MET N N 15 128.922 0.037 . 1 . . . A 73 MET N . 18179 1 188 . 1 1 39 39 ILE H H 1 8.727 0.005 . 1 . . . A 74 ILE H . 18179 1 189 . 1 1 39 39 ILE HA H 1 4.819 0.013 . 1 . . . A 74 ILE HA . 18179 1 190 . 1 1 39 39 ILE HB H 1 1.411 0.023 . 1 . . . A 74 ILE HB . 18179 1 191 . 1 1 39 39 ILE HG21 H 1 0.123 0.009 . 1 . . . A 74 ILE HG21 . 18179 1 192 . 1 1 39 39 ILE HG22 H 1 0.123 0.009 . 1 . . . A 74 ILE HG22 . 18179 1 193 . 1 1 39 39 ILE HG23 H 1 0.123 0.009 . 1 . . . A 74 ILE HG23 . 18179 1 194 . 1 1 39 39 ILE HD11 H 1 0.763 0.022 . 1 . . . A 74 ILE HD11 . 18179 1 195 . 1 1 39 39 ILE HD12 H 1 0.763 0.022 . 1 . . . A 74 ILE HD12 . 18179 1 196 . 1 1 39 39 ILE HD13 H 1 0.763 0.022 . 1 . . . A 74 ILE HD13 . 18179 1 197 . 1 1 39 39 ILE C C 13 175.018 0.010 . 1 . . . A 74 ILE C . 18179 1 198 . 1 1 39 39 ILE CA C 13 59.688 0.004 . 1 . . . A 74 ILE CA . 18179 1 199 . 1 1 39 39 ILE CB C 13 40.407 0.031 . 1 . . . A 74 ILE CB . 18179 1 200 . 1 1 39 39 ILE CG2 C 13 17.658 0.098 . 1 . . . A 74 ILE CG2 . 18179 1 201 . 1 1 39 39 ILE CD1 C 13 16.436 0.101 . 1 . . . A 74 ILE CD1 . 18179 1 202 . 1 1 39 39 ILE N N 15 124.016 0.034 . 1 . . . A 74 ILE N . 18179 1 203 . 1 1 40 40 ILE H H 1 8.587 0.003 . 1 . . . A 75 ILE H . 18179 1 204 . 1 1 40 40 ILE HA H 1 4.038 0.015 . 1 . . . A 75 ILE HA . 18179 1 205 . 1 1 40 40 ILE HB H 1 0.654 0.018 . 1 . . . A 75 ILE HB . 18179 1 206 . 1 1 40 40 ILE HG12 H 1 1.014 0.009 . 1 . . . A 75 ILE HG12 . 18179 1 207 . 1 1 40 40 ILE HG13 H 1 0.122 0.010 . 1 . . . A 75 ILE HG13 . 18179 1 208 . 1 1 40 40 ILE HG21 H 1 -0.930 0.004 . 1 . . . A 75 ILE HG21 . 18179 1 209 . 1 1 40 40 ILE HG22 H 1 -0.930 0.004 . 1 . . . A 75 ILE HG22 . 18179 1 210 . 1 1 40 40 ILE HG23 H 1 -0.930 0.004 . 1 . . . A 75 ILE HG23 . 18179 1 211 . 1 1 40 40 ILE HD11 H 1 -0.036 0.006 . 1 . . . A 75 ILE HD11 . 18179 1 212 . 1 1 40 40 ILE HD12 H 1 -0.036 0.006 . 1 . . . A 75 ILE HD12 . 18179 1 213 . 1 1 40 40 ILE HD13 H 1 -0.036 0.006 . 1 . . . A 75 ILE HD13 . 18179 1 214 . 1 1 40 40 ILE C C 13 175.282 0.000 . 1 . . . A 75 ILE C . 18179 1 215 . 1 1 40 40 ILE CA C 13 60.408 0.055 . 1 . . . A 75 ILE CA . 18179 1 216 . 1 1 40 40 ILE CB C 13 40.028 0.073 . 1 . . . A 75 ILE CB . 18179 1 217 . 1 1 40 40 ILE CG1 C 13 27.075 0.020 . 1 . . . A 75 ILE CG1 . 18179 1 218 . 1 1 40 40 ILE CG2 C 13 15.265 0.020 . 1 . . . A 75 ILE CG2 . 18179 1 219 . 1 1 40 40 ILE CD1 C 13 14.283 0.011 . 1 . . . A 75 ILE CD1 . 18179 1 220 . 1 1 40 40 ILE N N 15 126.837 0.060 . 1 . . . A 75 ILE N . 18179 1 221 . 1 1 41 41 HIS H H 1 9.145 0.011 . 1 . . . A 76 HIS H . 18179 1 222 . 1 1 41 41 HIS CA C 13 56.453 0.038 . 1 . . . A 76 HIS CA . 18179 1 223 . 1 1 41 41 HIS CB C 13 29.368 0.000 . 1 . . . A 76 HIS CB . 18179 1 224 . 1 1 41 41 HIS N N 15 128.633 0.051 . 1 . . . A 76 HIS N . 18179 1 225 . 1 1 42 42 HIS HA H 1 4.822 0.013 . 1 . . . A 77 HIS HA . 18179 1 226 . 1 1 42 42 HIS HB2 H 1 3.121 0.011 . 1 . . . A 77 HIS HB2 . 18179 1 227 . 1 1 42 42 HIS HB3 H 1 3.121 0.011 . 1 . . . A 77 HIS HB3 . 18179 1 228 . 1 1 42 42 HIS C C 13 170.942 0.000 . 1 . . . A 77 HIS C . 18179 1 229 . 1 1 42 42 HIS CA C 13 54.441 0.000 . 1 . . . A 77 HIS CA . 18179 1 230 . 1 1 42 42 HIS CB C 13 34.768 0.000 . 1 . . . A 77 HIS CB . 18179 1 231 . 1 1 43 43 LEU H H 1 7.077 0.005 . 1 . . . A 78 LEU H . 18179 1 232 . 1 1 43 43 LEU HA H 1 4.540 0.009 . 1 . . . A 78 LEU HA . 18179 1 233 . 1 1 43 43 LEU HB2 H 1 1.487 0.006 . 1 . . . A 78 LEU HB2 . 18179 1 234 . 1 1 43 43 LEU HB3 H 1 1.488 0.008 . 1 . . . A 78 LEU HB3 . 18179 1 235 . 1 1 43 43 LEU HD21 H 1 0.976 0.023 . 1 . . . A 78 LEU HD21 . 18179 1 236 . 1 1 43 43 LEU HD22 H 1 0.976 0.023 . 1 . . . A 78 LEU HD22 . 18179 1 237 . 1 1 43 43 LEU HD23 H 1 0.976 0.023 . 1 . . . A 78 LEU HD23 . 18179 1 238 . 1 1 43 43 LEU C C 13 177.855 0.009 . 1 . . . A 78 LEU C . 18179 1 239 . 1 1 43 43 LEU CA C 13 54.020 0.061 . 1 . . . A 78 LEU CA . 18179 1 240 . 1 1 43 43 LEU CB C 13 46.643 0.026 . 1 . . . A 78 LEU CB . 18179 1 241 . 1 1 43 43 LEU CD2 C 13 23.736 0.000 . 1 . . . A 78 LEU CD2 . 18179 1 242 . 1 1 43 43 LEU N N 15 114.526 0.042 . 1 . . . A 78 LEU N . 18179 1 243 . 1 1 44 44 ASP H H 1 8.783 0.009 . 1 . . . A 79 ASP H . 18179 1 244 . 1 1 44 44 ASP HA H 1 4.452 0.014 . 1 . . . A 79 ASP HA . 18179 1 245 . 1 1 44 44 ASP HB2 H 1 2.548 0.011 . 1 . . . A 79 ASP HB2 . 18179 1 246 . 1 1 44 44 ASP HB3 H 1 2.546 0.010 . 1 . . . A 79 ASP HB3 . 18179 1 247 . 1 1 44 44 ASP C C 13 177.872 0.000 . 1 . . . A 79 ASP C . 18179 1 248 . 1 1 44 44 ASP CA C 13 57.458 0.039 . 1 . . . A 79 ASP CA . 18179 1 249 . 1 1 44 44 ASP CB C 13 40.739 0.023 . 1 . . . A 79 ASP CB . 18179 1 250 . 1 1 44 44 ASP N N 15 123.675 0.038 . 1 . . . A 79 ASP N . 18179 1 251 . 1 1 45 45 GLU H H 1 9.146 0.015 . 1 . . . A 80 GLU H . 18179 1 252 . 1 1 45 45 GLU HA H 1 4.156 0.005 . 1 . . . A 80 GLU HA . 18179 1 253 . 1 1 45 45 GLU HB2 H 1 2.067 0.021 . 1 . . . A 80 GLU HB2 . 18179 1 254 . 1 1 45 45 GLU HB3 H 1 1.982 0.023 . 1 . . . A 80 GLU HB3 . 18179 1 255 . 1 1 45 45 GLU HG2 H 1 2.155 0.017 . 1 . . . A 80 GLU HG2 . 18179 1 256 . 1 1 45 45 GLU HG3 H 1 2.153 0.023 . 1 . . . A 80 GLU HG3 . 18179 1 257 . 1 1 45 45 GLU C C 13 175.108 0.025 . 1 . . . A 80 GLU C . 18179 1 258 . 1 1 45 45 GLU CA C 13 56.661 0.076 . 1 . . . A 80 GLU CA . 18179 1 259 . 1 1 45 45 GLU CB C 13 28.604 0.064 . 1 . . . A 80 GLU CB . 18179 1 260 . 1 1 45 45 GLU CG C 13 36.054 0.017 . 1 . . . A 80 GLU CG . 18179 1 261 . 1 1 45 45 GLU N N 15 115.578 0.050 . 1 . . . A 80 GLU N . 18179 1 262 . 1 1 46 46 CYS H H 1 7.146 0.005 . 1 . . . A 81 CYS H . 18179 1 263 . 1 1 46 46 CYS HA H 1 4.814 0.008 . 1 . . . A 81 CYS HA . 18179 1 264 . 1 1 46 46 CYS HB2 H 1 3.145 0.011 . 1 . . . A 81 CYS HB2 . 18179 1 265 . 1 1 46 46 CYS HB3 H 1 2.885 0.014 . 1 . . . A 81 CYS HB3 . 18179 1 266 . 1 1 46 46 CYS C C 13 175.453 0.000 . 1 . . . A 81 CYS C . 18179 1 267 . 1 1 46 46 CYS CA C 13 56.298 0.066 . 1 . . . A 81 CYS CA . 18179 1 268 . 1 1 46 46 CYS CB C 13 30.378 0.060 . 1 . . . A 81 CYS CB . 18179 1 269 . 1 1 46 46 CYS N N 15 125.642 0.025 . 1 . . . A 81 CYS N . 18179 1 270 . 1 1 47 47 PRO HA H 1 4.311 0.009 . 1 . . . A 82 PRO HA . 18179 1 271 . 1 1 47 47 PRO HB2 H 1 2.261 0.004 . 1 . . . A 82 PRO HB2 . 18179 1 272 . 1 1 47 47 PRO HG2 H 1 2.013 0.005 . 1 . . . A 82 PRO HG2 . 18179 1 273 . 1 1 47 47 PRO HG3 H 1 1.719 0.026 . 1 . . . A 82 PRO HG3 . 18179 1 274 . 1 1 47 47 PRO CA C 13 64.536 0.028 . 1 . . . A 82 PRO CA . 18179 1 275 . 1 1 47 47 PRO CB C 13 32.069 0.035 . 1 . . . A 82 PRO CB . 18179 1 276 . 1 1 47 47 PRO CG C 13 27.000 0.027 . 1 . . . A 82 PRO CG . 18179 1 277 . 1 1 48 48 HIS H H 1 8.936 0.006 . 1 . . . A 83 HIS H . 18179 1 278 . 1 1 48 48 HIS HA H 1 4.511 0.004 . 1 . . . A 83 HIS HA . 18179 1 279 . 1 1 48 48 HIS HB2 H 1 3.359 0.022 . 1 . . . A 83 HIS HB2 . 18179 1 280 . 1 1 48 48 HIS HB3 H 1 3.300 0.023 . 1 . . . A 83 HIS HB3 . 18179 1 281 . 1 1 48 48 HIS C C 13 178.820 0.002 . 1 . . . A 83 HIS C . 18179 1 282 . 1 1 48 48 HIS CA C 13 59.042 0.079 . 1 . . . A 83 HIS CA . 18179 1 283 . 1 1 48 48 HIS CB C 13 28.921 0.030 . 1 . . . A 83 HIS CB . 18179 1 284 . 1 1 48 48 HIS N N 15 124.416 0.049 . 1 . . . A 83 HIS N . 18179 1 285 . 1 1 49 49 SER H H 1 11.408 0.012 . 1 . . . A 84 SER H . 18179 1 286 . 1 1 49 49 SER HA H 1 4.152 0.012 . 1 . . . A 84 SER HA . 18179 1 287 . 1 1 49 49 SER HB2 H 1 4.839 0.019 . 1 . . . A 84 SER HB2 . 18179 1 288 . 1 1 49 49 SER HB3 H 1 4.839 0.019 . 1 . . . A 84 SER HB3 . 18179 1 289 . 1 1 49 49 SER C C 13 175.397 0.000 . 1 . . . A 84 SER C . 18179 1 290 . 1 1 49 49 SER CA C 13 63.873 0.028 . 1 . . . A 84 SER CA . 18179 1 291 . 1 1 49 49 SER CB C 13 65.516 0.000 . 1 . . . A 84 SER CB . 18179 1 292 . 1 1 49 49 SER N N 15 129.973 0.043 . 1 . . . A 84 SER N . 18179 1 293 . 1 1 50 50 GLN H H 1 8.192 0.007 . 1 . . . A 85 GLN H . 18179 1 294 . 1 1 50 50 GLN HA H 1 3.701 0.005 . 1 . . . A 85 GLN HA . 18179 1 295 . 1 1 50 50 GLN HB2 H 1 2.025 0.012 . 1 . . . A 85 GLN HB2 . 18179 1 296 . 1 1 50 50 GLN HB3 H 1 1.901 0.006 . 1 . . . A 85 GLN HB3 . 18179 1 297 . 1 1 50 50 GLN HG2 H 1 2.593 0.019 . 1 . . . A 85 GLN HG2 . 18179 1 298 . 1 1 50 50 GLN HG3 H 1 2.467 0.023 . 1 . . . A 85 GLN HG3 . 18179 1 299 . 1 1 50 50 GLN C C 13 178.213 0.000 . 1 . . . A 85 GLN C . 18179 1 300 . 1 1 50 50 GLN CA C 13 58.201 0.041 . 1 . . . A 85 GLN CA . 18179 1 301 . 1 1 50 50 GLN CB C 13 27.294 0.023 . 1 . . . A 85 GLN CB . 18179 1 302 . 1 1 50 50 GLN CG C 13 32.981 0.034 . 1 . . . A 85 GLN CG . 18179 1 303 . 1 1 50 50 GLN N N 15 118.214 0.034 . 1 . . . A 85 GLN N . 18179 1 304 . 1 1 51 51 ALA H H 1 7.748 0.009 . 1 . . . A 86 ALA H . 18179 1 305 . 1 1 51 51 ALA HA H 1 4.099 0.008 . 1 . . . A 86 ALA HA . 18179 1 306 . 1 1 51 51 ALA HB1 H 1 1.511 0.005 . 1 . . . A 86 ALA HB1 . 18179 1 307 . 1 1 51 51 ALA HB2 H 1 1.511 0.005 . 1 . . . A 86 ALA HB2 . 18179 1 308 . 1 1 51 51 ALA HB3 H 1 1.511 0.005 . 1 . . . A 86 ALA HB3 . 18179 1 309 . 1 1 51 51 ALA C C 13 180.512 0.023 . 1 . . . A 86 ALA C . 18179 1 310 . 1 1 51 51 ALA CA C 13 54.742 0.022 . 1 . . . A 86 ALA CA . 18179 1 311 . 1 1 51 51 ALA CB C 13 18.559 0.040 . 1 . . . A 86 ALA CB . 18179 1 312 . 1 1 51 51 ALA N N 15 121.790 0.052 . 1 . . . A 86 ALA N . 18179 1 313 . 1 1 52 52 LEU H H 1 7.918 0.012 . 1 . . . A 87 LEU H . 18179 1 314 . 1 1 52 52 LEU HA H 1 4.076 0.010 . 1 . . . A 87 LEU HA . 18179 1 315 . 1 1 52 52 LEU HB2 H 1 2.050 0.014 . 1 . . . A 87 LEU HB2 . 18179 1 316 . 1 1 52 52 LEU HB3 H 1 2.050 0.014 . 1 . . . A 87 LEU HB3 . 18179 1 317 . 1 1 52 52 LEU HD11 H 1 0.791 0.002 . 1 . . . A 87 LEU HD11 . 18179 1 318 . 1 1 52 52 LEU HD12 H 1 0.791 0.002 . 1 . . . A 87 LEU HD12 . 18179 1 319 . 1 1 52 52 LEU HD13 H 1 0.791 0.002 . 1 . . . A 87 LEU HD13 . 18179 1 320 . 1 1 52 52 LEU HD21 H 1 1.127 0.007 . 1 . . . A 87 LEU HD21 . 18179 1 321 . 1 1 52 52 LEU HD22 H 1 1.127 0.007 . 1 . . . A 87 LEU HD22 . 18179 1 322 . 1 1 52 52 LEU HD23 H 1 1.127 0.007 . 1 . . . A 87 LEU HD23 . 18179 1 323 . 1 1 52 52 LEU CA C 13 57.266 0.042 . 1 . . . A 87 LEU CA . 18179 1 324 . 1 1 52 52 LEU CB C 13 41.947 0.025 . 1 . . . A 87 LEU CB . 18179 1 325 . 1 1 52 52 LEU CD1 C 13 21.979 0.015 . 1 . . . A 87 LEU CD1 . 18179 1 326 . 1 1 52 52 LEU CD2 C 13 26.110 0.027 . 1 . . . A 87 LEU CD2 . 18179 1 327 . 1 1 52 52 LEU N N 15 118.528 0.031 . 1 . . . A 87 LEU N . 18179 1 328 . 1 1 53 53 LYS H H 1 7.932 0.009 . 1 . . . A 88 LYS H . 18179 1 329 . 1 1 53 53 LYS N N 15 120.398 0.000 . 1 . . . A 88 LYS N . 18179 1 330 . 1 1 54 54 LYS H H 1 6.889 0.008 . 1 . . . A 89 LYS H . 18179 1 331 . 1 1 54 54 LYS HA H 1 3.790 0.018 . 1 . . . A 89 LYS HA . 18179 1 332 . 1 1 54 54 LYS C C 13 178.614 0.000 . 1 . . . A 89 LYS C . 18179 1 333 . 1 1 54 54 LYS CA C 13 59.308 0.029 . 1 . . . A 89 LYS CA . 18179 1 334 . 1 1 54 54 LYS CB C 13 32.530 0.000 . 1 . . . A 89 LYS CB . 18179 1 335 . 1 1 54 54 LYS N N 15 115.219 0.075 . 1 . . . A 89 LYS N . 18179 1 336 . 1 1 55 55 VAL H H 1 6.748 0.015 . 1 . . . A 90 VAL H . 18179 1 337 . 1 1 55 55 VAL HA H 1 4.049 0.012 . 1 . . . A 90 VAL HA . 18179 1 338 . 1 1 55 55 VAL HB H 1 2.230 0.016 . 1 . . . A 90 VAL HB . 18179 1 339 . 1 1 55 55 VAL HG11 H 1 1.082 0.006 . 1 . . . A 90 VAL HG11 . 18179 1 340 . 1 1 55 55 VAL HG12 H 1 1.082 0.006 . 1 . . . A 90 VAL HG12 . 18179 1 341 . 1 1 55 55 VAL HG13 H 1 1.082 0.006 . 1 . . . A 90 VAL HG13 . 18179 1 342 . 1 1 55 55 VAL HG21 H 1 1.229 0.008 . 1 . . . A 90 VAL HG21 . 18179 1 343 . 1 1 55 55 VAL HG22 H 1 1.229 0.008 . 1 . . . A 90 VAL HG22 . 18179 1 344 . 1 1 55 55 VAL HG23 H 1 1.229 0.008 . 1 . . . A 90 VAL HG23 . 18179 1 345 . 1 1 55 55 VAL C C 13 178.054 0.000 . 1 . . . A 90 VAL C . 18179 1 346 . 1 1 55 55 VAL CA C 13 64.467 0.010 . 1 . . . A 90 VAL CA . 18179 1 347 . 1 1 55 55 VAL CB C 13 31.625 0.010 . 1 . . . A 90 VAL CB . 18179 1 348 . 1 1 55 55 VAL CG1 C 13 22.144 0.015 . 1 . . . A 90 VAL CG1 . 18179 1 349 . 1 1 55 55 VAL CG2 C 13 21.364 0.017 . 1 . . . A 90 VAL CG2 . 18179 1 350 . 1 1 55 55 VAL N N 15 110.991 0.024 . 1 . . . A 90 VAL N . 18179 1 351 . 1 1 56 56 PHE H H 1 8.722 0.010 . 1 . . . A 91 PHE H . 18179 1 352 . 1 1 56 56 PHE HA H 1 3.829 0.013 . 1 . . . A 91 PHE HA . 18179 1 353 . 1 1 56 56 PHE HB2 H 1 3.442 0.013 . 1 . . . A 91 PHE HB2 . 18179 1 354 . 1 1 56 56 PHE HB3 H 1 2.871 0.007 . 1 . . . A 91 PHE HB3 . 18179 1 355 . 1 1 56 56 PHE C C 13 177.496 0.000 . 1 . . . A 91 PHE C . 18179 1 356 . 1 1 56 56 PHE CA C 13 61.854 0.013 . 1 . . . A 91 PHE CA . 18179 1 357 . 1 1 56 56 PHE CB C 13 41.828 0.118 . 1 . . . A 91 PHE CB . 18179 1 358 . 1 1 56 56 PHE N N 15 124.010 0.037 . 1 . . . A 91 PHE N . 18179 1 359 . 1 1 57 57 ALA H H 1 8.695 0.009 . 1 . . . A 92 ALA H . 18179 1 360 . 1 1 57 57 ALA HA H 1 4.185 0.009 . 1 . . . A 92 ALA HA . 18179 1 361 . 1 1 57 57 ALA HB1 H 1 1.389 0.005 . 1 . . . A 92 ALA HB1 . 18179 1 362 . 1 1 57 57 ALA HB2 H 1 1.389 0.005 . 1 . . . A 92 ALA HB2 . 18179 1 363 . 1 1 57 57 ALA HB3 H 1 1.389 0.005 . 1 . . . A 92 ALA HB3 . 18179 1 364 . 1 1 57 57 ALA C C 13 180.660 0.000 . 1 . . . A 92 ALA C . 18179 1 365 . 1 1 57 57 ALA CA C 13 54.288 0.030 . 1 . . . A 92 ALA CA . 18179 1 366 . 1 1 57 57 ALA CB C 13 18.487 0.041 . 1 . . . A 92 ALA CB . 18179 1 367 . 1 1 57 57 ALA N N 15 118.444 0.093 . 1 . . . A 92 ALA N . 18179 1 368 . 1 1 58 58 GLU H H 1 7.108 0.013 . 1 . . . A 93 GLU H . 18179 1 369 . 1 1 58 58 GLU HA H 1 4.156 0.014 . 1 . . . A 93 GLU HA . 18179 1 370 . 1 1 58 58 GLU HB2 H 1 2.095 0.009 . 1 . . . A 93 GLU HB2 . 18179 1 371 . 1 1 58 58 GLU HB3 H 1 1.916 0.004 . 1 . . . A 93 GLU HB3 . 18179 1 372 . 1 1 58 58 GLU HG2 H 1 2.445 0.004 . 1 . . . A 93 GLU HG2 . 18179 1 373 . 1 1 58 58 GLU HG3 H 1 2.232 0.015 . 1 . . . A 93 GLU HG3 . 18179 1 374 . 1 1 58 58 GLU C C 13 175.641 0.014 . 1 . . . A 93 GLU C . 18179 1 375 . 1 1 58 58 GLU CA C 13 55.883 0.031 . 1 . . . A 93 GLU CA . 18179 1 376 . 1 1 58 58 GLU CB C 13 30.495 0.052 . 1 . . . A 93 GLU CB . 18179 1 377 . 1 1 58 58 GLU CG C 13 36.337 0.019 . 1 . . . A 93 GLU CG . 18179 1 378 . 1 1 58 58 GLU N N 15 112.263 0.075 . 1 . . . A 93 GLU N . 18179 1 379 . 1 1 59 59 ASN H H 1 7.269 0.010 . 1 . . . A 94 ASN H . 18179 1 380 . 1 1 59 59 ASN HA H 1 4.590 0.010 . 1 . . . A 94 ASN HA . 18179 1 381 . 1 1 59 59 ASN HB2 H 1 2.845 0.023 . 1 . . . A 94 ASN HB2 . 18179 1 382 . 1 1 59 59 ASN HB3 H 1 2.858 0.012 . 1 . . . A 94 ASN HB3 . 18179 1 383 . 1 1 59 59 ASN C C 13 174.151 0.010 . 1 . . . A 94 ASN C . 18179 1 384 . 1 1 59 59 ASN CA C 13 54.056 0.049 . 1 . . . A 94 ASN CA . 18179 1 385 . 1 1 59 59 ASN CB C 13 38.723 0.024 . 1 . . . A 94 ASN CB . 18179 1 386 . 1 1 59 59 ASN N N 15 120.422 0.043 . 1 . . . A 94 ASN N . 18179 1 387 . 1 1 60 60 LYS H H 1 8.672 0.006 . 1 . . . A 95 LYS H . 18179 1 388 . 1 1 60 60 LYS HA H 1 3.770 0.009 . 1 . . . A 95 LYS HA . 18179 1 389 . 1 1 60 60 LYS HB2 H 1 1.748 0.010 . 1 . . . A 95 LYS HB2 . 18179 1 390 . 1 1 60 60 LYS HB3 H 1 1.747 0.011 . 1 . . . A 95 LYS HB3 . 18179 1 391 . 1 1 60 60 LYS HG2 H 1 1.528 0.013 . 1 . . . A 95 LYS HG2 . 18179 1 392 . 1 1 60 60 LYS HG3 H 1 1.396 0.009 . 1 . . . A 95 LYS HG3 . 18179 1 393 . 1 1 60 60 LYS HE2 H 1 2.967 0.004 . 1 . . . A 95 LYS HE2 . 18179 1 394 . 1 1 60 60 LYS HE3 H 1 2.962 0.006 . 1 . . . A 95 LYS HE3 . 18179 1 395 . 1 1 60 60 LYS C C 13 178.959 0.004 . 1 . . . A 95 LYS C . 18179 1 396 . 1 1 60 60 LYS CA C 13 59.337 0.031 . 1 . . . A 95 LYS CA . 18179 1 397 . 1 1 60 60 LYS CB C 13 32.170 0.037 . 1 . . . A 95 LYS CB . 18179 1 398 . 1 1 60 60 LYS CG C 13 25.121 0.038 . 1 . . . A 95 LYS CG . 18179 1 399 . 1 1 60 60 LYS CE C 13 42.077 0.000 . 1 . . . A 95 LYS CE . 18179 1 400 . 1 1 60 60 LYS N N 15 127.497 0.035 . 1 . . . A 95 LYS N . 18179 1 401 . 1 1 61 61 GLU H H 1 7.988 0.010 . 1 . . . A 96 GLU H . 18179 1 402 . 1 1 61 61 GLU HA H 1 3.984 0.003 . 1 . . . A 96 GLU HA . 18179 1 403 . 1 1 61 61 GLU HB2 H 1 2.173 0.017 . 1 . . . A 96 GLU HB2 . 18179 1 404 . 1 1 61 61 GLU HB3 H 1 1.958 0.007 . 1 . . . A 96 GLU HB3 . 18179 1 405 . 1 1 61 61 GLU HG2 H 1 2.216 0.016 . 1 . . . A 96 GLU HG2 . 18179 1 406 . 1 1 61 61 GLU HG3 H 1 2.232 0.013 . 1 . . . A 96 GLU HG3 . 18179 1 407 . 1 1 61 61 GLU C C 13 179.574 0.000 . 1 . . . A 96 GLU C . 18179 1 408 . 1 1 61 61 GLU CA C 13 59.955 0.038 . 1 . . . A 96 GLU CA . 18179 1 409 . 1 1 61 61 GLU CB C 13 29.246 0.020 . 1 . . . A 96 GLU CB . 18179 1 410 . 1 1 61 61 GLU CG C 13 37.141 0.020 . 1 . . . A 96 GLU CG . 18179 1 411 . 1 1 61 61 GLU N N 15 119.409 0.034 . 1 . . . A 96 GLU N . 18179 1 412 . 1 1 62 62 ILE H H 1 8.484 0.007 . 1 . . . A 97 ILE H . 18179 1 413 . 1 1 62 62 ILE HA H 1 3.224 0.003 . 1 . . . A 97 ILE HA . 18179 1 414 . 1 1 62 62 ILE HB H 1 1.581 0.020 . 1 . . . A 97 ILE HB . 18179 1 415 . 1 1 62 62 ILE HG12 H 1 1.451 0.011 . 1 . . . A 97 ILE HG12 . 18179 1 416 . 1 1 62 62 ILE HG13 H 1 0.721 0.008 . 1 . . . A 97 ILE HG13 . 18179 1 417 . 1 1 62 62 ILE HG21 H 1 -0.189 0.004 . 1 . . . A 97 ILE HG21 . 18179 1 418 . 1 1 62 62 ILE HG22 H 1 -0.189 0.004 . 1 . . . A 97 ILE HG22 . 18179 1 419 . 1 1 62 62 ILE HG23 H 1 -0.189 0.004 . 1 . . . A 97 ILE HG23 . 18179 1 420 . 1 1 62 62 ILE HD11 H 1 0.694 0.013 . 1 . . . A 97 ILE HD11 . 18179 1 421 . 1 1 62 62 ILE HD12 H 1 0.694 0.013 . 1 . . . A 97 ILE HD12 . 18179 1 422 . 1 1 62 62 ILE HD13 H 1 0.694 0.013 . 1 . . . A 97 ILE HD13 . 18179 1 423 . 1 1 62 62 ILE C C 13 177.158 0.000 . 1 . . . A 97 ILE C . 18179 1 424 . 1 1 62 62 ILE CA C 13 65.787 0.030 . 1 . . . A 97 ILE CA . 18179 1 425 . 1 1 62 62 ILE CB C 13 37.710 0.025 . 1 . . . A 97 ILE CB . 18179 1 426 . 1 1 62 62 ILE CG1 C 13 30.503 0.020 . 1 . . . A 97 ILE CG1 . 18179 1 427 . 1 1 62 62 ILE CG2 C 13 15.918 0.009 . 1 . . . A 97 ILE CG2 . 18179 1 428 . 1 1 62 62 ILE CD1 C 13 13.284 0.008 . 1 . . . A 97 ILE CD1 . 18179 1 429 . 1 1 62 62 ILE N N 15 122.621 0.045 . 1 . . . A 97 ILE N . 18179 1 430 . 1 1 63 63 GLN H H 1 8.046 0.012 . 1 . . . A 98 GLN H . 18179 1 431 . 1 1 63 63 GLN HA H 1 3.481 0.005 . 1 . . . A 98 GLN HA . 18179 1 432 . 1 1 63 63 GLN HB2 H 1 2.053 0.006 . 1 . . . A 98 GLN HB2 . 18179 1 433 . 1 1 63 63 GLN HB3 H 1 1.794 0.006 . 1 . . . A 98 GLN HB3 . 18179 1 434 . 1 1 63 63 GLN HG2 H 1 2.071 0.019 . 1 . . . A 98 GLN HG2 . 18179 1 435 . 1 1 63 63 GLN HG3 H 1 2.071 0.019 . 1 . . . A 98 GLN HG3 . 18179 1 436 . 1 1 63 63 GLN C C 13 178.097 0.003 . 1 . . . A 98 GLN C . 18179 1 437 . 1 1 63 63 GLN CA C 13 58.601 0.013 . 1 . . . A 98 GLN CA . 18179 1 438 . 1 1 63 63 GLN CB C 13 28.834 0.050 . 1 . . . A 98 GLN CB . 18179 1 439 . 1 1 63 63 GLN CG C 13 34.569 0.005 . 1 . . . A 98 GLN CG . 18179 1 440 . 1 1 63 63 GLN N N 15 115.619 0.037 . 1 . . . A 98 GLN N . 18179 1 441 . 1 1 64 64 LYS H H 1 7.578 0.012 . 1 . . . A 99 LYS H . 18179 1 442 . 1 1 64 64 LYS HA H 1 4.125 0.011 . 1 . . . A 99 LYS HA . 18179 1 443 . 1 1 64 64 LYS HB2 H 1 1.817 0.013 . 1 . . . A 99 LYS HB2 . 18179 1 444 . 1 1 64 64 LYS HB3 H 1 1.817 0.014 . 1 . . . A 99 LYS HB3 . 18179 1 445 . 1 1 64 64 LYS C C 13 179.740 0.001 . 1 . . . A 99 LYS C . 18179 1 446 . 1 1 64 64 LYS CA C 13 57.955 0.083 . 1 . . . A 99 LYS CA . 18179 1 447 . 1 1 64 64 LYS CB C 13 32.054 0.053 . 1 . . . A 99 LYS CB . 18179 1 448 . 1 1 64 64 LYS N N 15 116.464 0.038 . 1 . . . A 99 LYS N . 18179 1 449 . 1 1 65 65 LEU H H 1 7.916 0.006 . 1 . . . A 100 LEU H . 18179 1 450 . 1 1 65 65 LEU HA H 1 4.128 0.006 . 1 . . . A 100 LEU HA . 18179 1 451 . 1 1 65 65 LEU HB2 H 1 2.045 0.011 . 1 . . . A 100 LEU HB2 . 18179 1 452 . 1 1 65 65 LEU HB3 H 1 1.513 0.009 . 1 . . . A 100 LEU HB3 . 18179 1 453 . 1 1 65 65 LEU HD11 H 1 0.906 0.006 . 1 . . . A 100 LEU HD11 . 18179 1 454 . 1 1 65 65 LEU HD12 H 1 0.906 0.006 . 1 . . . A 100 LEU HD12 . 18179 1 455 . 1 1 65 65 LEU HD13 H 1 0.906 0.006 . 1 . . . A 100 LEU HD13 . 18179 1 456 . 1 1 65 65 LEU HD21 H 1 0.905 0.007 . 1 . . . A 100 LEU HD21 . 18179 1 457 . 1 1 65 65 LEU HD22 H 1 0.905 0.007 . 1 . . . A 100 LEU HD22 . 18179 1 458 . 1 1 65 65 LEU HD23 H 1 0.905 0.007 . 1 . . . A 100 LEU HD23 . 18179 1 459 . 1 1 65 65 LEU C C 13 178.481 0.029 . 1 . . . A 100 LEU C . 18179 1 460 . 1 1 65 65 LEU CA C 13 57.044 0.035 . 1 . . . A 100 LEU CA . 18179 1 461 . 1 1 65 65 LEU CB C 13 41.883 0.063 . 1 . . . A 100 LEU CB . 18179 1 462 . 1 1 65 65 LEU CD1 C 13 23.822 0.011 . 1 . . . A 100 LEU CD1 . 18179 1 463 . 1 1 65 65 LEU CD2 C 13 28.002 0.026 . 1 . . . A 100 LEU CD2 . 18179 1 464 . 1 1 65 65 LEU N N 15 122.576 0.037 . 1 . . . A 100 LEU N . 18179 1 465 . 1 1 66 66 ALA H H 1 8.511 0.005 . 1 . . . A 101 ALA H . 18179 1 466 . 1 1 66 66 ALA HA H 1 3.810 0.014 . 1 . . . A 101 ALA HA . 18179 1 467 . 1 1 66 66 ALA HB1 H 1 1.305 0.009 . 1 . . . A 101 ALA HB1 . 18179 1 468 . 1 1 66 66 ALA HB2 H 1 1.305 0.009 . 1 . . . A 101 ALA HB2 . 18179 1 469 . 1 1 66 66 ALA HB3 H 1 1.305 0.009 . 1 . . . A 101 ALA HB3 . 18179 1 470 . 1 1 66 66 ALA C C 13 177.520 0.000 . 1 . . . A 101 ALA C . 18179 1 471 . 1 1 66 66 ALA CA C 13 54.772 0.025 . 1 . . . A 101 ALA CA . 18179 1 472 . 1 1 66 66 ALA CB C 13 17.737 0.020 . 1 . . . A 101 ALA CB . 18179 1 473 . 1 1 66 66 ALA N N 15 119.534 0.037 . 1 . . . A 101 ALA N . 18179 1 474 . 1 1 67 67 GLU H H 1 7.039 0.017 . 1 . . . A 102 GLU H . 18179 1 475 . 1 1 67 67 GLU HA H 1 4.113 0.006 . 1 . . . A 102 GLU HA . 18179 1 476 . 1 1 67 67 GLU HB2 H 1 2.079 0.024 . 1 . . . A 102 GLU HB2 . 18179 1 477 . 1 1 67 67 GLU HB3 H 1 2.079 0.024 . 1 . . . A 102 GLU HB3 . 18179 1 478 . 1 1 67 67 GLU HG2 H 1 2.557 0.004 . 1 . . . A 102 GLU HG2 . 18179 1 479 . 1 1 67 67 GLU HG3 H 1 2.298 0.003 . 1 . . . A 102 GLU HG3 . 18179 1 480 . 1 1 67 67 GLU C C 13 178.295 0.012 . 1 . . . A 102 GLU C . 18179 1 481 . 1 1 67 67 GLU CA C 13 58.285 0.052 . 1 . . . A 102 GLU CA . 18179 1 482 . 1 1 67 67 GLU CB C 13 29.952 0.051 . 1 . . . A 102 GLU CB . 18179 1 483 . 1 1 67 67 GLU CG C 13 36.328 0.027 . 1 . . . A 102 GLU CG . 18179 1 484 . 1 1 67 67 GLU N N 15 113.081 0.015 . 1 . . . A 102 GLU N . 18179 1 485 . 1 1 68 68 GLN H H 1 8.167 0.007 . 1 . . . A 103 GLN H . 18179 1 486 . 1 1 68 68 GLN HA H 1 4.107 0.014 . 1 . . . A 103 GLN HA . 18179 1 487 . 1 1 68 68 GLN HB2 H 1 2.316 0.015 . 1 . . . A 103 GLN HB2 . 18179 1 488 . 1 1 68 68 GLN HB3 H 1 1.983 0.016 . 1 . . . A 103 GLN HB3 . 18179 1 489 . 1 1 68 68 GLN C C 13 173.173 0.049 . 1 . . . A 103 GLN C . 18179 1 490 . 1 1 68 68 GLN CA C 13 56.094 0.041 . 1 . . . A 103 GLN CA . 18179 1 491 . 1 1 68 68 GLN CB C 13 28.703 0.078 . 1 . . . A 103 GLN CB . 18179 1 492 . 1 1 68 68 GLN N N 15 116.244 0.037 . 1 . . . A 103 GLN N . 18179 1 493 . 1 1 69 69 PHE H H 1 7.633 0.007 . 1 . . . A 104 PHE H . 18179 1 494 . 1 1 69 69 PHE HA H 1 4.645 0.007 . 1 . . . A 104 PHE HA . 18179 1 495 . 1 1 69 69 PHE HB2 H 1 3.077 0.007 . 1 . . . A 104 PHE HB2 . 18179 1 496 . 1 1 69 69 PHE HB3 H 1 2.887 0.016 . 1 . . . A 104 PHE HB3 . 18179 1 497 . 1 1 69 69 PHE C C 13 177.346 0.003 . 1 . . . A 104 PHE C . 18179 1 498 . 1 1 69 69 PHE CA C 13 57.254 0.040 . 1 . . . A 104 PHE CA . 18179 1 499 . 1 1 69 69 PHE CB C 13 40.897 0.040 . 1 . . . A 104 PHE CB . 18179 1 500 . 1 1 69 69 PHE N N 15 116.822 0.055 . 1 . . . A 104 PHE N . 18179 1 501 . 1 1 70 70 VAL H H 1 8.943 0.008 . 1 . . . A 105 VAL H . 18179 1 502 . 1 1 70 70 VAL HA H 1 3.867 0.012 . 1 . . . A 105 VAL HA . 18179 1 503 . 1 1 70 70 VAL HB H 1 1.684 0.013 . 1 . . . A 105 VAL HB . 18179 1 504 . 1 1 70 70 VAL HG11 H 1 1.038 0.016 . 1 . . . A 105 VAL HG11 . 18179 1 505 . 1 1 70 70 VAL HG12 H 1 1.038 0.016 . 1 . . . A 105 VAL HG12 . 18179 1 506 . 1 1 70 70 VAL HG13 H 1 1.038 0.016 . 1 . . . A 105 VAL HG13 . 18179 1 507 . 1 1 70 70 VAL HG21 H 1 0.707 0.006 . 1 . . . A 105 VAL HG21 . 18179 1 508 . 1 1 70 70 VAL HG22 H 1 0.707 0.006 . 1 . . . A 105 VAL HG22 . 18179 1 509 . 1 1 70 70 VAL HG23 H 1 0.707 0.006 . 1 . . . A 105 VAL HG23 . 18179 1 510 . 1 1 70 70 VAL C C 13 174.191 0.029 . 1 . . . A 105 VAL C . 18179 1 511 . 1 1 70 70 VAL CA C 13 63.450 0.018 . 1 . . . A 105 VAL CA . 18179 1 512 . 1 1 70 70 VAL CB C 13 31.566 0.067 . 1 . . . A 105 VAL CB . 18179 1 513 . 1 1 70 70 VAL CG1 C 13 22.290 0.017 . 1 . . . A 105 VAL CG1 . 18179 1 514 . 1 1 70 70 VAL CG2 C 13 21.439 0.034 . 1 . . . A 105 VAL CG2 . 18179 1 515 . 1 1 70 70 VAL N N 15 120.799 0.053 . 1 . . . A 105 VAL N . 18179 1 516 . 1 1 71 71 LEU H H 1 8.432 0.008 . 1 . . . A 106 LEU H . 18179 1 517 . 1 1 71 71 LEU HA H 1 4.850 0.021 . 1 . . . A 106 LEU HA . 18179 1 518 . 1 1 71 71 LEU HG H 1 1.093 0.008 . 1 . . . A 106 LEU HG . 18179 1 519 . 1 1 71 71 LEU HD11 H 1 0.499 0.007 . 1 . . . A 106 LEU HD11 . 18179 1 520 . 1 1 71 71 LEU HD12 H 1 0.499 0.007 . 1 . . . A 106 LEU HD12 . 18179 1 521 . 1 1 71 71 LEU HD13 H 1 0.499 0.007 . 1 . . . A 106 LEU HD13 . 18179 1 522 . 1 1 71 71 LEU HD21 H 1 -0.057 0.004 . 1 . . . A 106 LEU HD21 . 18179 1 523 . 1 1 71 71 LEU HD22 H 1 -0.057 0.004 . 1 . . . A 106 LEU HD22 . 18179 1 524 . 1 1 71 71 LEU HD23 H 1 -0.057 0.004 . 1 . . . A 106 LEU HD23 . 18179 1 525 . 1 1 71 71 LEU CA C 13 53.854 0.031 . 1 . . . A 106 LEU CA . 18179 1 526 . 1 1 71 71 LEU CB C 13 44.478 0.153 . 1 . . . A 106 LEU CB . 18179 1 527 . 1 1 71 71 LEU CG C 13 25.415 0.023 . 1 . . . A 106 LEU CG . 18179 1 528 . 1 1 71 71 LEU CD1 C 13 24.049 0.013 . 1 . . . A 106 LEU CD1 . 18179 1 529 . 1 1 71 71 LEU CD2 C 13 27.354 0.021 . 1 . . . A 106 LEU CD2 . 18179 1 530 . 1 1 71 71 LEU N N 15 129.105 0.048 . 1 . . . A 106 LEU N . 18179 1 531 . 1 1 72 72 LEU H H 1 8.298 0.016 . 1 . . . A 107 LEU H . 18179 1 532 . 1 1 72 72 LEU HD11 H 1 0.747 0.017 . 1 . . . A 107 LEU HD11 . 18179 1 533 . 1 1 72 72 LEU HD12 H 1 0.747 0.017 . 1 . . . A 107 LEU HD12 . 18179 1 534 . 1 1 72 72 LEU HD13 H 1 0.747 0.017 . 1 . . . A 107 LEU HD13 . 18179 1 535 . 1 1 72 72 LEU CD1 C 13 26.892 0.017 . 1 . . . A 107 LEU CD1 . 18179 1 536 . 1 1 72 72 LEU N N 15 123.682 0.030 . 1 . . . A 107 LEU N . 18179 1 537 . 1 1 73 73 ASN H H 1 9.761 0.008 . 1 . . . A 108 ASN H . 18179 1 538 . 1 1 73 73 ASN CA C 13 51.631 0.000 . 1 . . . A 108 ASN CA . 18179 1 539 . 1 1 73 73 ASN CB C 13 41.484 0.000 . 1 . . . A 108 ASN CB . 18179 1 540 . 1 1 73 73 ASN N N 15 125.520 0.071 . 1 . . . A 108 ASN N . 18179 1 541 . 1 1 74 74 LEU H H 1 8.563 0.009 . 1 . . . A 109 LEU H . 18179 1 542 . 1 1 74 74 LEU HD11 H 1 0.479 0.004 . 1 . . . A 109 LEU HD11 . 18179 1 543 . 1 1 74 74 LEU HD12 H 1 0.479 0.004 . 1 . . . A 109 LEU HD12 . 18179 1 544 . 1 1 74 74 LEU HD13 H 1 0.479 0.004 . 1 . . . A 109 LEU HD13 . 18179 1 545 . 1 1 74 74 LEU HD21 H 1 0.249 0.002 . 1 . . . A 109 LEU HD21 . 18179 1 546 . 1 1 74 74 LEU HD22 H 1 0.249 0.002 . 1 . . . A 109 LEU HD22 . 18179 1 547 . 1 1 74 74 LEU HD23 H 1 0.249 0.002 . 1 . . . A 109 LEU HD23 . 18179 1 548 . 1 1 74 74 LEU CD1 C 13 27.004 0.032 . 1 . . . A 109 LEU CD1 . 18179 1 549 . 1 1 74 74 LEU CD2 C 13 26.438 0.040 . 1 . . . A 109 LEU CD2 . 18179 1 550 . 1 1 74 74 LEU N N 15 122.070 0.092 . 1 . . . A 109 LEU N . 18179 1 551 . 1 1 75 75 VAL HA H 1 5.100 0.028 . 1 . . . A 110 VAL HA . 18179 1 552 . 1 1 75 75 VAL HG11 H 1 0.637 0.010 . 1 . . . A 110 VAL HG11 . 18179 1 553 . 1 1 75 75 VAL HG12 H 1 0.637 0.010 . 1 . . . A 110 VAL HG12 . 18179 1 554 . 1 1 75 75 VAL HG13 H 1 0.637 0.010 . 1 . . . A 110 VAL HG13 . 18179 1 555 . 1 1 75 75 VAL HG21 H 1 0.770 0.001 . 1 . . . A 110 VAL HG21 . 18179 1 556 . 1 1 75 75 VAL HG22 H 1 0.770 0.001 . 1 . . . A 110 VAL HG22 . 18179 1 557 . 1 1 75 75 VAL HG23 H 1 0.770 0.001 . 1 . . . A 110 VAL HG23 . 18179 1 558 . 1 1 75 75 VAL CA C 13 59.157 0.015 . 1 . . . A 110 VAL CA . 18179 1 559 . 1 1 75 75 VAL CG1 C 13 18.039 0.032 . 1 . . . A 110 VAL CG1 . 18179 1 560 . 1 1 75 75 VAL CG2 C 13 18.289 0.044 . 1 . . . A 110 VAL CG2 . 18179 1 561 . 1 1 76 76 TYR H H 1 8.255 0.008 . 1 . . . A 111 TYR H . 18179 1 562 . 1 1 76 76 TYR HA H 1 4.569 0.005 . 1 . . . A 111 TYR HA . 18179 1 563 . 1 1 76 76 TYR HB2 H 1 3.057 0.021 . 1 . . . A 111 TYR HB2 . 18179 1 564 . 1 1 76 76 TYR HB3 H 1 3.032 0.017 . 1 . . . A 111 TYR HB3 . 18179 1 565 . 1 1 76 76 TYR C C 13 175.393 0.000 . 1 . . . A 111 TYR C . 18179 1 566 . 1 1 76 76 TYR CA C 13 57.736 0.065 . 1 . . . A 111 TYR CA . 18179 1 567 . 1 1 76 76 TYR CB C 13 39.426 0.104 . 1 . . . A 111 TYR CB . 18179 1 568 . 1 1 76 76 TYR N N 15 120.641 0.030 . 1 . . . A 111 TYR N . 18179 1 569 . 1 1 79 79 THR HA H 1 4.180 0.003 . 1 . . . A 114 THR HA . 18179 1 570 . 1 1 79 79 THR HB H 1 4.566 0.007 . 1 . . . A 114 THR HB . 18179 1 571 . 1 1 79 79 THR HG21 H 1 1.186 0.002 . 1 . . . A 114 THR HG21 . 18179 1 572 . 1 1 79 79 THR HG22 H 1 1.186 0.002 . 1 . . . A 114 THR HG22 . 18179 1 573 . 1 1 79 79 THR HG23 H 1 1.186 0.002 . 1 . . . A 114 THR HG23 . 18179 1 574 . 1 1 79 79 THR CA C 13 61.295 0.058 . 1 . . . A 114 THR CA . 18179 1 575 . 1 1 79 79 THR CB C 13 68.683 0.003 . 1 . . . A 114 THR CB . 18179 1 576 . 1 1 79 79 THR CG2 C 13 21.643 0.050 . 1 . . . A 114 THR CG2 . 18179 1 577 . 1 1 80 80 ASP H H 1 7.746 0.014 . 1 . . . A 115 ASP H . 18179 1 578 . 1 1 80 80 ASP C C 13 177.959 0.000 . 1 . . . A 115 ASP C . 18179 1 579 . 1 1 80 80 ASP CA C 13 53.276 0.000 . 1 . . . A 115 ASP CA . 18179 1 580 . 1 1 80 80 ASP N N 15 121.026 0.129 . 1 . . . A 115 ASP N . 18179 1 581 . 1 1 81 81 LYS H H 1 8.873 0.006 . 1 . . . A 116 LYS H . 18179 1 582 . 1 1 81 81 LYS HA H 1 3.828 0.006 . 1 . . . A 116 LYS HA . 18179 1 583 . 1 1 81 81 LYS HB2 H 1 1.674 0.017 . 1 . . . A 116 LYS HB2 . 18179 1 584 . 1 1 81 81 LYS HB3 H 1 1.576 0.007 . 1 . . . A 116 LYS HB3 . 18179 1 585 . 1 1 81 81 LYS HG2 H 1 1.222 0.010 . 1 . . . A 116 LYS HG2 . 18179 1 586 . 1 1 81 81 LYS HG3 H 1 1.232 0.009 . 1 . . . A 116 LYS HG3 . 18179 1 587 . 1 1 81 81 LYS HD2 H 1 1.500 0.000 . 1 . . . A 116 LYS HD2 . 18179 1 588 . 1 1 81 81 LYS HD3 H 1 1.500 0.000 . 1 . . . A 116 LYS HD3 . 18179 1 589 . 1 1 81 81 LYS C C 13 179.118 0.000 . 1 . . . A 116 LYS C . 18179 1 590 . 1 1 81 81 LYS CA C 13 57.957 0.029 . 1 . . . A 116 LYS CA . 18179 1 591 . 1 1 81 81 LYS CB C 13 31.273 0.031 . 1 . . . A 116 LYS CB . 18179 1 592 . 1 1 81 81 LYS CG C 13 24.594 0.041 . 1 . . . A 116 LYS CG . 18179 1 593 . 1 1 81 81 LYS CD C 13 28.535 0.006 . 1 . . . A 116 LYS CD . 18179 1 594 . 1 1 81 81 LYS N N 15 129.056 0.042 . 1 . . . A 116 LYS N . 18179 1 595 . 1 1 82 82 HIS H H 1 8.707 0.018 . 1 . . . A 117 HIS H . 18179 1 596 . 1 1 82 82 HIS HA H 1 4.290 0.004 . 1 . . . A 117 HIS HA . 18179 1 597 . 1 1 82 82 HIS HB2 H 1 3.285 0.009 . 1 . . . A 117 HIS HB2 . 18179 1 598 . 1 1 82 82 HIS HB3 H 1 3.137 0.009 . 1 . . . A 117 HIS HB3 . 18179 1 599 . 1 1 82 82 HIS C C 13 175.622 0.006 . 1 . . . A 117 HIS C . 18179 1 600 . 1 1 82 82 HIS CA C 13 57.865 0.041 . 1 . . . A 117 HIS CA . 18179 1 601 . 1 1 82 82 HIS CB C 13 27.704 0.041 . 1 . . . A 117 HIS CB . 18179 1 602 . 1 1 82 82 HIS N N 15 116.887 0.030 . 1 . . . A 117 HIS N . 18179 1 603 . 1 1 83 83 LEU H H 1 7.332 0.012 . 1 . . . A 118 LEU H . 18179 1 604 . 1 1 83 83 LEU HA H 1 4.290 0.004 . 1 . . . A 118 LEU HA . 18179 1 605 . 1 1 83 83 LEU HD11 H 1 0.563 0.017 . 1 . . . A 118 LEU HD11 . 18179 1 606 . 1 1 83 83 LEU HD12 H 1 0.563 0.017 . 1 . . . A 118 LEU HD12 . 18179 1 607 . 1 1 83 83 LEU HD13 H 1 0.563 0.017 . 1 . . . A 118 LEU HD13 . 18179 1 608 . 1 1 83 83 LEU HD21 H 1 0.573 0.007 . 1 . . . A 118 LEU HD21 . 18179 1 609 . 1 1 83 83 LEU HD22 H 1 0.573 0.007 . 1 . . . A 118 LEU HD22 . 18179 1 610 . 1 1 83 83 LEU HD23 H 1 0.573 0.007 . 1 . . . A 118 LEU HD23 . 18179 1 611 . 1 1 83 83 LEU C C 13 175.949 0.000 . 1 . . . A 118 LEU C . 18179 1 612 . 1 1 83 83 LEU CA C 13 53.982 0.029 . 1 . . . A 118 LEU CA . 18179 1 613 . 1 1 83 83 LEU CB C 13 41.734 0.000 . 1 . . . A 118 LEU CB . 18179 1 614 . 1 1 83 83 LEU CD1 C 13 26.198 0.029 . 1 . . . A 118 LEU CD1 . 18179 1 615 . 1 1 83 83 LEU CD2 C 13 23.785 0.021 . 1 . . . A 118 LEU CD2 . 18179 1 616 . 1 1 83 83 LEU N N 15 113.733 0.036 . 1 . . . A 118 LEU N . 18179 1 617 . 1 1 84 84 SER H H 1 7.268 0.016 . 1 . . . A 119 SER H . 18179 1 618 . 1 1 84 84 SER HA H 1 4.632 0.026 . 1 . . . A 119 SER HA . 18179 1 619 . 1 1 84 84 SER HB2 H 1 3.490 0.007 . 1 . . . A 119 SER HB2 . 18179 1 620 . 1 1 84 84 SER HB3 H 1 3.130 0.012 . 1 . . . A 119 SER HB3 . 18179 1 621 . 1 1 84 84 SER C C 13 173.830 0.000 . 1 . . . A 119 SER C . 18179 1 622 . 1 1 84 84 SER CA C 13 55.581 0.049 . 1 . . . A 119 SER CA . 18179 1 623 . 1 1 84 84 SER CB C 13 62.367 0.028 . 1 . . . A 119 SER CB . 18179 1 624 . 1 1 84 84 SER N N 15 111.979 0.040 . 1 . . . A 119 SER N . 18179 1 625 . 1 1 85 85 PRO HA H 1 4.384 0.007 . 1 . . . A 120 PRO HA . 18179 1 626 . 1 1 85 85 PRO HB2 H 1 2.265 0.003 . 1 . . . A 120 PRO HB2 . 18179 1 627 . 1 1 85 85 PRO HB3 H 1 2.034 0.012 . 1 . . . A 120 PRO HB3 . 18179 1 628 . 1 1 85 85 PRO HG2 H 1 1.767 0.006 . 1 . . . A 120 PRO HG2 . 18179 1 629 . 1 1 85 85 PRO HG3 H 1 1.923 0.009 . 1 . . . A 120 PRO HG3 . 18179 1 630 . 1 1 85 85 PRO HD2 H 1 3.344 0.010 . 1 . . . A 120 PRO HD2 . 18179 1 631 . 1 1 85 85 PRO HD3 H 1 3.355 0.013 . 1 . . . A 120 PRO HD3 . 18179 1 632 . 1 1 85 85 PRO C C 13 177.881 0.000 . 1 . . . A 120 PRO C . 18179 1 633 . 1 1 85 85 PRO CA C 13 65.292 0.036 . 1 . . . A 120 PRO CA . 18179 1 634 . 1 1 85 85 PRO CB C 13 31.942 0.009 . 1 . . . A 120 PRO CB . 18179 1 635 . 1 1 85 85 PRO CG C 13 28.028 0.020 . 1 . . . A 120 PRO CG . 18179 1 636 . 1 1 85 85 PRO CD C 13 49.751 0.054 . 1 . . . A 120 PRO CD . 18179 1 637 . 1 1 86 86 ASP H H 1 8.882 0.006 . 1 . . . A 121 ASP H . 18179 1 638 . 1 1 86 86 ASP HA H 1 4.960 0.003 . 1 . . . A 121 ASP HA . 18179 1 639 . 1 1 86 86 ASP HB2 H 1 3.011 0.004 . 1 . . . A 121 ASP HB2 . 18179 1 640 . 1 1 86 86 ASP HB3 H 1 2.545 0.003 . 1 . . . A 121 ASP HB3 . 18179 1 641 . 1 1 86 86 ASP C C 13 174.734 0.004 . 1 . . . A 121 ASP C . 18179 1 642 . 1 1 86 86 ASP CA C 13 51.999 0.024 . 1 . . . A 121 ASP CA . 18179 1 643 . 1 1 86 86 ASP CB C 13 40.327 0.053 . 1 . . . A 121 ASP CB . 18179 1 644 . 1 1 86 86 ASP N N 15 117.614 0.039 . 1 . . . A 121 ASP N . 18179 1 645 . 1 1 87 87 GLY H H 1 6.973 0.007 . 1 . . . A 122 GLY H . 18179 1 646 . 1 1 87 87 GLY HA2 H 1 4.764 0.010 . 1 . . . A 122 GLY HA2 . 18179 1 647 . 1 1 87 87 GLY HA3 H 1 3.698 0.009 . 1 . . . A 122 GLY HA3 . 18179 1 648 . 1 1 87 87 GLY C C 13 173.401 0.006 . 1 . . . A 122 GLY C . 18179 1 649 . 1 1 87 87 GLY CA C 13 43.814 0.039 . 1 . . . A 122 GLY CA . 18179 1 650 . 1 1 87 87 GLY N N 15 106.815 0.036 . 1 . . . A 122 GLY N . 18179 1 651 . 1 1 88 88 GLN H H 1 8.224 0.008 . 1 . . . A 123 GLN H . 18179 1 652 . 1 1 88 88 GLN HA H 1 3.984 0.006 . 1 . . . A 123 GLN HA . 18179 1 653 . 1 1 88 88 GLN C C 13 174.141 0.004 . 1 . . . A 123 GLN C . 18179 1 654 . 1 1 88 88 GLN CA C 13 54.717 0.053 . 1 . . . A 123 GLN CA . 18179 1 655 . 1 1 88 88 GLN CB C 13 27.267 0.050 . 1 . . . A 123 GLN CB . 18179 1 656 . 1 1 88 88 GLN N N 15 118.319 0.041 . 1 . . . A 123 GLN N . 18179 1 657 . 1 1 89 89 TYR H H 1 5.954 0.009 . 1 . . . A 124 TYR H . 18179 1 658 . 1 1 89 89 TYR HA H 1 4.596 0.007 . 1 . . . A 124 TYR HA . 18179 1 659 . 1 1 89 89 TYR C C 13 173.402 0.005 . 1 . . . A 124 TYR C . 18179 1 660 . 1 1 89 89 TYR CA C 13 54.672 0.069 . 1 . . . A 124 TYR CA . 18179 1 661 . 1 1 89 89 TYR CB C 13 38.970 0.000 . 1 . . . A 124 TYR CB . 18179 1 662 . 1 1 89 89 TYR N N 15 117.220 0.038 . 1 . . . A 124 TYR N . 18179 1 663 . 1 1 90 90 VAL H H 1 8.303 0.010 . 1 . . . A 125 VAL H . 18179 1 664 . 1 1 90 90 VAL HA H 1 4.572 0.008 . 1 . . . A 125 VAL HA . 18179 1 665 . 1 1 90 90 VAL HB H 1 2.040 0.011 . 1 . . . A 125 VAL HB . 18179 1 666 . 1 1 90 90 VAL HG11 H 1 0.597 0.009 . 1 . . . A 125 VAL HG11 . 18179 1 667 . 1 1 90 90 VAL HG12 H 1 0.597 0.009 . 1 . . . A 125 VAL HG12 . 18179 1 668 . 1 1 90 90 VAL HG13 H 1 0.597 0.009 . 1 . . . A 125 VAL HG13 . 18179 1 669 . 1 1 90 90 VAL HG21 H 1 0.954 0.006 . 1 . . . A 125 VAL HG21 . 18179 1 670 . 1 1 90 90 VAL HG22 H 1 0.954 0.006 . 1 . . . A 125 VAL HG22 . 18179 1 671 . 1 1 90 90 VAL HG23 H 1 0.954 0.006 . 1 . . . A 125 VAL HG23 . 18179 1 672 . 1 1 90 90 VAL C C 13 173.254 0.000 . 1 . . . A 125 VAL C . 18179 1 673 . 1 1 90 90 VAL CA C 13 57.982 0.018 . 1 . . . A 125 VAL CA . 18179 1 674 . 1 1 90 90 VAL CB C 13 35.376 0.019 . 1 . . . A 125 VAL CB . 18179 1 675 . 1 1 90 90 VAL CG1 C 13 22.617 0.061 . 1 . . . A 125 VAL CG1 . 18179 1 676 . 1 1 90 90 VAL CG2 C 13 18.160 0.012 . 1 . . . A 125 VAL CG2 . 18179 1 677 . 1 1 90 90 VAL N N 15 109.249 0.027 . 1 . . . A 125 VAL N . 18179 1 678 . 1 1 92 92 ARG HA H 1 5.178 0.003 . 1 . . . A 127 ARG HA . 18179 1 679 . 1 1 92 92 ARG CA C 13 55.689 0.012 . 1 . . . A 127 ARG CA . 18179 1 680 . 1 1 93 93 ILE H H 1 9.099 0.008 . 1 . . . A 128 ILE H . 18179 1 681 . 1 1 93 93 ILE HA H 1 5.088 0.017 . 1 . . . A 128 ILE HA . 18179 1 682 . 1 1 93 93 ILE HB H 1 1.798 0.022 . 1 . . . A 128 ILE HB . 18179 1 683 . 1 1 93 93 ILE HG12 H 1 0.673 0.019 . 1 . . . A 128 ILE HG12 . 18179 1 684 . 1 1 93 93 ILE HG13 H 1 0.673 0.019 . 1 . . . A 128 ILE HG13 . 18179 1 685 . 1 1 93 93 ILE HG21 H 1 0.106 0.004 . 1 . . . A 128 ILE HG21 . 18179 1 686 . 1 1 93 93 ILE HG22 H 1 0.106 0.004 . 1 . . . A 128 ILE HG22 . 18179 1 687 . 1 1 93 93 ILE HG23 H 1 0.106 0.004 . 1 . . . A 128 ILE HG23 . 18179 1 688 . 1 1 93 93 ILE HD11 H 1 0.467 0.005 . 1 . . . A 128 ILE HD11 . 18179 1 689 . 1 1 93 93 ILE HD12 H 1 0.467 0.005 . 1 . . . A 128 ILE HD12 . 18179 1 690 . 1 1 93 93 ILE HD13 H 1 0.467 0.005 . 1 . . . A 128 ILE HD13 . 18179 1 691 . 1 1 93 93 ILE CA C 13 61.063 0.050 . 1 . . . A 128 ILE CA . 18179 1 692 . 1 1 93 93 ILE CB C 13 39.101 0.033 . 1 . . . A 128 ILE CB . 18179 1 693 . 1 1 93 93 ILE CG1 C 13 27.820 0.024 . 1 . . . A 128 ILE CG1 . 18179 1 694 . 1 1 93 93 ILE CG2 C 13 16.735 0.016 . 1 . . . A 128 ILE CG2 . 18179 1 695 . 1 1 93 93 ILE CD1 C 13 13.161 0.021 . 1 . . . A 128 ILE CD1 . 18179 1 696 . 1 1 93 93 ILE N N 15 127.696 0.192 . 1 . . . A 128 ILE N . 18179 1 697 . 1 1 94 94 MET H H 1 8.496 0.010 . 1 . . . A 129 MET H . 18179 1 698 . 1 1 94 94 MET C C 13 174.006 0.000 . 1 . . . A 129 MET C . 18179 1 699 . 1 1 94 94 MET CA C 13 51.503 0.054 . 1 . . . A 129 MET CA . 18179 1 700 . 1 1 94 94 MET CB C 13 34.764 0.000 . 1 . . . A 129 MET CB . 18179 1 701 . 1 1 94 94 MET N N 15 122.683 0.041 . 1 . . . A 129 MET N . 18179 1 702 . 1 1 95 95 PHE H H 1 8.573 0.010 . 1 . . . A 130 PHE H . 18179 1 703 . 1 1 95 95 PHE HA H 1 5.589 0.006 . 1 . . . A 130 PHE HA . 18179 1 704 . 1 1 95 95 PHE HB2 H 1 2.896 0.011 . 1 . . . A 130 PHE HB2 . 18179 1 705 . 1 1 95 95 PHE HB3 H 1 2.896 0.011 . 1 . . . A 130 PHE HB3 . 18179 1 706 . 1 1 95 95 PHE C C 13 174.811 0.050 . 1 . . . A 130 PHE C . 18179 1 707 . 1 1 95 95 PHE CA C 13 56.432 0.046 . 1 . . . A 130 PHE CA . 18179 1 708 . 1 1 95 95 PHE CB C 13 41.941 0.048 . 1 . . . A 130 PHE CB . 18179 1 709 . 1 1 95 95 PHE N N 15 118.014 0.054 . 1 . . . A 130 PHE N . 18179 1 710 . 1 1 96 96 VAL H H 1 9.855 0.008 . 1 . . . A 131 VAL H . 18179 1 711 . 1 1 96 96 VAL HA H 1 4.337 0.010 . 1 . . . A 131 VAL HA . 18179 1 712 . 1 1 96 96 VAL HB H 1 1.984 0.018 . 1 . . . A 131 VAL HB . 18179 1 713 . 1 1 96 96 VAL HG11 H 1 0.821 0.008 . 1 . . . A 131 VAL HG11 . 18179 1 714 . 1 1 96 96 VAL HG12 H 1 0.821 0.008 . 1 . . . A 131 VAL HG12 . 18179 1 715 . 1 1 96 96 VAL HG13 H 1 0.821 0.008 . 1 . . . A 131 VAL HG13 . 18179 1 716 . 1 1 96 96 VAL HG21 H 1 0.835 0.015 . 1 . . . A 131 VAL HG21 . 18179 1 717 . 1 1 96 96 VAL HG22 H 1 0.835 0.015 . 1 . . . A 131 VAL HG22 . 18179 1 718 . 1 1 96 96 VAL HG23 H 1 0.835 0.015 . 1 . . . A 131 VAL HG23 . 18179 1 719 . 1 1 96 96 VAL C C 13 174.303 0.036 . 1 . . . A 131 VAL C . 18179 1 720 . 1 1 96 96 VAL CA C 13 61.405 0.029 . 1 . . . A 131 VAL CA . 18179 1 721 . 1 1 96 96 VAL CB C 13 34.679 0.041 . 1 . . . A 131 VAL CB . 18179 1 722 . 1 1 96 96 VAL CG1 C 13 20.184 0.008 . 1 . . . A 131 VAL CG1 . 18179 1 723 . 1 1 96 96 VAL CG2 C 13 21.965 0.028 . 1 . . . A 131 VAL CG2 . 18179 1 724 . 1 1 96 96 VAL N N 15 122.847 0.045 . 1 . . . A 131 VAL N . 18179 1 725 . 1 1 97 97 ASP H H 1 8.399 0.012 . 1 . . . A 132 ASP H . 18179 1 726 . 1 1 97 97 ASP HA H 1 4.883 0.003 . 1 . . . A 132 ASP HA . 18179 1 727 . 1 1 97 97 ASP HB2 H 1 2.563 0.005 . 1 . . . A 132 ASP HB2 . 18179 1 728 . 1 1 97 97 ASP HB3 H 1 2.562 0.005 . 1 . . . A 132 ASP HB3 . 18179 1 729 . 1 1 97 97 ASP C C 13 174.958 0.000 . 1 . . . A 132 ASP C . 18179 1 730 . 1 1 97 97 ASP CA C 13 53.082 0.044 . 1 . . . A 132 ASP CA . 18179 1 731 . 1 1 97 97 ASP CB C 13 45.484 0.011 . 1 . . . A 132 ASP CB . 18179 1 732 . 1 1 97 97 ASP N N 15 128.042 0.041 . 1 . . . A 132 ASP N . 18179 1 733 . 1 1 98 98 PRO HA H 1 4.566 0.012 . 1 . . . A 133 PRO HA . 18179 1 734 . 1 1 98 98 PRO C C 13 175.650 0.000 . 1 . . . A 133 PRO C . 18179 1 735 . 1 1 98 98 PRO CA C 13 65.207 0.054 . 1 . . . A 133 PRO CA . 18179 1 736 . 1 1 98 98 PRO CB C 13 31.858 0.000 . 1 . . . A 133 PRO CB . 18179 1 737 . 1 1 99 99 SER H H 1 8.154 0.006 . 1 . . . A 134 SER H . 18179 1 738 . 1 1 99 99 SER HA H 1 4.122 0.005 . 1 . . . A 134 SER HA . 18179 1 739 . 1 1 99 99 SER HB2 H 1 4.041 0.000 . 1 . . . A 134 SER HB2 . 18179 1 740 . 1 1 99 99 SER HB3 H 1 4.041 0.000 . 1 . . . A 134 SER HB3 . 18179 1 741 . 1 1 99 99 SER C C 13 175.303 0.000 . 1 . . . A 134 SER C . 18179 1 742 . 1 1 99 99 SER CA C 13 60.237 0.037 . 1 . . . A 134 SER CA . 18179 1 743 . 1 1 99 99 SER CB C 13 64.471 0.021 . 1 . . . A 134 SER CB . 18179 1 744 . 1 1 99 99 SER N N 15 111.171 0.039 . 1 . . . A 134 SER N . 18179 1 745 . 1 1 100 100 LEU H H 1 9.194 0.006 . 1 . . . A 135 LEU H . 18179 1 746 . 1 1 100 100 LEU HA H 1 3.683 0.007 . 1 . . . A 135 LEU HA . 18179 1 747 . 1 1 100 100 LEU HB2 H 1 2.329 0.006 . 1 . . . A 135 LEU HB2 . 18179 1 748 . 1 1 100 100 LEU HB3 H 1 1.422 0.012 . 1 . . . A 135 LEU HB3 . 18179 1 749 . 1 1 100 100 LEU HD11 H 1 0.812 0.012 . 1 . . . A 135 LEU HD11 . 18179 1 750 . 1 1 100 100 LEU HD12 H 1 0.812 0.012 . 1 . . . A 135 LEU HD12 . 18179 1 751 . 1 1 100 100 LEU HD13 H 1 0.812 0.012 . 1 . . . A 135 LEU HD13 . 18179 1 752 . 1 1 100 100 LEU HD21 H 1 0.827 0.013 . 1 . . . A 135 LEU HD21 . 18179 1 753 . 1 1 100 100 LEU HD22 H 1 0.827 0.013 . 1 . . . A 135 LEU HD22 . 18179 1 754 . 1 1 100 100 LEU HD23 H 1 0.827 0.013 . 1 . . . A 135 LEU HD23 . 18179 1 755 . 1 1 100 100 LEU C C 13 175.886 0.005 . 1 . . . A 135 LEU C . 18179 1 756 . 1 1 100 100 LEU CA C 13 56.548 0.030 . 1 . . . A 135 LEU CA . 18179 1 757 . 1 1 100 100 LEU CB C 13 36.922 0.022 . 1 . . . A 135 LEU CB . 18179 1 758 . 1 1 100 100 LEU CD1 C 13 22.638 0.025 . 1 . . . A 135 LEU CD1 . 18179 1 759 . 1 1 100 100 LEU CD2 C 13 25.745 0.055 . 1 . . . A 135 LEU CD2 . 18179 1 760 . 1 1 100 100 LEU N N 15 118.112 0.042 . 1 . . . A 135 LEU N . 18179 1 761 . 1 1 101 101 THR H H 1 7.022 0.006 . 1 . . . A 136 THR H . 18179 1 762 . 1 1 101 101 THR HA H 1 4.191 0.003 . 1 . . . A 136 THR HA . 18179 1 763 . 1 1 101 101 THR HB H 1 3.618 0.008 . 1 . . . A 136 THR HB . 18179 1 764 . 1 1 101 101 THR HG21 H 1 1.064 0.003 . 1 . . . A 136 THR HG21 . 18179 1 765 . 1 1 101 101 THR HG22 H 1 1.064 0.003 . 1 . . . A 136 THR HG22 . 18179 1 766 . 1 1 101 101 THR HG23 H 1 1.064 0.003 . 1 . . . A 136 THR HG23 . 18179 1 767 . 1 1 101 101 THR C C 13 173.771 0.008 . 1 . . . A 136 THR C . 18179 1 768 . 1 1 101 101 THR CA C 13 62.123 0.035 . 1 . . . A 136 THR CA . 18179 1 769 . 1 1 101 101 THR CB C 13 70.407 0.047 . 1 . . . A 136 THR CB . 18179 1 770 . 1 1 101 101 THR CG2 C 13 21.207 0.022 . 1 . . . A 136 THR CG2 . 18179 1 771 . 1 1 101 101 THR N N 15 116.048 0.040 . 1 . . . A 136 THR N . 18179 1 772 . 1 1 102 102 VAL H H 1 9.039 0.006 . 1 . . . A 137 VAL H . 18179 1 773 . 1 1 102 102 VAL HA H 1 3.874 0.013 . 1 . . . A 137 VAL HA . 18179 1 774 . 1 1 102 102 VAL HB H 1 1.978 0.006 . 1 . . . A 137 VAL HB . 18179 1 775 . 1 1 102 102 VAL HG11 H 1 0.798 0.019 . 1 . . . A 137 VAL HG11 . 18179 1 776 . 1 1 102 102 VAL HG12 H 1 0.798 0.019 . 1 . . . A 137 VAL HG12 . 18179 1 777 . 1 1 102 102 VAL HG13 H 1 0.798 0.019 . 1 . . . A 137 VAL HG13 . 18179 1 778 . 1 1 102 102 VAL HG21 H 1 0.897 0.010 . 1 . . . A 137 VAL HG21 . 18179 1 779 . 1 1 102 102 VAL HG22 H 1 0.897 0.010 . 1 . . . A 137 VAL HG22 . 18179 1 780 . 1 1 102 102 VAL HG23 H 1 0.897 0.010 . 1 . . . A 137 VAL HG23 . 18179 1 781 . 1 1 102 102 VAL C C 13 177.079 0.007 . 1 . . . A 137 VAL C . 18179 1 782 . 1 1 102 102 VAL CA C 13 64.163 0.028 . 1 . . . A 137 VAL CA . 18179 1 783 . 1 1 102 102 VAL CB C 13 31.858 0.043 . 1 . . . A 137 VAL CB . 18179 1 784 . 1 1 102 102 VAL CG1 C 13 20.218 0.023 . 1 . . . A 137 VAL CG1 . 18179 1 785 . 1 1 102 102 VAL CG2 C 13 22.562 0.011 . 1 . . . A 137 VAL CG2 . 18179 1 786 . 1 1 102 102 VAL N N 15 129.098 0.041 . 1 . . . A 137 VAL N . 18179 1 787 . 1 1 103 103 ARG H H 1 9.355 0.006 . 1 . . . A 138 ARG H . 18179 1 788 . 1 1 103 103 ARG HA H 1 4.724 0.019 . 1 . . . A 138 ARG HA . 18179 1 789 . 1 1 103 103 ARG C C 13 177.315 0.008 . 1 . . . A 138 ARG C . 18179 1 790 . 1 1 103 103 ARG CA C 13 50.845 0.038 . 1 . . . A 138 ARG CA . 18179 1 791 . 1 1 103 103 ARG CB C 13 25.210 0.000 . 1 . . . A 138 ARG CB . 18179 1 792 . 1 1 103 103 ARG N N 15 128.421 0.042 . 1 . . . A 138 ARG N . 18179 1 793 . 1 1 104 104 ALA H H 1 8.340 0.009 . 1 . . . A 139 ALA H . 18179 1 794 . 1 1 104 104 ALA HA H 1 4.128 0.001 . 1 . . . A 139 ALA HA . 18179 1 795 . 1 1 104 104 ALA HB1 H 1 1.489 0.010 . 1 . . . A 139 ALA HB1 . 18179 1 796 . 1 1 104 104 ALA HB2 H 1 1.489 0.010 . 1 . . . A 139 ALA HB2 . 18179 1 797 . 1 1 104 104 ALA HB3 H 1 1.489 0.010 . 1 . . . A 139 ALA HB3 . 18179 1 798 . 1 1 104 104 ALA C C 13 170.819 0.000 . 1 . . . A 139 ALA C . 18179 1 799 . 1 1 104 104 ALA CA C 13 53.517 0.025 . 1 . . . A 139 ALA CA . 18179 1 800 . 1 1 104 104 ALA CB C 13 18.047 0.026 . 1 . . . A 139 ALA CB . 18179 1 801 . 1 1 104 104 ALA N N 15 130.638 0.049 . 1 . . . A 139 ALA N . 18179 1 802 . 1 1 105 105 ASP H H 1 9.653 0.005 . 1 . . . A 140 ASP H . 18179 1 803 . 1 1 105 105 ASP HA H 1 4.356 0.007 . 1 . . . A 140 ASP HA . 18179 1 804 . 1 1 105 105 ASP HB2 H 1 2.708 0.020 . 1 . . . A 140 ASP HB2 . 18179 1 805 . 1 1 105 105 ASP HB3 H 1 2.681 0.016 . 1 . . . A 140 ASP HB3 . 18179 1 806 . 1 1 105 105 ASP C C 13 175.173 0.000 . 1 . . . A 140 ASP C . 18179 1 807 . 1 1 105 105 ASP CA C 13 54.097 0.068 . 1 . . . A 140 ASP CA . 18179 1 808 . 1 1 105 105 ASP CB C 13 39.219 0.025 . 1 . . . A 140 ASP CB . 18179 1 809 . 1 1 105 105 ASP N N 15 113.599 0.046 . 1 . . . A 140 ASP N . 18179 1 810 . 1 1 106 106 ILE H H 1 7.541 0.004 . 1 . . . A 141 ILE H . 18179 1 811 . 1 1 106 106 ILE HA H 1 4.332 0.016 . 1 . . . A 141 ILE HA . 18179 1 812 . 1 1 106 106 ILE HB H 1 2.157 0.007 . 1 . . . A 141 ILE HB . 18179 1 813 . 1 1 106 106 ILE HG21 H 1 0.708 0.008 . 1 . . . A 141 ILE HG21 . 18179 1 814 . 1 1 106 106 ILE HG22 H 1 0.708 0.008 . 1 . . . A 141 ILE HG22 . 18179 1 815 . 1 1 106 106 ILE HG23 H 1 0.708 0.008 . 1 . . . A 141 ILE HG23 . 18179 1 816 . 1 1 106 106 ILE HD11 H 1 0.489 0.005 . 1 . . . A 141 ILE HD11 . 18179 1 817 . 1 1 106 106 ILE HD12 H 1 0.489 0.005 . 1 . . . A 141 ILE HD12 . 18179 1 818 . 1 1 106 106 ILE HD13 H 1 0.489 0.005 . 1 . . . A 141 ILE HD13 . 18179 1 819 . 1 1 106 106 ILE C C 13 174.778 0.002 . 1 . . . A 141 ILE C . 18179 1 820 . 1 1 106 106 ILE CA C 13 62.464 0.043 . 1 . . . A 141 ILE CA . 18179 1 821 . 1 1 106 106 ILE CB C 13 36.210 0.019 . 1 . . . A 141 ILE CB . 18179 1 822 . 1 1 106 106 ILE CG2 C 13 19.132 0.011 . 1 . . . A 141 ILE CG2 . 18179 1 823 . 1 1 106 106 ILE CD1 C 13 12.708 0.016 . 1 . . . A 141 ILE CD1 . 18179 1 824 . 1 1 106 106 ILE N N 15 122.867 0.036 . 1 . . . A 141 ILE N . 18179 1 825 . 1 1 107 107 THR H H 1 7.816 0.006 . 1 . . . A 142 THR H . 18179 1 826 . 1 1 107 107 THR HA H 1 4.721 0.018 . 1 . . . A 142 THR HA . 18179 1 827 . 1 1 107 107 THR HB H 1 4.418 0.006 . 1 . . . A 142 THR HB . 18179 1 828 . 1 1 107 107 THR HG21 H 1 0.903 0.004 . 1 . . . A 142 THR HG21 . 18179 1 829 . 1 1 107 107 THR HG22 H 1 0.903 0.004 . 1 . . . A 142 THR HG22 . 18179 1 830 . 1 1 107 107 THR HG23 H 1 0.903 0.004 . 1 . . . A 142 THR HG23 . 18179 1 831 . 1 1 107 107 THR C C 13 175.898 0.013 . 1 . . . A 142 THR C . 18179 1 832 . 1 1 107 107 THR CA C 13 59.199 0.013 . 1 . . . A 142 THR CA . 18179 1 833 . 1 1 107 107 THR CB C 13 71.817 0.042 . 1 . . . A 142 THR CB . 18179 1 834 . 1 1 107 107 THR CG2 C 13 21.429 0.008 . 1 . . . A 142 THR CG2 . 18179 1 835 . 1 1 107 107 THR N N 15 117.525 0.037 . 1 . . . A 142 THR N . 18179 1 836 . 1 1 108 108 GLY H H 1 8.891 0.006 . 1 . . . A 143 GLY H . 18179 1 837 . 1 1 108 108 GLY HA2 H 1 4.011 0.004 . 1 . . . A 143 GLY HA2 . 18179 1 838 . 1 1 108 108 GLY HA3 H 1 3.036 0.009 . 1 . . . A 143 GLY HA3 . 18179 1 839 . 1 1 108 108 GLY C C 13 174.389 0.000 . 1 . . . A 143 GLY C . 18179 1 840 . 1 1 108 108 GLY CA C 13 44.291 0.011 . 1 . . . A 143 GLY CA . 18179 1 841 . 1 1 108 108 GLY N N 15 109.853 0.035 . 1 . . . A 143 GLY N . 18179 1 842 . 1 1 109 109 ARG H H 1 8.108 0.006 . 1 . . . A 144 ARG H . 18179 1 843 . 1 1 109 109 ARG HA H 1 4.006 0.002 . 1 . . . A 144 ARG HA . 18179 1 844 . 1 1 109 109 ARG HB2 H 1 0.995 0.011 . 1 . . . A 144 ARG HB2 . 18179 1 845 . 1 1 109 109 ARG HB3 H 1 1.405 0.005 . 1 . . . A 144 ARG HB3 . 18179 1 846 . 1 1 109 109 ARG HG2 H 1 0.923 0.014 . 1 . . . A 144 ARG HG2 . 18179 1 847 . 1 1 109 109 ARG HG3 H 1 0.483 0.002 . 1 . . . A 144 ARG HG3 . 18179 1 848 . 1 1 109 109 ARG HD2 H 1 2.897 0.008 . 1 . . . A 144 ARG HD2 . 18179 1 849 . 1 1 109 109 ARG HD3 H 1 2.861 0.017 . 1 . . . A 144 ARG HD3 . 18179 1 850 . 1 1 109 109 ARG C C 13 176.521 0.000 . 1 . . . A 144 ARG C . 18179 1 851 . 1 1 109 109 ARG CA C 13 55.989 0.030 . 1 . . . A 144 ARG CA . 18179 1 852 . 1 1 109 109 ARG CB C 13 30.851 0.037 . 1 . . . A 144 ARG CB . 18179 1 853 . 1 1 109 109 ARG CG C 13 26.107 0.035 . 1 . . . A 144 ARG CG . 18179 1 854 . 1 1 109 109 ARG CD C 13 43.374 0.020 . 1 . . . A 144 ARG CD . 18179 1 855 . 1 1 109 109 ARG N N 15 116.076 0.029 . 1 . . . A 144 ARG N . 18179 1 856 . 1 1 110 110 TYR H H 1 8.825 0.005 . 1 . . . A 145 TYR H . 18179 1 857 . 1 1 110 110 TYR HA H 1 4.506 0.010 . 1 . . . A 145 TYR HA . 18179 1 858 . 1 1 110 110 TYR HB2 H 1 2.908 0.011 . 1 . . . A 145 TYR HB2 . 18179 1 859 . 1 1 110 110 TYR HB3 H 1 2.908 0.011 . 1 . . . A 145 TYR HB3 . 18179 1 860 . 1 1 110 110 TYR HD1 H 1 6.986 0.022 . 3 . . . A 145 TYR HD1 . 18179 1 861 . 1 1 110 110 TYR HD2 H 1 6.986 0.022 . 3 . . . A 145 TYR HD2 . 18179 1 862 . 1 1 110 110 TYR C C 13 178.395 0.068 . 1 . . . A 145 TYR C . 18179 1 863 . 1 1 110 110 TYR CA C 13 57.217 0.040 . 1 . . . A 145 TYR CA . 18179 1 864 . 1 1 110 110 TYR CB C 13 37.232 0.017 . 1 . . . A 145 TYR CB . 18179 1 865 . 1 1 110 110 TYR N N 15 123.010 0.038 . 1 . . . A 145 TYR N . 18179 1 866 . 1 1 111 111 SER H H 1 8.616 0.004 . 1 . . . A 146 SER H . 18179 1 867 . 1 1 111 111 SER HA H 1 3.948 0.008 . 1 . . . A 146 SER HA . 18179 1 868 . 1 1 111 111 SER HB2 H 1 3.793 0.003 . 1 . . . A 146 SER HB2 . 18179 1 869 . 1 1 111 111 SER HB3 H 1 3.793 0.003 . 1 . . . A 146 SER HB3 . 18179 1 870 . 1 1 111 111 SER C C 13 174.939 0.000 . 1 . . . A 146 SER C . 18179 1 871 . 1 1 111 111 SER CA C 13 60.850 0.024 . 1 . . . A 146 SER CA . 18179 1 872 . 1 1 111 111 SER CB C 13 62.776 0.021 . 1 . . . A 146 SER CB . 18179 1 873 . 1 1 111 111 SER N N 15 120.152 0.060 . 1 . . . A 146 SER N . 18179 1 874 . 1 1 112 112 ASN H H 1 8.374 0.004 . 1 . . . A 147 ASN H . 18179 1 875 . 1 1 112 112 ASN HA H 1 4.558 0.015 . 1 . . . A 147 ASN HA . 18179 1 876 . 1 1 112 112 ASN HB2 H 1 2.826 0.006 . 1 . . . A 147 ASN HB2 . 18179 1 877 . 1 1 112 112 ASN HB3 H 1 2.654 0.002 . 1 . . . A 147 ASN HB3 . 18179 1 878 . 1 1 112 112 ASN HD21 H 1 7.505 0.004 . 1 . . . A 147 ASN HD21 . 18179 1 879 . 1 1 112 112 ASN HD22 H 1 6.725 0.018 . 1 . . . A 147 ASN HD22 . 18179 1 880 . 1 1 112 112 ASN C C 13 173.693 0.016 . 1 . . . A 147 ASN C . 18179 1 881 . 1 1 112 112 ASN CA C 13 53.209 0.035 . 1 . . . A 147 ASN CA . 18179 1 882 . 1 1 112 112 ASN CB C 13 37.534 0.035 . 1 . . . A 147 ASN CB . 18179 1 883 . 1 1 112 112 ASN N N 15 116.146 0.041 . 1 . . . A 147 ASN N . 18179 1 884 . 1 1 112 112 ASN ND2 N 15 112.840 0.050 . 1 . . . A 147 ASN ND2 . 18179 1 885 . 1 1 113 113 ARG H H 1 6.782 0.012 . 1 . . . A 148 ARG H . 18179 1 886 . 1 1 113 113 ARG HA H 1 4.226 0.007 . 1 . . . A 148 ARG HA . 18179 1 887 . 1 1 113 113 ARG HB2 H 1 0.879 0.004 . 1 . . . A 148 ARG HB2 . 18179 1 888 . 1 1 113 113 ARG HB3 H 1 0.682 0.018 . 1 . . . A 148 ARG HB3 . 18179 1 889 . 1 1 113 113 ARG HG2 H 1 1.049 0.004 . 1 . . . A 148 ARG HG2 . 18179 1 890 . 1 1 113 113 ARG HG3 H 1 0.642 0.011 . 1 . . . A 148 ARG HG3 . 18179 1 891 . 1 1 113 113 ARG HD2 H 1 2.324 0.017 . 1 . . . A 148 ARG HD2 . 18179 1 892 . 1 1 113 113 ARG HD3 H 1 2.245 0.015 . 1 . . . A 148 ARG HD3 . 18179 1 893 . 1 1 113 113 ARG C C 13 176.358 0.022 . 1 . . . A 148 ARG C . 18179 1 894 . 1 1 113 113 ARG CA C 13 55.251 0.046 . 1 . . . A 148 ARG CA . 18179 1 895 . 1 1 113 113 ARG CB C 13 30.973 0.024 . 1 . . . A 148 ARG CB . 18179 1 896 . 1 1 113 113 ARG CG C 13 26.772 0.023 . 1 . . . A 148 ARG CG . 18179 1 897 . 1 1 113 113 ARG CD C 13 43.881 0.018 . 1 . . . A 148 ARG CD . 18179 1 898 . 1 1 113 113 ARG N N 15 121.673 0.043 . 1 . . . A 148 ARG N . 18179 1 899 . 1 1 114 114 LEU H H 1 9.976 0.013 . 1 . . . A 149 LEU H . 18179 1 900 . 1 1 114 114 LEU HA H 1 3.776 0.004 . 1 . . . A 149 LEU HA . 18179 1 901 . 1 1 114 114 LEU HB2 H 1 1.058 0.004 . 1 . . . A 149 LEU HB2 . 18179 1 902 . 1 1 114 114 LEU HB3 H 1 0.445 0.004 . 1 . . . A 149 LEU HB3 . 18179 1 903 . 1 1 114 114 LEU HD11 H 1 0.684 0.013 . 1 . . . A 149 LEU HD11 . 18179 1 904 . 1 1 114 114 LEU HD12 H 1 0.684 0.013 . 1 . . . A 149 LEU HD12 . 18179 1 905 . 1 1 114 114 LEU HD13 H 1 0.684 0.013 . 1 . . . A 149 LEU HD13 . 18179 1 906 . 1 1 114 114 LEU C C 13 175.787 0.000 . 1 . . . A 149 LEU C . 18179 1 907 . 1 1 114 114 LEU CA C 13 57.640 0.041 . 1 . . . A 149 LEU CA . 18179 1 908 . 1 1 114 114 LEU CB C 13 43.153 0.034 . 1 . . . A 149 LEU CB . 18179 1 909 . 1 1 114 114 LEU CD1 C 13 23.156 0.029 . 1 . . . A 149 LEU CD1 . 18179 1 910 . 1 1 114 114 LEU N N 15 125.966 0.039 . 1 . . . A 149 LEU N . 18179 1 911 . 1 1 115 115 TYR H H 1 8.272 0.012 . 1 . . . A 150 TYR H . 18179 1 912 . 1 1 115 115 TYR HA H 1 4.947 0.006 . 1 . . . A 150 TYR HA . 18179 1 913 . 1 1 115 115 TYR HB2 H 1 3.867 0.016 . 1 . . . A 150 TYR HB2 . 18179 1 914 . 1 1 115 115 TYR HB3 H 1 2.505 0.006 . 1 . . . A 150 TYR HB3 . 18179 1 915 . 1 1 115 115 TYR C C 13 174.449 0.017 . 1 . . . A 150 TYR C . 18179 1 916 . 1 1 115 115 TYR CA C 13 55.986 0.020 . 1 . . . A 150 TYR CA . 18179 1 917 . 1 1 115 115 TYR CB C 13 38.660 0.039 . 1 . . . A 150 TYR CB . 18179 1 918 . 1 1 115 115 TYR N N 15 115.137 0.036 . 1 . . . A 150 TYR N . 18179 1 919 . 1 1 116 116 ALA H H 1 7.515 0.006 . 1 . . . A 151 ALA H . 18179 1 920 . 1 1 116 116 ALA HA H 1 5.086 0.015 . 1 . . . A 151 ALA HA . 18179 1 921 . 1 1 116 116 ALA HB1 H 1 1.416 0.002 . 1 . . . A 151 ALA HB1 . 18179 1 922 . 1 1 116 116 ALA HB2 H 1 1.416 0.002 . 1 . . . A 151 ALA HB2 . 18179 1 923 . 1 1 116 116 ALA HB3 H 1 1.416 0.002 . 1 . . . A 151 ALA HB3 . 18179 1 924 . 1 1 116 116 ALA C C 13 177.541 0.001 . 1 . . . A 151 ALA C . 18179 1 925 . 1 1 116 116 ALA CA C 13 51.614 0.027 . 1 . . . A 151 ALA CA . 18179 1 926 . 1 1 116 116 ALA CB C 13 21.262 0.015 . 1 . . . A 151 ALA CB . 18179 1 927 . 1 1 116 116 ALA N N 15 121.349 0.045 . 1 . . . A 151 ALA N . 18179 1 928 . 1 1 117 117 TYR H H 1 6.916 0.005 . 1 . . . A 152 TYR H . 18179 1 929 . 1 1 117 117 TYR HA H 1 4.693 0.001 . 1 . . . A 152 TYR HA . 18179 1 930 . 1 1 117 117 TYR HB2 H 1 2.953 0.017 . 1 . . . A 152 TYR HB2 . 18179 1 931 . 1 1 117 117 TYR HB3 H 1 2.588 0.027 . 1 . . . A 152 TYR HB3 . 18179 1 932 . 1 1 117 117 TYR HD1 H 1 7.128 0.006 . 3 . . . A 152 TYR HD1 . 18179 1 933 . 1 1 117 117 TYR HD2 H 1 7.128 0.006 . 3 . . . A 152 TYR HD2 . 18179 1 934 . 1 1 117 117 TYR C C 13 173.749 0.000 . 1 . . . A 152 TYR C . 18179 1 935 . 1 1 117 117 TYR CA C 13 58.142 0.045 . 1 . . . A 152 TYR CA . 18179 1 936 . 1 1 117 117 TYR CB C 13 42.827 0.015 . 1 . . . A 152 TYR CB . 18179 1 937 . 1 1 117 117 TYR CD1 C 13 133.379 0.000 . 3 . . . A 152 TYR CD1 . 18179 1 938 . 1 1 117 117 TYR CD2 C 13 133.379 0.000 . 3 . . . A 152 TYR CD2 . 18179 1 939 . 1 1 117 117 TYR N N 15 115.287 0.037 . 1 . . . A 152 TYR N . 18179 1 940 . 1 1 118 118 GLU H H 1 9.508 0.011 . 1 . . . A 153 GLU H . 18179 1 941 . 1 1 118 118 GLU HA H 1 4.951 0.004 . 1 . . . A 153 GLU HA . 18179 1 942 . 1 1 118 118 GLU HB2 H 1 2.443 0.006 . 1 . . . A 153 GLU HB2 . 18179 1 943 . 1 1 118 118 GLU HB3 H 1 1.763 0.002 . 1 . . . A 153 GLU HB3 . 18179 1 944 . 1 1 118 118 GLU HG2 H 1 2.303 0.011 . 1 . . . A 153 GLU HG2 . 18179 1 945 . 1 1 118 118 GLU HG3 H 1 2.196 0.005 . 1 . . . A 153 GLU HG3 . 18179 1 946 . 1 1 118 118 GLU C C 13 175.895 0.000 . 1 . . . A 153 GLU C . 18179 1 947 . 1 1 118 118 GLU CA C 13 54.029 0.022 . 1 . . . A 153 GLU CA . 18179 1 948 . 1 1 118 118 GLU CB C 13 29.513 0.059 . 1 . . . A 153 GLU CB . 18179 1 949 . 1 1 118 118 GLU CG C 13 36.021 0.022 . 1 . . . A 153 GLU CG . 18179 1 950 . 1 1 118 118 GLU N N 15 122.624 0.037 . 1 . . . A 153 GLU N . 18179 1 951 . 1 1 119 119 PRO HA H 1 4.119 0.021 . 1 . . . A 154 PRO HA . 18179 1 952 . 1 1 119 119 PRO HB2 H 1 2.270 0.012 . 1 . . . A 154 PRO HB2 . 18179 1 953 . 1 1 119 119 PRO HB3 H 1 2.026 0.004 . 1 . . . A 154 PRO HB3 . 18179 1 954 . 1 1 119 119 PRO C C 13 176.457 0.006 . 1 . . . A 154 PRO C . 18179 1 955 . 1 1 119 119 PRO CA C 13 66.240 0.027 . 1 . . . A 154 PRO CA . 18179 1 956 . 1 1 119 119 PRO CB C 13 31.682 0.037 . 1 . . . A 154 PRO CB . 18179 1 957 . 1 1 120 120 ALA H H 1 7.697 0.007 . 1 . . . A 155 ALA H . 18179 1 958 . 1 1 120 120 ALA HA H 1 4.372 0.002 . 1 . . . A 155 ALA HA . 18179 1 959 . 1 1 120 120 ALA HB1 H 1 1.431 0.003 . 1 . . . A 155 ALA HB1 . 18179 1 960 . 1 1 120 120 ALA HB2 H 1 1.431 0.003 . 1 . . . A 155 ALA HB2 . 18179 1 961 . 1 1 120 120 ALA HB3 H 1 1.431 0.003 . 1 . . . A 155 ALA HB3 . 18179 1 962 . 1 1 120 120 ALA C C 13 178.528 0.004 . 1 . . . A 155 ALA C . 18179 1 963 . 1 1 120 120 ALA CA C 13 53.148 0.016 . 1 . . . A 155 ALA CA . 18179 1 964 . 1 1 120 120 ALA CB C 13 18.782 0.022 . 1 . . . A 155 ALA CB . 18179 1 965 . 1 1 120 120 ALA N N 15 114.721 0.029 . 1 . . . A 155 ALA N . 18179 1 966 . 1 1 121 121 ASP H H 1 8.493 0.007 . 1 . . . A 156 ASP H . 18179 1 967 . 1 1 121 121 ASP HA H 1 5.154 0.007 . 1 . . . A 156 ASP HA . 18179 1 968 . 1 1 121 121 ASP HB2 H 1 3.515 0.006 . 1 . . . A 156 ASP HB2 . 18179 1 969 . 1 1 121 121 ASP HB3 H 1 3.379 0.019 . 1 . . . A 156 ASP HB3 . 18179 1 970 . 1 1 121 121 ASP C C 13 176.756 0.013 . 1 . . . A 156 ASP C . 18179 1 971 . 1 1 121 121 ASP CA C 13 54.742 0.037 . 1 . . . A 156 ASP CA . 18179 1 972 . 1 1 121 121 ASP CB C 13 42.326 0.068 . 1 . . . A 156 ASP CB . 18179 1 973 . 1 1 121 121 ASP N N 15 117.502 0.050 . 1 . . . A 156 ASP N . 18179 1 974 . 1 1 122 122 THR H H 1 7.428 0.008 . 1 . . . A 157 THR H . 18179 1 975 . 1 1 122 122 THR HA H 1 3.738 0.006 . 1 . . . A 157 THR HA . 18179 1 976 . 1 1 122 122 THR HB H 1 4.108 0.011 . 1 . . . A 157 THR HB . 18179 1 977 . 1 1 122 122 THR HG21 H 1 1.285 0.003 . 1 . . . A 157 THR HG21 . 18179 1 978 . 1 1 122 122 THR HG22 H 1 1.285 0.003 . 1 . . . A 157 THR HG22 . 18179 1 979 . 1 1 122 122 THR HG23 H 1 1.285 0.003 . 1 . . . A 157 THR HG23 . 18179 1 980 . 1 1 122 122 THR C C 13 176.023 0.002 . 1 . . . A 157 THR C . 18179 1 981 . 1 1 122 122 THR CA C 13 66.673 0.036 . 1 . . . A 157 THR CA . 18179 1 982 . 1 1 122 122 THR CB C 13 67.967 0.026 . 1 . . . A 157 THR CB . 18179 1 983 . 1 1 122 122 THR CG2 C 13 22.750 0.037 . 1 . . . A 157 THR CG2 . 18179 1 984 . 1 1 122 122 THR N N 15 111.372 0.028 . 1 . . . A 157 THR N . 18179 1 985 . 1 1 123 123 ALA H H 1 8.663 0.009 . 1 . . . A 158 ALA H . 18179 1 986 . 1 1 123 123 ALA HA H 1 4.133 0.005 . 1 . . . A 158 ALA HA . 18179 1 987 . 1 1 123 123 ALA HB1 H 1 1.413 0.009 . 1 . . . A 158 ALA HB1 . 18179 1 988 . 1 1 123 123 ALA HB2 H 1 1.413 0.009 . 1 . . . A 158 ALA HB2 . 18179 1 989 . 1 1 123 123 ALA HB3 H 1 1.413 0.009 . 1 . . . A 158 ALA HB3 . 18179 1 990 . 1 1 123 123 ALA C C 13 179.987 0.003 . 1 . . . A 158 ALA C . 18179 1 991 . 1 1 123 123 ALA CA C 13 55.545 0.045 . 1 . . . A 158 ALA CA . 18179 1 992 . 1 1 123 123 ALA CB C 13 17.458 0.039 . 1 . . . A 158 ALA CB . 18179 1 993 . 1 1 123 123 ALA N N 15 123.853 0.037 . 1 . . . A 158 ALA N . 18179 1 994 . 1 1 124 124 LEU H H 1 7.444 0.004 . 1 . . . A 159 LEU H . 18179 1 995 . 1 1 124 124 LEU HA H 1 4.229 0.009 . 1 . . . A 159 LEU HA . 18179 1 996 . 1 1 124 124 LEU HB2 H 1 1.940 0.017 . 1 . . . A 159 LEU HB2 . 18179 1 997 . 1 1 124 124 LEU HB3 H 1 1.663 0.010 . 1 . . . A 159 LEU HB3 . 18179 1 998 . 1 1 124 124 LEU HD11 H 1 0.914 0.015 . 1 . . . A 159 LEU HD11 . 18179 1 999 . 1 1 124 124 LEU HD12 H 1 0.914 0.015 . 1 . . . A 159 LEU HD12 . 18179 1 1000 . 1 1 124 124 LEU HD13 H 1 0.914 0.015 . 1 . . . A 159 LEU HD13 . 18179 1 1001 . 1 1 124 124 LEU HD21 H 1 0.961 0.013 . 1 . . . A 159 LEU HD21 . 18179 1 1002 . 1 1 124 124 LEU HD22 H 1 0.961 0.013 . 1 . . . A 159 LEU HD22 . 18179 1 1003 . 1 1 124 124 LEU HD23 H 1 0.961 0.013 . 1 . . . A 159 LEU HD23 . 18179 1 1004 . 1 1 124 124 LEU C C 13 178.342 0.002 . 1 . . . A 159 LEU C . 18179 1 1005 . 1 1 124 124 LEU CA C 13 57.329 0.034 . 1 . . . A 159 LEU CA . 18179 1 1006 . 1 1 124 124 LEU CB C 13 41.956 0.043 . 1 . . . A 159 LEU CB . 18179 1 1007 . 1 1 124 124 LEU CD1 C 13 26.580 0.030 . 1 . . . A 159 LEU CD1 . 18179 1 1008 . 1 1 124 124 LEU CD2 C 13 23.698 0.009 . 1 . . . A 159 LEU CD2 . 18179 1 1009 . 1 1 124 124 LEU N N 15 121.199 0.035 . 1 . . . A 159 LEU N . 18179 1 1010 . 1 1 125 125 LEU H H 1 8.430 0.011 . 1 . . . A 160 LEU H . 18179 1 1011 . 1 1 125 125 LEU HA H 1 3.963 0.012 . 1 . . . A 160 LEU HA . 18179 1 1012 . 1 1 125 125 LEU HB2 H 1 1.861 0.008 . 1 . . . A 160 LEU HB2 . 18179 1 1013 . 1 1 125 125 LEU HB3 H 1 1.273 0.003 . 1 . . . A 160 LEU HB3 . 18179 1 1014 . 1 1 125 125 LEU HD11 H 1 0.453 0.005 . 1 . . . A 160 LEU HD11 . 18179 1 1015 . 1 1 125 125 LEU HD12 H 1 0.453 0.005 . 1 . . . A 160 LEU HD12 . 18179 1 1016 . 1 1 125 125 LEU HD13 H 1 0.453 0.005 . 1 . . . A 160 LEU HD13 . 18179 1 1017 . 1 1 125 125 LEU C C 13 178.168 0.016 . 1 . . . A 160 LEU C . 18179 1 1018 . 1 1 125 125 LEU CA C 13 58.475 0.025 . 1 . . . A 160 LEU CA . 18179 1 1019 . 1 1 125 125 LEU CB C 13 40.915 0.025 . 1 . . . A 160 LEU CB . 18179 1 1020 . 1 1 125 125 LEU CD1 C 13 21.786 0.014 . 1 . . . A 160 LEU CD1 . 18179 1 1021 . 1 1 125 125 LEU N N 15 119.836 0.036 . 1 . . . A 160 LEU N . 18179 1 1022 . 1 1 126 126 LEU H H 1 8.127 0.007 . 1 . . . A 161 LEU H . 18179 1 1023 . 1 1 126 126 LEU HA H 1 4.000 0.004 . 1 . . . A 161 LEU HA . 18179 1 1024 . 1 1 126 126 LEU HB2 H 1 1.668 0.015 . 1 . . . A 161 LEU HB2 . 18179 1 1025 . 1 1 126 126 LEU HB3 H 1 1.641 0.022 . 1 . . . A 161 LEU HB3 . 18179 1 1026 . 1 1 126 126 LEU HD11 H 1 0.784 0.009 . 1 . . . A 161 LEU HD11 . 18179 1 1027 . 1 1 126 126 LEU HD12 H 1 0.784 0.009 . 1 . . . A 161 LEU HD12 . 18179 1 1028 . 1 1 126 126 LEU HD13 H 1 0.784 0.009 . 1 . . . A 161 LEU HD13 . 18179 1 1029 . 1 1 126 126 LEU HD21 H 1 0.791 0.008 . 1 . . . A 161 LEU HD21 . 18179 1 1030 . 1 1 126 126 LEU HD22 H 1 0.791 0.008 . 1 . . . A 161 LEU HD22 . 18179 1 1031 . 1 1 126 126 LEU HD23 H 1 0.791 0.008 . 1 . . . A 161 LEU HD23 . 18179 1 1032 . 1 1 126 126 LEU C C 13 178.848 0.008 . 1 . . . A 161 LEU C . 18179 1 1033 . 1 1 126 126 LEU CA C 13 58.524 0.027 . 1 . . . A 161 LEU CA . 18179 1 1034 . 1 1 126 126 LEU CB C 13 42.005 0.035 . 1 . . . A 161 LEU CB . 18179 1 1035 . 1 1 126 126 LEU CD1 C 13 24.848 0.025 . 1 . . . A 161 LEU CD1 . 18179 1 1036 . 1 1 126 126 LEU CD2 C 13 25.392 0.040 . 1 . . . A 161 LEU CD2 . 18179 1 1037 . 1 1 126 126 LEU N N 15 120.046 0.036 . 1 . . . A 161 LEU N . 18179 1 1038 . 1 1 127 127 ASP H H 1 7.872 0.013 . 1 . . . A 162 ASP H . 18179 1 1039 . 1 1 127 127 ASP HA H 1 4.267 0.008 . 1 . . . A 162 ASP HA . 18179 1 1040 . 1 1 127 127 ASP HB2 H 1 2.787 0.011 . 1 . . . A 162 ASP HB2 . 18179 1 1041 . 1 1 127 127 ASP HB3 H 1 2.581 0.003 . 1 . . . A 162 ASP HB3 . 18179 1 1042 . 1 1 127 127 ASP C C 13 179.299 0.000 . 1 . . . A 162 ASP C . 18179 1 1043 . 1 1 127 127 ASP CA C 13 57.699 0.059 . 1 . . . A 162 ASP CA . 18179 1 1044 . 1 1 127 127 ASP CB C 13 40.564 0.016 . 1 . . . A 162 ASP CB . 18179 1 1045 . 1 1 127 127 ASP N N 15 119.057 0.029 . 1 . . . A 162 ASP N . 18179 1 1046 . 1 1 128 128 ASN H H 1 8.711 0.009 . 1 . . . A 163 ASN H . 18179 1 1047 . 1 1 128 128 ASN HA H 1 4.423 0.003 . 1 . . . A 163 ASN HA . 18179 1 1048 . 1 1 128 128 ASN HB2 H 1 3.097 0.016 . 1 . . . A 163 ASN HB2 . 18179 1 1049 . 1 1 128 128 ASN HB3 H 1 2.340 0.011 . 1 . . . A 163 ASN HB3 . 18179 1 1050 . 1 1 128 128 ASN HD21 H 1 7.939 0.014 . 1 . . . A 163 ASN HD21 . 18179 1 1051 . 1 1 128 128 ASN HD22 H 1 6.945 0.011 . 1 . . . A 163 ASN HD22 . 18179 1 1052 . 1 1 128 128 ASN C C 13 177.256 0.000 . 1 . . . A 163 ASN C . 18179 1 1053 . 1 1 128 128 ASN CA C 13 54.502 0.022 . 1 . . . A 163 ASN CA . 18179 1 1054 . 1 1 128 128 ASN CB C 13 36.821 0.036 . 1 . . . A 163 ASN CB . 18179 1 1055 . 1 1 128 128 ASN N N 15 122.268 0.063 . 1 . . . A 163 ASN N . 18179 1 1056 . 1 1 128 128 ASN ND2 N 15 111.370 0.034 . 1 . . . A 163 ASN ND2 . 18179 1 1057 . 1 1 129 129 MET H H 1 8.704 0.005 . 1 . . . A 164 MET H . 18179 1 1058 . 1 1 129 129 MET HA H 1 3.583 0.003 . 1 . . . A 164 MET HA . 18179 1 1059 . 1 1 129 129 MET HB2 H 1 2.425 0.013 . 1 . . . A 164 MET HB2 . 18179 1 1060 . 1 1 129 129 MET HB3 H 1 2.338 0.011 . 1 . . . A 164 MET HB3 . 18179 1 1061 . 1 1 129 129 MET C C 13 178.272 0.011 . 1 . . . A 164 MET C . 18179 1 1062 . 1 1 129 129 MET CA C 13 59.617 0.028 . 1 . . . A 164 MET CA . 18179 1 1063 . 1 1 129 129 MET CB C 13 34.481 0.066 . 1 . . . A 164 MET CB . 18179 1 1064 . 1 1 129 129 MET N N 15 122.448 0.071 . 1 . . . A 164 MET N . 18179 1 1065 . 1 1 130 130 LYS H H 1 7.767 0.009 . 1 . . . A 165 LYS H . 18179 1 1066 . 1 1 130 130 LYS HA H 1 3.869 0.010 . 1 . . . A 165 LYS HA . 18179 1 1067 . 1 1 130 130 LYS C C 13 180.050 0.000 . 1 . . . A 165 LYS C . 18179 1 1068 . 1 1 130 130 LYS CA C 13 60.517 0.056 . 1 . . . A 165 LYS CA . 18179 1 1069 . 1 1 130 130 LYS CB C 13 31.836 0.078 . 1 . . . A 165 LYS CB . 18179 1 1070 . 1 1 130 130 LYS N N 15 117.243 0.028 . 1 . . . A 165 LYS N . 18179 1 1071 . 1 1 131 131 LYS H H 1 7.914 0.008 . 1 . . . A 166 LYS H . 18179 1 1072 . 1 1 131 131 LYS HA H 1 3.853 0.008 . 1 . . . A 166 LYS HA . 18179 1 1073 . 1 1 131 131 LYS HB2 H 1 1.741 0.018 . 1 . . . A 166 LYS HB2 . 18179 1 1074 . 1 1 131 131 LYS HB3 H 1 1.698 0.017 . 1 . . . A 166 LYS HB3 . 18179 1 1075 . 1 1 131 131 LYS HG2 H 1 1.599 0.007 . 1 . . . A 166 LYS HG2 . 18179 1 1076 . 1 1 131 131 LYS HG3 H 1 1.178 0.008 . 1 . . . A 166 LYS HG3 . 18179 1 1077 . 1 1 131 131 LYS C C 13 179.232 0.004 . 1 . . . A 166 LYS C . 18179 1 1078 . 1 1 131 131 LYS CA C 13 60.171 0.039 . 1 . . . A 166 LYS CA . 18179 1 1079 . 1 1 131 131 LYS CB C 13 32.783 0.070 . 1 . . . A 166 LYS CB . 18179 1 1080 . 1 1 131 131 LYS CG C 13 25.788 0.042 . 1 . . . A 166 LYS CG . 18179 1 1081 . 1 1 131 131 LYS N N 15 120.486 0.041 . 1 . . . A 166 LYS N . 18179 1 1082 . 1 1 132 132 ALA H H 1 7.801 0.005 . 1 . . . A 167 ALA H . 18179 1 1083 . 1 1 132 132 ALA HA H 1 3.625 0.006 . 1 . . . A 167 ALA HA . 18179 1 1084 . 1 1 132 132 ALA HB1 H 1 1.124 0.008 . 1 . . . A 167 ALA HB1 . 18179 1 1085 . 1 1 132 132 ALA HB2 H 1 1.124 0.008 . 1 . . . A 167 ALA HB2 . 18179 1 1086 . 1 1 132 132 ALA HB3 H 1 1.124 0.008 . 1 . . . A 167 ALA HB3 . 18179 1 1087 . 1 1 132 132 ALA C C 13 177.616 0.002 . 1 . . . A 167 ALA C . 18179 1 1088 . 1 1 132 132 ALA CA C 13 54.246 0.026 . 1 . . . A 167 ALA CA . 18179 1 1089 . 1 1 132 132 ALA CB C 13 18.261 0.044 . 1 . . . A 167 ALA CB . 18179 1 1090 . 1 1 132 132 ALA N N 15 122.426 0.035 . 1 . . . A 167 ALA N . 18179 1 1091 . 1 1 133 133 LEU H H 1 7.010 0.007 . 1 . . . A 168 LEU H . 18179 1 1092 . 1 1 133 133 LEU HA H 1 3.747 0.007 . 1 . . . A 168 LEU HA . 18179 1 1093 . 1 1 133 133 LEU HB2 H 1 1.704 0.015 . 1 . . . A 168 LEU HB2 . 18179 1 1094 . 1 1 133 133 LEU HB3 H 1 1.391 0.016 . 1 . . . A 168 LEU HB3 . 18179 1 1095 . 1 1 133 133 LEU HD11 H 1 0.266 0.003 . 1 . . . A 168 LEU HD11 . 18179 1 1096 . 1 1 133 133 LEU HD12 H 1 0.266 0.003 . 1 . . . A 168 LEU HD12 . 18179 1 1097 . 1 1 133 133 LEU HD13 H 1 0.266 0.003 . 1 . . . A 168 LEU HD13 . 18179 1 1098 . 1 1 133 133 LEU HD21 H 1 0.739 0.009 . 1 . . . A 168 LEU HD21 . 18179 1 1099 . 1 1 133 133 LEU HD22 H 1 0.739 0.009 . 1 . . . A 168 LEU HD22 . 18179 1 1100 . 1 1 133 133 LEU HD23 H 1 0.739 0.009 . 1 . . . A 168 LEU HD23 . 18179 1 1101 . 1 1 133 133 LEU C C 13 177.322 0.009 . 1 . . . A 168 LEU C . 18179 1 1102 . 1 1 133 133 LEU CA C 13 55.892 0.027 . 1 . . . A 168 LEU CA . 18179 1 1103 . 1 1 133 133 LEU CB C 13 42.159 0.018 . 1 . . . A 168 LEU CB . 18179 1 1104 . 1 1 133 133 LEU CD1 C 13 23.075 0.011 . 1 . . . A 168 LEU CD1 . 18179 1 1105 . 1 1 133 133 LEU CD2 C 13 26.100 0.035 . 1 . . . A 168 LEU CD2 . 18179 1 1106 . 1 1 133 133 LEU N N 15 113.735 0.040 . 1 . . . A 168 LEU N . 18179 1 1107 . 1 1 134 134 LYS H H 1 7.202 0.010 . 1 . . . A 169 LYS H . 18179 1 1108 . 1 1 134 134 LYS HA H 1 4.331 0.008 . 1 . . . A 169 LYS HA . 18179 1 1109 . 1 1 134 134 LYS HB2 H 1 1.817 0.008 . 1 . . . A 169 LYS HB2 . 18179 1 1110 . 1 1 134 134 LYS HB3 H 1 1.815 0.007 . 1 . . . A 169 LYS HB3 . 18179 1 1111 . 1 1 134 134 LYS HG2 H 1 1.428 0.006 . 1 . . . A 169 LYS HG2 . 18179 1 1112 . 1 1 134 134 LYS HG3 H 1 1.304 0.013 . 1 . . . A 169 LYS HG3 . 18179 1 1113 . 1 1 134 134 LYS HD2 H 1 1.612 0.000 . 1 . . . A 169 LYS HD2 . 18179 1 1114 . 1 1 134 134 LYS HD3 H 1 1.612 0.000 . 1 . . . A 169 LYS HD3 . 18179 1 1115 . 1 1 134 134 LYS HE2 H 1 2.900 0.006 . 1 . . . A 169 LYS HE2 . 18179 1 1116 . 1 1 134 134 LYS HE3 H 1 2.900 0.006 . 1 . . . A 169 LYS HE3 . 18179 1 1117 . 1 1 134 134 LYS C C 13 174.307 0.004 . 1 . . . A 169 LYS C . 18179 1 1118 . 1 1 134 134 LYS CA C 13 55.382 0.066 . 1 . . . A 169 LYS CA . 18179 1 1119 . 1 1 134 134 LYS CB C 13 29.718 0.038 . 1 . . . A 169 LYS CB . 18179 1 1120 . 1 1 134 134 LYS CG C 13 24.359 0.023 . 1 . . . A 169 LYS CG . 18179 1 1121 . 1 1 134 134 LYS CD C 13 28.997 0.000 . 1 . . . A 169 LYS CD . 18179 1 1122 . 1 1 134 134 LYS CE C 13 41.959 0.000 . 1 . . . A 169 LYS CE . 18179 1 1123 . 1 1 134 134 LYS N N 15 123.034 0.045 . 1 . . . A 169 LYS N . 18179 1 1124 . 1 1 135 135 LEU H H 1 7.334 0.005 . 1 . . . A 170 LEU H . 18179 1 1125 . 1 1 135 135 LEU HA H 1 3.980 0.001 . 1 . . . A 170 LEU HA . 18179 1 1126 . 1 1 135 135 LEU C C 13 178.427 0.000 . 1 . . . A 170 LEU C . 18179 1 1127 . 1 1 135 135 LEU CA C 13 54.884 0.094 . 1 . . . A 170 LEU CA . 18179 1 1128 . 1 1 135 135 LEU CB C 13 40.903 0.080 . 1 . . . A 170 LEU CB . 18179 1 1129 . 1 1 135 135 LEU N N 15 120.490 0.025 . 1 . . . A 170 LEU N . 18179 1 1130 . 1 1 136 136 LEU H H 1 8.614 0.004 . 1 . . . A 171 LEU H . 18179 1 1131 . 1 1 136 136 LEU HA H 1 4.040 0.001 . 1 . . . A 171 LEU HA . 18179 1 1132 . 1 1 136 136 LEU HB2 H 1 1.581 0.010 . 1 . . . A 171 LEU HB2 . 18179 1 1133 . 1 1 136 136 LEU HB3 H 1 1.301 0.010 . 1 . . . A 171 LEU HB3 . 18179 1 1134 . 1 1 136 136 LEU HD21 H 1 0.761 0.006 . 1 . . . A 171 LEU HD21 . 18179 1 1135 . 1 1 136 136 LEU HD22 H 1 0.761 0.006 . 1 . . . A 171 LEU HD22 . 18179 1 1136 . 1 1 136 136 LEU HD23 H 1 0.761 0.006 . 1 . . . A 171 LEU HD23 . 18179 1 1137 . 1 1 136 136 LEU C C 13 178.231 0.000 . 1 . . . A 171 LEU C . 18179 1 1138 . 1 1 136 136 LEU CA C 13 55.750 0.012 . 1 . . . A 171 LEU CA . 18179 1 1139 . 1 1 136 136 LEU CB C 13 41.734 0.063 . 1 . . . A 171 LEU CB . 18179 1 1140 . 1 1 136 136 LEU CD2 C 13 21.493 0.014 . 1 . . . A 171 LEU CD2 . 18179 1 1141 . 1 1 136 136 LEU N N 15 120.084 0.035 . 1 . . . A 171 LEU N . 18179 1 1142 . 1 1 137 137 LYS H H 1 8.468 0.003 . 1 . . . A 172 LYS H . 18179 1 1143 . 1 1 137 137 LYS HA H 1 4.333 0.004 . 1 . . . A 172 LYS HA . 18179 1 1144 . 1 1 137 137 LYS HB2 H 1 1.728 0.010 . 1 . . . A 172 LYS HB2 . 18179 1 1145 . 1 1 137 137 LYS HB3 H 1 1.728 0.010 . 1 . . . A 172 LYS HB3 . 18179 1 1146 . 1 1 137 137 LYS HG2 H 1 1.336 0.008 . 1 . . . A 172 LYS HG2 . 18179 1 1147 . 1 1 137 137 LYS HG3 H 1 1.341 0.002 . 1 . . . A 172 LYS HG3 . 18179 1 1148 . 1 1 137 137 LYS HD2 H 1 1.609 0.004 . 1 . . . A 172 LYS HD2 . 18179 1 1149 . 1 1 137 137 LYS HD3 H 1 1.609 0.004 . 1 . . . A 172 LYS HD3 . 18179 1 1150 . 1 1 137 137 LYS HE2 H 1 2.911 0.000 . 1 . . . A 172 LYS HE2 . 18179 1 1151 . 1 1 137 137 LYS HE3 H 1 2.911 0.000 . 1 . . . A 172 LYS HE3 . 18179 1 1152 . 1 1 137 137 LYS C C 13 174.388 0.000 . 1 . . . A 172 LYS C . 18179 1 1153 . 1 1 137 137 LYS CA C 13 55.903 0.025 . 1 . . . A 172 LYS CA . 18179 1 1154 . 1 1 137 137 LYS CB C 13 32.681 0.026 . 1 . . . A 172 LYS CB . 18179 1 1155 . 1 1 137 137 LYS CG C 13 24.600 0.000 . 1 . . . A 172 LYS CG . 18179 1 1156 . 1 1 137 137 LYS CD C 13 29.031 0.090 . 1 . . . A 172 LYS CD . 18179 1 1157 . 1 1 137 137 LYS CE C 13 42.000 0.000 . 1 . . . A 172 LYS CE . 18179 1 1158 . 1 1 137 137 LYS N N 15 121.059 0.038 . 1 . . . A 172 LYS N . 18179 1 1159 . 1 1 138 138 THR H H 1 8.095 0.005 . 1 . . . A 173 THR H . 18179 1 1160 . 1 1 138 138 THR HA H 1 4.261 0.004 . 1 . . . A 173 THR HA . 18179 1 1161 . 1 1 138 138 THR HB H 1 4.129 0.003 . 1 . . . A 173 THR HB . 18179 1 1162 . 1 1 138 138 THR HG21 H 1 1.108 0.005 . 1 . . . A 173 THR HG21 . 18179 1 1163 . 1 1 138 138 THR HG22 H 1 1.108 0.005 . 1 . . . A 173 THR HG22 . 18179 1 1164 . 1 1 138 138 THR HG23 H 1 1.108 0.005 . 1 . . . A 173 THR HG23 . 18179 1 1165 . 1 1 138 138 THR C C 13 174.267 0.003 . 1 . . . A 173 THR C . 18179 1 1166 . 1 1 138 138 THR CA C 13 61.867 0.049 . 1 . . . A 173 THR CA . 18179 1 1167 . 1 1 138 138 THR CB C 13 69.848 0.042 . 1 . . . A 173 THR CB . 18179 1 1168 . 1 1 138 138 THR CG2 C 13 21.564 0.029 . 1 . . . A 173 THR CG2 . 18179 1 1169 . 1 1 138 138 THR N N 15 116.267 0.076 . 1 . . . A 173 THR N . 18179 1 1170 . 1 1 139 139 GLU H H 1 8.293 0.004 . 1 . . . A 174 GLU H . 18179 1 1171 . 1 1 139 139 GLU HA H 1 4.288 0.007 . 1 . . . A 174 GLU HA . 18179 1 1172 . 1 1 139 139 GLU HB2 H 1 2.015 0.011 . 1 . . . A 174 GLU HB2 . 18179 1 1173 . 1 1 139 139 GLU HB3 H 1 1.829 0.002 . 1 . . . A 174 GLU HB3 . 18179 1 1174 . 1 1 139 139 GLU HG2 H 1 2.196 0.014 . 1 . . . A 174 GLU HG2 . 18179 1 1175 . 1 1 139 139 GLU HG3 H 1 2.177 0.020 . 1 . . . A 174 GLU HG3 . 18179 1 1176 . 1 1 139 139 GLU C C 13 175.178 0.002 . 1 . . . A 174 GLU C . 18179 1 1177 . 1 1 139 139 GLU CA C 13 56.205 0.025 . 1 . . . A 174 GLU CA . 18179 1 1178 . 1 1 139 139 GLU CB C 13 30.353 0.047 . 1 . . . A 174 GLU CB . 18179 1 1179 . 1 1 139 139 GLU CG C 13 36.046 0.001 . 1 . . . A 174 GLU CG . 18179 1 1180 . 1 1 139 139 GLU N N 15 123.648 0.036 . 1 . . . A 174 GLU N . 18179 1 1181 . 1 1 140 140 LEU H H 1 7.858 0.002 . 1 . . . A 175 LEU H . 18179 1 1182 . 1 1 140 140 LEU C C 13 182.406 0.000 . 1 . . . A 175 LEU C . 18179 1 1183 . 1 1 140 140 LEU CA C 13 56.646 0.007 . 1 . . . A 175 LEU CA . 18179 1 1184 . 1 1 140 140 LEU CB C 13 43.281 0.000 . 1 . . . A 175 LEU CB . 18179 1 1185 . 1 1 140 140 LEU N N 15 128.974 0.030 . 1 . . . A 175 LEU N . 18179 1 stop_ save_