data_16189 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16189 _Entry.Title ; Structure of the amino-terminal domain of human FK506-binding protein 3 / Northeast Structural Genomics Consortium Target HT99A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-27 _Entry.Accession_date 2009-02-27 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; The protein encoded by this gene is a member of the immunophilin protein family, which play a role in immunoregulation and basic cellular processes involving protein folding and trafficking. This encoded protein is a cis-trans prolyl isomerase that binds the immunosuppressants FK506 and rapamycin, as well as histone deacetylases, the transcription factor YY1, casein kinase II, MDM2, and nucleolin. It has a higher affinity for rapamycin than for FK506 and thus may be an important target molecule for immunosuppression by rapamycin. The C-terminal domain is primarily responsible for rapamycin binding has a beta fold similar to other FKBP proteins (Liang et al., 1996, 1pbk), while the N-terminal domain deposited here has an all-alpha structure. The sequence of the N-terminal domain shows low homologies to other sequences, in accordance with this, a DALI comparison shows only distant fold similarities. Although basically a helix bundle, only helices 2, 3 and 5 are folding towards each other in a classical, antiparallel manner. The construct used to determine this structure contains residues 1-73; constructs extended c-terminally did not add further structured entities to the fold. The determination of the structure of the FKBP3 N-terminal domain will be helpful in understanding the molecular relationships between FKBP3 and its many interacting proteins. Liang, J., Hung, D.T., Schreiber, S.L., Clardy, J. (1996) Structure of the human 25 kDa FK506 binding protein complexed with rapamycin. J.Am.Chem.Soc. 118: 1231-1232 ; _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 Maria Sunnerhagen . . . 16189 2 'T. L.' Davis . . . 16189 3 Alexandras Gutmanas . . . 16189 4 Christophe Fares . . . 16189 5 Hui Ouyang . . . 16189 6 Alexander Lemak . . . 16189 7 Y. Li . . . 16189 8 Johan Weigelt . . . 16189 9 C. Bountra . . . 16189 10 'A. M.' Edwards . . . 16189 11 Cheryl Arrowsmith . H. . 16189 12 Sirano 'Dhe Paganon' . . . 16189 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 . 'not applicable' 'Northeast Structural Genomics Consortium' . 16189 . 'not applicable' 'Structural Genomics Consortium' . 16189 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 16189 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 16189 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16189 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 16189 '15N chemical shifts' 75 16189 '1H chemical shifts' 518 16189 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-10 2009-02-27 original author . 16189 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFV 'BMRB Entry Tracking System' 16189 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16189 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure of the N-terminal domain of FK506-binding protein 3.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maria Sunnerhagen . . . 16189 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16189 _Assembly.ID 1 _Assembly.Name FKBP3-N _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 FKBP3-N 1 $FKBP3-N A . yes native no no . . . 16189 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP3-N _Entity.Sf_category entity _Entity.Sf_framecode FKBP3-N _Entity.Entry_ID 16189 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP3-N _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 ; MGSSHHHHHHSSGLVPRGSM AAAVPQRAWTVEQLRSEQLP KKDIIKFLQEHGSDSFLAEH KLLGNIKNVAKTANKDHLVT AYNHLFETKRFK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-19 represent a non-native affinity tag. Residues 20-92 represent residues 1-73 of the intact FK506-binding protein 3. ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment FKBP3-N _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8417.787 _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 19551 . hFKBP25 . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 2 no PDB 2KFV . "Structure Of The Amino-Terminal Domain Of Human Fk506- Binding Protein 3 NORTHEAST STRUCTURAL GENOMICS Consortium Target Ht99a" . . . . . 100.00 92 100.00 100.00 5.35e-60 . . . . 16189 1 3 no PDB 2MPH . "Solution Structure Of Human Fk506 Binding Protein 25" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 4 no DBJ BAA24412 . "binding protein [Oryctolagus cuniculus]" . . . . . 78.26 223 98.61 100.00 3.02e-42 . . . . 16189 1 5 no DBJ BAD96713 . "FK506-binding protein 3 variant [Homo sapiens]" . . . . . 79.35 224 100.00 100.00 1.00e-43 . . . . 16189 1 6 no DBJ BAE01700 . "unnamed protein product [Macaca fascicularis]" . . . . . 79.35 224 100.00 100.00 1.18e-43 . . . . 16189 1 7 no DBJ BAE87176 . "unnamed protein product [Macaca fascicularis]" . . . . . 79.35 224 100.00 100.00 1.18e-43 . . . . 16189 1 8 no DBJ BAG34856 . "unnamed protein product [Homo sapiens]" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 9 no GB AAA30348 . "FK506-binding protein [Bos taurus]" . . . . . 79.35 224 97.26 100.00 1.30e-42 . . . . 16189 1 10 no GB AAA58471 . "rapamycin binding protein [Homo sapiens]" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 11 no GB AAA58474 . "rapamycin-binding protein [Homo sapiens]" . . . . . 79.35 219 100.00 100.00 9.98e-44 . . . . 16189 1 12 no GB AAA58475 . "FK506-binding protein 25 [Homo sapiens]" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 13 no GB AAH16288 . "FK506 binding protein 3, 25kDa [Homo sapiens]" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 14 no REF NP_001033201 . "peptidyl-prolyl cis-trans isomerase FKBP3 [Bos taurus]" . . . . . 79.35 224 97.26 100.00 1.30e-42 . . . . 16189 1 15 no REF NP_001100206 . "peptidyl-prolyl cis-trans isomerase FKBP3 [Rattus norvegicus]" . . . . . 79.35 224 97.26 100.00 1.42e-42 . . . . 16189 1 16 no REF NP_001231086 . "peptidyl-prolyl cis-trans isomerase FKBP3 [Sus scrofa]" . . . . . 79.35 224 97.26 100.00 1.28e-42 . . . . 16189 1 17 no REF NP_001270679 . "uncharacterized protein LOC101866842 [Macaca fascicularis]" . . . . . 79.35 224 100.00 100.00 1.18e-43 . . . . 16189 1 18 no REF NP_002004 . "peptidyl-prolyl cis-trans isomerase FKBP3 [Homo sapiens]" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 19 no SP O46638 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP3; Short=PPIase FKBP3; AltName: Full=25 kDa FK506-binding protein; Short=" . . . . . 79.35 224 98.63 100.00 3.53e-43 . . . . 16189 1 20 no SP P26884 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP3; Short=PPIase FKBP3; AltName: Full=25 kDa FK506-binding protein; Short=" . . . . . 79.35 224 97.26 100.00 1.30e-42 . . . . 16189 1 21 no SP Q00688 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP3; Short=PPIase FKBP3; AltName: Full=25 kDa FK506-binding protein; Short=" . . . . . 79.35 224 100.00 100.00 1.03e-43 . . . . 16189 1 22 no TPG DAA17319 . "TPA: FK506 binding protein 3, 25kDa [Bos taurus]" . . . . . 79.35 224 97.26 100.00 1.30e-42 . . . . 16189 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; The protein encoded by this gene is a member of the immunophilin protein family, which play a role in immunoregulation and basic cellular processes involving protein folding and trafficking. This encoded protein is a cis-trans prolyl isomerase that binds the immunosuppressants FK506 and rapamycin, as well as histone deacetylases, the transcription factor YY1, casein kinase II, MDM2, and nucleolin. It has a higher affinity for rapamycin than for FK506 and thus may be an important target molecule for immunosuppression by rapamycin. The C-terminal domain is primarily responsible for rapamycin binding has a beta fold similar to other FKBP proteins (Liang et al., 1996, 1pbk), while the N-terminal domain deposited here has an all-alpha structure. The sequence of the N-terminal domain shows low homologies to other sequences, in accordance with this, a DALI comparison shows only distant fold similarities. Although basically a helix bundle, only helices 2, 3 and 5 are folding towards each other in a classical, antiparallel manner. The construct used to determine this structure contains residues 1-73; constructs extended c-terminally did not add further structured entities to the fold. The determination of the structure of the FKBP3 N-terminal domain will be helpful in understanding the molecular relationships between FKBP3 and its many interacting proteins. ; 16189 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16189 1 2 . GLY . 16189 1 3 . SER . 16189 1 4 . SER . 16189 1 5 . HIS . 16189 1 6 . HIS . 16189 1 7 . HIS . 16189 1 8 . HIS . 16189 1 9 . HIS . 16189 1 10 . HIS . 16189 1 11 . SER . 16189 1 12 . SER . 16189 1 13 . GLY . 16189 1 14 . LEU . 16189 1 15 . VAL . 16189 1 16 . PRO . 16189 1 17 . ARG . 16189 1 18 . GLY . 16189 1 19 . SER . 16189 1 20 . MET . 16189 1 21 . ALA . 16189 1 22 . ALA . 16189 1 23 . ALA . 16189 1 24 . VAL . 16189 1 25 . PRO . 16189 1 26 . GLN . 16189 1 27 . ARG . 16189 1 28 . ALA . 16189 1 29 . TRP . 16189 1 30 . THR . 16189 1 31 . VAL . 16189 1 32 . GLU . 16189 1 33 . GLN . 16189 1 34 . LEU . 16189 1 35 . ARG . 16189 1 36 . SER . 16189 1 37 . GLU . 16189 1 38 . GLN . 16189 1 39 . LEU . 16189 1 40 . PRO . 16189 1 41 . LYS . 16189 1 42 . LYS . 16189 1 43 . ASP . 16189 1 44 . ILE . 16189 1 45 . ILE . 16189 1 46 . LYS . 16189 1 47 . PHE . 16189 1 48 . LEU . 16189 1 49 . GLN . 16189 1 50 . GLU . 16189 1 51 . HIS . 16189 1 52 . GLY . 16189 1 53 . SER . 16189 1 54 . ASP . 16189 1 55 . SER . 16189 1 56 . PHE . 16189 1 57 . LEU . 16189 1 58 . ALA . 16189 1 59 . GLU . 16189 1 60 . HIS . 16189 1 61 . LYS . 16189 1 62 . LEU . 16189 1 63 . LEU . 16189 1 64 . GLY . 16189 1 65 . ASN . 16189 1 66 . ILE . 16189 1 67 . LYS . 16189 1 68 . ASN . 16189 1 69 . VAL . 16189 1 70 . ALA . 16189 1 71 . LYS . 16189 1 72 . THR . 16189 1 73 . ALA . 16189 1 74 . ASN . 16189 1 75 . LYS . 16189 1 76 . ASP . 16189 1 77 . HIS . 16189 1 78 . LEU . 16189 1 79 . VAL . 16189 1 80 . THR . 16189 1 81 . ALA . 16189 1 82 . TYR . 16189 1 83 . ASN . 16189 1 84 . HIS . 16189 1 85 . LEU . 16189 1 86 . PHE . 16189 1 87 . GLU . 16189 1 88 . THR . 16189 1 89 . LYS . 16189 1 90 . ARG . 16189 1 91 . PHE . 16189 1 92 . LYS . 16189 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16189 1 . GLY 2 2 16189 1 . SER 3 3 16189 1 . SER 4 4 16189 1 . HIS 5 5 16189 1 . HIS 6 6 16189 1 . HIS 7 7 16189 1 . HIS 8 8 16189 1 . HIS 9 9 16189 1 . HIS 10 10 16189 1 . SER 11 11 16189 1 . SER 12 12 16189 1 . GLY 13 13 16189 1 . LEU 14 14 16189 1 . VAL 15 15 16189 1 . PRO 16 16 16189 1 . ARG 17 17 16189 1 . GLY 18 18 16189 1 . SER 19 19 16189 1 . MET 20 20 16189 1 . ALA 21 21 16189 1 . ALA 22 22 16189 1 . ALA 23 23 16189 1 . VAL 24 24 16189 1 . PRO 25 25 16189 1 . GLN 26 26 16189 1 . ARG 27 27 16189 1 . ALA 28 28 16189 1 . TRP 29 29 16189 1 . THR 30 30 16189 1 . VAL 31 31 16189 1 . GLU 32 32 16189 1 . GLN 33 33 16189 1 . LEU 34 34 16189 1 . ARG 35 35 16189 1 . SER 36 36 16189 1 . GLU 37 37 16189 1 . GLN 38 38 16189 1 . LEU 39 39 16189 1 . PRO 40 40 16189 1 . LYS 41 41 16189 1 . LYS 42 42 16189 1 . ASP 43 43 16189 1 . ILE 44 44 16189 1 . ILE 45 45 16189 1 . LYS 46 46 16189 1 . PHE 47 47 16189 1 . LEU 48 48 16189 1 . GLN 49 49 16189 1 . GLU 50 50 16189 1 . HIS 51 51 16189 1 . GLY 52 52 16189 1 . SER 53 53 16189 1 . ASP 54 54 16189 1 . SER 55 55 16189 1 . PHE 56 56 16189 1 . LEU 57 57 16189 1 . ALA 58 58 16189 1 . GLU 59 59 16189 1 . HIS 60 60 16189 1 . LYS 61 61 16189 1 . LEU 62 62 16189 1 . LEU 63 63 16189 1 . GLY 64 64 16189 1 . ASN 65 65 16189 1 . ILE 66 66 16189 1 . LYS 67 67 16189 1 . ASN 68 68 16189 1 . VAL 69 69 16189 1 . ALA 70 70 16189 1 . LYS 71 71 16189 1 . THR 72 72 16189 1 . ALA 73 73 16189 1 . ASN 74 74 16189 1 . LYS 75 75 16189 1 . ASP 76 76 16189 1 . HIS 77 77 16189 1 . LEU 78 78 16189 1 . VAL 79 79 16189 1 . THR 80 80 16189 1 . ALA 81 81 16189 1 . TYR 82 82 16189 1 . ASN 83 83 16189 1 . HIS 84 84 16189 1 . LEU 85 85 16189 1 . PHE 86 86 16189 1 . GLU 87 87 16189 1 . THR 88 88 16189 1 . LYS 89 89 16189 1 . ARG 90 90 16189 1 . PHE 91 91 16189 1 . LYS 92 92 16189 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 16189 _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 $FKBP3-N . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'FKBP3, FKBP25' . 'The entity studied comprises residues 1-73 of the intact FKBP3 protein.' . . 16189 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 16189 _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 $FKBP3-N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL-21(DE3) CodonPlus' . . . . . . . . . . . . . . . pET28aLIC . . . . . . 16189 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16189 _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 FKBP3-N '[U-100% 13C; U-100% 15N]' . . 1 $FKBP3-N . . 12.5 . . mg/ml . . . . 16189 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16189 1 3 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 16189 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16189 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16189 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16189 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 10 mM deuterated TRIS 0.5 M NaCl ; 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' 0.5 . M 16189 1 pH 7.0 . pH 16189 1 pressure 1 . atm 16189 1 temperature 398 . K 16189 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16189 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16189 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16189 1 stop_ save_ save_MDD_NMR _Software.Sf_category software _Software.Sf_framecode MDD_NMR _Software.Entry_ID 16189 _Software.ID 2 _Software.Name MDD_NMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov V' ; Swedish NMR centre Gothenburg, Sweden ; orov@nmr.gu.se 16189 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16189 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16189 _Software.ID 3 _Software.Name CNS _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' . . 16189 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'MD water refinement' 16189 3 stop_ save_ save_ABACUS _Software.Sf_category software _Software.Sf_framecode ABACUS _Software.Entry_ID 16189 _Software.ID 4 _Software.Name ABACUS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexander Lemak' 'CGC, University Health Network, Toronto, Canada' alemak@uhnres.utoronto.ca 16189 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16189 4 'noe assignment' 16189 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian500 _NMR_spectrometer.Entry_ID 16189 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker800 _NMR_spectrometer.Entry_ID 16189 _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 16189 _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 Varian500 Varian INOVA . 500 . . . 16189 1 2 Bruker800 Bruker Avance . 800 . . . 16189 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 16189 _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 . . . 2 $Bruker800 . . . . . . . . . . . . . . . . 16189 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker800 . . . . . . . . . . . . . . . . 16189 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian500 . . . . . . . . . . . . . . . . 16189 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian500 . . . . . . . . . . . . . . . . 16189 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian500 . . . . . . . . . . . . . . . . 16189 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian500 . . . . . . . . . . . . . . . . 16189 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian500 . . . . . . . . . . . . . . . . 16189 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian500 . . . . . . . . . . . . . . . . 16189 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker800 . . . . . . . . . . . . . . . . 16189 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker800 . . . . . . . . . . . . . . . . 16189 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bruker800 . . . . . . . . . . . . . . . . 16189 1 12 '3D IPAP HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16189 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 16189 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16189 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16189 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16189 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 16189 _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' . . . 16189 1 2 '2D 1H-13C HSQC' . . . 16189 1 3 '3D CBCA(CO)NH' . . . 16189 1 4 '3D C(CO)NH' . . . 16189 1 5 '3D HNCO' . . . 16189 1 6 '3D HNCA' . . . 16189 1 7 '3D HBHA(CO)NH' . . . 16189 1 8 '3D H(CCO)NH' . . . 16189 1 9 '3D HCCH-TOCSY' . . . 16189 1 10 '3D 1H-15N NOESY' . . . 16189 1 11 '3D 1H-13C NOESY' . . . 16189 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 20 20 MET H H 1 8.422 0.000 . 1 . . . . 20 MET H . 16189 1 2 . 1 1 20 20 MET HA H 1 4.496 0.000 . 1 . . . . 20 MET HA . 16189 1 3 . 1 1 20 20 MET HB2 H 1 2.129 0.000 . 2 . . . . 20 MET HB2 . 16189 1 4 . 1 1 20 20 MET HB3 H 1 2.010 0.000 . 2 . . . . 20 MET HB3 . 16189 1 5 . 1 1 20 20 MET HG2 H 1 2.539 0.000 . 2 . . . . 20 MET HG2 . 16189 1 6 . 1 1 20 20 MET HG3 H 1 2.625 0.000 . 2 . . . . 20 MET HG3 . 16189 1 7 . 1 1 20 20 MET C C 13 175.986 0.000 . 1 . . . . 20 MET C . 16189 1 8 . 1 1 20 20 MET CA C 13 55.524 0.000 . 1 . . . . 20 MET CA . 16189 1 9 . 1 1 20 20 MET CB C 13 32.766 0.000 . 1 . . . . 20 MET CB . 16189 1 10 . 1 1 20 20 MET CG C 13 32.026 0.000 . 1 . . . . 20 MET CG . 16189 1 11 . 1 1 20 20 MET N N 15 122.258 0.000 . 1 . . . . 20 MET N . 16189 1 12 . 1 1 21 21 ALA H H 1 8.230 0.000 . 1 . . . . 21 ALA H . 16189 1 13 . 1 1 21 21 ALA HA H 1 4.278 0.000 . 1 . . . . 21 ALA HA . 16189 1 14 . 1 1 21 21 ALA HB1 H 1 1.378 0.000 . 1 . . . . 21 ALA HB . 16189 1 15 . 1 1 21 21 ALA HB2 H 1 1.378 0.000 . 1 . . . . 21 ALA HB . 16189 1 16 . 1 1 21 21 ALA HB3 H 1 1.378 0.000 . 1 . . . . 21 ALA HB . 16189 1 17 . 1 1 21 21 ALA CA C 13 52.479 0.000 . 1 . . . . 21 ALA CA . 16189 1 18 . 1 1 21 21 ALA CB C 13 19.242 0.000 . 1 . . . . 21 ALA CB . 16189 1 19 . 1 1 21 21 ALA N N 15 125.031 0.000 . 1 . . . . 21 ALA N . 16189 1 20 . 1 1 22 22 ALA H H 1 8.219 0.000 . 1 . . . . 22 ALA H . 16189 1 21 . 1 1 22 22 ALA HA H 1 4.273 0.000 . 1 . . . . 22 ALA HA . 16189 1 22 . 1 1 22 22 ALA HB1 H 1 1.370 0.000 . 1 . . . . 22 ALA HB . 16189 1 23 . 1 1 22 22 ALA HB2 H 1 1.370 0.000 . 1 . . . . 22 ALA HB . 16189 1 24 . 1 1 22 22 ALA HB3 H 1 1.370 0.000 . 1 . . . . 22 ALA HB . 16189 1 25 . 1 1 22 22 ALA C C 13 177.258 0.000 . 1 . . . . 22 ALA C . 16189 1 26 . 1 1 22 22 ALA CA C 13 52.127 0.000 . 1 . . . . 22 ALA CA . 16189 1 27 . 1 1 22 22 ALA CB C 13 19.418 0.000 . 1 . . . . 22 ALA CB . 16189 1 28 . 1 1 22 22 ALA N N 15 123.203 0.000 . 1 . . . . 22 ALA N . 16189 1 29 . 1 1 23 23 ALA H H 1 8.213 0.000 . 1 . . . . 23 ALA H . 16189 1 30 . 1 1 23 23 ALA HA H 1 4.294 0.000 . 1 . . . . 23 ALA HA . 16189 1 31 . 1 1 23 23 ALA HB1 H 1 1.321 0.000 . 1 . . . . 23 ALA HB . 16189 1 32 . 1 1 23 23 ALA HB2 H 1 1.321 0.000 . 1 . . . . 23 ALA HB . 16189 1 33 . 1 1 23 23 ALA HB3 H 1 1.321 0.000 . 1 . . . . 23 ALA HB . 16189 1 34 . 1 1 23 23 ALA C C 13 177.154 0.000 . 1 . . . . 23 ALA C . 16189 1 35 . 1 1 23 23 ALA CA C 13 52.086 0.000 . 1 . . . . 23 ALA CA . 16189 1 36 . 1 1 23 23 ALA CB C 13 19.252 0.000 . 1 . . . . 23 ALA CB . 16189 1 37 . 1 1 23 23 ALA N N 15 123.720 0.000 . 1 . . . . 23 ALA N . 16189 1 38 . 1 1 24 24 VAL H H 1 7.884 0.000 . 1 . . . . 24 VAL H . 16189 1 39 . 1 1 24 24 VAL HA H 1 3.984 0.000 . 1 . . . . 24 VAL HA . 16189 1 40 . 1 1 24 24 VAL HB H 1 1.752 0.000 . 1 . . . . 24 VAL HB . 16189 1 41 . 1 1 24 24 VAL HG11 H 1 0.845 0.000 . 2 . . . . 24 VAL HG1 . 16189 1 42 . 1 1 24 24 VAL HG12 H 1 0.845 0.000 . 2 . . . . 24 VAL HG1 . 16189 1 43 . 1 1 24 24 VAL HG13 H 1 0.845 0.000 . 2 . . . . 24 VAL HG1 . 16189 1 44 . 1 1 24 24 VAL HG21 H 1 0.863 0.000 . 2 . . . . 24 VAL HG2 . 16189 1 45 . 1 1 24 24 VAL HG22 H 1 0.863 0.000 . 2 . . . . 24 VAL HG2 . 16189 1 46 . 1 1 24 24 VAL HG23 H 1 0.863 0.000 . 2 . . . . 24 VAL HG2 . 16189 1 47 . 1 1 24 24 VAL CA C 13 59.225 0.000 . 1 . . . . 24 VAL CA . 16189 1 48 . 1 1 24 24 VAL CB C 13 32.364 0.000 . 1 . . . . 24 VAL CB . 16189 1 49 . 1 1 24 24 VAL CG1 C 13 21.156 0.000 . 1 . . . . 24 VAL CG1 . 16189 1 50 . 1 1 24 24 VAL CG2 C 13 20.253 0.000 . 1 . . . . 24 VAL CG2 . 16189 1 51 . 1 1 24 24 VAL N N 15 120.285 0.000 . 1 . . . . 24 VAL N . 16189 1 52 . 1 1 25 25 PRO HA H 1 4.257 0.000 . 1 . . . . 25 PRO HA . 16189 1 53 . 1 1 25 25 PRO HB2 H 1 1.663 0.000 . 2 . . . . 25 PRO HB2 . 16189 1 54 . 1 1 25 25 PRO HB3 H 1 1.554 0.000 . 2 . . . . 25 PRO HB3 . 16189 1 55 . 1 1 25 25 PRO HD2 H 1 3.202 0.000 . 2 . . . . 25 PRO HD2 . 16189 1 56 . 1 1 25 25 PRO HD3 H 1 2.222 0.000 . 2 . . . . 25 PRO HD3 . 16189 1 57 . 1 1 25 25 PRO HG2 H 1 1.359 0.000 . 2 . . . . 25 PRO HG2 . 16189 1 58 . 1 1 25 25 PRO HG3 H 1 1.359 0.000 . 2 . . . . 25 PRO HG3 . 16189 1 59 . 1 1 25 25 PRO C C 13 175.315 0.000 . 1 . . . . 25 PRO C . 16189 1 60 . 1 1 25 25 PRO CA C 13 62.433 0.000 . 1 . . . . 25 PRO CA . 16189 1 61 . 1 1 25 25 PRO CB C 13 31.675 0.000 . 1 . . . . 25 PRO CB . 16189 1 62 . 1 1 25 25 PRO CD C 13 49.732 0.000 . 1 . . . . 25 PRO CD . 16189 1 63 . 1 1 25 25 PRO CG C 13 27.264 0.000 . 1 . . . . 25 PRO CG . 16189 1 64 . 1 1 26 26 GLN H H 1 8.214 0.000 . 1 . . . . 26 GLN H . 16189 1 65 . 1 1 26 26 GLN HA H 1 4.209 0.000 . 1 . . . . 26 GLN HA . 16189 1 66 . 1 1 26 26 GLN HB2 H 1 1.873 0.000 . 2 . . . . 26 GLN HB2 . 16189 1 67 . 1 1 26 26 GLN HB3 H 1 1.798 0.000 . 2 . . . . 26 GLN HB3 . 16189 1 68 . 1 1 26 26 GLN HG2 H 1 2.286 0.000 . 2 . . . . 26 GLN HG2 . 16189 1 69 . 1 1 26 26 GLN HG3 H 1 2.241 0.000 . 2 . . . . 26 GLN HG3 . 16189 1 70 . 1 1 26 26 GLN C C 13 175.786 0.000 . 1 . . . . 26 GLN C . 16189 1 71 . 1 1 26 26 GLN CA C 13 54.709 0.000 . 1 . . . . 26 GLN CA . 16189 1 72 . 1 1 26 26 GLN CB C 13 30.040 0.000 . 1 . . . . 26 GLN CB . 16189 1 73 . 1 1 26 26 GLN CG C 13 33.793 0.000 . 1 . . . . 26 GLN CG . 16189 1 74 . 1 1 26 26 GLN N N 15 118.467 0.000 . 1 . . . . 26 GLN N . 16189 1 75 . 1 1 27 27 ARG H H 1 8.384 0.000 . 1 . . . . 27 ARG H . 16189 1 76 . 1 1 27 27 ARG HA H 1 3.521 0.000 . 1 . . . . 27 ARG HA . 16189 1 77 . 1 1 27 27 ARG HB2 H 1 1.327 0.000 . 2 . . . . 27 ARG HB2 . 16189 1 78 . 1 1 27 27 ARG HB3 H 1 0.587 0.000 . 2 . . . . 27 ARG HB3 . 16189 1 79 . 1 1 27 27 ARG HD2 H 1 2.854 0.000 . 2 . . . . 27 ARG HD2 . 16189 1 80 . 1 1 27 27 ARG HD3 H 1 2.664 0.000 . 2 . . . . 27 ARG HD3 . 16189 1 81 . 1 1 27 27 ARG HG2 H 1 0.897 0.000 . 2 . . . . 27 ARG HG2 . 16189 1 82 . 1 1 27 27 ARG HG3 H 1 0.870 0.000 . 2 . . . . 27 ARG HG3 . 16189 1 83 . 1 1 27 27 ARG C C 13 175.469 0.000 . 1 . . . . 27 ARG C . 16189 1 84 . 1 1 27 27 ARG CA C 13 55.862 0.000 . 1 . . . . 27 ARG CA . 16189 1 85 . 1 1 27 27 ARG CB C 13 28.917 0.000 . 1 . . . . 27 ARG CB . 16189 1 86 . 1 1 27 27 ARG CD C 13 44.046 0.000 . 1 . . . . 27 ARG CD . 16189 1 87 . 1 1 27 27 ARG CG C 13 27.496 0.000 . 1 . . . . 27 ARG CG . 16189 1 88 . 1 1 27 27 ARG N N 15 124.803 0.000 . 1 . . . . 27 ARG N . 16189 1 89 . 1 1 28 28 ALA H H 1 7.270 0.000 . 1 . . . . 28 ALA H . 16189 1 90 . 1 1 28 28 ALA HA H 1 3.969 0.000 . 1 . . . . 28 ALA HA . 16189 1 91 . 1 1 28 28 ALA HB1 H 1 0.466 0.000 . 1 . . . . 28 ALA HB . 16189 1 92 . 1 1 28 28 ALA HB2 H 1 0.466 0.000 . 1 . . . . 28 ALA HB . 16189 1 93 . 1 1 28 28 ALA HB3 H 1 0.466 0.000 . 1 . . . . 28 ALA HB . 16189 1 94 . 1 1 28 28 ALA C C 13 177.157 0.000 . 1 . . . . 28 ALA C . 16189 1 95 . 1 1 28 28 ALA CA C 13 52.957 0.000 . 1 . . . . 28 ALA CA . 16189 1 96 . 1 1 28 28 ALA CB C 13 19.253 0.000 . 1 . . . . 28 ALA CB . 16189 1 97 . 1 1 28 28 ALA N N 15 128.250 0.000 . 1 . . . . 28 ALA N . 16189 1 98 . 1 1 29 29 TRP H H 1 7.142 0.000 . 1 . . . . 29 TRP H . 16189 1 99 . 1 1 29 29 TRP HA H 1 5.481 0.000 . 1 . . . . 29 TRP HA . 16189 1 100 . 1 1 29 29 TRP HB2 H 1 2.742 0.000 . 2 . . . . 29 TRP HB2 . 16189 1 101 . 1 1 29 29 TRP HB3 H 1 2.604 0.000 . 2 . . . . 29 TRP HB3 . 16189 1 102 . 1 1 29 29 TRP HD1 H 1 6.977 0.000 . 1 . . . . 29 TRP HD1 . 16189 1 103 . 1 1 29 29 TRP HE1 H 1 10.136 0.000 . 1 . . . . 29 TRP HE1 . 16189 1 104 . 1 1 29 29 TRP HE3 H 1 6.876 0.000 . 1 . . . . 29 TRP HE3 . 16189 1 105 . 1 1 29 29 TRP HH2 H 1 7.047 0.000 . 1 . . . . 29 TRP HH2 . 16189 1 106 . 1 1 29 29 TRP HZ2 H 1 7.435 0.000 . 1 . . . . 29 TRP HZ2 . 16189 1 107 . 1 1 29 29 TRP HZ3 H 1 6.617 0.000 . 1 . . . . 29 TRP HZ3 . 16189 1 108 . 1 1 29 29 TRP C C 13 177.055 0.000 . 1 . . . . 29 TRP C . 16189 1 109 . 1 1 29 29 TRP CA C 13 55.437 0.000 . 1 . . . . 29 TRP CA . 16189 1 110 . 1 1 29 29 TRP CB C 13 31.065 0.000 . 1 . . . . 29 TRP CB . 16189 1 111 . 1 1 29 29 TRP CD1 C 13 125.581 0.000 . 1 . . . . 29 TRP CD1 . 16189 1 112 . 1 1 29 29 TRP CE3 C 13 121.173 0.000 . 1 . . . . 29 TRP CE3 . 16189 1 113 . 1 1 29 29 TRP CH2 C 13 122.803 0.000 . 1 . . . . 29 TRP CH2 . 16189 1 114 . 1 1 29 29 TRP CZ2 C 13 115.036 0.000 . 1 . . . . 29 TRP CZ2 . 16189 1 115 . 1 1 29 29 TRP CZ3 C 13 119.642 0.000 . 1 . . . . 29 TRP CZ3 . 16189 1 116 . 1 1 29 29 TRP N N 15 114.866 0.000 . 1 . . . . 29 TRP N . 16189 1 117 . 1 1 29 29 TRP NE1 N 15 130.023 0.000 . 1 . . . . 29 TRP NE1 . 16189 1 118 . 1 1 30 30 THR H H 1 8.856 0.000 . 1 . . . . 30 THR H . 16189 1 119 . 1 1 30 30 THR HA H 1 4.537 0.000 . 1 . . . . 30 THR HA . 16189 1 120 . 1 1 30 30 THR HB H 1 4.803 0.000 . 1 . . . . 30 THR HB . 16189 1 121 . 1 1 30 30 THR HG21 H 1 1.345 0.000 . 1 . . . . 30 THR HG2 . 16189 1 122 . 1 1 30 30 THR HG22 H 1 1.345 0.000 . 1 . . . . 30 THR HG2 . 16189 1 123 . 1 1 30 30 THR HG23 H 1 1.345 0.000 . 1 . . . . 30 THR HG2 . 16189 1 124 . 1 1 30 30 THR C C 13 175.619 0.000 . 1 . . . . 30 THR C . 16189 1 125 . 1 1 30 30 THR CA C 13 60.108 0.000 . 1 . . . . 30 THR CA . 16189 1 126 . 1 1 30 30 THR CB C 13 71.289 0.000 . 1 . . . . 30 THR CB . 16189 1 127 . 1 1 30 30 THR CG2 C 13 21.877 0.000 . 1 . . . . 30 THR CG2 . 16189 1 128 . 1 1 30 30 THR N N 15 114.413 0.000 . 1 . . . . 30 THR N . 16189 1 129 . 1 1 31 31 VAL H H 1 8.922 0.000 . 1 . . . . 31 VAL H . 16189 1 130 . 1 1 31 31 VAL HA H 1 3.656 0.000 . 1 . . . . 31 VAL HA . 16189 1 131 . 1 1 31 31 VAL HB H 1 2.127 0.000 . 1 . . . . 31 VAL HB . 16189 1 132 . 1 1 31 31 VAL HG11 H 1 1.013 0.000 . 2 . . . . 31 VAL HG1 . 16189 1 133 . 1 1 31 31 VAL HG12 H 1 1.013 0.000 . 2 . . . . 31 VAL HG1 . 16189 1 134 . 1 1 31 31 VAL HG13 H 1 1.013 0.000 . 2 . . . . 31 VAL HG1 . 16189 1 135 . 1 1 31 31 VAL HG21 H 1 1.164 0.000 . 2 . . . . 31 VAL HG2 . 16189 1 136 . 1 1 31 31 VAL HG22 H 1 1.164 0.000 . 2 . . . . 31 VAL HG2 . 16189 1 137 . 1 1 31 31 VAL HG23 H 1 1.164 0.000 . 2 . . . . 31 VAL HG2 . 16189 1 138 . 1 1 31 31 VAL C C 13 177.067 0.000 . 1 . . . . 31 VAL C . 16189 1 139 . 1 1 31 31 VAL CA C 13 67.324 0.000 . 1 . . . . 31 VAL CA . 16189 1 140 . 1 1 31 31 VAL CB C 13 31.187 0.000 . 1 . . . . 31 VAL CB . 16189 1 141 . 1 1 31 31 VAL CG1 C 13 21.473 0.000 . 1 . . . . 31 VAL CG1 . 16189 1 142 . 1 1 31 31 VAL CG2 C 13 22.997 0.000 . 1 . . . . 31 VAL CG2 . 16189 1 143 . 1 1 31 31 VAL N N 15 120.599 0.000 . 1 . . . . 31 VAL N . 16189 1 144 . 1 1 32 32 GLU H H 1 8.403 0.000 . 1 . . . . 32 GLU H . 16189 1 145 . 1 1 32 32 GLU HA H 1 3.891 0.000 . 1 . . . . 32 GLU HA . 16189 1 146 . 1 1 32 32 GLU HB2 H 1 2.024 0.000 . 2 . . . . 32 GLU HB2 . 16189 1 147 . 1 1 32 32 GLU HB3 H 1 1.889 0.000 . 2 . . . . 32 GLU HB3 . 16189 1 148 . 1 1 32 32 GLU HG2 H 1 2.353 0.000 . 2 . . . . 32 GLU HG2 . 16189 1 149 . 1 1 32 32 GLU HG3 H 1 2.253 0.000 . 2 . . . . 32 GLU HG3 . 16189 1 150 . 1 1 32 32 GLU C C 13 179.759 0.000 . 1 . . . . 32 GLU C . 16189 1 151 . 1 1 32 32 GLU CA C 13 60.261 0.000 . 1 . . . . 32 GLU CA . 16189 1 152 . 1 1 32 32 GLU CB C 13 28.903 0.000 . 1 . . . . 32 GLU CB . 16189 1 153 . 1 1 32 32 GLU CG C 13 36.944 0.000 . 1 . . . . 32 GLU CG . 16189 1 154 . 1 1 32 32 GLU N N 15 118.262 0.000 . 1 . . . . 32 GLU N . 16189 1 155 . 1 1 33 33 GLN H H 1 7.631 0.000 . 1 . . . . 33 GLN H . 16189 1 156 . 1 1 33 33 GLN HA H 1 3.903 0.000 . 1 . . . . 33 GLN HA . 16189 1 157 . 1 1 33 33 GLN HB2 H 1 2.401 0.000 . 2 . . . . 33 GLN HB2 . 16189 1 158 . 1 1 33 33 GLN HB3 H 1 1.824 0.000 . 2 . . . . 33 GLN HB3 . 16189 1 159 . 1 1 33 33 GLN HE21 H 1 6.926 0.000 . 2 . . . . 33 GLN HE21 . 16189 1 160 . 1 1 33 33 GLN HE22 H 1 7.578 0.000 . 2 . . . . 33 GLN HE22 . 16189 1 161 . 1 1 33 33 GLN HG2 H 1 2.417 0.000 . 2 . . . . 33 GLN HG2 . 16189 1 162 . 1 1 33 33 GLN HG3 H 1 2.417 0.000 . 2 . . . . 33 GLN HG3 . 16189 1 163 . 1 1 33 33 GLN C C 13 179.087 0.000 . 1 . . . . 33 GLN C . 16189 1 164 . 1 1 33 33 GLN CA C 13 58.872 0.000 . 1 . . . . 33 GLN CA . 16189 1 165 . 1 1 33 33 GLN CB C 13 28.790 0.000 . 1 . . . . 33 GLN CB . 16189 1 166 . 1 1 33 33 GLN CG C 13 35.037 0.000 . 1 . . . . 33 GLN CG . 16189 1 167 . 1 1 33 33 GLN N N 15 118.691 0.000 . 1 . . . . 33 GLN N . 16189 1 168 . 1 1 33 33 GLN NE2 N 15 108.810 0.000 . 1 . . . . 33 GLN NE2 . 16189 1 169 . 1 1 34 34 LEU H H 1 8.164 0.000 . 1 . . . . 34 LEU H . 16189 1 170 . 1 1 34 34 LEU HA H 1 3.543 0.000 . 1 . . . . 34 LEU HA . 16189 1 171 . 1 1 34 34 LEU HB2 H 1 1.982 0.000 . 2 . . . . 34 LEU HB2 . 16189 1 172 . 1 1 34 34 LEU HB3 H 1 1.052 0.000 . 2 . . . . 34 LEU HB3 . 16189 1 173 . 1 1 34 34 LEU HD11 H 1 0.594 0.000 . 2 . . . . 34 LEU HD1 . 16189 1 174 . 1 1 34 34 LEU HD12 H 1 0.594 0.000 . 2 . . . . 34 LEU HD1 . 16189 1 175 . 1 1 34 34 LEU HD13 H 1 0.594 0.000 . 2 . . . . 34 LEU HD1 . 16189 1 176 . 1 1 34 34 LEU HD21 H 1 0.052 0.000 . 2 . . . . 34 LEU HD2 . 16189 1 177 . 1 1 34 34 LEU HD22 H 1 0.052 0.000 . 2 . . . . 34 LEU HD2 . 16189 1 178 . 1 1 34 34 LEU HD23 H 1 0.052 0.000 . 2 . . . . 34 LEU HD2 . 16189 1 179 . 1 1 34 34 LEU HG H 1 1.490 0.000 . 1 . . . . 34 LEU HG . 16189 1 180 . 1 1 34 34 LEU C C 13 178.191 0.000 . 1 . . . . 34 LEU C . 16189 1 181 . 1 1 34 34 LEU CA C 13 57.602 0.000 . 1 . . . . 34 LEU CA . 16189 1 182 . 1 1 34 34 LEU CB C 13 43.231 0.000 . 1 . . . . 34 LEU CB . 16189 1 183 . 1 1 34 34 LEU CD1 C 13 26.944 0.000 . 1 . . . . 34 LEU CD1 . 16189 1 184 . 1 1 34 34 LEU CD2 C 13 23.888 0.000 . 1 . . . . 34 LEU CD2 . 16189 1 185 . 1 1 34 34 LEU CG C 13 26.473 0.000 . 1 . . . . 34 LEU CG . 16189 1 186 . 1 1 34 34 LEU N N 15 118.294 0.000 . 1 . . . . 34 LEU N . 16189 1 187 . 1 1 35 35 ARG H H 1 7.670 0.000 . 1 . . . . 35 ARG H . 16189 1 188 . 1 1 35 35 ARG HA H 1 3.781 0.000 . 1 . . . . 35 ARG HA . 16189 1 189 . 1 1 35 35 ARG HB2 H 1 1.919 0.000 . 2 . . . . 35 ARG HB2 . 16189 1 190 . 1 1 35 35 ARG HB3 H 1 1.678 0.000 . 2 . . . . 35 ARG HB3 . 16189 1 191 . 1 1 35 35 ARG HD2 H 1 3.109 0.000 . 2 . . . . 35 ARG HD2 . 16189 1 192 . 1 1 35 35 ARG HD3 H 1 3.109 0.000 . 2 . . . . 35 ARG HD3 . 16189 1 193 . 1 1 35 35 ARG HG2 H 1 1.476 0.000 . 2 . . . . 35 ARG HG2 . 16189 1 194 . 1 1 35 35 ARG HG3 H 1 1.476 0.000 . 2 . . . . 35 ARG HG3 . 16189 1 195 . 1 1 35 35 ARG C C 13 176.116 0.000 . 1 . . . . 35 ARG C . 16189 1 196 . 1 1 35 35 ARG CA C 13 57.577 0.000 . 1 . . . . 35 ARG CA . 16189 1 197 . 1 1 35 35 ARG CB C 13 30.578 0.000 . 1 . . . . 35 ARG CB . 16189 1 198 . 1 1 35 35 ARG CD C 13 43.457 0.000 . 1 . . . . 35 ARG CD . 16189 1 199 . 1 1 35 35 ARG CG C 13 28.848 0.000 . 1 . . . . 35 ARG CG . 16189 1 200 . 1 1 35 35 ARG N N 15 113.450 0.000 . 1 . . . . 35 ARG N . 16189 1 201 . 1 1 36 36 SER H H 1 7.285 0.000 . 1 . . . . 36 SER H . 16189 1 202 . 1 1 36 36 SER HA H 1 4.290 0.000 . 1 . . . . 36 SER HA . 16189 1 203 . 1 1 36 36 SER HB2 H 1 3.977 0.000 . 2 . . . . 36 SER HB2 . 16189 1 204 . 1 1 36 36 SER HB3 H 1 4.069 0.000 . 2 . . . . 36 SER HB3 . 16189 1 205 . 1 1 36 36 SER C C 13 175.474 0.000 . 1 . . . . 36 SER C . 16189 1 206 . 1 1 36 36 SER CA C 13 58.260 0.000 . 1 . . . . 36 SER CA . 16189 1 207 . 1 1 36 36 SER CB C 13 64.157 0.000 . 1 . . . . 36 SER CB . 16189 1 208 . 1 1 36 36 SER N N 15 115.777 0.000 . 1 . . . . 36 SER N . 16189 1 209 . 1 1 37 37 GLU H H 1 8.953 0.000 . 1 . . . . 37 GLU H . 16189 1 210 . 1 1 37 37 GLU HA H 1 4.164 0.000 . 1 . . . . 37 GLU HA . 16189 1 211 . 1 1 37 37 GLU HB2 H 1 2.083 0.000 . 2 . . . . 37 GLU HB2 . 16189 1 212 . 1 1 37 37 GLU HB3 H 1 1.983 0.000 . 2 . . . . 37 GLU HB3 . 16189 1 213 . 1 1 37 37 GLU HG2 H 1 2.363 0.000 . 2 . . . . 37 GLU HG2 . 16189 1 214 . 1 1 37 37 GLU HG3 H 1 2.320 0.000 . 2 . . . . 37 GLU HG3 . 16189 1 215 . 1 1 37 37 GLU C C 13 177.571 0.000 . 1 . . . . 37 GLU C . 16189 1 216 . 1 1 37 37 GLU CA C 13 57.698 0.000 . 1 . . . . 37 GLU CA . 16189 1 217 . 1 1 37 37 GLU CB C 13 29.148 0.000 . 1 . . . . 37 GLU CB . 16189 1 218 . 1 1 37 37 GLU CG C 13 36.265 0.000 . 1 . . . . 37 GLU CG . 16189 1 219 . 1 1 37 37 GLU N N 15 124.369 0.000 . 1 . . . . 37 GLU N . 16189 1 220 . 1 1 38 38 GLN H H 1 8.058 0.000 . 1 . . . . 38 GLN H . 16189 1 221 . 1 1 38 38 GLN HA H 1 4.048 0.000 . 1 . . . . 38 GLN HA . 16189 1 222 . 1 1 38 38 GLN HB2 H 1 2.123 0.000 . 2 . . . . 38 GLN HB2 . 16189 1 223 . 1 1 38 38 GLN HB3 H 1 1.934 0.000 . 2 . . . . 38 GLN HB3 . 16189 1 224 . 1 1 38 38 GLN HG2 H 1 2.387 0.000 . 2 . . . . 38 GLN HG2 . 16189 1 225 . 1 1 38 38 GLN HG3 H 1 2.368 0.000 . 2 . . . . 38 GLN HG3 . 16189 1 226 . 1 1 38 38 GLN C C 13 174.991 0.000 . 1 . . . . 38 GLN C . 16189 1 227 . 1 1 38 38 GLN CA C 13 56.998 0.000 . 1 . . . . 38 GLN CA . 16189 1 228 . 1 1 38 38 GLN CB C 13 28.529 0.000 . 1 . . . . 38 GLN CB . 16189 1 229 . 1 1 38 38 GLN CG C 13 34.358 0.000 . 1 . . . . 38 GLN CG . 16189 1 230 . 1 1 38 38 GLN N N 15 115.901 0.000 . 1 . . . . 38 GLN N . 16189 1 231 . 1 1 39 39 LEU H H 1 7.159 0.000 . 1 . . . . 39 LEU H . 16189 1 232 . 1 1 39 39 LEU HA H 1 4.789 0.000 . 1 . . . . 39 LEU HA . 16189 1 233 . 1 1 39 39 LEU HB2 H 1 1.580 0.000 . 2 . . . . 39 LEU HB2 . 16189 1 234 . 1 1 39 39 LEU HB3 H 1 0.892 0.000 . 2 . . . . 39 LEU HB3 . 16189 1 235 . 1 1 39 39 LEU HD11 H 1 0.273 0.000 . 2 . . . . 39 LEU HD1 . 16189 1 236 . 1 1 39 39 LEU HD12 H 1 0.273 0.000 . 2 . . . . 39 LEU HD1 . 16189 1 237 . 1 1 39 39 LEU HD13 H 1 0.273 0.000 . 2 . . . . 39 LEU HD1 . 16189 1 238 . 1 1 39 39 LEU HD21 H 1 -0.466 0.000 . 2 . . . . 39 LEU HD2 . 16189 1 239 . 1 1 39 39 LEU HD22 H 1 -0.466 0.000 . 2 . . . . 39 LEU HD2 . 16189 1 240 . 1 1 39 39 LEU HD23 H 1 -0.466 0.000 . 2 . . . . 39 LEU HD2 . 16189 1 241 . 1 1 39 39 LEU HG H 1 0.865 0.000 . 1 . . . . 39 LEU HG . 16189 1 242 . 1 1 39 39 LEU CA C 13 51.008 0.000 . 1 . . . . 39 LEU CA . 16189 1 243 . 1 1 39 39 LEU CB C 13 42.464 0.000 . 1 . . . . 39 LEU CB . 16189 1 244 . 1 1 39 39 LEU CD1 C 13 23.062 0.000 . 1 . . . . 39 LEU CD1 . 16189 1 245 . 1 1 39 39 LEU CD2 C 13 24.065 0.000 . 1 . . . . 39 LEU CD2 . 16189 1 246 . 1 1 39 39 LEU CG C 13 26.573 0.000 . 1 . . . . 39 LEU CG . 16189 1 247 . 1 1 39 39 LEU N N 15 123.248 0.000 . 1 . . . . 39 LEU N . 16189 1 248 . 1 1 40 40 PRO HA H 1 4.493 0.000 . 1 . . . . 40 PRO HA . 16189 1 249 . 1 1 40 40 PRO HB2 H 1 2.468 0.000 . 2 . . . . 40 PRO HB2 . 16189 1 250 . 1 1 40 40 PRO HB3 H 1 1.927 0.000 . 2 . . . . 40 PRO HB3 . 16189 1 251 . 1 1 40 40 PRO HD2 H 1 3.741 0.000 . 2 . . . . 40 PRO HD2 . 16189 1 252 . 1 1 40 40 PRO HD3 H 1 4.060 0.000 . 2 . . . . 40 PRO HD3 . 16189 1 253 . 1 1 40 40 PRO HG2 H 1 1.990 0.000 . 2 . . . . 40 PRO HG2 . 16189 1 254 . 1 1 40 40 PRO HG3 H 1 1.990 0.000 . 2 . . . . 40 PRO HG3 . 16189 1 255 . 1 1 40 40 PRO C C 13 177.902 0.000 . 1 . . . . 40 PRO C . 16189 1 256 . 1 1 40 40 PRO CA C 13 62.331 0.000 . 1 . . . . 40 PRO CA . 16189 1 257 . 1 1 40 40 PRO CB C 13 32.785 0.000 . 1 . . . . 40 PRO CB . 16189 1 258 . 1 1 40 40 PRO CD C 13 51.336 0.000 . 1 . . . . 40 PRO CD . 16189 1 259 . 1 1 40 40 PRO CG C 13 27.742 0.000 . 1 . . . . 40 PRO CG . 16189 1 260 . 1 1 41 41 LYS H H 1 8.811 0.000 . 1 . . . . 41 LYS H . 16189 1 261 . 1 1 41 41 LYS HA H 1 3.588 0.000 . 1 . . . . 41 LYS HA . 16189 1 262 . 1 1 41 41 LYS HB2 H 1 2.025 0.000 . 2 . . . . 41 LYS HB2 . 16189 1 263 . 1 1 41 41 LYS HB3 H 1 1.509 0.000 . 2 . . . . 41 LYS HB3 . 16189 1 264 . 1 1 41 41 LYS HD2 H 1 1.911 0.000 . 2 . . . . 41 LYS HD2 . 16189 1 265 . 1 1 41 41 LYS HD3 H 1 1.911 0.000 . 2 . . . . 41 LYS HD3 . 16189 1 266 . 1 1 41 41 LYS HE2 H 1 3.074 0.000 . 2 . . . . 41 LYS HE2 . 16189 1 267 . 1 1 41 41 LYS HE3 H 1 3.143 0.000 . 2 . . . . 41 LYS HE3 . 16189 1 268 . 1 1 41 41 LYS HG2 H 1 1.804 0.000 . 2 . . . . 41 LYS HG2 . 16189 1 269 . 1 1 41 41 LYS HG3 H 1 1.201 0.000 . 2 . . . . 41 LYS HG3 . 16189 1 270 . 1 1 41 41 LYS C C 13 179.156 0.000 . 1 . . . . 41 LYS C . 16189 1 271 . 1 1 41 41 LYS CA C 13 61.074 0.000 . 1 . . . . 41 LYS CA . 16189 1 272 . 1 1 41 41 LYS CB C 13 32.507 0.000 . 1 . . . . 41 LYS CB . 16189 1 273 . 1 1 41 41 LYS CD C 13 29.827 0.000 . 1 . . . . 41 LYS CD . 16189 1 274 . 1 1 41 41 LYS CE C 13 42.028 0.000 . 1 . . . . 41 LYS CE . 16189 1 275 . 1 1 41 41 LYS CG C 13 26.470 0.000 . 1 . . . . 41 LYS CG . 16189 1 276 . 1 1 41 41 LYS N N 15 121.490 0.000 . 1 . . . . 41 LYS N . 16189 1 277 . 1 1 42 42 LYS H H 1 8.902 0.000 . 1 . . . . 42 LYS H . 16189 1 278 . 1 1 42 42 LYS HA H 1 3.842 0.000 . 1 . . . . 42 LYS HA . 16189 1 279 . 1 1 42 42 LYS HB2 H 1 1.898 0.000 . 2 . . . . 42 LYS HB2 . 16189 1 280 . 1 1 42 42 LYS HB3 H 1 1.841 0.000 . 2 . . . . 42 LYS HB3 . 16189 1 281 . 1 1 42 42 LYS HD2 H 1 1.742 0.000 . 2 . . . . 42 LYS HD2 . 16189 1 282 . 1 1 42 42 LYS HD3 H 1 1.742 0.000 . 2 . . . . 42 LYS HD3 . 16189 1 283 . 1 1 42 42 LYS HE2 H 1 2.986 0.000 . 2 . . . . 42 LYS HE2 . 16189 1 284 . 1 1 42 42 LYS HE3 H 1 2.986 0.000 . 2 . . . . 42 LYS HE3 . 16189 1 285 . 1 1 42 42 LYS HG2 H 1 1.580 0.000 . 2 . . . . 42 LYS HG2 . 16189 1 286 . 1 1 42 42 LYS HG3 H 1 1.347 0.000 . 2 . . . . 42 LYS HG3 . 16189 1 287 . 1 1 42 42 LYS C C 13 176.946 0.000 . 1 . . . . 42 LYS C . 16189 1 288 . 1 1 42 42 LYS CA C 13 60.080 0.000 . 1 . . . . 42 LYS CA . 16189 1 289 . 1 1 42 42 LYS CB C 13 31.585 0.000 . 1 . . . . 42 LYS CB . 16189 1 290 . 1 1 42 42 LYS CD C 13 29.378 0.000 . 1 . . . . 42 LYS CD . 16189 1 291 . 1 1 42 42 LYS CE C 13 42.324 0.000 . 1 . . . . 42 LYS CE . 16189 1 292 . 1 1 42 42 LYS CG C 13 24.755 0.000 . 1 . . . . 42 LYS CG . 16189 1 293 . 1 1 42 42 LYS N N 15 115.513 0.000 . 1 . . . . 42 LYS N . 16189 1 294 . 1 1 43 43 ASP H H 1 7.260 0.000 . 1 . . . . 43 ASP H . 16189 1 295 . 1 1 43 43 ASP HA H 1 4.549 0.000 . 1 . . . . 43 ASP HA . 16189 1 296 . 1 1 43 43 ASP HB2 H 1 2.697 0.000 . 2 . . . . 43 ASP HB2 . 16189 1 297 . 1 1 43 43 ASP HB3 H 1 2.697 0.000 . 2 . . . . 43 ASP HB3 . 16189 1 298 . 1 1 43 43 ASP C C 13 179.303 0.000 . 1 . . . . 43 ASP C . 16189 1 299 . 1 1 43 43 ASP CA C 13 57.555 0.000 . 1 . . . . 43 ASP CA . 16189 1 300 . 1 1 43 43 ASP CB C 13 39.925 0.000 . 1 . . . . 43 ASP CB . 16189 1 301 . 1 1 43 43 ASP N N 15 120.534 0.000 . 1 . . . . 43 ASP N . 16189 1 302 . 1 1 44 44 ILE H H 1 7.227 0.000 . 1 . . . . 44 ILE H . 16189 1 303 . 1 1 44 44 ILE HA H 1 3.999 0.000 . 1 . . . . 44 ILE HA . 16189 1 304 . 1 1 44 44 ILE HB H 1 1.861 0.000 . 1 . . . . 44 ILE HB . 16189 1 305 . 1 1 44 44 ILE HD11 H 1 0.587 0.000 . 1 . . . . 44 ILE HD1 . 16189 1 306 . 1 1 44 44 ILE HD12 H 1 0.587 0.000 . 1 . . . . 44 ILE HD1 . 16189 1 307 . 1 1 44 44 ILE HD13 H 1 0.587 0.000 . 1 . . . . 44 ILE HD1 . 16189 1 308 . 1 1 44 44 ILE HG12 H 1 1.311 0.000 . 2 . . . . 44 ILE HG12 . 16189 1 309 . 1 1 44 44 ILE HG13 H 1 0.161 0.000 . 2 . . . . 44 ILE HG13 . 16189 1 310 . 1 1 44 44 ILE HG21 H 1 0.994 0.000 . 1 . . . . 44 ILE HG2 . 16189 1 311 . 1 1 44 44 ILE HG22 H 1 0.994 0.000 . 1 . . . . 44 ILE HG2 . 16189 1 312 . 1 1 44 44 ILE HG23 H 1 0.994 0.000 . 1 . . . . 44 ILE HG2 . 16189 1 313 . 1 1 44 44 ILE C C 13 178.162 0.000 . 1 . . . . 44 ILE C . 16189 1 314 . 1 1 44 44 ILE CA C 13 65.129 0.000 . 1 . . . . 44 ILE CA . 16189 1 315 . 1 1 44 44 ILE CB C 13 38.709 0.000 . 1 . . . . 44 ILE CB . 16189 1 316 . 1 1 44 44 ILE CD1 C 13 14.764 0.000 . 1 . . . . 44 ILE CD1 . 16189 1 317 . 1 1 44 44 ILE CG1 C 13 26.840 0.000 . 1 . . . . 44 ILE CG1 . 16189 1 318 . 1 1 44 44 ILE CG2 C 13 18.049 0.000 . 1 . . . . 44 ILE CG2 . 16189 1 319 . 1 1 44 44 ILE N N 15 120.720 0.000 . 1 . . . . 44 ILE N . 16189 1 320 . 1 1 45 45 ILE H H 1 8.417 0.000 . 1 . . . . 45 ILE H . 16189 1 321 . 1 1 45 45 ILE HA H 1 3.583 0.000 . 1 . . . . 45 ILE HA . 16189 1 322 . 1 1 45 45 ILE HB H 1 1.784 0.000 . 1 . . . . 45 ILE HB . 16189 1 323 . 1 1 45 45 ILE HD11 H 1 0.807 0.000 . 1 . . . . 45 ILE HD1 . 16189 1 324 . 1 1 45 45 ILE HD12 H 1 0.807 0.000 . 1 . . . . 45 ILE HD1 . 16189 1 325 . 1 1 45 45 ILE HD13 H 1 0.807 0.000 . 1 . . . . 45 ILE HD1 . 16189 1 326 . 1 1 45 45 ILE HG12 H 1 0.815 0.000 . 2 . . . . 45 ILE HG12 . 16189 1 327 . 1 1 45 45 ILE HG13 H 1 0.815 0.000 . 2 . . . . 45 ILE HG13 . 16189 1 328 . 1 1 45 45 ILE HG21 H 1 0.951 0.000 . 1 . . . . 45 ILE HG2 . 16189 1 329 . 1 1 45 45 ILE HG22 H 1 0.951 0.000 . 1 . . . . 45 ILE HG2 . 16189 1 330 . 1 1 45 45 ILE HG23 H 1 0.951 0.000 . 1 . . . . 45 ILE HG2 . 16189 1 331 . 1 1 45 45 ILE C C 13 177.076 0.000 . 1 . . . . 45 ILE C . 16189 1 332 . 1 1 45 45 ILE CA C 13 66.541 0.000 . 1 . . . . 45 ILE CA . 16189 1 333 . 1 1 45 45 ILE CB C 13 38.091 0.000 . 1 . . . . 45 ILE CB . 16189 1 334 . 1 1 45 45 ILE CD1 C 13 14.099 0.000 . 1 . . . . 45 ILE CD1 . 16189 1 335 . 1 1 45 45 ILE CG1 C 13 30.951 0.000 . 1 . . . . 45 ILE CG1 . 16189 1 336 . 1 1 45 45 ILE CG2 C 13 18.822 0.000 . 1 . . . . 45 ILE CG2 . 16189 1 337 . 1 1 45 45 ILE N N 15 118.850 0.000 . 1 . . . . 45 ILE N . 16189 1 338 . 1 1 46 46 LYS H H 1 8.547 0.000 . 1 . . . . 46 LYS H . 16189 1 339 . 1 1 46 46 LYS HA H 1 4.069 0.000 . 1 . . . . 46 LYS HA . 16189 1 340 . 1 1 46 46 LYS HB2 H 1 2.044 0.000 . 2 . . . . 46 LYS HB2 . 16189 1 341 . 1 1 46 46 LYS HB3 H 1 2.098 0.000 . 2 . . . . 46 LYS HB3 . 16189 1 342 . 1 1 46 46 LYS HD2 H 1 1.832 0.000 . 2 . . . . 46 LYS HD2 . 16189 1 343 . 1 1 46 46 LYS HD3 H 1 1.832 0.000 . 2 . . . . 46 LYS HD3 . 16189 1 344 . 1 1 46 46 LYS HE2 H 1 3.073 0.000 . 2 . . . . 46 LYS HE2 . 16189 1 345 . 1 1 46 46 LYS HE3 H 1 3.073 0.000 . 2 . . . . 46 LYS HE3 . 16189 1 346 . 1 1 46 46 LYS HG2 H 1 1.555 0.000 . 2 . . . . 46 LYS HG2 . 16189 1 347 . 1 1 46 46 LYS HG3 H 1 1.635 0.000 . 2 . . . . 46 LYS HG3 . 16189 1 348 . 1 1 46 46 LYS C C 13 178.082 0.000 . 1 . . . . 46 LYS C . 16189 1 349 . 1 1 46 46 LYS CA C 13 60.303 0.000 . 1 . . . . 46 LYS CA . 16189 1 350 . 1 1 46 46 LYS CB C 13 32.810 0.000 . 1 . . . . 46 LYS CB . 16189 1 351 . 1 1 46 46 LYS CD C 13 29.938 0.000 . 1 . . . . 46 LYS CD . 16189 1 352 . 1 1 46 46 LYS CE C 13 42.182 0.000 . 1 . . . . 46 LYS CE . 16189 1 353 . 1 1 46 46 LYS CG C 13 24.931 0.000 . 1 . . . . 46 LYS CG . 16189 1 354 . 1 1 46 46 LYS N N 15 119.855 0.000 . 1 . . . . 46 LYS N . 16189 1 355 . 1 1 47 47 PHE H H 1 7.685 0.000 . 1 . . . . 47 PHE H . 16189 1 356 . 1 1 47 47 PHE HA H 1 4.549 0.000 . 1 . . . . 47 PHE HA . 16189 1 357 . 1 1 47 47 PHE HB2 H 1 3.790 0.000 . 2 . . . . 47 PHE HB2 . 16189 1 358 . 1 1 47 47 PHE HB3 H 1 3.728 0.000 . 2 . . . . 47 PHE HB3 . 16189 1 359 . 1 1 47 47 PHE HD1 H 1 7.450 0.000 . 1 . . . . 47 PHE HD1 . 16189 1 360 . 1 1 47 47 PHE HD2 H 1 7.450 0.000 . 1 . . . . 47 PHE HD2 . 16189 1 361 . 1 1 47 47 PHE HE1 H 1 7.126 0.000 . 1 . . . . 47 PHE HE1 . 16189 1 362 . 1 1 47 47 PHE HE2 H 1 7.126 0.000 . 1 . . . . 47 PHE HE2 . 16189 1 363 . 1 1 47 47 PHE HZ H 1 7.034 0.000 . 1 . . . . 47 PHE HZ . 16189 1 364 . 1 1 47 47 PHE C C 13 178.375 0.000 . 1 . . . . 47 PHE C . 16189 1 365 . 1 1 47 47 PHE CA C 13 62.495 0.000 . 1 . . . . 47 PHE CA . 16189 1 366 . 1 1 47 47 PHE CB C 13 39.617 0.000 . 1 . . . . 47 PHE CB . 16189 1 367 . 1 1 47 47 PHE CD1 C 13 131.756 0.000 . 1 . . . . 47 PHE CD1 . 16189 1 368 . 1 1 47 47 PHE CD2 C 13 131.756 0.000 . 1 . . . . 47 PHE CD2 . 16189 1 369 . 1 1 47 47 PHE CE1 C 13 131.818 0.000 . 1 . . . . 47 PHE CE1 . 16189 1 370 . 1 1 47 47 PHE CE2 C 13 131.818 0.000 . 1 . . . . 47 PHE CE2 . 16189 1 371 . 1 1 47 47 PHE CZ C 13 129.329 0.000 . 1 . . . . 47 PHE CZ . 16189 1 372 . 1 1 47 47 PHE N N 15 117.977 0.000 . 1 . . . . 47 PHE N . 16189 1 373 . 1 1 48 48 LEU H H 1 8.723 0.000 . 1 . . . . 48 LEU H . 16189 1 374 . 1 1 48 48 LEU HA H 1 3.986 0.000 . 1 . . . . 48 LEU HA . 16189 1 375 . 1 1 48 48 LEU HB2 H 1 2.304 0.000 . 2 . . . . 48 LEU HB2 . 16189 1 376 . 1 1 48 48 LEU HB3 H 1 1.445 0.000 . 2 . . . . 48 LEU HB3 . 16189 1 377 . 1 1 48 48 LEU HD11 H 1 1.111 0.000 . 2 . . . . 48 LEU HD1 . 16189 1 378 . 1 1 48 48 LEU HD12 H 1 1.111 0.000 . 2 . . . . 48 LEU HD1 . 16189 1 379 . 1 1 48 48 LEU HD13 H 1 1.111 0.000 . 2 . . . . 48 LEU HD1 . 16189 1 380 . 1 1 48 48 LEU HD21 H 1 1.237 0.000 . 2 . . . . 48 LEU HD2 . 16189 1 381 . 1 1 48 48 LEU HD22 H 1 1.237 0.000 . 2 . . . . 48 LEU HD2 . 16189 1 382 . 1 1 48 48 LEU HD23 H 1 1.237 0.000 . 2 . . . . 48 LEU HD2 . 16189 1 383 . 1 1 48 48 LEU HG H 1 2.564 0.000 . 1 . . . . 48 LEU HG . 16189 1 384 . 1 1 48 48 LEU C C 13 178.759 0.000 . 1 . . . . 48 LEU C . 16189 1 385 . 1 1 48 48 LEU CA C 13 58.708 0.000 . 1 . . . . 48 LEU CA . 16189 1 386 . 1 1 48 48 LEU CB C 13 41.773 0.000 . 1 . . . . 48 LEU CB . 16189 1 387 . 1 1 48 48 LEU CD1 C 13 27.841 0.000 . 1 . . . . 48 LEU CD1 . 16189 1 388 . 1 1 48 48 LEU CD2 C 13 24.432 0.000 . 1 . . . . 48 LEU CD2 . 16189 1 389 . 1 1 48 48 LEU CG C 13 27.131 0.000 . 1 . . . . 48 LEU CG . 16189 1 390 . 1 1 48 48 LEU N N 15 119.665 0.000 . 1 . . . . 48 LEU N . 16189 1 391 . 1 1 49 49 GLN H H 1 9.123 0.000 . 1 . . . . 49 GLN H . 16189 1 392 . 1 1 49 49 GLN HA H 1 4.255 0.000 . 1 . . . . 49 GLN HA . 16189 1 393 . 1 1 49 49 GLN HB2 H 1 2.063 0.000 . 2 . . . . 49 GLN HB2 . 16189 1 394 . 1 1 49 49 GLN HB3 H 1 2.255 0.000 . 2 . . . . 49 GLN HB3 . 16189 1 395 . 1 1 49 49 GLN HE21 H 1 7.085 0.000 . 2 . . . . 49 GLN HE21 . 16189 1 396 . 1 1 49 49 GLN HE22 H 1 7.931 0.000 . 2 . . . . 49 GLN HE22 . 16189 1 397 . 1 1 49 49 GLN HG2 H 1 2.914 0.000 . 2 . . . . 49 GLN HG2 . 16189 1 398 . 1 1 49 49 GLN HG3 H 1 2.316 0.000 . 2 . . . . 49 GLN HG3 . 16189 1 399 . 1 1 49 49 GLN C C 13 178.043 0.000 . 1 . . . . 49 GLN C . 16189 1 400 . 1 1 49 49 GLN CA C 13 59.052 0.000 . 1 . . . . 49 GLN CA . 16189 1 401 . 1 1 49 49 GLN CB C 13 28.046 0.000 . 1 . . . . 49 GLN CB . 16189 1 402 . 1 1 49 49 GLN CG C 13 34.805 0.000 . 1 . . . . 49 GLN CG . 16189 1 403 . 1 1 49 49 GLN N N 15 116.634 0.000 . 1 . . . . 49 GLN N . 16189 1 404 . 1 1 49 49 GLN NE2 N 15 108.790 0.000 . 1 . . . . 49 GLN NE2 . 16189 1 405 . 1 1 50 50 GLU H H 1 7.968 0.000 . 1 . . . . 50 GLU H . 16189 1 406 . 1 1 50 50 GLU HA H 1 4.029 0.000 . 1 . . . . 50 GLU HA . 16189 1 407 . 1 1 50 50 GLU HB2 H 1 1.940 0.000 . 2 . . . . 50 GLU HB2 . 16189 1 408 . 1 1 50 50 GLU HB3 H 1 1.521 0.000 . 2 . . . . 50 GLU HB3 . 16189 1 409 . 1 1 50 50 GLU HG2 H 1 2.208 0.000 . 2 . . . . 50 GLU HG2 . 16189 1 410 . 1 1 50 50 GLU HG3 H 1 1.810 0.000 . 2 . . . . 50 GLU HG3 . 16189 1 411 . 1 1 50 50 GLU C C 13 177.588 0.000 . 1 . . . . 50 GLU C . 16189 1 412 . 1 1 50 50 GLU CA C 13 57.877 0.000 . 1 . . . . 50 GLU CA . 16189 1 413 . 1 1 50 50 GLU CB C 13 29.876 0.000 . 1 . . . . 50 GLU CB . 16189 1 414 . 1 1 50 50 GLU CG C 13 36.332 0.000 . 1 . . . . 50 GLU CG . 16189 1 415 . 1 1 50 50 GLU N N 15 116.777 0.000 . 1 . . . . 50 GLU N . 16189 1 416 . 1 1 51 51 HIS H H 1 7.344 0.000 . 1 . . . . 51 HIS H . 16189 1 417 . 1 1 51 51 HIS HA H 1 4.697 0.000 . 1 . . . . 51 HIS HA . 16189 1 418 . 1 1 51 51 HIS HB2 H 1 3.009 0.000 . 2 . . . . 51 HIS HB2 . 16189 1 419 . 1 1 51 51 HIS HB3 H 1 2.121 0.000 . 2 . . . . 51 HIS HB3 . 16189 1 420 . 1 1 51 51 HIS HD2 H 1 7.243 0.000 . 1 . . . . 51 HIS HD2 . 16189 1 421 . 1 1 51 51 HIS C C 13 175.289 0.000 . 1 . . . . 51 HIS C . 16189 1 422 . 1 1 51 51 HIS CA C 13 57.454 0.000 . 1 . . . . 51 HIS CA . 16189 1 423 . 1 1 51 51 HIS CB C 13 31.245 0.000 . 1 . . . . 51 HIS CB . 16189 1 424 . 1 1 51 51 HIS CD2 C 13 119.336 0.000 . 1 . . . . 51 HIS CD2 . 16189 1 425 . 1 1 51 51 HIS N N 15 112.045 0.000 . 1 . . . . 51 HIS N . 16189 1 426 . 1 1 52 52 GLY H H 1 8.768 0.000 . 1 . . . . 52 GLY H . 16189 1 427 . 1 1 52 52 GLY HA2 H 1 4.216 0.000 . 2 . . . . 52 GLY HA2 . 16189 1 428 . 1 1 52 52 GLY HA3 H 1 3.380 0.000 . 2 . . . . 52 GLY HA3 . 16189 1 429 . 1 1 52 52 GLY C C 13 172.112 0.000 . 1 . . . . 52 GLY C . 16189 1 430 . 1 1 52 52 GLY CA C 13 44.624 0.000 . 1 . . . . 52 GLY CA . 16189 1 431 . 1 1 52 52 GLY N N 15 109.849 0.000 . 1 . . . . 52 GLY N . 16189 1 432 . 1 1 53 53 SER H H 1 8.364 0.000 . 1 . . . . 53 SER H . 16189 1 433 . 1 1 53 53 SER HA H 1 4.290 0.000 . 1 . . . . 53 SER HA . 16189 1 434 . 1 1 53 53 SER HB2 H 1 4.305 0.000 . 2 . . . . 53 SER HB2 . 16189 1 435 . 1 1 53 53 SER HB3 H 1 3.706 0.000 . 2 . . . . 53 SER HB3 . 16189 1 436 . 1 1 53 53 SER C C 13 174.000 0.000 . 1 . . . . 53 SER C . 16189 1 437 . 1 1 53 53 SER CA C 13 57.823 0.000 . 1 . . . . 53 SER CA . 16189 1 438 . 1 1 53 53 SER CB C 13 64.299 0.000 . 1 . . . . 53 SER CB . 16189 1 439 . 1 1 53 53 SER N N 15 118.006 0.000 . 1 . . . . 53 SER N . 16189 1 440 . 1 1 54 54 ASP H H 1 9.114 0.000 . 1 . . . . 54 ASP H . 16189 1 441 . 1 1 54 54 ASP HA H 1 4.410 0.000 . 1 . . . . 54 ASP HA . 16189 1 442 . 1 1 54 54 ASP HB2 H 1 2.717 0.000 . 2 . . . . 54 ASP HB2 . 16189 1 443 . 1 1 54 54 ASP HB3 H 1 2.717 0.000 . 2 . . . . 54 ASP HB3 . 16189 1 444 . 1 1 54 54 ASP C C 13 179.016 0.000 . 1 . . . . 54 ASP C . 16189 1 445 . 1 1 54 54 ASP CA C 13 58.341 0.000 . 1 . . . . 54 ASP CA . 16189 1 446 . 1 1 54 54 ASP CB C 13 39.832 0.000 . 1 . . . . 54 ASP CB . 16189 1 447 . 1 1 54 54 ASP N N 15 122.130 0.000 . 1 . . . . 54 ASP N . 16189 1 448 . 1 1 55 55 SER H H 1 8.537 0.000 . 1 . . . . 55 SER H . 16189 1 449 . 1 1 55 55 SER HA H 1 4.224 0.000 . 1 . . . . 55 SER HA . 16189 1 450 . 1 1 55 55 SER HB2 H 1 3.955 0.000 . 2 . . . . 55 SER HB2 . 16189 1 451 . 1 1 55 55 SER HB3 H 1 3.892 0.000 . 2 . . . . 55 SER HB3 . 16189 1 452 . 1 1 55 55 SER C C 13 176.781 0.000 . 1 . . . . 55 SER C . 16189 1 453 . 1 1 55 55 SER CA C 13 60.967 0.000 . 1 . . . . 55 SER CA . 16189 1 454 . 1 1 55 55 SER CB C 13 61.848 0.000 . 1 . . . . 55 SER CB . 16189 1 455 . 1 1 55 55 SER N N 15 114.490 0.000 . 1 . . . . 55 SER N . 16189 1 456 . 1 1 56 56 PHE H H 1 7.869 0.000 . 1 . . . . 56 PHE H . 16189 1 457 . 1 1 56 56 PHE HA H 1 4.075 0.000 . 1 . . . . 56 PHE HA . 16189 1 458 . 1 1 56 56 PHE HB2 H 1 3.523 0.000 . 2 . . . . 56 PHE HB2 . 16189 1 459 . 1 1 56 56 PHE HB3 H 1 3.007 0.000 . 2 . . . . 56 PHE HB3 . 16189 1 460 . 1 1 56 56 PHE HD1 H 1 7.052 0.000 . 1 . . . . 56 PHE HD1 . 16189 1 461 . 1 1 56 56 PHE HD2 H 1 7.052 0.000 . 1 . . . . 56 PHE HD2 . 16189 1 462 . 1 1 56 56 PHE C C 13 177.617 0.000 . 1 . . . . 56 PHE C . 16189 1 463 . 1 1 56 56 PHE CA C 13 62.117 0.000 . 1 . . . . 56 PHE CA . 16189 1 464 . 1 1 56 56 PHE CB C 13 39.211 0.000 . 1 . . . . 56 PHE CB . 16189 1 465 . 1 1 56 56 PHE CD1 C 13 131.734 0.000 . 1 . . . . 56 PHE CD1 . 16189 1 466 . 1 1 56 56 PHE CD2 C 13 131.734 0.000 . 1 . . . . 56 PHE CD2 . 16189 1 467 . 1 1 56 56 PHE N N 15 126.827 0.000 . 1 . . . . 56 PHE N . 16189 1 468 . 1 1 57 57 LEU H H 1 8.883 0.000 . 1 . . . . 57 LEU H . 16189 1 469 . 1 1 57 57 LEU HA H 1 3.743 0.000 . 1 . . . . 57 LEU HA . 16189 1 470 . 1 1 57 57 LEU HB2 H 1 2.072 0.000 . 2 . . . . 57 LEU HB2 . 16189 1 471 . 1 1 57 57 LEU HB3 H 1 1.094 0.000 . 2 . . . . 57 LEU HB3 . 16189 1 472 . 1 1 57 57 LEU HD21 H 1 0.933 0.000 . 2 . . . . 57 LEU HD2 . 16189 1 473 . 1 1 57 57 LEU HD22 H 1 0.933 0.000 . 2 . . . . 57 LEU HD2 . 16189 1 474 . 1 1 57 57 LEU HD23 H 1 0.933 0.000 . 2 . . . . 57 LEU HD2 . 16189 1 475 . 1 1 57 57 LEU HG H 1 1.090 0.000 . 1 . . . . 57 LEU HG . 16189 1 476 . 1 1 57 57 LEU C C 13 179.846 0.000 . 1 . . . . 57 LEU C . 16189 1 477 . 1 1 57 57 LEU CA C 13 57.874 0.000 . 1 . . . . 57 LEU CA . 16189 1 478 . 1 1 57 57 LEU CB C 13 41.812 0.000 . 1 . . . . 57 LEU CB . 16189 1 479 . 1 1 57 57 LEU CD2 C 13 22.283 0.000 . 1 . . . . 57 LEU CD2 . 16189 1 480 . 1 1 57 57 LEU CG C 13 27.298 0.000 . 1 . . . . 57 LEU CG . 16189 1 481 . 1 1 57 57 LEU N N 15 120.673 0.000 . 1 . . . . 57 LEU N . 16189 1 482 . 1 1 58 58 ALA H H 1 8.586 0.000 . 1 . . . . 58 ALA H . 16189 1 483 . 1 1 58 58 ALA HA H 1 4.083 0.000 . 1 . . . . 58 ALA HA . 16189 1 484 . 1 1 58 58 ALA HB1 H 1 1.537 0.000 . 1 . . . . 58 ALA HB . 16189 1 485 . 1 1 58 58 ALA HB2 H 1 1.537 0.000 . 1 . . . . 58 ALA HB . 16189 1 486 . 1 1 58 58 ALA HB3 H 1 1.537 0.000 . 1 . . . . 58 ALA HB . 16189 1 487 . 1 1 58 58 ALA C C 13 181.928 0.000 . 1 . . . . 58 ALA C . 16189 1 488 . 1 1 58 58 ALA CA C 13 55.216 0.000 . 1 . . . . 58 ALA CA . 16189 1 489 . 1 1 58 58 ALA CB C 13 18.154 0.000 . 1 . . . . 58 ALA CB . 16189 1 490 . 1 1 58 58 ALA N N 15 122.291 0.000 . 1 . . . . 58 ALA N . 16189 1 491 . 1 1 59 59 GLU H H 1 8.006 0.000 . 1 . . . . 59 GLU H . 16189 1 492 . 1 1 59 59 GLU HA H 1 3.876 0.000 . 1 . . . . 59 GLU HA . 16189 1 493 . 1 1 59 59 GLU HB2 H 1 2.074 0.000 . 2 . . . . 59 GLU HB2 . 16189 1 494 . 1 1 59 59 GLU HB3 H 1 1.840 0.000 . 2 . . . . 59 GLU HB3 . 16189 1 495 . 1 1 59 59 GLU HG2 H 1 2.280 0.000 . 2 . . . . 59 GLU HG2 . 16189 1 496 . 1 1 59 59 GLU HG3 H 1 1.861 0.000 . 2 . . . . 59 GLU HG3 . 16189 1 497 . 1 1 59 59 GLU C C 13 177.692 0.000 . 1 . . . . 59 GLU C . 16189 1 498 . 1 1 59 59 GLU CA C 13 58.939 0.000 . 1 . . . . 59 GLU CA . 16189 1 499 . 1 1 59 59 GLU CB C 13 29.526 0.000 . 1 . . . . 59 GLU CB . 16189 1 500 . 1 1 59 59 GLU CG C 13 35.877 0.000 . 1 . . . . 59 GLU CG . 16189 1 501 . 1 1 59 59 GLU N N 15 119.967 0.000 . 1 . . . . 59 GLU N . 16189 1 502 . 1 1 60 60 HIS H H 1 7.103 0.000 . 1 . . . . 60 HIS H . 16189 1 503 . 1 1 60 60 HIS HA H 1 4.455 0.000 . 1 . . . . 60 HIS HA . 16189 1 504 . 1 1 60 60 HIS HB2 H 1 3.204 0.000 . 2 . . . . 60 HIS HB2 . 16189 1 505 . 1 1 60 60 HIS HB3 H 1 2.204 0.000 . 2 . . . . 60 HIS HB3 . 16189 1 506 . 1 1 60 60 HIS C C 13 172.858 0.000 . 1 . . . . 60 HIS C . 16189 1 507 . 1 1 60 60 HIS CA C 13 57.040 0.000 . 1 . . . . 60 HIS CA . 16189 1 508 . 1 1 60 60 HIS CB C 13 30.125 0.000 . 1 . . . . 60 HIS CB . 16189 1 509 . 1 1 60 60 HIS N N 15 113.629 0.000 . 1 . . . . 60 HIS N . 16189 1 510 . 1 1 61 61 LYS H H 1 7.828 0.000 . 1 . . . . 61 LYS H . 16189 1 511 . 1 1 61 61 LYS HA H 1 4.084 0.000 . 1 . . . . 61 LYS HA . 16189 1 512 . 1 1 61 61 LYS HB2 H 1 2.073 0.000 . 2 . . . . 61 LYS HB2 . 16189 1 513 . 1 1 61 61 LYS HB3 H 1 1.927 0.000 . 2 . . . . 61 LYS HB3 . 16189 1 514 . 1 1 61 61 LYS HD2 H 1 1.722 0.000 . 2 . . . . 61 LYS HD2 . 16189 1 515 . 1 1 61 61 LYS HD3 H 1 1.639 0.000 . 2 . . . . 61 LYS HD3 . 16189 1 516 . 1 1 61 61 LYS HE2 H 1 2.981 0.000 . 2 . . . . 61 LYS HE2 . 16189 1 517 . 1 1 61 61 LYS HE3 H 1 2.981 0.000 . 2 . . . . 61 LYS HE3 . 16189 1 518 . 1 1 61 61 LYS HG2 H 1 1.342 0.000 . 2 . . . . 61 LYS HG2 . 16189 1 519 . 1 1 61 61 LYS HG3 H 1 1.686 0.000 . 2 . . . . 61 LYS HG3 . 16189 1 520 . 1 1 61 61 LYS C C 13 176.812 0.000 . 1 . . . . 61 LYS C . 16189 1 521 . 1 1 61 61 LYS CA C 13 57.528 0.000 . 1 . . . . 61 LYS CA . 16189 1 522 . 1 1 61 61 LYS CB C 13 28.313 0.000 . 1 . . . . 61 LYS CB . 16189 1 523 . 1 1 61 61 LYS CD C 13 29.006 0.000 . 1 . . . . 61 LYS CD . 16189 1 524 . 1 1 61 61 LYS CE C 13 42.217 0.000 . 1 . . . . 61 LYS CE . 16189 1 525 . 1 1 61 61 LYS CG C 13 25.136 0.000 . 1 . . . . 61 LYS CG . 16189 1 526 . 1 1 61 61 LYS N N 15 117.116 0.000 . 1 . . . . 61 LYS N . 16189 1 527 . 1 1 62 62 LEU H H 1 8.351 0.000 . 1 . . . . 62 LEU H . 16189 1 528 . 1 1 62 62 LEU HA H 1 4.610 0.000 . 1 . . . . 62 LEU HA . 16189 1 529 . 1 1 62 62 LEU HB2 H 1 1.821 0.000 . 2 . . . . 62 LEU HB2 . 16189 1 530 . 1 1 62 62 LEU HB3 H 1 1.524 0.000 . 2 . . . . 62 LEU HB3 . 16189 1 531 . 1 1 62 62 LEU HD11 H 1 0.782 0.000 . 2 . . . . 62 LEU HD1 . 16189 1 532 . 1 1 62 62 LEU HD12 H 1 0.782 0.000 . 2 . . . . 62 LEU HD1 . 16189 1 533 . 1 1 62 62 LEU HD13 H 1 0.782 0.000 . 2 . . . . 62 LEU HD1 . 16189 1 534 . 1 1 62 62 LEU HD21 H 1 0.741 0.000 . 2 . . . . 62 LEU HD2 . 16189 1 535 . 1 1 62 62 LEU HD22 H 1 0.741 0.000 . 2 . . . . 62 LEU HD2 . 16189 1 536 . 1 1 62 62 LEU HD23 H 1 0.741 0.000 . 2 . . . . 62 LEU HD2 . 16189 1 537 . 1 1 62 62 LEU HG H 1 1.720 0.000 . 1 . . . . 62 LEU HG . 16189 1 538 . 1 1 62 62 LEU C C 13 175.348 0.000 . 1 . . . . 62 LEU C . 16189 1 539 . 1 1 62 62 LEU CA C 13 53.250 0.000 . 1 . . . . 62 LEU CA . 16189 1 540 . 1 1 62 62 LEU CB C 13 44.157 0.000 . 1 . . . . 62 LEU CB . 16189 1 541 . 1 1 62 62 LEU CD1 C 13 28.215 0.000 . 1 . . . . 62 LEU CD1 . 16189 1 542 . 1 1 62 62 LEU CD2 C 13 23.562 0.000 . 1 . . . . 62 LEU CD2 . 16189 1 543 . 1 1 62 62 LEU CG C 13 25.753 0.000 . 1 . . . . 62 LEU CG . 16189 1 544 . 1 1 62 62 LEU N N 15 115.836 0.000 . 1 . . . . 62 LEU N . 16189 1 545 . 1 1 63 63 LEU H H 1 7.423 0.000 . 1 . . . . 63 LEU H . 16189 1 546 . 1 1 63 63 LEU HA H 1 4.358 0.000 . 1 . . . . 63 LEU HA . 16189 1 547 . 1 1 63 63 LEU HB2 H 1 1.620 0.000 . 2 . . . . 63 LEU HB2 . 16189 1 548 . 1 1 63 63 LEU HB3 H 1 1.476 0.000 . 2 . . . . 63 LEU HB3 . 16189 1 549 . 1 1 63 63 LEU HD11 H 1 0.933 0.000 . 2 . . . . 63 LEU HD1 . 16189 1 550 . 1 1 63 63 LEU HD12 H 1 0.933 0.000 . 2 . . . . 63 LEU HD1 . 16189 1 551 . 1 1 63 63 LEU HD13 H 1 0.933 0.000 . 2 . . . . 63 LEU HD1 . 16189 1 552 . 1 1 63 63 LEU HD21 H 1 0.912 0.000 . 2 . . . . 63 LEU HD2 . 16189 1 553 . 1 1 63 63 LEU HD22 H 1 0.912 0.000 . 2 . . . . 63 LEU HD2 . 16189 1 554 . 1 1 63 63 LEU HD23 H 1 0.912 0.000 . 2 . . . . 63 LEU HD2 . 16189 1 555 . 1 1 63 63 LEU HG H 1 1.357 0.000 . 1 . . . . 63 LEU HG . 16189 1 556 . 1 1 63 63 LEU C C 13 176.840 0.000 . 1 . . . . 63 LEU C . 16189 1 557 . 1 1 63 63 LEU CA C 13 54.627 0.000 . 1 . . . . 63 LEU CA . 16189 1 558 . 1 1 63 63 LEU CB C 13 42.947 0.000 . 1 . . . . 63 LEU CB . 16189 1 559 . 1 1 63 63 LEU CD1 C 13 25.237 0.000 . 1 . . . . 63 LEU CD1 . 16189 1 560 . 1 1 63 63 LEU CD2 C 13 24.443 0.000 . 1 . . . . 63 LEU CD2 . 16189 1 561 . 1 1 63 63 LEU CG C 13 26.847 0.000 . 1 . . . . 63 LEU CG . 16189 1 562 . 1 1 63 63 LEU N N 15 118.920 0.000 . 1 . . . . 63 LEU N . 16189 1 563 . 1 1 64 64 GLY H H 1 8.318 0.000 . 1 . . . . 64 GLY H . 16189 1 564 . 1 1 64 64 GLY HA2 H 1 4.285 0.000 . 2 . . . . 64 GLY HA2 . 16189 1 565 . 1 1 64 64 GLY HA3 H 1 3.709 0.000 . 2 . . . . 64 GLY HA3 . 16189 1 566 . 1 1 64 64 GLY C C 13 172.866 0.000 . 1 . . . . 64 GLY C . 16189 1 567 . 1 1 64 64 GLY CA C 13 43.600 0.000 . 1 . . . . 64 GLY CA . 16189 1 568 . 1 1 64 64 GLY N N 15 109.728 0.000 . 1 . . . . 64 GLY N . 16189 1 569 . 1 1 65 65 ASN H H 1 8.512 0.000 . 1 . . . . 65 ASN H . 16189 1 570 . 1 1 65 65 ASN HA H 1 4.614 0.000 . 1 . . . . 65 ASN HA . 16189 1 571 . 1 1 65 65 ASN HB2 H 1 2.941 0.000 . 2 . . . . 65 ASN HB2 . 16189 1 572 . 1 1 65 65 ASN HB3 H 1 2.820 0.000 . 2 . . . . 65 ASN HB3 . 16189 1 573 . 1 1 65 65 ASN C C 13 177.499 0.000 . 1 . . . . 65 ASN C . 16189 1 574 . 1 1 65 65 ASN CA C 13 53.952 0.000 . 1 . . . . 65 ASN CA . 16189 1 575 . 1 1 65 65 ASN CB C 13 39.228 0.000 . 1 . . . . 65 ASN CB . 16189 1 576 . 1 1 65 65 ASN N N 15 118.391 0.000 . 1 . . . . 65 ASN N . 16189 1 577 . 1 1 66 66 ILE H H 1 8.925 0.000 . 1 . . . . 66 ILE H . 16189 1 578 . 1 1 66 66 ILE HA H 1 3.601 0.000 . 1 . . . . 66 ILE HA . 16189 1 579 . 1 1 66 66 ILE HB H 1 1.949 0.000 . 1 . . . . 66 ILE HB . 16189 1 580 . 1 1 66 66 ILE HD11 H 1 1.005 0.000 . 1 . . . . 66 ILE HD1 . 16189 1 581 . 1 1 66 66 ILE HD12 H 1 1.005 0.000 . 1 . . . . 66 ILE HD1 . 16189 1 582 . 1 1 66 66 ILE HD13 H 1 1.005 0.000 . 1 . . . . 66 ILE HD1 . 16189 1 583 . 1 1 66 66 ILE HG12 H 1 1.731 0.000 . 2 . . . . 66 ILE HG12 . 16189 1 584 . 1 1 66 66 ILE HG13 H 1 1.103 0.000 . 2 . . . . 66 ILE HG13 . 16189 1 585 . 1 1 66 66 ILE HG21 H 1 0.997 0.000 . 1 . . . . 66 ILE HG2 . 16189 1 586 . 1 1 66 66 ILE HG22 H 1 0.997 0.000 . 1 . . . . 66 ILE HG2 . 16189 1 587 . 1 1 66 66 ILE HG23 H 1 0.997 0.000 . 1 . . . . 66 ILE HG2 . 16189 1 588 . 1 1 66 66 ILE C C 13 176.269 0.000 . 1 . . . . 66 ILE C . 16189 1 589 . 1 1 66 66 ILE CA C 13 66.129 0.000 . 1 . . . . 66 ILE CA . 16189 1 590 . 1 1 66 66 ILE CB C 13 37.801 0.000 . 1 . . . . 66 ILE CB . 16189 1 591 . 1 1 66 66 ILE CD1 C 13 13.879 0.000 . 1 . . . . 66 ILE CD1 . 16189 1 592 . 1 1 66 66 ILE CG1 C 13 29.544 0.000 . 1 . . . . 66 ILE CG1 . 16189 1 593 . 1 1 66 66 ILE CG2 C 13 17.225 0.000 . 1 . . . . 66 ILE CG2 . 16189 1 594 . 1 1 66 66 ILE N N 15 126.957 0.000 . 1 . . . . 66 ILE N . 16189 1 595 . 1 1 67 67 LYS H H 1 8.203 0.000 . 1 . . . . 67 LYS H . 16189 1 596 . 1 1 67 67 LYS HA H 1 4.011 0.000 . 1 . . . . 67 LYS HA . 16189 1 597 . 1 1 67 67 LYS HB2 H 1 1.872 0.000 . 2 . . . . 67 LYS HB2 . 16189 1 598 . 1 1 67 67 LYS HB3 H 1 1.800 0.000 . 2 . . . . 67 LYS HB3 . 16189 1 599 . 1 1 67 67 LYS HD2 H 1 1.777 0.000 . 2 . . . . 67 LYS HD2 . 16189 1 600 . 1 1 67 67 LYS HD3 H 1 1.777 0.000 . 2 . . . . 67 LYS HD3 . 16189 1 601 . 1 1 67 67 LYS HE2 H 1 3.043 0.000 . 2 . . . . 67 LYS HE2 . 16189 1 602 . 1 1 67 67 LYS HE3 H 1 3.043 0.000 . 2 . . . . 67 LYS HE3 . 16189 1 603 . 1 1 67 67 LYS HG2 H 1 1.548 0.000 . 2 . . . . 67 LYS HG2 . 16189 1 604 . 1 1 67 67 LYS HG3 H 1 1.394 0.000 . 2 . . . . 67 LYS HG3 . 16189 1 605 . 1 1 67 67 LYS C C 13 178.871 0.000 . 1 . . . . 67 LYS C . 16189 1 606 . 1 1 67 67 LYS CA C 13 59.508 0.000 . 1 . . . . 67 LYS CA . 16189 1 607 . 1 1 67 67 LYS CB C 13 32.124 0.000 . 1 . . . . 67 LYS CB . 16189 1 608 . 1 1 67 67 LYS CD C 13 29.395 0.000 . 1 . . . . 67 LYS CD . 16189 1 609 . 1 1 67 67 LYS CE C 13 42.097 0.000 . 1 . . . . 67 LYS CE . 16189 1 610 . 1 1 67 67 LYS CG C 13 25.285 0.000 . 1 . . . . 67 LYS CG . 16189 1 611 . 1 1 67 67 LYS N N 15 118.984 0.000 . 1 . . . . 67 LYS N . 16189 1 612 . 1 1 68 68 ASN H H 1 7.655 0.000 . 1 . . . . 68 ASN H . 16189 1 613 . 1 1 68 68 ASN HA H 1 4.586 0.000 . 1 . . . . 68 ASN HA . 16189 1 614 . 1 1 68 68 ASN HB2 H 1 2.928 0.000 . 2 . . . . 68 ASN HB2 . 16189 1 615 . 1 1 68 68 ASN HB3 H 1 2.928 0.000 . 2 . . . . 68 ASN HB3 . 16189 1 616 . 1 1 68 68 ASN C C 13 178.083 0.000 . 1 . . . . 68 ASN C . 16189 1 617 . 1 1 68 68 ASN CA C 13 55.588 0.000 . 1 . . . . 68 ASN CA . 16189 1 618 . 1 1 68 68 ASN CB C 13 38.370 0.000 . 1 . . . . 68 ASN CB . 16189 1 619 . 1 1 68 68 ASN N N 15 117.201 0.000 . 1 . . . . 68 ASN N . 16189 1 620 . 1 1 69 69 VAL H H 1 8.370 0.000 . 1 . . . . 69 VAL H . 16189 1 621 . 1 1 69 69 VAL HA H 1 3.737 0.000 . 1 . . . . 69 VAL HA . 16189 1 622 . 1 1 69 69 VAL HB H 1 1.928 0.000 . 1 . . . . 69 VAL HB . 16189 1 623 . 1 1 69 69 VAL HG11 H 1 0.953 0.000 . 2 . . . . 69 VAL HG1 . 16189 1 624 . 1 1 69 69 VAL HG12 H 1 0.953 0.000 . 2 . . . . 69 VAL HG1 . 16189 1 625 . 1 1 69 69 VAL HG13 H 1 0.953 0.000 . 2 . . . . 69 VAL HG1 . 16189 1 626 . 1 1 69 69 VAL HG21 H 1 0.718 0.000 . 2 . . . . 69 VAL HG2 . 16189 1 627 . 1 1 69 69 VAL HG22 H 1 0.718 0.000 . 2 . . . . 69 VAL HG2 . 16189 1 628 . 1 1 69 69 VAL HG23 H 1 0.718 0.000 . 2 . . . . 69 VAL HG2 . 16189 1 629 . 1 1 69 69 VAL C C 13 178.131 0.000 . 1 . . . . 69 VAL C . 16189 1 630 . 1 1 69 69 VAL CA C 13 65.583 0.000 . 1 . . . . 69 VAL CA . 16189 1 631 . 1 1 69 69 VAL CB C 13 32.012 0.000 . 1 . . . . 69 VAL CB . 16189 1 632 . 1 1 69 69 VAL CG1 C 13 22.593 0.000 . 1 . . . . 69 VAL CG1 . 16189 1 633 . 1 1 69 69 VAL CG2 C 13 21.903 0.000 . 1 . . . . 69 VAL CG2 . 16189 1 634 . 1 1 69 69 VAL N N 15 121.529 0.000 . 1 . . . . 69 VAL N . 16189 1 635 . 1 1 70 70 ALA H H 1 8.532 0.000 . 1 . . . . 70 ALA H . 16189 1 636 . 1 1 70 70 ALA HA H 1 3.843 0.000 . 1 . . . . 70 ALA HA . 16189 1 637 . 1 1 70 70 ALA HB1 H 1 1.417 0.000 . 1 . . . . 70 ALA HB . 16189 1 638 . 1 1 70 70 ALA HB2 H 1 1.417 0.000 . 1 . . . . 70 ALA HB . 16189 1 639 . 1 1 70 70 ALA HB3 H 1 1.417 0.000 . 1 . . . . 70 ALA HB . 16189 1 640 . 1 1 70 70 ALA C C 13 177.821 0.000 . 1 . . . . 70 ALA C . 16189 1 641 . 1 1 70 70 ALA CA C 13 54.942 0.000 . 1 . . . . 70 ALA CA . 16189 1 642 . 1 1 70 70 ALA CB C 13 18.279 0.000 . 1 . . . . 70 ALA CB . 16189 1 643 . 1 1 70 70 ALA N N 15 119.473 0.000 . 1 . . . . 70 ALA N . 16189 1 644 . 1 1 71 71 LYS H H 1 7.231 0.000 . 1 . . . . 71 LYS H . 16189 1 645 . 1 1 71 71 LYS HA H 1 4.199 0.000 . 1 . . . . 71 LYS HA . 16189 1 646 . 1 1 71 71 LYS HB2 H 1 2.025 0.000 . 2 . . . . 71 LYS HB2 . 16189 1 647 . 1 1 71 71 LYS HB3 H 1 2.025 0.000 . 2 . . . . 71 LYS HB3 . 16189 1 648 . 1 1 71 71 LYS HD2 H 1 1.764 0.000 . 2 . . . . 71 LYS HD2 . 16189 1 649 . 1 1 71 71 LYS HD3 H 1 1.764 0.000 . 2 . . . . 71 LYS HD3 . 16189 1 650 . 1 1 71 71 LYS HE2 H 1 3.047 0.000 . 2 . . . . 71 LYS HE2 . 16189 1 651 . 1 1 71 71 LYS HE3 H 1 3.047 0.000 . 2 . . . . 71 LYS HE3 . 16189 1 652 . 1 1 71 71 LYS HG2 H 1 1.536 0.000 . 2 . . . . 71 LYS HG2 . 16189 1 653 . 1 1 71 71 LYS HG3 H 1 1.709 0.000 . 2 . . . . 71 LYS HG3 . 16189 1 654 . 1 1 71 71 LYS C C 13 178.462 0.000 . 1 . . . . 71 LYS C . 16189 1 655 . 1 1 71 71 LYS CA C 13 58.549 0.000 . 1 . . . . 71 LYS CA . 16189 1 656 . 1 1 71 71 LYS CB C 13 32.925 0.000 . 1 . . . . 71 LYS CB . 16189 1 657 . 1 1 71 71 LYS CD C 13 29.536 0.000 . 1 . . . . 71 LYS CD . 16189 1 658 . 1 1 71 71 LYS CE C 13 42.249 0.000 . 1 . . . . 71 LYS CE . 16189 1 659 . 1 1 71 71 LYS CG C 13 25.056 0.000 . 1 . . . . 71 LYS CG . 16189 1 660 . 1 1 71 71 LYS N N 15 113.983 0.000 . 1 . . . . 71 LYS N . 16189 1 661 . 1 1 72 72 THR H H 1 7.441 0.000 . 1 . . . . 72 THR H . 16189 1 662 . 1 1 72 72 THR HA H 1 4.369 0.000 . 1 . . . . 72 THR HA . 16189 1 663 . 1 1 72 72 THR HB H 1 4.399 0.000 . 1 . . . . 72 THR HB . 16189 1 664 . 1 1 72 72 THR HG21 H 1 1.219 0.000 . 1 . . . . 72 THR HG2 . 16189 1 665 . 1 1 72 72 THR HG22 H 1 1.219 0.000 . 1 . . . . 72 THR HG2 . 16189 1 666 . 1 1 72 72 THR HG23 H 1 1.219 0.000 . 1 . . . . 72 THR HG2 . 16189 1 667 . 1 1 72 72 THR C C 13 174.270 0.000 . 1 . . . . 72 THR C . 16189 1 668 . 1 1 72 72 THR CA C 13 61.985 0.000 . 1 . . . . 72 THR CA . 16189 1 669 . 1 1 72 72 THR CB C 13 69.611 0.000 . 1 . . . . 72 THR CB . 16189 1 670 . 1 1 72 72 THR CG2 C 13 21.758 0.000 . 1 . . . . 72 THR CG2 . 16189 1 671 . 1 1 72 72 THR N N 15 107.225 0.000 . 1 . . . . 72 THR N . 16189 1 672 . 1 1 73 73 ALA H H 1 7.852 0.000 . 1 . . . . 73 ALA H . 16189 1 673 . 1 1 73 73 ALA HA H 1 4.703 0.000 . 1 . . . . 73 ALA HA . 16189 1 674 . 1 1 73 73 ALA HB1 H 1 1.335 0.000 . 1 . . . . 73 ALA HB . 16189 1 675 . 1 1 73 73 ALA HB2 H 1 1.335 0.000 . 1 . . . . 73 ALA HB . 16189 1 676 . 1 1 73 73 ALA HB3 H 1 1.335 0.000 . 1 . . . . 73 ALA HB . 16189 1 677 . 1 1 73 73 ALA C C 13 175.839 0.000 . 1 . . . . 73 ALA C . 16189 1 678 . 1 1 73 73 ALA CA C 13 51.384 0.000 . 1 . . . . 73 ALA CA . 16189 1 679 . 1 1 73 73 ALA CB C 13 19.864 0.000 . 1 . . . . 73 ALA CB . 16189 1 680 . 1 1 73 73 ALA N N 15 125.801 0.000 . 1 . . . . 73 ALA N . 16189 1 681 . 1 1 74 74 ASN H H 1 8.493 0.000 . 1 . . . . 74 ASN H . 16189 1 682 . 1 1 74 74 ASN HA H 1 4.895 0.000 . 1 . . . . 74 ASN HA . 16189 1 683 . 1 1 74 74 ASN HB2 H 1 3.201 0.000 . 2 . . . . 74 ASN HB2 . 16189 1 684 . 1 1 74 74 ASN HB3 H 1 2.900 0.000 . 2 . . . . 74 ASN HB3 . 16189 1 685 . 1 1 74 74 ASN HD21 H 1 6.933 0.000 . 2 . . . . 74 ASN HD21 . 16189 1 686 . 1 1 74 74 ASN HD22 H 1 7.657 0.000 . 2 . . . . 74 ASN HD22 . 16189 1 687 . 1 1 74 74 ASN CA C 13 51.097 0.000 . 1 . . . . 74 ASN CA . 16189 1 688 . 1 1 74 74 ASN CB C 13 39.784 0.000 . 1 . . . . 74 ASN CB . 16189 1 689 . 1 1 74 74 ASN N N 15 119.294 0.000 . 1 . . . . 74 ASN N . 16189 1 690 . 1 1 74 74 ASN ND2 N 15 112.918 0.000 . 1 . . . . 74 ASN ND2 . 16189 1 691 . 1 1 75 75 LYS HA H 1 3.909 0.000 . 1 . . . . 75 LYS HA . 16189 1 692 . 1 1 75 75 LYS HB2 H 1 2.065 0.000 . 2 . . . . 75 LYS HB2 . 16189 1 693 . 1 1 75 75 LYS HB3 H 1 1.701 0.000 . 2 . . . . 75 LYS HB3 . 16189 1 694 . 1 1 75 75 LYS HD2 H 1 1.585 0.000 . 2 . . . . 75 LYS HD2 . 16189 1 695 . 1 1 75 75 LYS HD3 H 1 1.585 0.000 . 2 . . . . 75 LYS HD3 . 16189 1 696 . 1 1 75 75 LYS HE2 H 1 2.931 0.000 . 2 . . . . 75 LYS HE2 . 16189 1 697 . 1 1 75 75 LYS HE3 H 1 2.764 0.000 . 2 . . . . 75 LYS HE3 . 16189 1 698 . 1 1 75 75 LYS HG2 H 1 1.420 0.000 . 2 . . . . 75 LYS HG2 . 16189 1 699 . 1 1 75 75 LYS HG3 H 1 1.630 0.000 . 2 . . . . 75 LYS HG3 . 16189 1 700 . 1 1 75 75 LYS C C 13 177.876 0.000 . 1 . . . . 75 LYS C . 16189 1 701 . 1 1 75 75 LYS CA C 13 60.131 0.000 . 1 . . . . 75 LYS CA . 16189 1 702 . 1 1 75 75 LYS CB C 13 32.183 0.000 . 1 . . . . 75 LYS CB . 16189 1 703 . 1 1 75 75 LYS CD C 13 28.595 0.000 . 1 . . . . 75 LYS CD . 16189 1 704 . 1 1 75 75 LYS CE C 13 41.947 0.000 . 1 . . . . 75 LYS CE . 16189 1 705 . 1 1 75 75 LYS CG C 13 25.904 0.000 . 1 . . . . 75 LYS CG . 16189 1 706 . 1 1 76 76 ASP H H 1 8.378 0.000 . 1 . . . . 76 ASP H . 16189 1 707 . 1 1 76 76 ASP HA H 1 4.342 0.000 . 1 . . . . 76 ASP HA . 16189 1 708 . 1 1 76 76 ASP HB2 H 1 2.701 0.000 . 2 . . . . 76 ASP HB2 . 16189 1 709 . 1 1 76 76 ASP HB3 H 1 2.701 0.000 . 2 . . . . 76 ASP HB3 . 16189 1 710 . 1 1 76 76 ASP C C 13 178.884 0.000 . 1 . . . . 76 ASP C . 16189 1 711 . 1 1 76 76 ASP CA C 13 58.175 0.000 . 1 . . . . 76 ASP CA . 16189 1 712 . 1 1 76 76 ASP CB C 13 40.082 0.000 . 1 . . . . 76 ASP CB . 16189 1 713 . 1 1 76 76 ASP N N 15 118.660 0.000 . 1 . . . . 76 ASP N . 16189 1 714 . 1 1 77 77 HIS H H 1 8.069 0.000 . 1 . . . . 77 HIS H . 16189 1 715 . 1 1 77 77 HIS HA H 1 4.488 0.000 . 1 . . . . 77 HIS HA . 16189 1 716 . 1 1 77 77 HIS HB2 H 1 3.379 0.000 . 2 . . . . 77 HIS HB2 . 16189 1 717 . 1 1 77 77 HIS HB3 H 1 3.338 0.000 . 2 . . . . 77 HIS HB3 . 16189 1 718 . 1 1 77 77 HIS HD2 H 1 6.880 0.000 . 1 . . . . 77 HIS HD2 . 16189 1 719 . 1 1 77 77 HIS C C 13 178.487 0.000 . 1 . . . . 77 HIS C . 16189 1 720 . 1 1 77 77 HIS CA C 13 59.144 0.000 . 1 . . . . 77 HIS CA . 16189 1 721 . 1 1 77 77 HIS CB C 13 31.718 0.000 . 1 . . . . 77 HIS CB . 16189 1 722 . 1 1 77 77 HIS CD2 C 13 116.766 0.000 . 1 . . . . 77 HIS CD2 . 16189 1 723 . 1 1 77 77 HIS N N 15 120.004 0.000 . 1 . . . . 77 HIS N . 16189 1 724 . 1 1 78 78 LEU H H 1 7.921 0.000 . 1 . . . . 78 LEU H . 16189 1 725 . 1 1 78 78 LEU HA H 1 4.015 0.000 . 1 . . . . 78 LEU HA . 16189 1 726 . 1 1 78 78 LEU HB2 H 1 2.066 0.000 . 2 . . . . 78 LEU HB2 . 16189 1 727 . 1 1 78 78 LEU HB3 H 1 2.066 0.000 . 2 . . . . 78 LEU HB3 . 16189 1 728 . 1 1 78 78 LEU HD11 H 1 0.839 0.000 . 2 . . . . 78 LEU HD1 . 16189 1 729 . 1 1 78 78 LEU HD12 H 1 0.839 0.000 . 2 . . . . 78 LEU HD1 . 16189 1 730 . 1 1 78 78 LEU HD13 H 1 0.839 0.000 . 2 . . . . 78 LEU HD1 . 16189 1 731 . 1 1 78 78 LEU HD21 H 1 0.749 0.000 . 2 . . . . 78 LEU HD2 . 16189 1 732 . 1 1 78 78 LEU HD22 H 1 0.749 0.000 . 2 . . . . 78 LEU HD2 . 16189 1 733 . 1 1 78 78 LEU HD23 H 1 0.749 0.000 . 2 . . . . 78 LEU HD2 . 16189 1 734 . 1 1 78 78 LEU HG H 1 2.022 0.000 . 1 . . . . 78 LEU HG . 16189 1 735 . 1 1 78 78 LEU C C 13 178.251 0.000 . 1 . . . . 78 LEU C . 16189 1 736 . 1 1 78 78 LEU CA C 13 57.484 0.000 . 1 . . . . 78 LEU CA . 16189 1 737 . 1 1 78 78 LEU CB C 13 41.279 0.000 . 1 . . . . 78 LEU CB . 16189 1 738 . 1 1 78 78 LEU CD1 C 13 26.509 0.000 . 1 . . . . 78 LEU CD1 . 16189 1 739 . 1 1 78 78 LEU CD2 C 13 23.238 0.000 . 1 . . . . 78 LEU CD2 . 16189 1 740 . 1 1 78 78 LEU CG C 13 26.162 0.000 . 1 . . . . 78 LEU CG . 16189 1 741 . 1 1 78 78 LEU N N 15 118.355 0.000 . 1 . . . . 78 LEU N . 16189 1 742 . 1 1 79 79 VAL H H 1 8.762 0.000 . 1 . . . . 79 VAL H . 16189 1 743 . 1 1 79 79 VAL HA H 1 3.568 0.000 . 1 . . . . 79 VAL HA . 16189 1 744 . 1 1 79 79 VAL HB H 1 2.313 0.000 . 1 . . . . 79 VAL HB . 16189 1 745 . 1 1 79 79 VAL HG11 H 1 0.982 0.000 . 2 . . . . 79 VAL HG1 . 16189 1 746 . 1 1 79 79 VAL HG12 H 1 0.982 0.000 . 2 . . . . 79 VAL HG1 . 16189 1 747 . 1 1 79 79 VAL HG13 H 1 0.982 0.000 . 2 . . . . 79 VAL HG1 . 16189 1 748 . 1 1 79 79 VAL HG21 H 1 0.998 0.000 . 2 . . . . 79 VAL HG2 . 16189 1 749 . 1 1 79 79 VAL HG22 H 1 0.998 0.000 . 2 . . . . 79 VAL HG2 . 16189 1 750 . 1 1 79 79 VAL HG23 H 1 0.998 0.000 . 2 . . . . 79 VAL HG2 . 16189 1 751 . 1 1 79 79 VAL C C 13 177.672 0.000 . 1 . . . . 79 VAL C . 16189 1 752 . 1 1 79 79 VAL CA C 13 67.211 0.000 . 1 . . . . 79 VAL CA . 16189 1 753 . 1 1 79 79 VAL CB C 13 31.807 0.000 . 1 . . . . 79 VAL CB . 16189 1 754 . 1 1 79 79 VAL CG1 C 13 22.008 0.000 . 1 . . . . 79 VAL CG1 . 16189 1 755 . 1 1 79 79 VAL CG2 C 13 23.348 0.000 . 1 . . . . 79 VAL CG2 . 16189 1 756 . 1 1 79 79 VAL N N 15 121.024 0.000 . 1 . . . . 79 VAL N . 16189 1 757 . 1 1 80 80 THR H H 1 7.871 0.000 . 1 . . . . 80 THR H . 16189 1 758 . 1 1 80 80 THR HA H 1 3.967 0.000 . 1 . . . . 80 THR HA . 16189 1 759 . 1 1 80 80 THR HB H 1 4.297 0.000 . 1 . . . . 80 THR HB . 16189 1 760 . 1 1 80 80 THR HG21 H 1 1.166 0.000 . 1 . . . . 80 THR HG2 . 16189 1 761 . 1 1 80 80 THR HG22 H 1 1.166 0.000 . 1 . . . . 80 THR HG2 . 16189 1 762 . 1 1 80 80 THR HG23 H 1 1.166 0.000 . 1 . . . . 80 THR HG2 . 16189 1 763 . 1 1 80 80 THR C C 13 176.648 0.000 . 1 . . . . 80 THR C . 16189 1 764 . 1 1 80 80 THR CA C 13 66.685 0.000 . 1 . . . . 80 THR CA . 16189 1 765 . 1 1 80 80 THR CB C 13 68.378 0.000 . 1 . . . . 80 THR CB . 16189 1 766 . 1 1 80 80 THR CG2 C 13 21.997 0.000 . 1 . . . . 80 THR CG2 . 16189 1 767 . 1 1 80 80 THR N N 15 115.751 0.000 . 1 . . . . 80 THR N . 16189 1 768 . 1 1 81 81 ALA H H 1 8.259 0.000 . 1 . . . . 81 ALA H . 16189 1 769 . 1 1 81 81 ALA HA H 1 3.558 0.000 . 1 . . . . 81 ALA HA . 16189 1 770 . 1 1 81 81 ALA HB1 H 1 1.174 0.000 . 1 . . . . 81 ALA HB . 16189 1 771 . 1 1 81 81 ALA HB2 H 1 1.174 0.000 . 1 . . . . 81 ALA HB . 16189 1 772 . 1 1 81 81 ALA HB3 H 1 1.174 0.000 . 1 . . . . 81 ALA HB . 16189 1 773 . 1 1 81 81 ALA C C 13 178.122 0.000 . 1 . . . . 81 ALA C . 16189 1 774 . 1 1 81 81 ALA CA C 13 55.562 0.000 . 1 . . . . 81 ALA CA . 16189 1 775 . 1 1 81 81 ALA CB C 13 18.462 0.000 . 1 . . . . 81 ALA CB . 16189 1 776 . 1 1 81 81 ALA N N 15 123.175 0.000 . 1 . . . . 81 ALA N . 16189 1 777 . 1 1 82 82 TYR H H 1 8.848 0.000 . 1 . . . . 82 TYR H . 16189 1 778 . 1 1 82 82 TYR HA H 1 4.212 0.000 . 1 . . . . 82 TYR HA . 16189 1 779 . 1 1 82 82 TYR HB2 H 1 3.381 0.000 . 2 . . . . 82 TYR HB2 . 16189 1 780 . 1 1 82 82 TYR HB3 H 1 3.084 0.000 . 2 . . . . 82 TYR HB3 . 16189 1 781 . 1 1 82 82 TYR HD1 H 1 7.172 0.000 . 1 . . . . 82 TYR HD1 . 16189 1 782 . 1 1 82 82 TYR HD2 H 1 7.172 0.000 . 1 . . . . 82 TYR HD2 . 16189 1 783 . 1 1 82 82 TYR HE1 H 1 6.676 0.000 . 1 . . . . 82 TYR HE1 . 16189 1 784 . 1 1 82 82 TYR HE2 H 1 6.676 0.000 . 1 . . . . 82 TYR HE2 . 16189 1 785 . 1 1 82 82 TYR C C 13 176.833 0.000 . 1 . . . . 82 TYR C . 16189 1 786 . 1 1 82 82 TYR CA C 13 62.678 0.000 . 1 . . . . 82 TYR CA . 16189 1 787 . 1 1 82 82 TYR CB C 13 39.338 0.000 . 1 . . . . 82 TYR CB . 16189 1 788 . 1 1 82 82 TYR CD1 C 13 133.180 0.000 . 1 . . . . 82 TYR CD1 . 16189 1 789 . 1 1 82 82 TYR CD2 C 13 133.180 0.000 . 1 . . . . 82 TYR CD2 . 16189 1 790 . 1 1 82 82 TYR CE1 C 13 119.488 0.000 . 1 . . . . 82 TYR CE1 . 16189 1 791 . 1 1 82 82 TYR CE2 C 13 119.488 0.000 . 1 . . . . 82 TYR CE2 . 16189 1 792 . 1 1 82 82 TYR N N 15 120.000 0.000 . 1 . . . . 82 TYR N . 16189 1 793 . 1 1 83 83 ASN H H 1 8.661 0.000 . 1 . . . . 83 ASN H . 16189 1 794 . 1 1 83 83 ASN HA H 1 4.651 0.000 . 1 . . . . 83 ASN HA . 16189 1 795 . 1 1 83 83 ASN HB2 H 1 3.094 0.000 . 2 . . . . 83 ASN HB2 . 16189 1 796 . 1 1 83 83 ASN HB3 H 1 3.023 0.000 . 2 . . . . 83 ASN HB3 . 16189 1 797 . 1 1 83 83 ASN HD21 H 1 6.014 0.000 . 2 . . . . 83 ASN HD21 . 16189 1 798 . 1 1 83 83 ASN HD22 H 1 7.795 0.000 . 2 . . . . 83 ASN HD22 . 16189 1 799 . 1 1 83 83 ASN C C 13 178.839 0.000 . 1 . . . . 83 ASN C . 16189 1 800 . 1 1 83 83 ASN CA C 13 56.247 0.000 . 1 . . . . 83 ASN CA . 16189 1 801 . 1 1 83 83 ASN CB C 13 37.416 0.000 . 1 . . . . 83 ASN CB . 16189 1 802 . 1 1 83 83 ASN N N 15 116.093 0.000 . 1 . . . . 83 ASN N . 16189 1 803 . 1 1 83 83 ASN ND2 N 15 110.259 0.000 . 1 . . . . 83 ASN ND2 . 16189 1 804 . 1 1 84 84 HIS H H 1 8.922 0.000 . 1 . . . . 84 HIS H . 16189 1 805 . 1 1 84 84 HIS HA H 1 4.632 0.000 . 1 . . . . 84 HIS HA . 16189 1 806 . 1 1 84 84 HIS HB2 H 1 3.579 0.000 . 2 . . . . 84 HIS HB2 . 16189 1 807 . 1 1 84 84 HIS HB3 H 1 3.472 0.000 . 2 . . . . 84 HIS HB3 . 16189 1 808 . 1 1 84 84 HIS C C 13 178.642 0.000 . 1 . . . . 84 HIS C . 16189 1 809 . 1 1 84 84 HIS CA C 13 58.623 0.000 . 1 . . . . 84 HIS CA . 16189 1 810 . 1 1 84 84 HIS CB C 13 30.787 0.000 . 1 . . . . 84 HIS CB . 16189 1 811 . 1 1 84 84 HIS N N 15 120.065 0.000 . 1 . . . . 84 HIS N . 16189 1 812 . 1 1 85 85 LEU H H 1 8.617 0.000 . 1 . . . . 85 LEU H . 16189 1 813 . 1 1 85 85 LEU HA H 1 2.990 0.000 . 1 . . . . 85 LEU HA . 16189 1 814 . 1 1 85 85 LEU HB2 H 1 1.653 0.000 . 2 . . . . 85 LEU HB2 . 16189 1 815 . 1 1 85 85 LEU HB3 H 1 0.925 0.000 . 2 . . . . 85 LEU HB3 . 16189 1 816 . 1 1 85 85 LEU HD11 H 1 0.321 0.000 . 2 . . . . 85 LEU HD1 . 16189 1 817 . 1 1 85 85 LEU HD12 H 1 0.321 0.000 . 2 . . . . 85 LEU HD1 . 16189 1 818 . 1 1 85 85 LEU HD13 H 1 0.321 0.000 . 2 . . . . 85 LEU HD1 . 16189 1 819 . 1 1 85 85 LEU HD21 H 1 -0.591 0.000 . 2 . . . . 85 LEU HD2 . 16189 1 820 . 1 1 85 85 LEU HD22 H 1 -0.591 0.000 . 2 . . . . 85 LEU HD2 . 16189 1 821 . 1 1 85 85 LEU HD23 H 1 -0.591 0.000 . 2 . . . . 85 LEU HD2 . 16189 1 822 . 1 1 85 85 LEU HG H 1 0.246 0.000 . 1 . . . . 85 LEU HG . 16189 1 823 . 1 1 85 85 LEU C C 13 177.190 0.000 . 1 . . . . 85 LEU C . 16189 1 824 . 1 1 85 85 LEU CA C 13 58.501 0.000 . 1 . . . . 85 LEU CA . 16189 1 825 . 1 1 85 85 LEU CB C 13 39.341 0.000 . 1 . . . . 85 LEU CB . 16189 1 826 . 1 1 85 85 LEU CD1 C 13 25.786 0.000 . 1 . . . . 85 LEU CD1 . 16189 1 827 . 1 1 85 85 LEU CD2 C 13 22.247 0.000 . 1 . . . . 85 LEU CD2 . 16189 1 828 . 1 1 85 85 LEU CG C 13 25.626 0.000 . 1 . . . . 85 LEU CG . 16189 1 829 . 1 1 85 85 LEU N N 15 123.894 0.000 . 1 . . . . 85 LEU N . 16189 1 830 . 1 1 86 86 PHE H H 1 6.994 0.000 . 1 . . . . 86 PHE H . 16189 1 831 . 1 1 86 86 PHE HA H 1 3.952 0.000 . 1 . . . . 86 PHE HA . 16189 1 832 . 1 1 86 86 PHE HB2 H 1 3.280 0.000 . 2 . . . . 86 PHE HB2 . 16189 1 833 . 1 1 86 86 PHE HB3 H 1 2.767 0.000 . 2 . . . . 86 PHE HB3 . 16189 1 834 . 1 1 86 86 PHE HD1 H 1 7.323 0.000 . 1 . . . . 86 PHE HD1 . 16189 1 835 . 1 1 86 86 PHE HD2 H 1 7.323 0.000 . 1 . . . . 86 PHE HD2 . 16189 1 836 . 1 1 86 86 PHE HE1 H 1 6.766 0.000 . 1 . . . . 86 PHE HE1 . 16189 1 837 . 1 1 86 86 PHE HE2 H 1 6.766 0.000 . 1 . . . . 86 PHE HE2 . 16189 1 838 . 1 1 86 86 PHE HZ H 1 6.975 0.000 . 1 . . . . 86 PHE HZ . 16189 1 839 . 1 1 86 86 PHE C C 13 177.882 0.000 . 1 . . . . 86 PHE C . 16189 1 840 . 1 1 86 86 PHE CA C 13 62.514 0.000 . 1 . . . . 86 PHE CA . 16189 1 841 . 1 1 86 86 PHE CB C 13 39.511 0.000 . 1 . . . . 86 PHE CB . 16189 1 842 . 1 1 86 86 PHE CD1 C 13 131.570 0.000 . 1 . . . . 86 PHE CD1 . 16189 1 843 . 1 1 86 86 PHE CD2 C 13 131.570 0.000 . 1 . . . . 86 PHE CD2 . 16189 1 844 . 1 1 86 86 PHE CE1 C 13 131.725 0.000 . 1 . . . . 86 PHE CE1 . 16189 1 845 . 1 1 86 86 PHE CE2 C 13 131.725 0.000 . 1 . . . . 86 PHE CE2 . 16189 1 846 . 1 1 86 86 PHE CZ C 13 128.350 0.000 . 1 . . . . 86 PHE CZ . 16189 1 847 . 1 1 86 86 PHE N N 15 113.121 0.000 . 1 . . . . 86 PHE N . 16189 1 848 . 1 1 87 87 GLU H H 1 8.419 0.000 . 1 . . . . 87 GLU H . 16189 1 849 . 1 1 87 87 GLU HA H 1 4.200 0.000 . 1 . . . . 87 GLU HA . 16189 1 850 . 1 1 87 87 GLU HB2 H 1 2.148 0.000 . 2 . . . . 87 GLU HB2 . 16189 1 851 . 1 1 87 87 GLU HB3 H 1 2.256 0.000 . 2 . . . . 87 GLU HB3 . 16189 1 852 . 1 1 87 87 GLU HG2 H 1 2.454 0.000 . 2 . . . . 87 GLU HG2 . 16189 1 853 . 1 1 87 87 GLU HG3 H 1 2.310 0.000 . 2 . . . . 87 GLU HG3 . 16189 1 854 . 1 1 87 87 GLU C C 13 178.563 0.000 . 1 . . . . 87 GLU C . 16189 1 855 . 1 1 87 87 GLU CA C 13 59.120 0.000 . 1 . . . . 87 GLU CA . 16189 1 856 . 1 1 87 87 GLU CB C 13 30.489 0.000 . 1 . . . . 87 GLU CB . 16189 1 857 . 1 1 87 87 GLU CG C 13 36.091 0.000 . 1 . . . . 87 GLU CG . 16189 1 858 . 1 1 87 87 GLU N N 15 119.755 0.000 . 1 . . . . 87 GLU N . 16189 1 859 . 1 1 88 88 THR H H 1 7.925 0.000 . 1 . . . . 88 THR H . 16189 1 860 . 1 1 88 88 THR HA H 1 4.206 0.000 . 1 . . . . 88 THR HA . 16189 1 861 . 1 1 88 88 THR HB H 1 4.064 0.000 . 1 . . . . 88 THR HB . 16189 1 862 . 1 1 88 88 THR HG21 H 1 1.140 0.000 . 1 . . . . 88 THR HG2 . 16189 1 863 . 1 1 88 88 THR HG22 H 1 1.140 0.000 . 1 . . . . 88 THR HG2 . 16189 1 864 . 1 1 88 88 THR HG23 H 1 1.140 0.000 . 1 . . . . 88 THR HG2 . 16189 1 865 . 1 1 88 88 THR C C 13 175.030 0.000 . 1 . . . . 88 THR C . 16189 1 866 . 1 1 88 88 THR CA C 13 62.422 0.000 . 1 . . . . 88 THR CA . 16189 1 867 . 1 1 88 88 THR CB C 13 70.812 0.000 . 1 . . . . 88 THR CB . 16189 1 868 . 1 1 88 88 THR CG2 C 13 21.554 0.000 . 1 . . . . 88 THR CG2 . 16189 1 869 . 1 1 88 88 THR N N 15 106.136 0.000 . 1 . . . . 88 THR N . 16189 1 870 . 1 1 89 89 LYS H H 1 7.723 0.000 . 1 . . . . 89 LYS H . 16189 1 871 . 1 1 89 89 LYS HA H 1 3.035 0.000 . 1 . . . . 89 LYS HA . 16189 1 872 . 1 1 89 89 LYS HB2 H 1 2.002 0.000 . 2 . . . . 89 LYS HB2 . 16189 1 873 . 1 1 89 89 LYS HB3 H 1 1.732 0.000 . 2 . . . . 89 LYS HB3 . 16189 1 874 . 1 1 89 89 LYS HD2 H 1 1.857 0.000 . 2 . . . . 89 LYS HD2 . 16189 1 875 . 1 1 89 89 LYS HD3 H 1 1.776 0.000 . 2 . . . . 89 LYS HD3 . 16189 1 876 . 1 1 89 89 LYS HE2 H 1 3.128 0.000 . 2 . . . . 89 LYS HE2 . 16189 1 877 . 1 1 89 89 LYS HE3 H 1 3.128 0.000 . 2 . . . . 89 LYS HE3 . 16189 1 878 . 1 1 89 89 LYS HG2 H 1 1.360 0.000 . 2 . . . . 89 LYS HG2 . 16189 1 879 . 1 1 89 89 LYS HG3 H 1 1.360 0.000 . 2 . . . . 89 LYS HG3 . 16189 1 880 . 1 1 89 89 LYS C C 13 176.913 0.000 . 1 . . . . 89 LYS C . 16189 1 881 . 1 1 89 89 LYS CA C 13 56.788 0.000 . 1 . . . . 89 LYS CA . 16189 1 882 . 1 1 89 89 LYS CB C 13 28.624 0.000 . 1 . . . . 89 LYS CB . 16189 1 883 . 1 1 89 89 LYS CD C 13 29.502 0.000 . 1 . . . . 89 LYS CD . 16189 1 884 . 1 1 89 89 LYS CE C 13 42.543 0.000 . 1 . . . . 89 LYS CE . 16189 1 885 . 1 1 89 89 LYS CG C 13 25.130 0.000 . 1 . . . . 89 LYS CG . 16189 1 886 . 1 1 89 89 LYS N N 15 117.845 0.000 . 1 . . . . 89 LYS N . 16189 1 887 . 1 1 90 90 ARG H H 1 6.332 0.000 . 1 . . . . 90 ARG H . 16189 1 888 . 1 1 90 90 ARG HA H 1 4.336 0.000 . 1 . . . . 90 ARG HA . 16189 1 889 . 1 1 90 90 ARG HB2 H 1 2.129 0.000 . 2 . . . . 90 ARG HB2 . 16189 1 890 . 1 1 90 90 ARG HB3 H 1 2.129 0.000 . 2 . . . . 90 ARG HB3 . 16189 1 891 . 1 1 90 90 ARG HD2 H 1 3.319 0.000 . 2 . . . . 90 ARG HD2 . 16189 1 892 . 1 1 90 90 ARG HD3 H 1 3.125 0.000 . 2 . . . . 90 ARG HD3 . 16189 1 893 . 1 1 90 90 ARG HG2 H 1 1.548 0.000 . 2 . . . . 90 ARG HG2 . 16189 1 894 . 1 1 90 90 ARG HG3 H 1 1.483 0.000 . 2 . . . . 90 ARG HG3 . 16189 1 895 . 1 1 90 90 ARG C C 13 174.488 0.000 . 1 . . . . 90 ARG C . 16189 1 896 . 1 1 90 90 ARG CA C 13 55.547 0.000 . 1 . . . . 90 ARG CA . 16189 1 897 . 1 1 90 90 ARG CB C 13 28.525 0.000 . 1 . . . . 90 ARG CB . 16189 1 898 . 1 1 90 90 ARG CD C 13 44.376 0.000 . 1 . . . . 90 ARG CD . 16189 1 899 . 1 1 90 90 ARG CG C 13 26.382 0.000 . 1 . . . . 90 ARG CG . 16189 1 900 . 1 1 90 90 ARG N N 15 122.103 0.000 . 1 . . . . 90 ARG N . 16189 1 901 . 1 1 91 91 PHE H H 1 7.137 0.000 . 1 . . . . 91 PHE H . 16189 1 902 . 1 1 91 91 PHE HA H 1 4.953 0.000 . 1 . . . . 91 PHE HA . 16189 1 903 . 1 1 91 91 PHE HB2 H 1 3.497 0.000 . 2 . . . . 91 PHE HB2 . 16189 1 904 . 1 1 91 91 PHE HB3 H 1 2.627 0.000 . 2 . . . . 91 PHE HB3 . 16189 1 905 . 1 1 91 91 PHE HD1 H 1 7.052 0.000 . 1 . . . . 91 PHE HD1 . 16189 1 906 . 1 1 91 91 PHE HD2 H 1 7.052 0.000 . 1 . . . . 91 PHE HD2 . 16189 1 907 . 1 1 91 91 PHE HE1 H 1 6.658 0.000 . 1 . . . . 91 PHE HE1 . 16189 1 908 . 1 1 91 91 PHE HE2 H 1 6.658 0.000 . 1 . . . . 91 PHE HE2 . 16189 1 909 . 1 1 91 91 PHE C C 13 176.575 0.000 . 1 . . . . 91 PHE C . 16189 1 910 . 1 1 91 91 PHE CA C 13 56.312 0.000 . 1 . . . . 91 PHE CA . 16189 1 911 . 1 1 91 91 PHE CB C 13 40.511 0.000 . 1 . . . . 91 PHE CB . 16189 1 912 . 1 1 91 91 PHE CD1 C 13 131.071 0.000 . 1 . . . . 91 PHE CD1 . 16189 1 913 . 1 1 91 91 PHE CD2 C 13 131.071 0.000 . 1 . . . . 91 PHE CD2 . 16189 1 914 . 1 1 91 91 PHE CE1 C 13 130.952 0.000 . 1 . . . . 91 PHE CE1 . 16189 1 915 . 1 1 91 91 PHE CE2 C 13 130.952 0.000 . 1 . . . . 91 PHE CE2 . 16189 1 916 . 1 1 91 91 PHE N N 15 118.562 0.000 . 1 . . . . 91 PHE N . 16189 1 917 . 1 1 92 92 LYS H H 1 7.846 0.000 . 1 . . . . 92 LYS H . 16189 1 918 . 1 1 92 92 LYS N N 15 126.474 0.000 . 1 . . . . 92 LYS N . 16189 1 stop_ save_