data_11267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11267 _Entry.Title ; Solution Structure of Human SUMO-2 (SMT3B), a Ubiquitin-like Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11267 2 K. Saito . . . 11267 3 S. Koshiba . . . 11267 4 M. Inoue . . . 11267 5 T. Kigawa . . . 11267 6 S. Yokoyama . . . 11267 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 11267 '15N chemical shifts' 94 11267 '1H chemical shifts' 635 11267 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 . . 2011-08-18 2010-08-09 original author . 11267 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WZ0 'BMRB Entry Tracking System' 11267 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11267 _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 'Solution Structure of Human SUMO-2 (SMT3B), a Ubiquitin-like Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 C. Zhao . . . 11267 1 2 K. Saito . . . 11267 1 3 S. Koshiba . . . 11267 1 4 M. Inoue . . . 11267 1 5 T. Kigawa . . . 11267 1 6 S. Yokoyama . . . 11267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11267 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-like protein SMT3B' _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 'ubiquitin-like molecule' 1 $entity_1 A . yes native no no . . . 11267 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wz0 . . . . . . 11267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like molecule' _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 ; GSSGSSGMADEKPKEGVKTE NNDHINLKVAGQDGSVVQFK IKRHTPLSKLMKAYCERQGL SMRQIRFRFDGQPINETDTP AQLEMEDEDTIDVFQQQTSG PSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19961 . entity_1 . . . . . 75.96 82 98.73 98.73 4.48e-50 . . . . 11267 1 2 no PDB 1U4A . "Solution Structure Of Human Sumo-3 C47s" . . . . . 75.96 87 97.47 97.47 8.76e-49 . . . . 11267 1 3 no PDB 1WM2 . "Crystal Structure Of Human Sumo-2 Protein" . . . . . 75.00 78 100.00 100.00 2.15e-50 . . . . 11267 1 4 no PDB 1WM3 . "Crystal Structure Of Human Sumo-2 Protein" . . . . . 69.23 72 100.00 100.00 1.37e-45 . . . . 11267 1 5 no PDB 1WZ0 . "Solution Structure Of Human Sumo-2 (Smt3b), A Ubiquitin- Like Protein" . . . . . 100.00 104 100.00 100.00 8.95e-70 . . . . 11267 1 6 no PDB 2AWT . "Solution Structure Of Human Small Ubiquitin-Like Modifier Protein Isoform 2 (Sumo-2)" . . . . . 89.42 95 98.92 98.92 7.10e-61 . . . . 11267 1 7 no PDB 2CKH . "Senp1-sumo2 Complex" . . . . . 75.96 79 98.73 98.73 4.90e-50 . . . . 11267 1 8 no PDB 2D07 . "Crystal Structure Of Sumo-3-Modified Thymine-Dna Glycosylase" . . . . . 89.42 93 98.92 98.92 7.54e-61 . . . . 11267 1 9 no PDB 2IO0 . "Crystal Structure Of Human Senp2 In Complex With Presumo-2" . . . . . 75.96 91 98.73 98.73 2.99e-50 . . . . 11267 1 10 no PDB 2IO1 . "Crystal Structure Of Human Senp2 In Complex With Presumo-3" . . . . . 75.96 94 98.73 98.73 4.78e-50 . . . . 11267 1 11 no PDB 2IO3 . "Crystal Structure Of Human Senp2 In Complex With Rangap1- Sumo-2" . . . . . 75.96 81 98.73 98.73 4.04e-50 . . . . 11267 1 12 no PDB 2IYD . "Senp1 Covalent Complex With Sumo-2" . . . . . 75.96 81 98.73 98.73 5.13e-50 . . . . 11267 1 13 no PDB 2MP2 . "Solution Structure Of Sumo Dimer In Complex With Sim2-3 From Rnf4" . . . . . 75.96 82 98.73 98.73 4.48e-50 . . . . 11267 1 14 no PDB 2RPQ . "Solution Structure Of A Sumo-Interacting Motif Of Mbd1- Containing Chromatin-Associated Factor 1 Bound To Sumo-3" . . . . . 89.42 93 98.92 98.92 7.54e-61 . . . . 11267 1 15 no PDB 3UIN . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2" . . . . . 76.92 80 98.75 98.75 6.52e-51 . . . . 11267 1 16 no PDB 3UIO . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 76.92 80 98.75 98.75 6.52e-51 . . . . 11267 1 17 no PDB 3ZO5 . "Structure Of Senp2-loop1 In Complex With Presumo-2" . . . . . 75.96 89 98.73 98.73 3.62e-50 . . . . 11267 1 18 no PDB 4NPN . "Crystal Structure Of Human Tetra-sumo-2" . . . . . 78.85 102 98.78 98.78 1.83e-52 . . . . 11267 1 19 no PDB 5D2M . "Complex Between Human Sumo2-rangap1, Ubc9 And Znf451" . . . . . 75.96 83 98.73 98.73 4.82e-50 . . . . 11267 1 20 no DBJ BAB28360 . "unnamed protein product [Mus musculus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 21 no DBJ BAC39397 . "unnamed protein product [Mus musculus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 22 no DBJ BAE21037 . "unnamed protein product [Mus musculus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 23 no DBJ BAE35772 . "unnamed protein product [Mus musculus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 24 no DBJ BAE39412 . "unnamed protein product [Mus musculus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 25 no EMBL CAA67897 . "SMT3B protein [Homo sapiens]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 26 no EMBL CAG32064 . "hypothetical protein RCJMB04_17a7 [Gallus gallus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 27 no EMBL CAL37097 . "SUMO2 protein [Sus scrofa]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 28 no GB AAB49682 . "ubiquitin-like protein [Bos taurus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 29 no GB AAB92355 . "nonstructural protein P125-2, partial [Bovine viral diarrhea virus 1]" . . . . . 90.38 239 97.87 97.87 2.98e-59 . . . . 11267 1 30 no GB AAD45399 . "MIF2 suppressor [Homo sapiens]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 31 no GB AAH08450 . "SMT3 suppressor of mif two 3 homolog 2 (S. cerevisiae) [Homo sapiens]" . . . . . 89.42 95 97.85 98.92 2.68e-60 . . . . 11267 1 32 no GB AAH16775 . "SMT3 suppressor of mif two 3 homolog 2 (S. cerevisiae) [Homo sapiens]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 33 no REF NP_001003422 . "small ubiquitin-related modifier 2 precursor [Danio rerio]" . . . . . 89.42 96 97.85 98.92 2.08e-60 . . . . 11267 1 34 no REF NP_001074186 . "small ubiquitin-related modifier 2 precursor [Gallus gallus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 35 no REF NP_001185620 . "small ubiquitin-related modifier 2 [Macaca mulatta]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 36 no REF NP_001231073 . "small ubiquitin-related modifier 2 [Cricetulus griseus]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 37 no REF NP_001239218 . "small ubiquitin-related modifier 2 [Canis lupus familiaris]" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 38 no SP P61955 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=Ubiquitin-like protein SMT3B; Short=Smt3B; Flags:" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 39 no SP P61956 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=HSMT3; AltName: Full=SMT3 homolog 2; AltName: Ful" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 40 no SP P61957 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=SMT3 homolog 2; AltName: Full=Ubiquitin-like prot" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 41 no SP P61958 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=MIF2 suppressor; AltName: Full=SMT3 homolog 2; Al" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 42 no SP P61959 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=SMT3 homolog 2; AltName: Full=Sentrin-2; AltName:" . . . . . 89.42 95 98.92 98.92 6.87e-61 . . . . 11267 1 43 no TPG DAA13334 . "TPA: SMT3 supressor of mif two 3 homolog 2-like isoform 1 [Bos taurus]" . . . . . 89.42 95 97.85 97.85 3.48e-60 . . . . 11267 1 44 no TPG DAA18189 . "TPA: small ubiquitin-related modifier 2 precursor [Bos taurus]" . . . . . 84.62 88 100.00 100.00 3.74e-58 . . . . 11267 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like molecule' . 11267 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11267 1 2 . SER . 11267 1 3 . SER . 11267 1 4 . GLY . 11267 1 5 . SER . 11267 1 6 . SER . 11267 1 7 . GLY . 11267 1 8 . MET . 11267 1 9 . ALA . 11267 1 10 . ASP . 11267 1 11 . GLU . 11267 1 12 . LYS . 11267 1 13 . PRO . 11267 1 14 . LYS . 11267 1 15 . GLU . 11267 1 16 . GLY . 11267 1 17 . VAL . 11267 1 18 . LYS . 11267 1 19 . THR . 11267 1 20 . GLU . 11267 1 21 . ASN . 11267 1 22 . ASN . 11267 1 23 . ASP . 11267 1 24 . HIS . 11267 1 25 . ILE . 11267 1 26 . ASN . 11267 1 27 . LEU . 11267 1 28 . LYS . 11267 1 29 . VAL . 11267 1 30 . ALA . 11267 1 31 . GLY . 11267 1 32 . GLN . 11267 1 33 . ASP . 11267 1 34 . GLY . 11267 1 35 . SER . 11267 1 36 . VAL . 11267 1 37 . VAL . 11267 1 38 . GLN . 11267 1 39 . PHE . 11267 1 40 . LYS . 11267 1 41 . ILE . 11267 1 42 . LYS . 11267 1 43 . ARG . 11267 1 44 . HIS . 11267 1 45 . THR . 11267 1 46 . PRO . 11267 1 47 . LEU . 11267 1 48 . SER . 11267 1 49 . LYS . 11267 1 50 . LEU . 11267 1 51 . MET . 11267 1 52 . LYS . 11267 1 53 . ALA . 11267 1 54 . TYR . 11267 1 55 . CYS . 11267 1 56 . GLU . 11267 1 57 . ARG . 11267 1 58 . GLN . 11267 1 59 . GLY . 11267 1 60 . LEU . 11267 1 61 . SER . 11267 1 62 . MET . 11267 1 63 . ARG . 11267 1 64 . GLN . 11267 1 65 . ILE . 11267 1 66 . ARG . 11267 1 67 . PHE . 11267 1 68 . ARG . 11267 1 69 . PHE . 11267 1 70 . ASP . 11267 1 71 . GLY . 11267 1 72 . GLN . 11267 1 73 . PRO . 11267 1 74 . ILE . 11267 1 75 . ASN . 11267 1 76 . GLU . 11267 1 77 . THR . 11267 1 78 . ASP . 11267 1 79 . THR . 11267 1 80 . PRO . 11267 1 81 . ALA . 11267 1 82 . GLN . 11267 1 83 . LEU . 11267 1 84 . GLU . 11267 1 85 . MET . 11267 1 86 . GLU . 11267 1 87 . ASP . 11267 1 88 . GLU . 11267 1 89 . ASP . 11267 1 90 . THR . 11267 1 91 . ILE . 11267 1 92 . ASP . 11267 1 93 . VAL . 11267 1 94 . PHE . 11267 1 95 . GLN . 11267 1 96 . GLN . 11267 1 97 . GLN . 11267 1 98 . THR . 11267 1 99 . SER . 11267 1 100 . GLY . 11267 1 101 . PRO . 11267 1 102 . SER . 11267 1 103 . SER . 11267 1 104 . GLY . 11267 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11267 1 . SER 2 2 11267 1 . SER 3 3 11267 1 . GLY 4 4 11267 1 . SER 5 5 11267 1 . SER 6 6 11267 1 . GLY 7 7 11267 1 . MET 8 8 11267 1 . ALA 9 9 11267 1 . ASP 10 10 11267 1 . GLU 11 11 11267 1 . LYS 12 12 11267 1 . PRO 13 13 11267 1 . LYS 14 14 11267 1 . GLU 15 15 11267 1 . GLY 16 16 11267 1 . VAL 17 17 11267 1 . LYS 18 18 11267 1 . THR 19 19 11267 1 . GLU 20 20 11267 1 . ASN 21 21 11267 1 . ASN 22 22 11267 1 . ASP 23 23 11267 1 . HIS 24 24 11267 1 . ILE 25 25 11267 1 . ASN 26 26 11267 1 . LEU 27 27 11267 1 . LYS 28 28 11267 1 . VAL 29 29 11267 1 . ALA 30 30 11267 1 . GLY 31 31 11267 1 . GLN 32 32 11267 1 . ASP 33 33 11267 1 . GLY 34 34 11267 1 . SER 35 35 11267 1 . VAL 36 36 11267 1 . VAL 37 37 11267 1 . GLN 38 38 11267 1 . PHE 39 39 11267 1 . LYS 40 40 11267 1 . ILE 41 41 11267 1 . LYS 42 42 11267 1 . ARG 43 43 11267 1 . HIS 44 44 11267 1 . THR 45 45 11267 1 . PRO 46 46 11267 1 . LEU 47 47 11267 1 . SER 48 48 11267 1 . LYS 49 49 11267 1 . LEU 50 50 11267 1 . MET 51 51 11267 1 . LYS 52 52 11267 1 . ALA 53 53 11267 1 . TYR 54 54 11267 1 . CYS 55 55 11267 1 . GLU 56 56 11267 1 . ARG 57 57 11267 1 . GLN 58 58 11267 1 . GLY 59 59 11267 1 . LEU 60 60 11267 1 . SER 61 61 11267 1 . MET 62 62 11267 1 . ARG 63 63 11267 1 . GLN 64 64 11267 1 . ILE 65 65 11267 1 . ARG 66 66 11267 1 . PHE 67 67 11267 1 . ARG 68 68 11267 1 . PHE 69 69 11267 1 . ASP 70 70 11267 1 . GLY 71 71 11267 1 . GLN 72 72 11267 1 . PRO 73 73 11267 1 . ILE 74 74 11267 1 . ASN 75 75 11267 1 . GLU 76 76 11267 1 . THR 77 77 11267 1 . ASP 78 78 11267 1 . THR 79 79 11267 1 . PRO 80 80 11267 1 . ALA 81 81 11267 1 . GLN 82 82 11267 1 . LEU 83 83 11267 1 . GLU 84 84 11267 1 . MET 85 85 11267 1 . GLU 86 86 11267 1 . ASP 87 87 11267 1 . GLU 88 88 11267 1 . ASP 89 89 11267 1 . THR 90 90 11267 1 . ILE 91 91 11267 1 . ASP 92 92 11267 1 . VAL 93 93 11267 1 . PHE 94 94 11267 1 . GLN 95 95 11267 1 . GLN 96 96 11267 1 . GLN 97 97 11267 1 . THR 98 98 11267 1 . SER 99 99 11267 1 . GLY 100 100 11267 1 . PRO 101 101 11267 1 . SER 102 102 11267 1 . SER 103 103 11267 1 . GLY 104 104 11267 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 11267 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11267 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 11267 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040510-09 . . . . . . 11267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11267 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.21mM protein U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _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 'ubiquitin-like molecule' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.21 . . mM . . . . 11267 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11267 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11267 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11267 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11267 1 6 H2O . . . . . . solvent 90 . . % . . . . 11267 1 7 D2O . . . . . . solvent 10 . . % . . . . 11267 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11267 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 0.1 mM 11267 1 pH 7.0 0.05 pH 11267 1 pressure 1 0.001 atm 11267 1 temperature 298.0 0.1 K 11267 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11267 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11267 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11267 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11267 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11267 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11267 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11267 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11267 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11267 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11267 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11267 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11267 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11267 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11267 5 'structure solution' 11267 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11267 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11267 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11267 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 11267 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11267 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11267 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11267 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11267 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11267 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11267 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11267 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11267 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11267 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11267 1 2 $NMRPipe . . 11267 1 3 $NMRview . . 11267 1 4 $Kujira . . 11267 1 5 $CYANA . . 11267 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.979 0.030 . 1 . . . . 7 GLY HA2 . 11267 1 2 . 1 1 7 7 GLY HA3 H 1 3.979 0.030 . 1 . . . . 7 GLY HA3 . 11267 1 3 . 1 1 7 7 GLY C C 13 174.248 0.300 . 1 . . . . 7 GLY C . 11267 1 4 . 1 1 7 7 GLY CA C 13 45.514 0.300 . 1 . . . . 7 GLY CA . 11267 1 5 . 1 1 8 8 MET H H 1 8.195 0.030 . 1 . . . . 8 MET H . 11267 1 6 . 1 1 8 8 MET HA H 1 4.505 0.030 . 1 . . . . 8 MET HA . 11267 1 7 . 1 1 8 8 MET HB2 H 1 2.012 0.030 . 2 . . . . 8 MET HB2 . 11267 1 8 . 1 1 8 8 MET HB3 H 1 2.128 0.030 . 2 . . . . 8 MET HB3 . 11267 1 9 . 1 1 8 8 MET HG2 H 1 2.544 0.030 . 2 . . . . 8 MET HG2 . 11267 1 10 . 1 1 8 8 MET HG3 H 1 2.624 0.030 . 2 . . . . 8 MET HG3 . 11267 1 11 . 1 1 8 8 MET C C 13 176.168 0.300 . 1 . . . . 8 MET C . 11267 1 12 . 1 1 8 8 MET CA C 13 55.465 0.300 . 1 . . . . 8 MET CA . 11267 1 13 . 1 1 8 8 MET CB C 13 33.083 0.300 . 1 . . . . 8 MET CB . 11267 1 14 . 1 1 8 8 MET CG C 13 32.070 0.300 . 1 . . . . 8 MET CG . 11267 1 15 . 1 1 8 8 MET N N 15 119.874 0.300 . 1 . . . . 8 MET N . 11267 1 16 . 1 1 9 9 ALA H H 1 8.389 0.030 . 1 . . . . 9 ALA H . 11267 1 17 . 1 1 9 9 ALA HA H 1 4.331 0.030 . 1 . . . . 9 ALA HA . 11267 1 18 . 1 1 9 9 ALA HB1 H 1 1.406 0.030 . 1 . . . . 9 ALA HB . 11267 1 19 . 1 1 9 9 ALA HB2 H 1 1.406 0.030 . 1 . . . . 9 ALA HB . 11267 1 20 . 1 1 9 9 ALA HB3 H 1 1.406 0.030 . 1 . . . . 9 ALA HB . 11267 1 21 . 1 1 9 9 ALA C C 13 177.408 0.300 . 1 . . . . 9 ALA C . 11267 1 22 . 1 1 9 9 ALA CA C 13 52.724 0.300 . 1 . . . . 9 ALA CA . 11267 1 23 . 1 1 9 9 ALA CB C 13 19.240 0.300 . 1 . . . . 9 ALA CB . 11267 1 24 . 1 1 9 9 ALA N N 15 125.080 0.300 . 1 . . . . 9 ALA N . 11267 1 25 . 1 1 10 10 ASP H H 1 8.267 0.030 . 1 . . . . 10 ASP H . 11267 1 26 . 1 1 10 10 ASP HA H 1 4.595 0.030 . 1 . . . . 10 ASP HA . 11267 1 27 . 1 1 10 10 ASP HB2 H 1 2.604 0.030 . 2 . . . . 10 ASP HB2 . 11267 1 28 . 1 1 10 10 ASP HB3 H 1 2.699 0.030 . 2 . . . . 10 ASP HB3 . 11267 1 29 . 1 1 10 10 ASP C C 13 176.059 0.300 . 1 . . . . 10 ASP C . 11267 1 30 . 1 1 10 10 ASP CA C 13 54.336 0.300 . 1 . . . . 10 ASP CA . 11267 1 31 . 1 1 10 10 ASP CB C 13 41.184 0.300 . 1 . . . . 10 ASP CB . 11267 1 32 . 1 1 10 10 ASP N N 15 119.488 0.300 . 1 . . . . 10 ASP N . 11267 1 33 . 1 1 11 11 GLU H H 1 8.243 0.030 . 1 . . . . 11 GLU H . 11267 1 34 . 1 1 11 11 GLU HA H 1 4.290 0.030 . 1 . . . . 11 GLU HA . 11267 1 35 . 1 1 11 11 GLU HB2 H 1 1.933 0.030 . 2 . . . . 11 GLU HB2 . 11267 1 36 . 1 1 11 11 GLU HB3 H 1 2.013 0.030 . 2 . . . . 11 GLU HB3 . 11267 1 37 . 1 1 11 11 GLU HG2 H 1 2.241 0.030 . 1 . . . . 11 GLU HG2 . 11267 1 38 . 1 1 11 11 GLU HG3 H 1 2.241 0.030 . 1 . . . . 11 GLU HG3 . 11267 1 39 . 1 1 11 11 GLU C C 13 176.252 0.300 . 1 . . . . 11 GLU C . 11267 1 40 . 1 1 11 11 GLU CA C 13 56.354 0.300 . 1 . . . . 11 GLU CA . 11267 1 41 . 1 1 11 11 GLU CB C 13 30.521 0.300 . 1 . . . . 11 GLU CB . 11267 1 42 . 1 1 11 11 GLU CG C 13 36.324 0.300 . 1 . . . . 11 GLU CG . 11267 1 43 . 1 1 11 11 GLU N N 15 121.216 0.300 . 1 . . . . 11 GLU N . 11267 1 44 . 1 1 12 12 LYS H H 1 8.347 0.030 . 1 . . . . 12 LYS H . 11267 1 45 . 1 1 12 12 LYS HA H 1 4.286 0.030 . 1 . . . . 12 LYS HA . 11267 1 46 . 1 1 12 12 LYS HB2 H 1 1.753 0.030 . 1 . . . . 12 LYS HB2 . 11267 1 47 . 1 1 12 12 LYS HB3 H 1 1.753 0.030 . 1 . . . . 12 LYS HB3 . 11267 1 48 . 1 1 12 12 LYS HG2 H 1 1.499 0.030 . 1 . . . . 12 LYS HG2 . 11267 1 49 . 1 1 12 12 LYS HG3 H 1 1.499 0.030 . 1 . . . . 12 LYS HG3 . 11267 1 50 . 1 1 12 12 LYS C C 13 174.453 0.300 . 1 . . . . 12 LYS C . 11267 1 51 . 1 1 12 12 LYS CA C 13 54.373 0.300 . 1 . . . . 12 LYS CA . 11267 1 52 . 1 1 12 12 LYS CB C 13 32.360 0.300 . 1 . . . . 12 LYS CB . 11267 1 53 . 1 1 12 12 LYS N N 15 123.983 0.300 . 1 . . . . 12 LYS N . 11267 1 54 . 1 1 13 13 PRO HA H 1 4.436 0.030 . 1 . . . . 13 PRO HA . 11267 1 55 . 1 1 13 13 PRO HB2 H 1 1.876 0.030 . 2 . . . . 13 PRO HB2 . 11267 1 56 . 1 1 13 13 PRO HB3 H 1 2.310 0.030 . 2 . . . . 13 PRO HB3 . 11267 1 57 . 1 1 13 13 PRO HD2 H 1 3.639 0.030 . 2 . . . . 13 PRO HD2 . 11267 1 58 . 1 1 13 13 PRO HD3 H 1 3.852 0.030 . 2 . . . . 13 PRO HD3 . 11267 1 59 . 1 1 13 13 PRO HG2 H 1 2.047 0.030 . 1 . . . . 13 PRO HG2 . 11267 1 60 . 1 1 13 13 PRO HG3 H 1 2.047 0.030 . 1 . . . . 13 PRO HG3 . 11267 1 61 . 1 1 13 13 PRO C C 13 177.032 0.300 . 1 . . . . 13 PRO C . 11267 1 62 . 1 1 13 13 PRO CA C 13 63.076 0.300 . 1 . . . . 13 PRO CA . 11267 1 63 . 1 1 13 13 PRO CB C 13 32.113 0.300 . 1 . . . . 13 PRO CB . 11267 1 64 . 1 1 13 13 PRO CD C 13 50.733 0.300 . 1 . . . . 13 PRO CD . 11267 1 65 . 1 1 13 13 PRO CG C 13 27.605 0.300 . 1 . . . . 13 PRO CG . 11267 1 66 . 1 1 14 14 LYS H H 1 8.504 0.030 . 1 . . . . 14 LYS H . 11267 1 67 . 1 1 14 14 LYS HA H 1 4.264 0.030 . 1 . . . . 14 LYS HA . 11267 1 68 . 1 1 14 14 LYS HB2 H 1 1.777 0.030 . 2 . . . . 14 LYS HB2 . 11267 1 69 . 1 1 14 14 LYS HB3 H 1 1.852 0.030 . 2 . . . . 14 LYS HB3 . 11267 1 70 . 1 1 14 14 LYS HD2 H 1 1.704 0.030 . 1 . . . . 14 LYS HD2 . 11267 1 71 . 1 1 14 14 LYS HD3 H 1 1.704 0.030 . 1 . . . . 14 LYS HD3 . 11267 1 72 . 1 1 14 14 LYS HE2 H 1 3.006 0.030 . 1 . . . . 14 LYS HE2 . 11267 1 73 . 1 1 14 14 LYS HE3 H 1 3.006 0.030 . 1 . . . . 14 LYS HE3 . 11267 1 74 . 1 1 14 14 LYS HG2 H 1 1.475 0.030 . 1 . . . . 14 LYS HG2 . 11267 1 75 . 1 1 14 14 LYS HG3 H 1 1.475 0.030 . 1 . . . . 14 LYS HG3 . 11267 1 76 . 1 1 14 14 LYS C C 13 176.785 0.300 . 1 . . . . 14 LYS C . 11267 1 77 . 1 1 14 14 LYS CA C 13 56.508 0.300 . 1 . . . . 14 LYS CA . 11267 1 78 . 1 1 14 14 LYS CB C 13 33.014 0.300 . 1 . . . . 14 LYS CB . 11267 1 79 . 1 1 14 14 LYS CD C 13 29.086 0.300 . 1 . . . . 14 LYS CD . 11267 1 80 . 1 1 14 14 LYS CE C 13 42.246 0.300 . 1 . . . . 14 LYS CE . 11267 1 81 . 1 1 14 14 LYS CG C 13 24.891 0.300 . 1 . . . . 14 LYS CG . 11267 1 82 . 1 1 14 14 LYS N N 15 122.318 0.300 . 1 . . . . 14 LYS N . 11267 1 83 . 1 1 15 15 GLU H H 1 8.472 0.030 . 1 . . . . 15 GLU H . 11267 1 84 . 1 1 15 15 GLU HA H 1 4.287 0.030 . 1 . . . . 15 GLU HA . 11267 1 85 . 1 1 15 15 GLU HB2 H 1 1.965 0.030 . 1 . . . . 15 GLU HB2 . 11267 1 86 . 1 1 15 15 GLU HB3 H 1 1.965 0.030 . 1 . . . . 15 GLU HB3 . 11267 1 87 . 1 1 15 15 GLU HG2 H 1 2.264 0.030 . 1 . . . . 15 GLU HG2 . 11267 1 88 . 1 1 15 15 GLU HG3 H 1 2.264 0.030 . 1 . . . . 15 GLU HG3 . 11267 1 89 . 1 1 15 15 GLU C C 13 176.927 0.300 . 1 . . . . 15 GLU C . 11267 1 90 . 1 1 15 15 GLU CA C 13 56.564 0.300 . 1 . . . . 15 GLU CA . 11267 1 91 . 1 1 15 15 GLU CB C 13 30.398 0.300 . 1 . . . . 15 GLU CB . 11267 1 92 . 1 1 15 15 GLU CG C 13 36.324 0.300 . 1 . . . . 15 GLU CG . 11267 1 93 . 1 1 15 15 GLU N N 15 122.039 0.300 . 1 . . . . 15 GLU N . 11267 1 94 . 1 1 16 16 GLY H H 1 8.460 0.030 . 1 . . . . 16 GLY H . 11267 1 95 . 1 1 16 16 GLY HA2 H 1 3.967 0.030 . 1 . . . . 16 GLY HA2 . 11267 1 96 . 1 1 16 16 GLY HA3 H 1 3.967 0.030 . 1 . . . . 16 GLY HA3 . 11267 1 97 . 1 1 16 16 GLY C C 13 174.011 0.300 . 1 . . . . 16 GLY C . 11267 1 98 . 1 1 16 16 GLY CA C 13 45.256 0.300 . 1 . . . . 16 GLY CA . 11267 1 99 . 1 1 16 16 GLY N N 15 110.244 0.300 . 1 . . . . 16 GLY N . 11267 1 100 . 1 1 17 17 VAL H H 1 7.974 0.030 . 1 . . . . 17 VAL H . 11267 1 101 . 1 1 17 17 VAL HA H 1 4.127 0.030 . 1 . . . . 17 VAL HA . 11267 1 102 . 1 1 17 17 VAL HB H 1 2.059 0.030 . 1 . . . . 17 VAL HB . 11267 1 103 . 1 1 17 17 VAL HG11 H 1 0.935 0.030 . 1 . . . . 17 VAL HG1 . 11267 1 104 . 1 1 17 17 VAL HG12 H 1 0.935 0.030 . 1 . . . . 17 VAL HG1 . 11267 1 105 . 1 1 17 17 VAL HG13 H 1 0.935 0.030 . 1 . . . . 17 VAL HG1 . 11267 1 106 . 1 1 17 17 VAL HG21 H 1 0.941 0.030 . 1 . . . . 17 VAL HG2 . 11267 1 107 . 1 1 17 17 VAL HG22 H 1 0.941 0.030 . 1 . . . . 17 VAL HG2 . 11267 1 108 . 1 1 17 17 VAL HG23 H 1 0.941 0.030 . 1 . . . . 17 VAL HG2 . 11267 1 109 . 1 1 17 17 VAL C C 13 176.288 0.300 . 1 . . . . 17 VAL C . 11267 1 110 . 1 1 17 17 VAL CA C 13 62.324 0.300 . 1 . . . . 17 VAL CA . 11267 1 111 . 1 1 17 17 VAL CB C 13 32.809 0.300 . 1 . . . . 17 VAL CB . 11267 1 112 . 1 1 17 17 VAL CG1 C 13 20.664 0.300 . 2 . . . . 17 VAL CG1 . 11267 1 113 . 1 1 17 17 VAL CG2 C 13 21.196 0.300 . 2 . . . . 17 VAL CG2 . 11267 1 114 . 1 1 17 17 VAL N N 15 119.535 0.300 . 1 . . . . 17 VAL N . 11267 1 115 . 1 1 18 18 LYS H H 1 8.518 0.030 . 1 . . . . 18 LYS H . 11267 1 116 . 1 1 18 18 LYS HA H 1 4.444 0.030 . 1 . . . . 18 LYS HA . 11267 1 117 . 1 1 18 18 LYS HB2 H 1 1.867 0.030 . 2 . . . . 18 LYS HB2 . 11267 1 118 . 1 1 18 18 LYS HB3 H 1 1.787 0.030 . 2 . . . . 18 LYS HB3 . 11267 1 119 . 1 1 18 18 LYS HD2 H 1 1.704 0.030 . 1 . . . . 18 LYS HD2 . 11267 1 120 . 1 1 18 18 LYS HD3 H 1 1.704 0.030 . 1 . . . . 18 LYS HD3 . 11267 1 121 . 1 1 18 18 LYS HE2 H 1 2.995 0.030 . 1 . . . . 18 LYS HE2 . 11267 1 122 . 1 1 18 18 LYS HE3 H 1 2.995 0.030 . 1 . . . . 18 LYS HE3 . 11267 1 123 . 1 1 18 18 LYS HG2 H 1 1.464 0.030 . 1 . . . . 18 LYS HG2 . 11267 1 124 . 1 1 18 18 LYS HG3 H 1 1.464 0.030 . 1 . . . . 18 LYS HG3 . 11267 1 125 . 1 1 18 18 LYS C C 13 176.761 0.300 . 1 . . . . 18 LYS C . 11267 1 126 . 1 1 18 18 LYS CA C 13 56.277 0.300 . 1 . . . . 18 LYS CA . 11267 1 127 . 1 1 18 18 LYS CB C 13 33.014 0.300 . 1 . . . . 18 LYS CB . 11267 1 128 . 1 1 18 18 LYS CD C 13 29.003 0.300 . 1 . . . . 18 LYS CD . 11267 1 129 . 1 1 18 18 LYS CE C 13 42.246 0.300 . 1 . . . . 18 LYS CE . 11267 1 130 . 1 1 18 18 LYS CG C 13 24.809 0.300 . 1 . . . . 18 LYS CG . 11267 1 131 . 1 1 18 18 LYS N N 15 125.846 0.300 . 1 . . . . 18 LYS N . 11267 1 132 . 1 1 19 19 THR H H 1 8.251 0.030 . 1 . . . . 19 THR H . 11267 1 133 . 1 1 19 19 THR HA H 1 4.324 0.030 . 1 . . . . 19 THR HA . 11267 1 134 . 1 1 19 19 THR HB H 1 4.214 0.030 . 1 . . . . 19 THR HB . 11267 1 135 . 1 1 19 19 THR HG21 H 1 1.200 0.030 . 1 . . . . 19 THR HG2 . 11267 1 136 . 1 1 19 19 THR HG22 H 1 1.200 0.030 . 1 . . . . 19 THR HG2 . 11267 1 137 . 1 1 19 19 THR HG23 H 1 1.200 0.030 . 1 . . . . 19 THR HG2 . 11267 1 138 . 1 1 19 19 THR C C 13 174.521 0.300 . 1 . . . . 19 THR C . 11267 1 139 . 1 1 19 19 THR CA C 13 61.898 0.300 . 1 . . . . 19 THR CA . 11267 1 140 . 1 1 19 19 THR CB C 13 69.867 0.300 . 1 . . . . 19 THR CB . 11267 1 141 . 1 1 19 19 THR CG2 C 13 21.502 0.300 . 1 . . . . 19 THR CG2 . 11267 1 142 . 1 1 19 19 THR N N 15 116.303 0.300 . 1 . . . . 19 THR N . 11267 1 143 . 1 1 20 20 GLU H H 1 8.502 0.030 . 1 . . . . 20 GLU H . 11267 1 144 . 1 1 20 20 GLU HA H 1 4.334 0.030 . 1 . . . . 20 GLU HA . 11267 1 145 . 1 1 20 20 GLU HB2 H 1 1.939 0.030 . 1 . . . . 20 GLU HB2 . 11267 1 146 . 1 1 20 20 GLU HB3 H 1 1.939 0.030 . 1 . . . . 20 GLU HB3 . 11267 1 147 . 1 1 20 20 GLU HG2 H 1 2.058 0.030 . 2 . . . . 20 GLU HG2 . 11267 1 148 . 1 1 20 20 GLU HG3 H 1 2.241 0.030 . 2 . . . . 20 GLU HG3 . 11267 1 149 . 1 1 20 20 GLU C C 13 176.077 0.300 . 1 . . . . 20 GLU C . 11267 1 150 . 1 1 20 20 GLU CA C 13 56.412 0.300 . 1 . . . . 20 GLU CA . 11267 1 151 . 1 1 20 20 GLU CB C 13 30.568 0.300 . 1 . . . . 20 GLU CB . 11267 1 152 . 1 1 20 20 GLU N N 15 123.209 0.300 . 1 . . . . 20 GLU N . 11267 1 153 . 1 1 21 21 ASN HA H 1 4.936 0.030 . 1 . . . . 21 ASN HA . 11267 1 154 . 1 1 21 21 ASN HB2 H 1 2.686 0.030 . 2 . . . . 21 ASN HB2 . 11267 1 155 . 1 1 21 21 ASN HB3 H 1 2.919 0.030 . 2 . . . . 21 ASN HB3 . 11267 1 156 . 1 1 21 21 ASN HD21 H 1 6.963 0.030 . 2 . . . . 21 ASN HD21 . 11267 1 157 . 1 1 21 21 ASN HD22 H 1 7.578 0.030 . 2 . . . . 21 ASN HD22 . 11267 1 158 . 1 1 21 21 ASN CA C 13 52.762 0.300 . 1 . . . . 21 ASN CA . 11267 1 159 . 1 1 21 21 ASN CB C 13 38.803 0.300 . 1 . . . . 21 ASN CB . 11267 1 160 . 1 1 21 21 ASN ND2 N 15 111.856 0.300 . 1 . . . . 21 ASN ND2 . 11267 1 161 . 1 1 23 23 ASP HA H 1 4.619 0.030 . 1 . . . . 23 ASP HA . 11267 1 162 . 1 1 23 23 ASP HB2 H 1 2.699 0.030 . 1 . . . . 23 ASP HB2 . 11267 1 163 . 1 1 23 23 ASP HB3 H 1 2.699 0.030 . 1 . . . . 23 ASP HB3 . 11267 1 164 . 1 1 23 23 ASP C C 13 175.894 0.300 . 1 . . . . 23 ASP C . 11267 1 165 . 1 1 23 23 ASP CA C 13 54.564 0.300 . 1 . . . . 23 ASP CA . 11267 1 166 . 1 1 23 23 ASP CB C 13 41.049 0.300 . 1 . . . . 23 ASP CB . 11267 1 167 . 1 1 24 24 HIS H H 1 8.154 0.030 . 1 . . . . 24 HIS H . 11267 1 168 . 1 1 24 24 HIS HA H 1 4.870 0.030 . 1 . . . . 24 HIS HA . 11267 1 169 . 1 1 24 24 HIS HB2 H 1 2.927 0.030 . 2 . . . . 24 HIS HB2 . 11267 1 170 . 1 1 24 24 HIS HB3 H 1 2.812 0.030 . 2 . . . . 24 HIS HB3 . 11267 1 171 . 1 1 24 24 HIS HD2 H 1 6.574 0.030 . 1 . . . . 24 HIS HD2 . 11267 1 172 . 1 1 24 24 HIS HE1 H 1 7.758 0.030 . 1 . . . . 24 HIS HE1 . 11267 1 173 . 1 1 24 24 HIS C C 13 175.053 0.300 . 1 . . . . 24 HIS C . 11267 1 174 . 1 1 24 24 HIS CA C 13 57.141 0.300 . 1 . . . . 24 HIS CA . 11267 1 175 . 1 1 24 24 HIS CB C 13 32.235 0.300 . 1 . . . . 24 HIS CB . 11267 1 176 . 1 1 24 24 HIS CD2 C 13 121.908 0.300 . 1 . . . . 24 HIS CD2 . 11267 1 177 . 1 1 24 24 HIS CE1 C 13 138.763 0.300 . 1 . . . . 24 HIS CE1 . 11267 1 178 . 1 1 24 24 HIS N N 15 117.325 0.300 . 1 . . . . 24 HIS N . 11267 1 179 . 1 1 25 25 ILE H H 1 9.139 0.030 . 1 . . . . 25 ILE H . 11267 1 180 . 1 1 25 25 ILE HA H 1 4.652 0.030 . 1 . . . . 25 ILE HA . 11267 1 181 . 1 1 25 25 ILE HB H 1 1.625 0.030 . 1 . . . . 25 ILE HB . 11267 1 182 . 1 1 25 25 ILE HD11 H 1 0.505 0.030 . 1 . . . . 25 ILE HD1 . 11267 1 183 . 1 1 25 25 ILE HD12 H 1 0.505 0.030 . 1 . . . . 25 ILE HD1 . 11267 1 184 . 1 1 25 25 ILE HD13 H 1 0.505 0.030 . 1 . . . . 25 ILE HD1 . 11267 1 185 . 1 1 25 25 ILE HG12 H 1 0.909 0.030 . 2 . . . . 25 ILE HG12 . 11267 1 186 . 1 1 25 25 ILE HG13 H 1 1.358 0.030 . 2 . . . . 25 ILE HG13 . 11267 1 187 . 1 1 25 25 ILE HG21 H 1 0.760 0.030 . 1 . . . . 25 ILE HG2 . 11267 1 188 . 1 1 25 25 ILE HG22 H 1 0.760 0.030 . 1 . . . . 25 ILE HG2 . 11267 1 189 . 1 1 25 25 ILE HG23 H 1 0.760 0.030 . 1 . . . . 25 ILE HG2 . 11267 1 190 . 1 1 25 25 ILE C C 13 172.861 0.300 . 1 . . . . 25 ILE C . 11267 1 191 . 1 1 25 25 ILE CA C 13 59.801 0.300 . 1 . . . . 25 ILE CA . 11267 1 192 . 1 1 25 25 ILE CB C 13 42.246 0.300 . 1 . . . . 25 ILE CB . 11267 1 193 . 1 1 25 25 ILE CD1 C 13 14.548 0.300 . 1 . . . . 25 ILE CD1 . 11267 1 194 . 1 1 25 25 ILE CG1 C 13 26.487 0.300 . 1 . . . . 25 ILE CG1 . 11267 1 195 . 1 1 25 25 ILE CG2 C 13 16.905 0.300 . 1 . . . . 25 ILE CG2 . 11267 1 196 . 1 1 25 25 ILE N N 15 117.760 0.300 . 1 . . . . 25 ILE N . 11267 1 197 . 1 1 26 26 ASN H H 1 9.012 0.030 . 1 . . . . 26 ASN H . 11267 1 198 . 1 1 26 26 ASN HA H 1 5.476 0.030 . 1 . . . . 26 ASN HA . 11267 1 199 . 1 1 26 26 ASN HB2 H 1 2.727 0.030 . 2 . . . . 26 ASN HB2 . 11267 1 200 . 1 1 26 26 ASN HB3 H 1 2.562 0.030 . 2 . . . . 26 ASN HB3 . 11267 1 201 . 1 1 26 26 ASN HD21 H 1 6.783 0.030 . 2 . . . . 26 ASN HD21 . 11267 1 202 . 1 1 26 26 ASN HD22 H 1 8.098 0.030 . 2 . . . . 26 ASN HD22 . 11267 1 203 . 1 1 26 26 ASN C C 13 174.666 0.300 . 1 . . . . 26 ASN C . 11267 1 204 . 1 1 26 26 ASN CA C 13 52.373 0.300 . 1 . . . . 26 ASN CA . 11267 1 205 . 1 1 26 26 ASN CB C 13 40.371 0.300 . 1 . . . . 26 ASN CB . 11267 1 206 . 1 1 26 26 ASN N N 15 122.590 0.300 . 1 . . . . 26 ASN N . 11267 1 207 . 1 1 26 26 ASN ND2 N 15 114.832 0.300 . 1 . . . . 26 ASN ND2 . 11267 1 208 . 1 1 27 27 LEU H H 1 9.042 0.030 . 1 . . . . 27 LEU H . 11267 1 209 . 1 1 27 27 LEU HA H 1 5.121 0.030 . 1 . . . . 27 LEU HA . 11267 1 210 . 1 1 27 27 LEU HB2 H 1 1.440 0.030 . 2 . . . . 27 LEU HB2 . 11267 1 211 . 1 1 27 27 LEU HB3 H 1 1.227 0.030 . 2 . . . . 27 LEU HB3 . 11267 1 212 . 1 1 27 27 LEU HD11 H 1 0.663 0.030 . 1 . . . . 27 LEU HD1 . 11267 1 213 . 1 1 27 27 LEU HD12 H 1 0.663 0.030 . 1 . . . . 27 LEU HD1 . 11267 1 214 . 1 1 27 27 LEU HD13 H 1 0.663 0.030 . 1 . . . . 27 LEU HD1 . 11267 1 215 . 1 1 27 27 LEU HD21 H 1 0.872 0.030 . 1 . . . . 27 LEU HD2 . 11267 1 216 . 1 1 27 27 LEU HD22 H 1 0.872 0.030 . 1 . . . . 27 LEU HD2 . 11267 1 217 . 1 1 27 27 LEU HD23 H 1 0.872 0.030 . 1 . . . . 27 LEU HD2 . 11267 1 218 . 1 1 27 27 LEU HG H 1 1.444 0.030 . 1 . . . . 27 LEU HG . 11267 1 219 . 1 1 27 27 LEU C C 13 175.889 0.300 . 1 . . . . 27 LEU C . 11267 1 220 . 1 1 27 27 LEU CA C 13 53.008 0.300 . 1 . . . . 27 LEU CA . 11267 1 221 . 1 1 27 27 LEU CB C 13 46.786 0.300 . 1 . . . . 27 LEU CB . 11267 1 222 . 1 1 27 27 LEU CD1 C 13 26.725 0.300 . 2 . . . . 27 LEU CD1 . 11267 1 223 . 1 1 27 27 LEU CD2 C 13 24.391 0.300 . 2 . . . . 27 LEU CD2 . 11267 1 224 . 1 1 27 27 LEU CG C 13 27.166 0.300 . 1 . . . . 27 LEU CG . 11267 1 225 . 1 1 27 27 LEU N N 15 123.392 0.300 . 1 . . . . 27 LEU N . 11267 1 226 . 1 1 28 28 LYS H H 1 8.658 0.030 . 1 . . . . 28 LYS H . 11267 1 227 . 1 1 28 28 LYS HA H 1 4.948 0.030 . 1 . . . . 28 LYS HA . 11267 1 228 . 1 1 28 28 LYS HB2 H 1 1.953 0.030 . 2 . . . . 28 LYS HB2 . 11267 1 229 . 1 1 28 28 LYS HB3 H 1 1.568 0.030 . 2 . . . . 28 LYS HB3 . 11267 1 230 . 1 1 28 28 LYS HD2 H 1 1.601 0.030 . 1 . . . . 28 LYS HD2 . 11267 1 231 . 1 1 28 28 LYS HD3 H 1 1.601 0.030 . 1 . . . . 28 LYS HD3 . 11267 1 232 . 1 1 28 28 LYS HE2 H 1 2.885 0.030 . 2 . . . . 28 LYS HE2 . 11267 1 233 . 1 1 28 28 LYS HE3 H 1 2.929 0.030 . 2 . . . . 28 LYS HE3 . 11267 1 234 . 1 1 28 28 LYS HG2 H 1 1.262 0.030 . 2 . . . . 28 LYS HG2 . 11267 1 235 . 1 1 28 28 LYS HG3 H 1 1.295 0.030 . 2 . . . . 28 LYS HG3 . 11267 1 236 . 1 1 28 28 LYS C C 13 175.259 0.300 . 1 . . . . 28 LYS C . 11267 1 237 . 1 1 28 28 LYS CA C 13 55.094 0.300 . 1 . . . . 28 LYS CA . 11267 1 238 . 1 1 28 28 LYS CB C 13 34.622 0.300 . 1 . . . . 28 LYS CB . 11267 1 239 . 1 1 28 28 LYS CD C 13 29.250 0.300 . 1 . . . . 28 LYS CD . 11267 1 240 . 1 1 28 28 LYS CE C 13 42.122 0.300 . 1 . . . . 28 LYS CE . 11267 1 241 . 1 1 28 28 LYS CG C 13 25.796 0.300 . 1 . . . . 28 LYS CG . 11267 1 242 . 1 1 28 28 LYS N N 15 120.353 0.300 . 1 . . . . 28 LYS N . 11267 1 243 . 1 1 29 29 VAL H H 1 9.185 0.030 . 1 . . . . 29 VAL H . 11267 1 244 . 1 1 29 29 VAL HA H 1 4.942 0.030 . 1 . . . . 29 VAL HA . 11267 1 245 . 1 1 29 29 VAL HB H 1 2.048 0.030 . 1 . . . . 29 VAL HB . 11267 1 246 . 1 1 29 29 VAL HG11 H 1 0.100 0.030 . 1 . . . . 29 VAL HG1 . 11267 1 247 . 1 1 29 29 VAL HG12 H 1 0.100 0.030 . 1 . . . . 29 VAL HG1 . 11267 1 248 . 1 1 29 29 VAL HG13 H 1 0.100 0.030 . 1 . . . . 29 VAL HG1 . 11267 1 249 . 1 1 29 29 VAL HG21 H 1 0.774 0.030 . 1 . . . . 29 VAL HG2 . 11267 1 250 . 1 1 29 29 VAL HG22 H 1 0.774 0.030 . 1 . . . . 29 VAL HG2 . 11267 1 251 . 1 1 29 29 VAL HG23 H 1 0.774 0.030 . 1 . . . . 29 VAL HG2 . 11267 1 252 . 1 1 29 29 VAL C C 13 175.465 0.300 . 1 . . . . 29 VAL C . 11267 1 253 . 1 1 29 29 VAL CA C 13 61.278 0.300 . 1 . . . . 29 VAL CA . 11267 1 254 . 1 1 29 29 VAL CB C 13 32.605 0.300 . 1 . . . . 29 VAL CB . 11267 1 255 . 1 1 29 29 VAL CG1 C 13 22.528 0.300 . 2 . . . . 29 VAL CG1 . 11267 1 256 . 1 1 29 29 VAL CG2 C 13 21.751 0.300 . 2 . . . . 29 VAL CG2 . 11267 1 257 . 1 1 29 29 VAL N N 15 121.595 0.300 . 1 . . . . 29 VAL N . 11267 1 258 . 1 1 30 30 ALA H H 1 9.308 0.030 . 1 . . . . 30 ALA H . 11267 1 259 . 1 1 30 30 ALA HA H 1 5.284 0.030 . 1 . . . . 30 ALA HA . 11267 1 260 . 1 1 30 30 ALA HB1 H 1 1.431 0.030 . 1 . . . . 30 ALA HB . 11267 1 261 . 1 1 30 30 ALA HB2 H 1 1.431 0.030 . 1 . . . . 30 ALA HB . 11267 1 262 . 1 1 30 30 ALA HB3 H 1 1.431 0.030 . 1 . . . . 30 ALA HB . 11267 1 263 . 1 1 30 30 ALA C C 13 177.015 0.300 . 1 . . . . 30 ALA C . 11267 1 264 . 1 1 30 30 ALA CA C 13 50.841 0.300 . 1 . . . . 30 ALA CA . 11267 1 265 . 1 1 30 30 ALA CB C 13 21.129 0.300 . 1 . . . . 30 ALA CB . 11267 1 266 . 1 1 30 30 ALA N N 15 132.969 0.300 . 1 . . . . 30 ALA N . 11267 1 267 . 1 1 31 31 GLY H H 1 8.643 0.030 . 1 . . . . 31 GLY H . 11267 1 268 . 1 1 31 31 GLY HA2 H 1 4.609 0.030 . 2 . . . . 31 GLY HA2 . 11267 1 269 . 1 1 31 31 GLY HA3 H 1 3.809 0.030 . 2 . . . . 31 GLY HA3 . 11267 1 270 . 1 1 31 31 GLY C C 13 175.999 0.300 . 1 . . . . 31 GLY C . 11267 1 271 . 1 1 31 31 GLY CA C 13 43.926 0.300 . 1 . . . . 31 GLY CA . 11267 1 272 . 1 1 31 31 GLY N N 15 109.831 0.300 . 1 . . . . 31 GLY N . 11267 1 273 . 1 1 32 32 GLN H H 1 9.001 0.030 . 1 . . . . 32 GLN H . 11267 1 274 . 1 1 32 32 GLN HA H 1 4.206 0.030 . 1 . . . . 32 GLN HA . 11267 1 275 . 1 1 32 32 GLN HB2 H 1 2.253 0.030 . 2 . . . . 32 GLN HB2 . 11267 1 276 . 1 1 32 32 GLN HB3 H 1 2.084 0.030 . 2 . . . . 32 GLN HB3 . 11267 1 277 . 1 1 32 32 GLN HE21 H 1 7.627 0.030 . 2 . . . . 32 GLN HE21 . 11267 1 278 . 1 1 32 32 GLN HE22 H 1 6.997 0.030 . 2 . . . . 32 GLN HE22 . 11267 1 279 . 1 1 32 32 GLN HG2 H 1 2.476 0.030 . 1 . . . . 32 GLN HG2 . 11267 1 280 . 1 1 32 32 GLN HG3 H 1 2.476 0.030 . 1 . . . . 32 GLN HG3 . 11267 1 281 . 1 1 32 32 GLN C C 13 175.999 0.300 . 1 . . . . 32 GLN C . 11267 1 282 . 1 1 32 32 GLN CA C 13 57.862 0.300 . 1 . . . . 32 GLN CA . 11267 1 283 . 1 1 32 32 GLN CB C 13 28.838 0.300 . 1 . . . . 32 GLN CB . 11267 1 284 . 1 1 32 32 GLN CG C 13 34.800 0.300 . 1 . . . . 32 GLN CG . 11267 1 285 . 1 1 32 32 GLN N N 15 120.713 0.300 . 1 . . . . 32 GLN N . 11267 1 286 . 1 1 32 32 GLN NE2 N 15 113.905 0.300 . 1 . . . . 32 GLN NE2 . 11267 1 287 . 1 1 33 33 ASP H H 1 8.320 0.030 . 1 . . . . 33 ASP H . 11267 1 288 . 1 1 33 33 ASP HA H 1 4.546 0.030 . 1 . . . . 33 ASP HA . 11267 1 289 . 1 1 33 33 ASP HB2 H 1 3.076 0.030 . 2 . . . . 33 ASP HB2 . 11267 1 290 . 1 1 33 33 ASP HB3 H 1 2.693 0.030 . 2 . . . . 33 ASP HB3 . 11267 1 291 . 1 1 33 33 ASP C C 13 176.978 0.300 . 1 . . . . 33 ASP C . 11267 1 292 . 1 1 33 33 ASP CA C 13 53.173 0.300 . 1 . . . . 33 ASP CA . 11267 1 293 . 1 1 33 33 ASP CB C 13 40.146 0.300 . 1 . . . . 33 ASP CB . 11267 1 294 . 1 1 33 33 ASP N N 15 116.937 0.300 . 1 . . . . 33 ASP N . 11267 1 295 . 1 1 34 34 GLY H H 1 7.921 0.030 . 1 . . . . 34 GLY H . 11267 1 296 . 1 1 34 34 GLY HA2 H 1 4.324 0.030 . 2 . . . . 34 GLY HA2 . 11267 1 297 . 1 1 34 34 GLY HA3 H 1 3.763 0.030 . 2 . . . . 34 GLY HA3 . 11267 1 298 . 1 1 34 34 GLY C C 13 174.399 0.300 . 1 . . . . 34 GLY C . 11267 1 299 . 1 1 34 34 GLY CA C 13 45.301 0.300 . 1 . . . . 34 GLY CA . 11267 1 300 . 1 1 34 34 GLY N N 15 108.326 0.300 . 1 . . . . 34 GLY N . 11267 1 301 . 1 1 35 35 SER H H 1 8.023 0.030 . 1 . . . . 35 SER H . 11267 1 302 . 1 1 35 35 SER HA H 1 4.384 0.030 . 1 . . . . 35 SER HA . 11267 1 303 . 1 1 35 35 SER HB2 H 1 3.921 0.030 . 2 . . . . 35 SER HB2 . 11267 1 304 . 1 1 35 35 SER HB3 H 1 3.985 0.030 . 2 . . . . 35 SER HB3 . 11267 1 305 . 1 1 35 35 SER C C 13 174.545 0.300 . 1 . . . . 35 SER C . 11267 1 306 . 1 1 35 35 SER CA C 13 58.561 0.300 . 1 . . . . 35 SER CA . 11267 1 307 . 1 1 35 35 SER CB C 13 64.186 0.300 . 1 . . . . 35 SER CB . 11267 1 308 . 1 1 35 35 SER N N 15 116.891 0.300 . 1 . . . . 35 SER N . 11267 1 309 . 1 1 36 36 VAL H H 1 8.566 0.030 . 1 . . . . 36 VAL H . 11267 1 310 . 1 1 36 36 VAL HA H 1 5.008 0.030 . 1 . . . . 36 VAL HA . 11267 1 311 . 1 1 36 36 VAL HB H 1 1.971 0.030 . 1 . . . . 36 VAL HB . 11267 1 312 . 1 1 36 36 VAL HG11 H 1 0.872 0.030 . 1 . . . . 36 VAL HG1 . 11267 1 313 . 1 1 36 36 VAL HG12 H 1 0.872 0.030 . 1 . . . . 36 VAL HG1 . 11267 1 314 . 1 1 36 36 VAL HG13 H 1 0.872 0.030 . 1 . . . . 36 VAL HG1 . 11267 1 315 . 1 1 36 36 VAL HG21 H 1 0.976 0.030 . 1 . . . . 36 VAL HG2 . 11267 1 316 . 1 1 36 36 VAL HG22 H 1 0.976 0.030 . 1 . . . . 36 VAL HG2 . 11267 1 317 . 1 1 36 36 VAL HG23 H 1 0.976 0.030 . 1 . . . . 36 VAL HG2 . 11267 1 318 . 1 1 36 36 VAL C C 13 175.526 0.300 . 1 . . . . 36 VAL C . 11267 1 319 . 1 1 36 36 VAL CA C 13 61.961 0.300 . 1 . . . . 36 VAL CA . 11267 1 320 . 1 1 36 36 VAL CB C 13 35.092 0.300 . 1 . . . . 36 VAL CB . 11267 1 321 . 1 1 36 36 VAL CG1 C 13 21.884 0.300 . 2 . . . . 36 VAL CG1 . 11267 1 322 . 1 1 36 36 VAL CG2 C 13 21.371 0.300 . 2 . . . . 36 VAL CG2 . 11267 1 323 . 1 1 36 36 VAL N N 15 122.494 0.300 . 1 . . . . 36 VAL N . 11267 1 324 . 1 1 37 37 VAL H H 1 8.638 0.030 . 1 . . . . 37 VAL H . 11267 1 325 . 1 1 37 37 VAL HA H 1 4.390 0.030 . 1 . . . . 37 VAL HA . 11267 1 326 . 1 1 37 37 VAL HB H 1 2.114 0.030 . 1 . . . . 37 VAL HB . 11267 1 327 . 1 1 37 37 VAL HG11 H 1 0.820 0.030 . 1 . . . . 37 VAL HG1 . 11267 1 328 . 1 1 37 37 VAL HG12 H 1 0.820 0.030 . 1 . . . . 37 VAL HG1 . 11267 1 329 . 1 1 37 37 VAL HG13 H 1 0.820 0.030 . 1 . . . . 37 VAL HG1 . 11267 1 330 . 1 1 37 37 VAL HG21 H 1 1.095 0.030 . 1 . . . . 37 VAL HG2 . 11267 1 331 . 1 1 37 37 VAL HG22 H 1 1.095 0.030 . 1 . . . . 37 VAL HG2 . 11267 1 332 . 1 1 37 37 VAL HG23 H 1 1.095 0.030 . 1 . . . . 37 VAL HG2 . 11267 1 333 . 1 1 37 37 VAL C C 13 174.351 0.300 . 1 . . . . 37 VAL C . 11267 1 334 . 1 1 37 37 VAL CA C 13 61.021 0.300 . 1 . . . . 37 VAL CA . 11267 1 335 . 1 1 37 37 VAL CB C 13 34.896 0.300 . 1 . . . . 37 VAL CB . 11267 1 336 . 1 1 37 37 VAL CG1 C 13 22.700 0.300 . 2 . . . . 37 VAL CG1 . 11267 1 337 . 1 1 37 37 VAL CG2 C 13 21.519 0.300 . 2 . . . . 37 VAL CG2 . 11267 1 338 . 1 1 37 37 VAL N N 15 127.168 0.300 . 1 . . . . 37 VAL N . 11267 1 339 . 1 1 38 38 GLN H H 1 8.474 0.030 . 1 . . . . 38 GLN H . 11267 1 340 . 1 1 38 38 GLN HA H 1 5.237 0.030 . 1 . . . . 38 GLN HA . 11267 1 341 . 1 1 38 38 GLN HB2 H 1 2.096 0.030 . 2 . . . . 38 GLN HB2 . 11267 1 342 . 1 1 38 38 GLN HB3 H 1 1.862 0.030 . 2 . . . . 38 GLN HB3 . 11267 1 343 . 1 1 38 38 GLN HE21 H 1 6.918 0.030 . 2 . . . . 38 GLN HE21 . 11267 1 344 . 1 1 38 38 GLN HE22 H 1 7.408 0.030 . 2 . . . . 38 GLN HE22 . 11267 1 345 . 1 1 38 38 GLN HG2 H 1 2.238 0.030 . 2 . . . . 38 GLN HG2 . 11267 1 346 . 1 1 38 38 GLN HG3 H 1 2.160 0.030 . 2 . . . . 38 GLN HG3 . 11267 1 347 . 1 1 38 38 GLN C C 13 174.956 0.300 . 1 . . . . 38 GLN C . 11267 1 348 . 1 1 38 38 GLN CA C 13 55.240 0.300 . 1 . . . . 38 GLN CA . 11267 1 349 . 1 1 38 38 GLN CB C 13 31.245 0.300 . 1 . . . . 38 GLN CB . 11267 1 350 . 1 1 38 38 GLN CG C 13 34.683 0.300 . 1 . . . . 38 GLN CG . 11267 1 351 . 1 1 38 38 GLN N N 15 125.145 0.300 . 1 . . . . 38 GLN N . 11267 1 352 . 1 1 38 38 GLN NE2 N 15 111.668 0.300 . 1 . . . . 38 GLN NE2 . 11267 1 353 . 1 1 39 39 PHE H H 1 9.116 0.030 . 1 . . . . 39 PHE H . 11267 1 354 . 1 1 39 39 PHE HA H 1 4.723 0.030 . 1 . . . . 39 PHE HA . 11267 1 355 . 1 1 39 39 PHE HB2 H 1 2.566 0.030 . 2 . . . . 39 PHE HB2 . 11267 1 356 . 1 1 39 39 PHE HB3 H 1 2.995 0.030 . 2 . . . . 39 PHE HB3 . 11267 1 357 . 1 1 39 39 PHE HD1 H 1 7.237 0.030 . 1 . . . . 39 PHE HD1 . 11267 1 358 . 1 1 39 39 PHE HD2 H 1 7.237 0.030 . 1 . . . . 39 PHE HD2 . 11267 1 359 . 1 1 39 39 PHE HE1 H 1 7.109 0.030 . 1 . . . . 39 PHE HE1 . 11267 1 360 . 1 1 39 39 PHE HE2 H 1 7.109 0.030 . 1 . . . . 39 PHE HE2 . 11267 1 361 . 1 1 39 39 PHE HZ H 1 7.272 0.030 . 1 . . . . 39 PHE HZ . 11267 1 362 . 1 1 39 39 PHE C C 13 173.648 0.300 . 1 . . . . 39 PHE C . 11267 1 363 . 1 1 39 39 PHE CA C 13 57.434 0.300 . 1 . . . . 39 PHE CA . 11267 1 364 . 1 1 39 39 PHE CB C 13 44.862 0.300 . 1 . . . . 39 PHE CB . 11267 1 365 . 1 1 39 39 PHE CD1 C 13 132.218 0.300 . 1 . . . . 39 PHE CD1 . 11267 1 366 . 1 1 39 39 PHE CD2 C 13 132.218 0.300 . 1 . . . . 39 PHE CD2 . 11267 1 367 . 1 1 39 39 PHE CE1 C 13 128.347 0.300 . 1 . . . . 39 PHE CE1 . 11267 1 368 . 1 1 39 39 PHE CE2 C 13 128.347 0.300 . 1 . . . . 39 PHE CE2 . 11267 1 369 . 1 1 39 39 PHE CZ C 13 130.919 0.300 . 1 . . . . 39 PHE CZ . 11267 1 370 . 1 1 39 39 PHE N N 15 121.106 0.300 . 1 . . . . 39 PHE N . 11267 1 371 . 1 1 40 40 LYS H H 1 8.460 0.030 . 1 . . . . 40 LYS H . 11267 1 372 . 1 1 40 40 LYS HA H 1 5.366 0.030 . 1 . . . . 40 LYS HA . 11267 1 373 . 1 1 40 40 LYS HB2 H 1 1.600 0.030 . 2 . . . . 40 LYS HB2 . 11267 1 374 . 1 1 40 40 LYS HB3 H 1 1.665 0.030 . 2 . . . . 40 LYS HB3 . 11267 1 375 . 1 1 40 40 LYS HD2 H 1 1.440 0.030 . 1 . . . . 40 LYS HD2 . 11267 1 376 . 1 1 40 40 LYS HD3 H 1 1.440 0.030 . 1 . . . . 40 LYS HD3 . 11267 1 377 . 1 1 40 40 LYS HE2 H 1 2.664 0.030 . 1 . . . . 40 LYS HE2 . 11267 1 378 . 1 1 40 40 LYS HE3 H 1 2.664 0.030 . 1 . . . . 40 LYS HE3 . 11267 1 379 . 1 1 40 40 LYS HG2 H 1 1.195 0.030 . 2 . . . . 40 LYS HG2 . 11267 1 380 . 1 1 40 40 LYS HG3 H 1 1.308 0.030 . 2 . . . . 40 LYS HG3 . 11267 1 381 . 1 1 40 40 LYS C C 13 176.252 0.300 . 1 . . . . 40 LYS C . 11267 1 382 . 1 1 40 40 LYS CA C 13 55.442 0.300 . 1 . . . . 40 LYS CA . 11267 1 383 . 1 1 40 40 LYS CB C 13 34.035 0.300 . 1 . . . . 40 LYS CB . 11267 1 384 . 1 1 40 40 LYS CD C 13 29.250 0.300 . 1 . . . . 40 LYS CD . 11267 1 385 . 1 1 40 40 LYS CE C 13 41.670 0.300 . 1 . . . . 40 LYS CE . 11267 1 386 . 1 1 40 40 LYS CG C 13 25.003 0.300 . 1 . . . . 40 LYS CG . 11267 1 387 . 1 1 40 40 LYS N N 15 122.834 0.300 . 1 . . . . 40 LYS N . 11267 1 388 . 1 1 41 41 ILE H H 1 8.989 0.030 . 1 . . . . 41 ILE H . 11267 1 389 . 1 1 41 41 ILE HA H 1 4.880 0.030 . 1 . . . . 41 ILE HA . 11267 1 390 . 1 1 41 41 ILE HB H 1 1.839 0.030 . 1 . . . . 41 ILE HB . 11267 1 391 . 1 1 41 41 ILE HD11 H 1 0.744 0.030 . 1 . . . . 41 ILE HD1 . 11267 1 392 . 1 1 41 41 ILE HD12 H 1 0.744 0.030 . 1 . . . . 41 ILE HD1 . 11267 1 393 . 1 1 41 41 ILE HD13 H 1 0.744 0.030 . 1 . . . . 41 ILE HD1 . 11267 1 394 . 1 1 41 41 ILE HG12 H 1 1.502 0.030 . 2 . . . . 41 ILE HG12 . 11267 1 395 . 1 1 41 41 ILE HG13 H 1 1.342 0.030 . 2 . . . . 41 ILE HG13 . 11267 1 396 . 1 1 41 41 ILE HG21 H 1 0.819 0.030 . 1 . . . . 41 ILE HG2 . 11267 1 397 . 1 1 41 41 ILE HG22 H 1 0.819 0.030 . 1 . . . . 41 ILE HG2 . 11267 1 398 . 1 1 41 41 ILE HG23 H 1 0.819 0.030 . 1 . . . . 41 ILE HG2 . 11267 1 399 . 1 1 41 41 ILE C C 13 173.600 0.300 . 1 . . . . 41 ILE C . 11267 1 400 . 1 1 41 41 ILE CA C 13 59.406 0.300 . 1 . . . . 41 ILE CA . 11267 1 401 . 1 1 41 41 ILE CB C 13 42.419 0.300 . 1 . . . . 41 ILE CB . 11267 1 402 . 1 1 41 41 ILE CD1 C 13 14.527 0.300 . 1 . . . . 41 ILE CD1 . 11267 1 403 . 1 1 41 41 ILE CG1 C 13 26.713 0.300 . 1 . . . . 41 ILE CG1 . 11267 1 404 . 1 1 41 41 ILE CG2 C 13 16.569 0.300 . 1 . . . . 41 ILE CG2 . 11267 1 405 . 1 1 41 41 ILE N N 15 122.558 0.300 . 1 . . . . 41 ILE N . 11267 1 406 . 1 1 42 42 LYS H H 1 8.255 0.030 . 1 . . . . 42 LYS H . 11267 1 407 . 1 1 42 42 LYS HA H 1 4.499 0.030 . 1 . . . . 42 LYS HA . 11267 1 408 . 1 1 42 42 LYS HB2 H 1 1.787 0.030 . 2 . . . . 42 LYS HB2 . 11267 1 409 . 1 1 42 42 LYS HB3 H 1 1.849 0.030 . 2 . . . . 42 LYS HB3 . 11267 1 410 . 1 1 42 42 LYS HD2 H 1 1.555 0.030 . 1 . . . . 42 LYS HD2 . 11267 1 411 . 1 1 42 42 LYS HD3 H 1 1.555 0.030 . 1 . . . . 42 LYS HD3 . 11267 1 412 . 1 1 42 42 LYS HE2 H 1 2.884 0.030 . 2 . . . . 42 LYS HE2 . 11267 1 413 . 1 1 42 42 LYS HE3 H 1 2.917 0.030 . 2 . . . . 42 LYS HE3 . 11267 1 414 . 1 1 42 42 LYS HG2 H 1 1.238 0.030 . 2 . . . . 42 LYS HG2 . 11267 1 415 . 1 1 42 42 LYS HG3 H 1 0.784 0.030 . 2 . . . . 42 LYS HG3 . 11267 1 416 . 1 1 42 42 LYS C C 13 178.541 0.300 . 1 . . . . 42 LYS C . 11267 1 417 . 1 1 42 42 LYS CA C 13 56.944 0.300 . 1 . . . . 42 LYS CA . 11267 1 418 . 1 1 42 42 LYS CB C 13 32.378 0.300 . 1 . . . . 42 LYS CB . 11267 1 419 . 1 1 42 42 LYS CD C 13 29.415 0.300 . 1 . . . . 42 LYS CD . 11267 1 420 . 1 1 42 42 LYS CE C 13 42.122 0.300 . 1 . . . . 42 LYS CE . 11267 1 421 . 1 1 42 42 LYS CG C 13 26.033 0.300 . 1 . . . . 42 LYS CG . 11267 1 422 . 1 1 42 42 LYS N N 15 123.923 0.300 . 1 . . . . 42 LYS N . 11267 1 423 . 1 1 43 43 ARG H H 1 8.166 0.030 . 1 . . . . 43 ARG H . 11267 1 424 . 1 1 43 43 ARG HA H 1 3.637 0.030 . 1 . . . . 43 ARG HA . 11267 1 425 . 1 1 43 43 ARG HB2 H 1 1.303 0.030 . 2 . . . . 43 ARG HB2 . 11267 1 426 . 1 1 43 43 ARG HB3 H 1 1.510 0.030 . 2 . . . . 43 ARG HB3 . 11267 1 427 . 1 1 43 43 ARG HD2 H 1 3.202 0.030 . 2 . . . . 43 ARG HD2 . 11267 1 428 . 1 1 43 43 ARG HD3 H 1 3.299 0.030 . 2 . . . . 43 ARG HD3 . 11267 1 429 . 1 1 43 43 ARG HG2 H 1 1.601 0.030 . 2 . . . . 43 ARG HG2 . 11267 1 430 . 1 1 43 43 ARG HG3 H 1 1.511 0.030 . 2 . . . . 43 ARG HG3 . 11267 1 431 . 1 1 43 43 ARG C C 13 175.683 0.300 . 1 . . . . 43 ARG C . 11267 1 432 . 1 1 43 43 ARG CA C 13 59.803 0.300 . 1 . . . . 43 ARG CA . 11267 1 433 . 1 1 43 43 ARG CB C 13 29.886 0.300 . 1 . . . . 43 ARG CB . 11267 1 434 . 1 1 43 43 ARG CD C 13 43.068 0.300 . 1 . . . . 43 ARG CD . 11267 1 435 . 1 1 43 43 ARG CG C 13 30.378 0.300 . 1 . . . . 43 ARG CG . 11267 1 436 . 1 1 43 43 ARG N N 15 118.045 0.300 . 1 . . . . 43 ARG N . 11267 1 437 . 1 1 44 44 HIS H H 1 7.745 0.030 . 1 . . . . 44 HIS H . 11267 1 438 . 1 1 44 44 HIS HA H 1 4.836 0.030 . 1 . . . . 44 HIS HA . 11267 1 439 . 1 1 44 44 HIS HB2 H 1 3.373 0.030 . 2 . . . . 44 HIS HB2 . 11267 1 440 . 1 1 44 44 HIS HB3 H 1 2.933 0.030 . 2 . . . . 44 HIS HB3 . 11267 1 441 . 1 1 44 44 HIS HD2 H 1 6.982 0.030 . 1 . . . . 44 HIS HD2 . 11267 1 442 . 1 1 44 44 HIS HE1 H 1 7.689 0.030 . 1 . . . . 44 HIS HE1 . 11267 1 443 . 1 1 44 44 HIS C C 13 174.944 0.300 . 1 . . . . 44 HIS C . 11267 1 444 . 1 1 44 44 HIS CA C 13 55.283 0.300 . 1 . . . . 44 HIS CA . 11267 1 445 . 1 1 44 44 HIS CB C 13 29.996 0.300 . 1 . . . . 44 HIS CB . 11267 1 446 . 1 1 44 44 HIS CD2 C 13 119.121 0.300 . 1 . . . . 44 HIS CD2 . 11267 1 447 . 1 1 44 44 HIS CE1 C 13 138.420 0.300 . 1 . . . . 44 HIS CE1 . 11267 1 448 . 1 1 44 44 HIS N N 15 111.663 0.300 . 1 . . . . 44 HIS N . 11267 1 449 . 1 1 45 45 THR H H 1 7.430 0.030 . 1 . . . . 45 THR H . 11267 1 450 . 1 1 45 45 THR HA H 1 4.578 0.030 . 1 . . . . 45 THR HA . 11267 1 451 . 1 1 45 45 THR HB H 1 4.125 0.030 . 1 . . . . 45 THR HB . 11267 1 452 . 1 1 45 45 THR HG21 H 1 1.444 0.030 . 1 . . . . 45 THR HG2 . 11267 1 453 . 1 1 45 45 THR HG22 H 1 1.444 0.030 . 1 . . . . 45 THR HG2 . 11267 1 454 . 1 1 45 45 THR HG23 H 1 1.444 0.030 . 1 . . . . 45 THR HG2 . 11267 1 455 . 1 1 45 45 THR C C 13 170.915 0.300 . 1 . . . . 45 THR C . 11267 1 456 . 1 1 45 45 THR CA C 13 60.624 0.300 . 1 . . . . 45 THR CA . 11267 1 457 . 1 1 45 45 THR CB C 13 70.743 0.300 . 1 . . . . 45 THR CB . 11267 1 458 . 1 1 45 45 THR CG2 C 13 21.731 0.300 . 1 . . . . 45 THR CG2 . 11267 1 459 . 1 1 45 45 THR N N 15 121.411 0.300 . 1 . . . . 45 THR N . 11267 1 460 . 1 1 46 46 PRO HA H 1 4.283 0.030 . 1 . . . . 46 PRO HA . 11267 1 461 . 1 1 46 46 PRO HB2 H 1 2.333 0.030 . 2 . . . . 46 PRO HB2 . 11267 1 462 . 1 1 46 46 PRO HB3 H 1 2.093 0.030 . 2 . . . . 46 PRO HB3 . 11267 1 463 . 1 1 46 46 PRO HD2 H 1 4.012 0.030 . 2 . . . . 46 PRO HD2 . 11267 1 464 . 1 1 46 46 PRO HD3 H 1 3.771 0.030 . 2 . . . . 46 PRO HD3 . 11267 1 465 . 1 1 46 46 PRO HG2 H 1 1.971 0.030 . 2 . . . . 46 PRO HG2 . 11267 1 466 . 1 1 46 46 PRO HG3 H 1 2.144 0.030 . 2 . . . . 46 PRO HG3 . 11267 1 467 . 1 1 46 46 PRO C C 13 178.461 0.300 . 1 . . . . 46 PRO C . 11267 1 468 . 1 1 46 46 PRO CA C 13 62.788 0.300 . 1 . . . . 46 PRO CA . 11267 1 469 . 1 1 46 46 PRO CB C 13 32.277 0.300 . 1 . . . . 46 PRO CB . 11267 1 470 . 1 1 46 46 PRO CD C 13 51.129 0.300 . 1 . . . . 46 PRO CD . 11267 1 471 . 1 1 46 46 PRO CG C 13 28.068 0.300 . 1 . . . . 46 PRO CG . 11267 1 472 . 1 1 47 47 LEU H H 1 9.076 0.030 . 1 . . . . 47 LEU H . 11267 1 473 . 1 1 47 47 LEU HA H 1 3.800 0.030 . 1 . . . . 47 LEU HA . 11267 1 474 . 1 1 47 47 LEU HB2 H 1 1.728 0.030 . 2 . . . . 47 LEU HB2 . 11267 1 475 . 1 1 47 47 LEU HB3 H 1 1.083 0.030 . 2 . . . . 47 LEU HB3 . 11267 1 476 . 1 1 47 47 LEU HD11 H 1 0.590 0.030 . 1 . . . . 47 LEU HD1 . 11267 1 477 . 1 1 47 47 LEU HD12 H 1 0.590 0.030 . 1 . . . . 47 LEU HD1 . 11267 1 478 . 1 1 47 47 LEU HD13 H 1 0.590 0.030 . 1 . . . . 47 LEU HD1 . 11267 1 479 . 1 1 47 47 LEU HD21 H 1 0.632 0.030 . 1 . . . . 47 LEU HD2 . 11267 1 480 . 1 1 47 47 LEU HD22 H 1 0.632 0.030 . 1 . . . . 47 LEU HD2 . 11267 1 481 . 1 1 47 47 LEU HD23 H 1 0.632 0.030 . 1 . . . . 47 LEU HD2 . 11267 1 482 . 1 1 47 47 LEU HG H 1 1.521 0.030 . 1 . . . . 47 LEU HG . 11267 1 483 . 1 1 47 47 LEU C C 13 177.512 0.300 . 1 . . . . 47 LEU C . 11267 1 484 . 1 1 47 47 LEU CA C 13 57.530 0.300 . 1 . . . . 47 LEU CA . 11267 1 485 . 1 1 47 47 LEU CB C 13 41.669 0.300 . 1 . . . . 47 LEU CB . 11267 1 486 . 1 1 47 47 LEU CD1 C 13 26.627 0.300 . 2 . . . . 47 LEU CD1 . 11267 1 487 . 1 1 47 47 LEU CD2 C 13 24.660 0.300 . 2 . . . . 47 LEU CD2 . 11267 1 488 . 1 1 47 47 LEU CG C 13 29.168 0.300 . 1 . . . . 47 LEU CG . 11267 1 489 . 1 1 47 47 LEU N N 15 122.650 0.300 . 1 . . . . 47 LEU N . 11267 1 490 . 1 1 48 48 SER H H 1 8.400 0.030 . 1 . . . . 48 SER H . 11267 1 491 . 1 1 48 48 SER HA H 1 3.968 0.030 . 1 . . . . 48 SER HA . 11267 1 492 . 1 1 48 48 SER C C 13 176.064 0.300 . 1 . . . . 48 SER C . 11267 1 493 . 1 1 48 48 SER CA C 13 62.167 0.300 . 1 . . . . 48 SER CA . 11267 1 494 . 1 1 48 48 SER N N 15 115.725 0.300 . 1 . . . . 48 SER N . 11267 1 495 . 1 1 49 49 LYS H H 1 7.732 0.030 . 1 . . . . 49 LYS H . 11267 1 496 . 1 1 49 49 LYS HA H 1 3.993 0.030 . 1 . . . . 49 LYS HA . 11267 1 497 . 1 1 49 49 LYS HB2 H 1 1.932 0.030 . 2 . . . . 49 LYS HB2 . 11267 1 498 . 1 1 49 49 LYS HB3 H 1 1.781 0.030 . 2 . . . . 49 LYS HB3 . 11267 1 499 . 1 1 49 49 LYS HD2 H 1 1.738 0.030 . 1 . . . . 49 LYS HD2 . 11267 1 500 . 1 1 49 49 LYS HD3 H 1 1.738 0.030 . 1 . . . . 49 LYS HD3 . 11267 1 501 . 1 1 49 49 LYS HE2 H 1 3.063 0.030 . 1 . . . . 49 LYS HE2 . 11267 1 502 . 1 1 49 49 LYS HE3 H 1 3.063 0.030 . 1 . . . . 49 LYS HE3 . 11267 1 503 . 1 1 49 49 LYS HG2 H 1 1.456 0.030 . 2 . . . . 49 LYS HG2 . 11267 1 504 . 1 1 49 49 LYS HG3 H 1 1.570 0.030 . 2 . . . . 49 LYS HG3 . 11267 1 505 . 1 1 49 49 LYS C C 13 179.123 0.300 . 1 . . . . 49 LYS C . 11267 1 506 . 1 1 49 49 LYS CA C 13 59.724 0.300 . 1 . . . . 49 LYS CA . 11267 1 507 . 1 1 49 49 LYS CB C 13 32.319 0.300 . 1 . . . . 49 LYS CB . 11267 1 508 . 1 1 49 49 LYS CD C 13 29.250 0.300 . 1 . . . . 49 LYS CD . 11267 1 509 . 1 1 49 49 LYS CE C 13 42.410 0.300 . 1 . . . . 49 LYS CE . 11267 1 510 . 1 1 49 49 LYS CG C 13 25.354 0.300 . 1 . . . . 49 LYS CG . 11267 1 511 . 1 1 49 49 LYS N N 15 119.586 0.300 . 1 . . . . 49 LYS N . 11267 1 512 . 1 1 50 50 LEU H H 1 6.961 0.030 . 1 . . . . 50 LEU H . 11267 1 513 . 1 1 50 50 LEU HA H 1 3.621 0.030 . 1 . . . . 50 LEU HA . 11267 1 514 . 1 1 50 50 LEU HB2 H 1 1.372 0.030 . 2 . . . . 50 LEU HB2 . 11267 1 515 . 1 1 50 50 LEU HB3 H 1 1.459 0.030 . 2 . . . . 50 LEU HB3 . 11267 1 516 . 1 1 50 50 LEU HD11 H 1 0.205 0.030 . 1 . . . . 50 LEU HD1 . 11267 1 517 . 1 1 50 50 LEU HD12 H 1 0.205 0.030 . 1 . . . . 50 LEU HD1 . 11267 1 518 . 1 1 50 50 LEU HD13 H 1 0.205 0.030 . 1 . . . . 50 LEU HD1 . 11267 1 519 . 1 1 50 50 LEU HD21 H 1 0.405 0.030 . 1 . . . . 50 LEU HD2 . 11267 1 520 . 1 1 50 50 LEU HD22 H 1 0.405 0.030 . 1 . . . . 50 LEU HD2 . 11267 1 521 . 1 1 50 50 LEU HD23 H 1 0.405 0.030 . 1 . . . . 50 LEU HD2 . 11267 1 522 . 1 1 50 50 LEU HG H 1 0.710 0.030 . 1 . . . . 50 LEU HG . 11267 1 523 . 1 1 50 50 LEU C C 13 177.388 0.300 . 1 . . . . 50 LEU C . 11267 1 524 . 1 1 50 50 LEU CA C 13 57.952 0.300 . 1 . . . . 50 LEU CA . 11267 1 525 . 1 1 50 50 LEU CB C 13 42.221 0.300 . 1 . . . . 50 LEU CB . 11267 1 526 . 1 1 50 50 LEU CD1 C 13 24.143 0.300 . 2 . . . . 50 LEU CD1 . 11267 1 527 . 1 1 50 50 LEU CD2 C 13 27.393 0.300 . 2 . . . . 50 LEU CD2 . 11267 1 528 . 1 1 50 50 LEU CG C 13 26.487 0.300 . 1 . . . . 50 LEU CG . 11267 1 529 . 1 1 50 50 LEU N N 15 121.884 0.300 . 1 . . . . 50 LEU N . 11267 1 530 . 1 1 51 51 MET H H 1 8.268 0.030 . 1 . . . . 51 MET H . 11267 1 531 . 1 1 51 51 MET HA H 1 3.304 0.030 . 1 . . . . 51 MET HA . 11267 1 532 . 1 1 51 51 MET HB2 H 1 1.710 0.030 . 1 . . . . 51 MET HB2 . 11267 1 533 . 1 1 51 51 MET HB3 H 1 1.710 0.030 . 1 . . . . 51 MET HB3 . 11267 1 534 . 1 1 51 51 MET HE1 H 1 1.517 0.030 . 1 . . . . 51 MET HE . 11267 1 535 . 1 1 51 51 MET HE2 H 1 1.517 0.030 . 1 . . . . 51 MET HE . 11267 1 536 . 1 1 51 51 MET HE3 H 1 1.517 0.030 . 1 . . . . 51 MET HE . 11267 1 537 . 1 1 51 51 MET HG2 H 1 0.303 0.030 . 2 . . . . 51 MET HG2 . 11267 1 538 . 1 1 51 51 MET HG3 H 1 1.891 0.030 . 2 . . . . 51 MET HG3 . 11267 1 539 . 1 1 51 51 MET C C 13 177.935 0.300 . 1 . . . . 51 MET C . 11267 1 540 . 1 1 51 51 MET CA C 13 59.656 0.300 . 1 . . . . 51 MET CA . 11267 1 541 . 1 1 51 51 MET CB C 13 32.891 0.300 . 1 . . . . 51 MET CB . 11267 1 542 . 1 1 51 51 MET CE C 13 17.633 0.300 . 1 . . . . 51 MET CE . 11267 1 543 . 1 1 51 51 MET CG C 13 31.472 0.300 . 1 . . . . 51 MET CG . 11267 1 544 . 1 1 51 51 MET N N 15 119.105 0.300 . 1 . . . . 51 MET N . 11267 1 545 . 1 1 52 52 LYS H H 1 8.276 0.030 . 1 . . . . 52 LYS H . 11267 1 546 . 1 1 52 52 LYS HA H 1 4.021 0.030 . 1 . . . . 52 LYS HA . 11267 1 547 . 1 1 52 52 LYS HB2 H 1 1.876 0.030 . 1 . . . . 52 LYS HB2 . 11267 1 548 . 1 1 52 52 LYS HB3 H 1 1.876 0.030 . 1 . . . . 52 LYS HB3 . 11267 1 549 . 1 1 52 52 LYS HD2 H 1 1.694 0.030 . 1 . . . . 52 LYS HD2 . 11267 1 550 . 1 1 52 52 LYS HD3 H 1 1.694 0.030 . 1 . . . . 52 LYS HD3 . 11267 1 551 . 1 1 52 52 LYS HE2 H 1 2.978 0.030 . 1 . . . . 52 LYS HE2 . 11267 1 552 . 1 1 52 52 LYS HE3 H 1 2.978 0.030 . 1 . . . . 52 LYS HE3 . 11267 1 553 . 1 1 52 52 LYS HG2 H 1 1.441 0.030 . 2 . . . . 52 LYS HG2 . 11267 1 554 . 1 1 52 52 LYS HG3 H 1 1.600 0.030 . 2 . . . . 52 LYS HG3 . 11267 1 555 . 1 1 52 52 LYS C C 13 178.759 0.300 . 1 . . . . 52 LYS C . 11267 1 556 . 1 1 52 52 LYS CA C 13 59.944 0.300 . 1 . . . . 52 LYS CA . 11267 1 557 . 1 1 52 52 LYS CB C 13 32.728 0.300 . 1 . . . . 52 LYS CB . 11267 1 558 . 1 1 52 52 LYS CD C 13 29.432 0.300 . 1 . . . . 52 LYS CD . 11267 1 559 . 1 1 52 52 LYS CE C 13 42.246 0.300 . 1 . . . . 52 LYS CE . 11267 1 560 . 1 1 52 52 LYS CG C 13 25.807 0.300 . 1 . . . . 52 LYS CG . 11267 1 561 . 1 1 52 52 LYS N N 15 118.577 0.300 . 1 . . . . 52 LYS N . 11267 1 562 . 1 1 53 53 ALA H H 1 7.516 0.030 . 1 . . . . 53 ALA H . 11267 1 563 . 1 1 53 53 ALA HA H 1 4.272 0.030 . 1 . . . . 53 ALA HA . 11267 1 564 . 1 1 53 53 ALA HB1 H 1 1.556 0.030 . 1 . . . . 53 ALA HB . 11267 1 565 . 1 1 53 53 ALA HB2 H 1 1.556 0.030 . 1 . . . . 53 ALA HB . 11267 1 566 . 1 1 53 53 ALA HB3 H 1 1.556 0.030 . 1 . . . . 53 ALA HB . 11267 1 567 . 1 1 53 53 ALA C C 13 180.806 0.300 . 1 . . . . 53 ALA C . 11267 1 568 . 1 1 53 53 ALA CA C 13 55.119 0.300 . 1 . . . . 53 ALA CA . 11267 1 569 . 1 1 53 53 ALA CB C 13 18.551 0.300 . 1 . . . . 53 ALA CB . 11267 1 570 . 1 1 53 53 ALA N N 15 121.660 0.300 . 1 . . . . 53 ALA N . 11267 1 571 . 1 1 54 54 TYR H H 1 8.843 0.030 . 1 . . . . 54 TYR H . 11267 1 572 . 1 1 54 54 TYR HA H 1 4.124 0.030 . 1 . . . . 54 TYR HA . 11267 1 573 . 1 1 54 54 TYR HB2 H 1 3.309 0.030 . 2 . . . . 54 TYR HB2 . 11267 1 574 . 1 1 54 54 TYR HB3 H 1 3.061 0.030 . 2 . . . . 54 TYR HB3 . 11267 1 575 . 1 1 54 54 TYR HD1 H 1 7.124 0.030 . 1 . . . . 54 TYR HD1 . 11267 1 576 . 1 1 54 54 TYR HD2 H 1 7.124 0.030 . 1 . . . . 54 TYR HD2 . 11267 1 577 . 1 1 54 54 TYR HE1 H 1 6.685 0.030 . 1 . . . . 54 TYR HE1 . 11267 1 578 . 1 1 54 54 TYR HE2 H 1 6.685 0.030 . 1 . . . . 54 TYR HE2 . 11267 1 579 . 1 1 54 54 TYR C C 13 177.064 0.300 . 1 . . . . 54 TYR C . 11267 1 580 . 1 1 54 54 TYR CA C 13 63.147 0.300 . 1 . . . . 54 TYR CA . 11267 1 581 . 1 1 54 54 TYR CB C 13 38.374 0.300 . 1 . . . . 54 TYR CB . 11267 1 582 . 1 1 54 54 TYR CD1 C 13 132.016 0.300 . 1 . . . . 54 TYR CD1 . 11267 1 583 . 1 1 54 54 TYR CD2 C 13 132.016 0.300 . 1 . . . . 54 TYR CD2 . 11267 1 584 . 1 1 54 54 TYR CE1 C 13 118.749 0.300 . 1 . . . . 54 TYR CE1 . 11267 1 585 . 1 1 54 54 TYR CE2 C 13 118.749 0.300 . 1 . . . . 54 TYR CE2 . 11267 1 586 . 1 1 54 54 TYR N N 15 120.102 0.300 . 1 . . . . 54 TYR N . 11267 1 587 . 1 1 55 55 CYS H H 1 8.390 0.030 . 1 . . . . 55 CYS H . 11267 1 588 . 1 1 55 55 CYS HA H 1 3.802 0.030 . 1 . . . . 55 CYS HA . 11267 1 589 . 1 1 55 55 CYS HB2 H 1 3.119 0.030 . 2 . . . . 55 CYS HB2 . 11267 1 590 . 1 1 55 55 CYS HB3 H 1 3.217 0.030 . 2 . . . . 55 CYS HB3 . 11267 1 591 . 1 1 55 55 CYS C C 13 177.343 0.300 . 1 . . . . 55 CYS C . 11267 1 592 . 1 1 55 55 CYS CA C 13 65.808 0.300 . 1 . . . . 55 CYS CA . 11267 1 593 . 1 1 55 55 CYS CB C 13 26.227 0.300 . 1 . . . . 55 CYS CB . 11267 1 594 . 1 1 55 55 CYS N N 15 117.069 0.300 . 1 . . . . 55 CYS N . 11267 1 595 . 1 1 56 56 GLU H H 1 8.340 0.030 . 1 . . . . 56 GLU H . 11267 1 596 . 1 1 56 56 GLU HA H 1 4.108 0.030 . 1 . . . . 56 GLU HA . 11267 1 597 . 1 1 56 56 GLU HB2 H 1 2.193 0.030 . 2 . . . . 56 GLU HB2 . 11267 1 598 . 1 1 56 56 GLU HB3 H 1 2.110 0.030 . 2 . . . . 56 GLU HB3 . 11267 1 599 . 1 1 56 56 GLU HG2 H 1 2.297 0.030 . 2 . . . . 56 GLU HG2 . 11267 1 600 . 1 1 56 56 GLU HG3 H 1 2.475 0.030 . 2 . . . . 56 GLU HG3 . 11267 1 601 . 1 1 56 56 GLU C C 13 179.329 0.300 . 1 . . . . 56 GLU C . 11267 1 602 . 1 1 56 56 GLU CA C 13 59.304 0.300 . 1 . . . . 56 GLU CA . 11267 1 603 . 1 1 56 56 GLU CB C 13 29.638 0.300 . 1 . . . . 56 GLU CB . 11267 1 604 . 1 1 56 56 GLU CG C 13 36.457 0.300 . 1 . . . . 56 GLU CG . 11267 1 605 . 1 1 56 56 GLU N N 15 118.832 0.300 . 1 . . . . 56 GLU N . 11267 1 606 . 1 1 57 57 ARG H H 1 8.022 0.030 . 1 . . . . 57 ARG H . 11267 1 607 . 1 1 57 57 ARG HA H 1 4.112 0.030 . 1 . . . . 57 ARG HA . 11267 1 608 . 1 1 57 57 ARG HB2 H 1 1.968 0.030 . 2 . . . . 57 ARG HB2 . 11267 1 609 . 1 1 57 57 ARG HB3 H 1 2.048 0.030 . 2 . . . . 57 ARG HB3 . 11267 1 610 . 1 1 57 57 ARG HD2 H 1 3.178 0.030 . 2 . . . . 57 ARG HD2 . 11267 1 611 . 1 1 57 57 ARG HD3 H 1 3.229 0.030 . 2 . . . . 57 ARG HD3 . 11267 1 612 . 1 1 57 57 ARG HG2 H 1 1.818 0.030 . 1 . . . . 57 ARG HG2 . 11267 1 613 . 1 1 57 57 ARG HG3 H 1 1.818 0.030 . 1 . . . . 57 ARG HG3 . 11267 1 614 . 1 1 57 57 ARG C C 13 178.141 0.300 . 1 . . . . 57 ARG C . 11267 1 615 . 1 1 57 57 ARG CA C 13 58.659 0.300 . 1 . . . . 57 ARG CA . 11267 1 616 . 1 1 57 57 ARG CB C 13 30.187 0.300 . 1 . . . . 57 ARG CB . 11267 1 617 . 1 1 57 57 ARG CD C 13 43.644 0.300 . 1 . . . . 57 ARG CD . 11267 1 618 . 1 1 57 57 ARG CG C 13 26.947 0.300 . 1 . . . . 57 ARG CG . 11267 1 619 . 1 1 57 57 ARG N N 15 119.558 0.300 . 1 . . . . 57 ARG N . 11267 1 620 . 1 1 58 58 GLN H H 1 7.769 0.030 . 1 . . . . 58 GLN H . 11267 1 621 . 1 1 58 58 GLN HA H 1 4.302 0.030 . 1 . . . . 58 GLN HA . 11267 1 622 . 1 1 58 58 GLN HB2 H 1 1.396 0.030 . 2 . . . . 58 GLN HB2 . 11267 1 623 . 1 1 58 58 GLN HB3 H 1 2.036 0.030 . 2 . . . . 58 GLN HB3 . 11267 1 624 . 1 1 58 58 GLN HE21 H 1 6.721 0.030 . 2 . . . . 58 GLN HE21 . 11267 1 625 . 1 1 58 58 GLN HE22 H 1 6.791 0.030 . 2 . . . . 58 GLN HE22 . 11267 1 626 . 1 1 58 58 GLN HG2 H 1 1.704 0.030 . 1 . . . . 58 GLN HG2 . 11267 1 627 . 1 1 58 58 GLN HG3 H 1 1.704 0.030 . 1 . . . . 58 GLN HG3 . 11267 1 628 . 1 1 58 58 GLN C C 13 176.240 0.300 . 1 . . . . 58 GLN C . 11267 1 629 . 1 1 58 58 GLN CA C 13 54.719 0.300 . 1 . . . . 58 GLN CA . 11267 1 630 . 1 1 58 58 GLN CB C 13 30.521 0.300 . 1 . . . . 58 GLN CB . 11267 1 631 . 1 1 58 58 GLN CG C 13 33.527 0.300 . 1 . . . . 58 GLN CG . 11267 1 632 . 1 1 58 58 GLN N N 15 112.660 0.300 . 1 . . . . 58 GLN N . 11267 1 633 . 1 1 58 58 GLN NE2 N 15 109.301 0.300 . 1 . . . . 58 GLN NE2 . 11267 1 634 . 1 1 59 59 GLY H H 1 7.748 0.030 . 1 . . . . 59 GLY H . 11267 1 635 . 1 1 59 59 GLY HA2 H 1 3.942 0.030 . 1 . . . . 59 GLY HA2 . 11267 1 636 . 1 1 59 59 GLY HA3 H 1 3.942 0.030 . 1 . . . . 59 GLY HA3 . 11267 1 637 . 1 1 59 59 GLY C C 13 174.653 0.300 . 1 . . . . 59 GLY C . 11267 1 638 . 1 1 59 59 GLY CA C 13 46.814 0.300 . 1 . . . . 59 GLY CA . 11267 1 639 . 1 1 59 59 GLY N N 15 109.842 0.300 . 1 . . . . 59 GLY N . 11267 1 640 . 1 1 60 60 LEU H H 1 8.073 0.030 . 1 . . . . 60 LEU H . 11267 1 641 . 1 1 60 60 LEU HA H 1 4.687 0.030 . 1 . . . . 60 LEU HA . 11267 1 642 . 1 1 60 60 LEU HB2 H 1 1.427 0.030 . 2 . . . . 60 LEU HB2 . 11267 1 643 . 1 1 60 60 LEU HB3 H 1 1.513 0.030 . 2 . . . . 60 LEU HB3 . 11267 1 644 . 1 1 60 60 LEU HD11 H 1 0.875 0.030 . 1 . . . . 60 LEU HD1 . 11267 1 645 . 1 1 60 60 LEU HD12 H 1 0.875 0.030 . 1 . . . . 60 LEU HD1 . 11267 1 646 . 1 1 60 60 LEU HD13 H 1 0.875 0.030 . 1 . . . . 60 LEU HD1 . 11267 1 647 . 1 1 60 60 LEU HD21 H 1 0.847 0.030 . 1 . . . . 60 LEU HD2 . 11267 1 648 . 1 1 60 60 LEU HD22 H 1 0.847 0.030 . 1 . . . . 60 LEU HD2 . 11267 1 649 . 1 1 60 60 LEU HD23 H 1 0.847 0.030 . 1 . . . . 60 LEU HD2 . 11267 1 650 . 1 1 60 60 LEU HG H 1 1.407 0.030 . 1 . . . . 60 LEU HG . 11267 1 651 . 1 1 60 60 LEU C C 13 175.937 0.300 . 1 . . . . 60 LEU C . 11267 1 652 . 1 1 60 60 LEU CA C 13 53.027 0.300 . 1 . . . . 60 LEU CA . 11267 1 653 . 1 1 60 60 LEU CB C 13 45.965 0.300 . 1 . . . . 60 LEU CB . 11267 1 654 . 1 1 60 60 LEU CD1 C 13 26.260 0.300 . 2 . . . . 60 LEU CD1 . 11267 1 655 . 1 1 60 60 LEU CD2 C 13 22.571 0.300 . 2 . . . . 60 LEU CD2 . 11267 1 656 . 1 1 60 60 LEU CG C 13 26.454 0.300 . 1 . . . . 60 LEU CG . 11267 1 657 . 1 1 60 60 LEU N N 15 119.086 0.300 . 1 . . . . 60 LEU N . 11267 1 658 . 1 1 61 61 SER H H 1 8.507 0.030 . 1 . . . . 61 SER H . 11267 1 659 . 1 1 61 61 SER HA H 1 4.744 0.030 . 1 . . . . 61 SER HA . 11267 1 660 . 1 1 61 61 SER HB2 H 1 3.826 0.030 . 2 . . . . 61 SER HB2 . 11267 1 661 . 1 1 61 61 SER HB3 H 1 3.994 0.030 . 2 . . . . 61 SER HB3 . 11267 1 662 . 1 1 61 61 SER C C 13 175.913 0.300 . 1 . . . . 61 SER C . 11267 1 663 . 1 1 61 61 SER CA C 13 56.467 0.300 . 1 . . . . 61 SER CA . 11267 1 664 . 1 1 61 61 SER CB C 13 64.508 0.300 . 1 . . . . 61 SER CB . 11267 1 665 . 1 1 61 61 SER N N 15 114.627 0.300 . 1 . . . . 61 SER N . 11267 1 666 . 1 1 62 62 MET H H 1 8.981 0.030 . 1 . . . . 62 MET H . 11267 1 667 . 1 1 62 62 MET HA H 1 4.358 0.030 . 1 . . . . 62 MET HA . 11267 1 668 . 1 1 62 62 MET HB2 H 1 2.182 0.030 . 1 . . . . 62 MET HB2 . 11267 1 669 . 1 1 62 62 MET HB3 H 1 2.182 0.030 . 1 . . . . 62 MET HB3 . 11267 1 670 . 1 1 62 62 MET HE1 H 1 2.116 0.030 . 1 . . . . 62 MET HE . 11267 1 671 . 1 1 62 62 MET HE2 H 1 2.116 0.030 . 1 . . . . 62 MET HE . 11267 1 672 . 1 1 62 62 MET HE3 H 1 2.116 0.030 . 1 . . . . 62 MET HE . 11267 1 673 . 1 1 62 62 MET HG2 H 1 2.769 0.030 . 1 . . . . 62 MET HG2 . 11267 1 674 . 1 1 62 62 MET HG3 H 1 2.769 0.030 . 1 . . . . 62 MET HG3 . 11267 1 675 . 1 1 62 62 MET C C 13 177.499 0.300 . 1 . . . . 62 MET C . 11267 1 676 . 1 1 62 62 MET CA C 13 57.977 0.300 . 1 . . . . 62 MET CA . 11267 1 677 . 1 1 62 62 MET CB C 13 32.791 0.300 . 1 . . . . 62 MET CB . 11267 1 678 . 1 1 62 62 MET CE C 13 17.114 0.300 . 1 . . . . 62 MET CE . 11267 1 679 . 1 1 62 62 MET CG C 13 33.040 0.300 . 1 . . . . 62 MET CG . 11267 1 680 . 1 1 62 62 MET N N 15 126.285 0.300 . 1 . . . . 62 MET N . 11267 1 681 . 1 1 63 63 ARG H H 1 8.031 0.030 . 1 . . . . 63 ARG H . 11267 1 682 . 1 1 63 63 ARG HA H 1 4.319 0.030 . 1 . . . . 63 ARG HA . 11267 1 683 . 1 1 63 63 ARG HB2 H 1 1.824 0.030 . 2 . . . . 63 ARG HB2 . 11267 1 684 . 1 1 63 63 ARG HB3 H 1 1.946 0.030 . 2 . . . . 63 ARG HB3 . 11267 1 685 . 1 1 63 63 ARG HD2 H 1 3.258 0.030 . 1 . . . . 63 ARG HD2 . 11267 1 686 . 1 1 63 63 ARG HD3 H 1 3.258 0.030 . 1 . . . . 63 ARG HD3 . 11267 1 687 . 1 1 63 63 ARG HG2 H 1 1.697 0.030 . 1 . . . . 63 ARG HG2 . 11267 1 688 . 1 1 63 63 ARG HG3 H 1 1.697 0.030 . 1 . . . . 63 ARG HG3 . 11267 1 689 . 1 1 63 63 ARG C C 13 177.511 0.300 . 1 . . . . 63 ARG C . 11267 1 690 . 1 1 63 63 ARG CA C 13 57.487 0.300 . 1 . . . . 63 ARG CA . 11267 1 691 . 1 1 63 63 ARG CB C 13 30.199 0.300 . 1 . . . . 63 ARG CB . 11267 1 692 . 1 1 63 63 ARG CD C 13 43.150 0.300 . 1 . . . . 63 ARG CD . 11267 1 693 . 1 1 63 63 ARG CG C 13 27.351 0.300 . 1 . . . . 63 ARG CG . 11267 1 694 . 1 1 63 63 ARG N N 15 114.268 0.300 . 1 . . . . 63 ARG N . 11267 1 695 . 1 1 64 64 GLN H H 1 7.839 0.030 . 1 . . . . 64 GLN H . 11267 1 696 . 1 1 64 64 GLN HA H 1 4.496 0.030 . 1 . . . . 64 GLN HA . 11267 1 697 . 1 1 64 64 GLN HB2 H 1 2.386 0.030 . 2 . . . . 64 GLN HB2 . 11267 1 698 . 1 1 64 64 GLN HB3 H 1 2.234 0.030 . 2 . . . . 64 GLN HB3 . 11267 1 699 . 1 1 64 64 GLN HE21 H 1 7.583 0.030 . 2 . . . . 64 GLN HE21 . 11267 1 700 . 1 1 64 64 GLN HE22 H 1 6.944 0.030 . 2 . . . . 64 GLN HE22 . 11267 1 701 . 1 1 64 64 GLN HG2 H 1 2.455 0.030 . 2 . . . . 64 GLN HG2 . 11267 1 702 . 1 1 64 64 GLN HG3 H 1 2.367 0.030 . 2 . . . . 64 GLN HG3 . 11267 1 703 . 1 1 64 64 GLN C C 13 175.247 0.300 . 1 . . . . 64 GLN C . 11267 1 704 . 1 1 64 64 GLN CA C 13 56.198 0.300 . 1 . . . . 64 GLN CA . 11267 1 705 . 1 1 64 64 GLN CB C 13 31.019 0.300 . 1 . . . . 64 GLN CB . 11267 1 706 . 1 1 64 64 GLN CG C 13 34.860 0.300 . 1 . . . . 64 GLN CG . 11267 1 707 . 1 1 64 64 GLN N N 15 115.709 0.300 . 1 . . . . 64 GLN N . 11267 1 708 . 1 1 64 64 GLN NE2 N 15 111.854 0.300 . 1 . . . . 64 GLN NE2 . 11267 1 709 . 1 1 65 65 ILE H H 1 7.342 0.030 . 1 . . . . 65 ILE H . 11267 1 710 . 1 1 65 65 ILE HA H 1 4.993 0.030 . 1 . . . . 65 ILE HA . 11267 1 711 . 1 1 65 65 ILE HB H 1 1.682 0.030 . 1 . . . . 65 ILE HB . 11267 1 712 . 1 1 65 65 ILE HD11 H 1 0.735 0.030 . 1 . . . . 65 ILE HD1 . 11267 1 713 . 1 1 65 65 ILE HD12 H 1 0.735 0.030 . 1 . . . . 65 ILE HD1 . 11267 1 714 . 1 1 65 65 ILE HD13 H 1 0.735 0.030 . 1 . . . . 65 ILE HD1 . 11267 1 715 . 1 1 65 65 ILE HG12 H 1 1.238 0.030 . 2 . . . . 65 ILE HG12 . 11267 1 716 . 1 1 65 65 ILE HG13 H 1 1.194 0.030 . 2 . . . . 65 ILE HG13 . 11267 1 717 . 1 1 65 65 ILE HG21 H 1 0.670 0.030 . 1 . . . . 65 ILE HG2 . 11267 1 718 . 1 1 65 65 ILE HG22 H 1 0.670 0.030 . 1 . . . . 65 ILE HG2 . 11267 1 719 . 1 1 65 65 ILE HG23 H 1 0.670 0.030 . 1 . . . . 65 ILE HG2 . 11267 1 720 . 1 1 65 65 ILE C C 13 174.278 0.300 . 1 . . . . 65 ILE C . 11267 1 721 . 1 1 65 65 ILE CA C 13 59.016 0.300 . 1 . . . . 65 ILE CA . 11267 1 722 . 1 1 65 65 ILE CB C 13 41.254 0.300 . 1 . . . . 65 ILE CB . 11267 1 723 . 1 1 65 65 ILE CD1 C 13 14.625 0.300 . 1 . . . . 65 ILE CD1 . 11267 1 724 . 1 1 65 65 ILE CG1 C 13 25.580 0.300 . 1 . . . . 65 ILE CG1 . 11267 1 725 . 1 1 65 65 ILE CG2 C 13 19.170 0.300 . 1 . . . . 65 ILE CG2 . 11267 1 726 . 1 1 65 65 ILE N N 15 115.210 0.300 . 1 . . . . 65 ILE N . 11267 1 727 . 1 1 66 66 ARG H H 1 8.476 0.030 . 1 . . . . 66 ARG H . 11267 1 728 . 1 1 66 66 ARG HA H 1 4.639 0.030 . 1 . . . . 66 ARG HA . 11267 1 729 . 1 1 66 66 ARG HB2 H 1 1.774 0.030 . 2 . . . . 66 ARG HB2 . 11267 1 730 . 1 1 66 66 ARG HB3 H 1 1.348 0.030 . 2 . . . . 66 ARG HB3 . 11267 1 731 . 1 1 66 66 ARG HD2 H 1 3.201 0.030 . 2 . . . . 66 ARG HD2 . 11267 1 732 . 1 1 66 66 ARG HD3 H 1 3.315 0.030 . 2 . . . . 66 ARG HD3 . 11267 1 733 . 1 1 66 66 ARG HG2 H 1 1.504 0.030 . 2 . . . . 66 ARG HG2 . 11267 1 734 . 1 1 66 66 ARG HG3 H 1 1.550 0.030 . 2 . . . . 66 ARG HG3 . 11267 1 735 . 1 1 66 66 ARG C C 13 173.769 0.300 . 1 . . . . 66 ARG C . 11267 1 736 . 1 1 66 66 ARG CA C 13 54.012 0.300 . 1 . . . . 66 ARG CA . 11267 1 737 . 1 1 66 66 ARG CB C 13 33.284 0.300 . 1 . . . . 66 ARG CB . 11267 1 738 . 1 1 66 66 ARG CD C 13 43.315 0.300 . 1 . . . . 66 ARG CD . 11267 1 739 . 1 1 66 66 ARG CG C 13 26.839 0.300 . 1 . . . . 66 ARG CG . 11267 1 740 . 1 1 66 66 ARG N N 15 121.145 0.300 . 1 . . . . 66 ARG N . 11267 1 741 . 1 1 67 67 PHE H H 1 9.051 0.030 . 1 . . . . 67 PHE H . 11267 1 742 . 1 1 67 67 PHE HA H 1 5.361 0.030 . 1 . . . . 67 PHE HA . 11267 1 743 . 1 1 67 67 PHE HB2 H 1 2.906 0.030 . 2 . . . . 67 PHE HB2 . 11267 1 744 . 1 1 67 67 PHE HB3 H 1 2.647 0.030 . 2 . . . . 67 PHE HB3 . 11267 1 745 . 1 1 67 67 PHE HD1 H 1 7.093 0.030 . 1 . . . . 67 PHE HD1 . 11267 1 746 . 1 1 67 67 PHE HD2 H 1 7.093 0.030 . 1 . . . . 67 PHE HD2 . 11267 1 747 . 1 1 67 67 PHE HE1 H 1 6.886 0.030 . 1 . . . . 67 PHE HE1 . 11267 1 748 . 1 1 67 67 PHE HE2 H 1 6.886 0.030 . 1 . . . . 67 PHE HE2 . 11267 1 749 . 1 1 67 67 PHE HZ H 1 7.243 0.030 . 1 . . . . 67 PHE HZ . 11267 1 750 . 1 1 67 67 PHE C C 13 175.998 0.300 . 1 . . . . 67 PHE C . 11267 1 751 . 1 1 67 67 PHE CA C 13 56.267 0.300 . 1 . . . . 67 PHE CA . 11267 1 752 . 1 1 67 67 PHE CB C 13 41.668 0.300 . 1 . . . . 67 PHE CB . 11267 1 753 . 1 1 67 67 PHE CD1 C 13 132.302 0.300 . 1 . . . . 67 PHE CD1 . 11267 1 754 . 1 1 67 67 PHE CD2 C 13 132.302 0.300 . 1 . . . . 67 PHE CD2 . 11267 1 755 . 1 1 67 67 PHE CE1 C 13 130.729 0.300 . 1 . . . . 67 PHE CE1 . 11267 1 756 . 1 1 67 67 PHE CE2 C 13 130.729 0.300 . 1 . . . . 67 PHE CE2 . 11267 1 757 . 1 1 67 67 PHE CZ C 13 129.723 0.300 . 1 . . . . 67 PHE CZ . 11267 1 758 . 1 1 67 67 PHE N N 15 120.133 0.300 . 1 . . . . 67 PHE N . 11267 1 759 . 1 1 68 68 ARG H H 1 9.553 0.030 . 1 . . . . 68 ARG H . 11267 1 760 . 1 1 68 68 ARG HA H 1 5.267 0.030 . 1 . . . . 68 ARG HA . 11267 1 761 . 1 1 68 68 ARG HB2 H 1 1.590 0.030 . 2 . . . . 68 ARG HB2 . 11267 1 762 . 1 1 68 68 ARG HB3 H 1 1.750 0.030 . 2 . . . . 68 ARG HB3 . 11267 1 763 . 1 1 68 68 ARG HD2 H 1 2.726 0.030 . 2 . . . . 68 ARG HD2 . 11267 1 764 . 1 1 68 68 ARG HD3 H 1 2.769 0.030 . 2 . . . . 68 ARG HD3 . 11267 1 765 . 1 1 68 68 ARG HG2 H 1 1.320 0.030 . 2 . . . . 68 ARG HG2 . 11267 1 766 . 1 1 68 68 ARG HG3 H 1 1.452 0.030 . 2 . . . . 68 ARG HG3 . 11267 1 767 . 1 1 68 68 ARG C C 13 173.824 0.300 . 1 . . . . 68 ARG C . 11267 1 768 . 1 1 68 68 ARG CA C 13 54.924 0.300 . 1 . . . . 68 ARG CA . 11267 1 769 . 1 1 68 68 ARG CB C 13 35.914 0.300 . 1 . . . . 68 ARG CB . 11267 1 770 . 1 1 68 68 ARG CD C 13 43.703 0.300 . 1 . . . . 68 ARG CD . 11267 1 771 . 1 1 68 68 ARG CG C 13 27.702 0.300 . 1 . . . . 68 ARG CG . 11267 1 772 . 1 1 68 68 ARG N N 15 121.912 0.300 . 1 . . . . 68 ARG N . 11267 1 773 . 1 1 69 69 PHE H H 1 9.007 0.030 . 1 . . . . 69 PHE H . 11267 1 774 . 1 1 69 69 PHE HA H 1 5.350 0.030 . 1 . . . . 69 PHE HA . 11267 1 775 . 1 1 69 69 PHE HB2 H 1 2.984 0.030 . 2 . . . . 69 PHE HB2 . 11267 1 776 . 1 1 69 69 PHE HB3 H 1 2.857 0.030 . 2 . . . . 69 PHE HB3 . 11267 1 777 . 1 1 69 69 PHE HD1 H 1 7.390 0.030 . 1 . . . . 69 PHE HD1 . 11267 1 778 . 1 1 69 69 PHE HD2 H 1 7.390 0.030 . 1 . . . . 69 PHE HD2 . 11267 1 779 . 1 1 69 69 PHE HE1 H 1 7.433 0.030 . 1 . . . . 69 PHE HE1 . 11267 1 780 . 1 1 69 69 PHE HE2 H 1 7.433 0.030 . 1 . . . . 69 PHE HE2 . 11267 1 781 . 1 1 69 69 PHE HZ H 1 7.456 0.030 . 1 . . . . 69 PHE HZ . 11267 1 782 . 1 1 69 69 PHE C C 13 175.350 0.300 . 1 . . . . 69 PHE C . 11267 1 783 . 1 1 69 69 PHE CA C 13 56.052 0.300 . 1 . . . . 69 PHE CA . 11267 1 784 . 1 1 69 69 PHE CB C 13 42.122 0.300 . 1 . . . . 69 PHE CB . 11267 1 785 . 1 1 69 69 PHE CD1 C 13 131.754 0.300 . 1 . . . . 69 PHE CD1 . 11267 1 786 . 1 1 69 69 PHE CD2 C 13 131.754 0.300 . 1 . . . . 69 PHE CD2 . 11267 1 787 . 1 1 69 69 PHE CE1 C 13 131.999 0.300 . 1 . . . . 69 PHE CE1 . 11267 1 788 . 1 1 69 69 PHE CE2 C 13 131.999 0.300 . 1 . . . . 69 PHE CE2 . 11267 1 789 . 1 1 69 69 PHE CZ C 13 131.162 0.300 . 1 . . . . 69 PHE CZ . 11267 1 790 . 1 1 69 69 PHE N N 15 120.455 0.300 . 1 . . . . 69 PHE N . 11267 1 791 . 1 1 70 70 ASP H H 1 9.447 0.030 . 1 . . . . 70 ASP H . 11267 1 792 . 1 1 70 70 ASP HA H 1 4.059 0.030 . 1 . . . . 70 ASP HA . 11267 1 793 . 1 1 70 70 ASP HB2 H 1 2.665 0.030 . 2 . . . . 70 ASP HB2 . 11267 1 794 . 1 1 70 70 ASP HB3 H 1 1.460 0.030 . 2 . . . . 70 ASP HB3 . 11267 1 795 . 1 1 70 70 ASP C C 13 176.015 0.300 . 1 . . . . 70 ASP C . 11267 1 796 . 1 1 70 70 ASP CA C 13 54.599 0.300 . 1 . . . . 70 ASP CA . 11267 1 797 . 1 1 70 70 ASP CB C 13 39.328 0.300 . 1 . . . . 70 ASP CB . 11267 1 798 . 1 1 70 70 ASP N N 15 132.282 0.300 . 1 . . . . 70 ASP N . 11267 1 799 . 1 1 71 71 GLY H H 1 8.675 0.030 . 1 . . . . 71 GLY H . 11267 1 800 . 1 1 71 71 GLY HA2 H 1 3.501 0.030 . 2 . . . . 71 GLY HA2 . 11267 1 801 . 1 1 71 71 GLY HA3 H 1 4.181 0.030 . 2 . . . . 71 GLY HA3 . 11267 1 802 . 1 1 71 71 GLY C C 13 174.084 0.300 . 1 . . . . 71 GLY C . 11267 1 803 . 1 1 71 71 GLY CA C 13 45.357 0.300 . 1 . . . . 71 GLY CA . 11267 1 804 . 1 1 71 71 GLY N N 15 102.454 0.300 . 1 . . . . 71 GLY N . 11267 1 805 . 1 1 72 72 GLN H H 1 7.915 0.030 . 1 . . . . 72 GLN H . 11267 1 806 . 1 1 72 72 GLN HA H 1 4.956 0.030 . 1 . . . . 72 GLN HA . 11267 1 807 . 1 1 72 72 GLN HB2 H 1 2.104 0.030 . 2 . . . . 72 GLN HB2 . 11267 1 808 . 1 1 72 72 GLN HB3 H 1 2.243 0.030 . 2 . . . . 72 GLN HB3 . 11267 1 809 . 1 1 72 72 GLN HE21 H 1 7.560 0.030 . 2 . . . . 72 GLN HE21 . 11267 1 810 . 1 1 72 72 GLN HE22 H 1 6.916 0.030 . 2 . . . . 72 GLN HE22 . 11267 1 811 . 1 1 72 72 GLN HG2 H 1 2.464 0.030 . 2 . . . . 72 GLN HG2 . 11267 1 812 . 1 1 72 72 GLN HG3 H 1 2.389 0.030 . 2 . . . . 72 GLN HG3 . 11267 1 813 . 1 1 72 72 GLN C C 13 173.363 0.300 . 1 . . . . 72 GLN C . 11267 1 814 . 1 1 72 72 GLN CA C 13 52.399 0.300 . 1 . . . . 72 GLN CA . 11267 1 815 . 1 1 72 72 GLN CB C 13 30.112 0.300 . 1 . . . . 72 GLN CB . 11267 1 816 . 1 1 72 72 GLN CG C 13 33.058 0.300 . 1 . . . . 72 GLN CG . 11267 1 817 . 1 1 72 72 GLN N N 15 120.823 0.300 . 1 . . . . 72 GLN N . 11267 1 818 . 1 1 72 72 GLN NE2 N 15 112.378 0.300 . 1 . . . . 72 GLN NE2 . 11267 1 819 . 1 1 73 73 PRO HA H 1 4.744 0.030 . 1 . . . . 73 PRO HA . 11267 1 820 . 1 1 73 73 PRO HB2 H 1 2.380 0.030 . 2 . . . . 73 PRO HB2 . 11267 1 821 . 1 1 73 73 PRO HB3 H 1 2.001 0.030 . 2 . . . . 73 PRO HB3 . 11267 1 822 . 1 1 73 73 PRO HD2 H 1 3.894 0.030 . 2 . . . . 73 PRO HD2 . 11267 1 823 . 1 1 73 73 PRO HD3 H 1 3.802 0.030 . 2 . . . . 73 PRO HD3 . 11267 1 824 . 1 1 73 73 PRO HG2 H 1 1.975 0.030 . 2 . . . . 73 PRO HG2 . 11267 1 825 . 1 1 73 73 PRO HG3 H 1 2.233 0.030 . 2 . . . . 73 PRO HG3 . 11267 1 826 . 1 1 73 73 PRO C C 13 176.379 0.300 . 1 . . . . 73 PRO C . 11267 1 827 . 1 1 73 73 PRO CA C 13 63.298 0.300 . 1 . . . . 73 PRO CA . 11267 1 828 . 1 1 73 73 PRO CB C 13 32.441 0.300 . 1 . . . . 73 PRO CB . 11267 1 829 . 1 1 73 73 PRO CD C 13 50.964 0.300 . 1 . . . . 73 PRO CD . 11267 1 830 . 1 1 73 73 PRO CG C 13 27.746 0.300 . 1 . . . . 73 PRO CG . 11267 1 831 . 1 1 74 74 ILE H H 1 7.925 0.030 . 1 . . . . 74 ILE H . 11267 1 832 . 1 1 74 74 ILE HA H 1 4.447 0.030 . 1 . . . . 74 ILE HA . 11267 1 833 . 1 1 74 74 ILE HB H 1 1.715 0.030 . 1 . . . . 74 ILE HB . 11267 1 834 . 1 1 74 74 ILE HD11 H 1 0.678 0.030 . 1 . . . . 74 ILE HD1 . 11267 1 835 . 1 1 74 74 ILE HD12 H 1 0.678 0.030 . 1 . . . . 74 ILE HD1 . 11267 1 836 . 1 1 74 74 ILE HD13 H 1 0.678 0.030 . 1 . . . . 74 ILE HD1 . 11267 1 837 . 1 1 74 74 ILE HG12 H 1 0.900 0.030 . 2 . . . . 74 ILE HG12 . 11267 1 838 . 1 1 74 74 ILE HG13 H 1 1.426 0.030 . 2 . . . . 74 ILE HG13 . 11267 1 839 . 1 1 74 74 ILE HG21 H 1 0.904 0.030 . 1 . . . . 74 ILE HG2 . 11267 1 840 . 1 1 74 74 ILE HG22 H 1 0.904 0.030 . 1 . . . . 74 ILE HG2 . 11267 1 841 . 1 1 74 74 ILE HG23 H 1 0.904 0.030 . 1 . . . . 74 ILE HG2 . 11267 1 842 . 1 1 74 74 ILE C C 13 175.156 0.300 . 1 . . . . 74 ILE C . 11267 1 843 . 1 1 74 74 ILE CA C 13 60.365 0.300 . 1 . . . . 74 ILE CA . 11267 1 844 . 1 1 74 74 ILE CB C 13 40.292 0.300 . 1 . . . . 74 ILE CB . 11267 1 845 . 1 1 74 74 ILE CD1 C 13 15.074 0.300 . 1 . . . . 74 ILE CD1 . 11267 1 846 . 1 1 74 74 ILE CG1 C 13 26.908 0.300 . 1 . . . . 74 ILE CG1 . 11267 1 847 . 1 1 74 74 ILE CG2 C 13 19.545 0.300 . 1 . . . . 74 ILE CG2 . 11267 1 848 . 1 1 74 74 ILE N N 15 119.490 0.300 . 1 . . . . 74 ILE N . 11267 1 849 . 1 1 75 75 ASN H H 1 9.238 0.030 . 1 . . . . 75 ASN H . 11267 1 850 . 1 1 75 75 ASN HA H 1 5.018 0.030 . 1 . . . . 75 ASN HA . 11267 1 851 . 1 1 75 75 ASN HB2 H 1 2.642 0.030 . 2 . . . . 75 ASN HB2 . 11267 1 852 . 1 1 75 75 ASN HB3 H 1 2.822 0.030 . 2 . . . . 75 ASN HB3 . 11267 1 853 . 1 1 75 75 ASN HD21 H 1 6.976 0.030 . 2 . . . . 75 ASN HD21 . 11267 1 854 . 1 1 75 75 ASN HD22 H 1 8.005 0.030 . 2 . . . . 75 ASN HD22 . 11267 1 855 . 1 1 75 75 ASN C C 13 176.131 0.300 . 1 . . . . 75 ASN C . 11267 1 856 . 1 1 75 75 ASN CA C 13 52.113 0.300 . 1 . . . . 75 ASN CA . 11267 1 857 . 1 1 75 75 ASN CB C 13 41.166 0.300 . 1 . . . . 75 ASN CB . 11267 1 858 . 1 1 75 75 ASN N N 15 123.988 0.300 . 1 . . . . 75 ASN N . 11267 1 859 . 1 1 75 75 ASN ND2 N 15 116.545 0.300 . 1 . . . . 75 ASN ND2 . 11267 1 860 . 1 1 76 76 GLU H H 1 9.071 0.030 . 1 . . . . 76 GLU H . 11267 1 861 . 1 1 76 76 GLU HA H 1 3.786 0.030 . 1 . . . . 76 GLU HA . 11267 1 862 . 1 1 76 76 GLU HB2 H 1 2.031 0.030 . 2 . . . . 76 GLU HB2 . 11267 1 863 . 1 1 76 76 GLU HB3 H 1 2.086 0.030 . 2 . . . . 76 GLU HB3 . 11267 1 864 . 1 1 76 76 GLU HG2 H 1 2.285 0.030 . 2 . . . . 76 GLU HG2 . 11267 1 865 . 1 1 76 76 GLU HG3 H 1 2.361 0.030 . 2 . . . . 76 GLU HG3 . 11267 1 866 . 1 1 76 76 GLU C C 13 175.937 0.300 . 1 . . . . 76 GLU C . 11267 1 867 . 1 1 76 76 GLU CA C 13 59.831 0.300 . 1 . . . . 76 GLU CA . 11267 1 868 . 1 1 76 76 GLU CB C 13 30.720 0.300 . 1 . . . . 76 GLU CB . 11267 1 869 . 1 1 76 76 GLU CG C 13 37.614 0.300 . 1 . . . . 76 GLU CG . 11267 1 870 . 1 1 76 76 GLU N N 15 120.122 0.300 . 1 . . . . 76 GLU N . 11267 1 871 . 1 1 77 77 THR H H 1 7.239 0.030 . 1 . . . . 77 THR H . 11267 1 872 . 1 1 77 77 THR HA H 1 4.213 0.030 . 1 . . . . 77 THR HA . 11267 1 873 . 1 1 77 77 THR HB H 1 4.527 0.030 . 1 . . . . 77 THR HB . 11267 1 874 . 1 1 77 77 THR HG21 H 1 1.248 0.030 . 1 . . . . 77 THR HG2 . 11267 1 875 . 1 1 77 77 THR HG22 H 1 1.248 0.030 . 1 . . . . 77 THR HG2 . 11267 1 876 . 1 1 77 77 THR HG23 H 1 1.248 0.030 . 1 . . . . 77 THR HG2 . 11267 1 877 . 1 1 77 77 THR C C 13 175.707 0.300 . 1 . . . . 77 THR C . 11267 1 878 . 1 1 77 77 THR CA C 13 61.572 0.300 . 1 . . . . 77 THR CA . 11267 1 879 . 1 1 77 77 THR CB C 13 69.258 0.300 . 1 . . . . 77 THR CB . 11267 1 880 . 1 1 77 77 THR CG2 C 13 22.033 0.300 . 1 . . . . 77 THR CG2 . 11267 1 881 . 1 1 77 77 THR N N 15 102.177 0.300 . 1 . . . . 77 THR N . 11267 1 882 . 1 1 78 78 ASP H H 1 7.560 0.030 . 1 . . . . 78 ASP H . 11267 1 883 . 1 1 78 78 ASP HA H 1 4.790 0.030 . 1 . . . . 78 ASP HA . 11267 1 884 . 1 1 78 78 ASP HB2 H 1 2.882 0.030 . 2 . . . . 78 ASP HB2 . 11267 1 885 . 1 1 78 78 ASP HB3 H 1 2.460 0.030 . 2 . . . . 78 ASP HB3 . 11267 1 886 . 1 1 78 78 ASP C C 13 175.175 0.300 . 1 . . . . 78 ASP C . 11267 1 887 . 1 1 78 78 ASP CA C 13 55.365 0.300 . 1 . . . . 78 ASP CA . 11267 1 888 . 1 1 78 78 ASP CB C 13 42.042 0.300 . 1 . . . . 78 ASP CB . 11267 1 889 . 1 1 78 78 ASP N N 15 123.270 0.300 . 1 . . . . 78 ASP N . 11267 1 890 . 1 1 79 79 THR H H 1 7.415 0.030 . 1 . . . . 79 THR H . 11267 1 891 . 1 1 79 79 THR HA H 1 5.092 0.030 . 1 . . . . 79 THR HA . 11267 1 892 . 1 1 79 79 THR HB H 1 4.460 0.030 . 1 . . . . 79 THR HB . 11267 1 893 . 1 1 79 79 THR HG21 H 1 1.018 0.030 . 1 . . . . 79 THR HG2 . 11267 1 894 . 1 1 79 79 THR HG22 H 1 1.018 0.030 . 1 . . . . 79 THR HG2 . 11267 1 895 . 1 1 79 79 THR HG23 H 1 1.018 0.030 . 1 . . . . 79 THR HG2 . 11267 1 896 . 1 1 79 79 THR C C 13 173.460 0.300 . 1 . . . . 79 THR C . 11267 1 897 . 1 1 79 79 THR CA C 13 57.579 0.300 . 1 . . . . 79 THR CA . 11267 1 898 . 1 1 79 79 THR CB C 13 69.512 0.300 . 1 . . . . 79 THR CB . 11267 1 899 . 1 1 79 79 THR CG2 C 13 21.264 0.300 . 1 . . . . 79 THR CG2 . 11267 1 900 . 1 1 79 79 THR N N 15 108.651 0.300 . 1 . . . . 79 THR N . 11267 1 901 . 1 1 80 80 PRO HA H 1 4.263 0.030 . 1 . . . . 80 PRO HA . 11267 1 902 . 1 1 80 80 PRO HB2 H 1 2.133 0.030 . 2 . . . . 80 PRO HB2 . 11267 1 903 . 1 1 80 80 PRO HB3 H 1 1.842 0.030 . 2 . . . . 80 PRO HB3 . 11267 1 904 . 1 1 80 80 PRO HD2 H 1 3.898 0.030 . 1 . . . . 80 PRO HD2 . 11267 1 905 . 1 1 80 80 PRO HD3 H 1 3.898 0.030 . 1 . . . . 80 PRO HD3 . 11267 1 906 . 1 1 80 80 PRO HG2 H 1 1.648 0.030 . 2 . . . . 80 PRO HG2 . 11267 1 907 . 1 1 80 80 PRO HG3 H 1 2.073 0.030 . 2 . . . . 80 PRO HG3 . 11267 1 908 . 1 1 80 80 PRO C C 13 178.872 0.300 . 1 . . . . 80 PRO C . 11267 1 909 . 1 1 80 80 PRO CA C 13 65.657 0.300 . 1 . . . . 80 PRO CA . 11267 1 910 . 1 1 80 80 PRO CB C 13 32.246 0.300 . 1 . . . . 80 PRO CB . 11267 1 911 . 1 1 80 80 PRO CD C 13 51.293 0.300 . 1 . . . . 80 PRO CD . 11267 1 912 . 1 1 80 80 PRO CG C 13 28.016 0.300 . 1 . . . . 80 PRO CG . 11267 1 913 . 1 1 81 81 ALA H H 1 8.300 0.030 . 1 . . . . 81 ALA H . 11267 1 914 . 1 1 81 81 ALA HA H 1 4.087 0.030 . 1 . . . . 81 ALA HA . 11267 1 915 . 1 1 81 81 ALA HB1 H 1 1.057 0.030 . 1 . . . . 81 ALA HB . 11267 1 916 . 1 1 81 81 ALA HB2 H 1 1.057 0.030 . 1 . . . . 81 ALA HB . 11267 1 917 . 1 1 81 81 ALA HB3 H 1 1.057 0.030 . 1 . . . . 81 ALA HB . 11267 1 918 . 1 1 81 81 ALA C C 13 181.509 0.300 . 1 . . . . 81 ALA C . 11267 1 919 . 1 1 81 81 ALA CA C 13 54.721 0.300 . 1 . . . . 81 ALA CA . 11267 1 920 . 1 1 81 81 ALA CB C 13 18.512 0.300 . 1 . . . . 81 ALA CB . 11267 1 921 . 1 1 81 81 ALA N N 15 116.994 0.300 . 1 . . . . 81 ALA N . 11267 1 922 . 1 1 82 82 GLN H H 1 7.992 0.030 . 1 . . . . 82 GLN H . 11267 1 923 . 1 1 82 82 GLN HA H 1 4.048 0.030 . 1 . . . . 82 GLN HA . 11267 1 924 . 1 1 82 82 GLN HB2 H 1 2.195 0.030 . 2 . . . . 82 GLN HB2 . 11267 1 925 . 1 1 82 82 GLN HB3 H 1 2.338 0.030 . 2 . . . . 82 GLN HB3 . 11267 1 926 . 1 1 82 82 GLN HE21 H 1 6.786 0.030 . 2 . . . . 82 GLN HE21 . 11267 1 927 . 1 1 82 82 GLN HE22 H 1 7.483 0.030 . 2 . . . . 82 GLN HE22 . 11267 1 928 . 1 1 82 82 GLN HG2 H 1 2.492 0.030 . 1 . . . . 82 GLN HG2 . 11267 1 929 . 1 1 82 82 GLN HG3 H 1 2.492 0.030 . 1 . . . . 82 GLN HG3 . 11267 1 930 . 1 1 82 82 GLN C C 13 178.033 0.300 . 1 . . . . 82 GLN C . 11267 1 931 . 1 1 82 82 GLN CA C 13 58.466 0.300 . 1 . . . . 82 GLN CA . 11267 1 932 . 1 1 82 82 GLN CB C 13 28.752 0.300 . 1 . . . . 82 GLN CB . 11267 1 933 . 1 1 82 82 GLN CG C 13 33.774 0.300 . 1 . . . . 82 GLN CG . 11267 1 934 . 1 1 82 82 GLN N N 15 120.106 0.300 . 1 . . . . 82 GLN N . 11267 1 935 . 1 1 82 82 GLN NE2 N 15 110.453 0.300 . 1 . . . . 82 GLN NE2 . 11267 1 936 . 1 1 83 83 LEU H H 1 7.430 0.030 . 1 . . . . 83 LEU H . 11267 1 937 . 1 1 83 83 LEU HA H 1 4.390 0.030 . 1 . . . . 83 LEU HA . 11267 1 938 . 1 1 83 83 LEU HB2 H 1 1.556 0.030 . 2 . . . . 83 LEU HB2 . 11267 1 939 . 1 1 83 83 LEU HB3 H 1 1.693 0.030 . 2 . . . . 83 LEU HB3 . 11267 1 940 . 1 1 83 83 LEU HD11 H 1 0.823 0.030 . 1 . . . . 83 LEU HD1 . 11267 1 941 . 1 1 83 83 LEU HD12 H 1 0.823 0.030 . 1 . . . . 83 LEU HD1 . 11267 1 942 . 1 1 83 83 LEU HD13 H 1 0.823 0.030 . 1 . . . . 83 LEU HD1 . 11267 1 943 . 1 1 83 83 LEU HD21 H 1 0.931 0.030 . 1 . . . . 83 LEU HD2 . 11267 1 944 . 1 1 83 83 LEU HD22 H 1 0.931 0.030 . 1 . . . . 83 LEU HD2 . 11267 1 945 . 1 1 83 83 LEU HD23 H 1 0.931 0.030 . 1 . . . . 83 LEU HD2 . 11267 1 946 . 1 1 83 83 LEU HG H 1 1.729 0.030 . 1 . . . . 83 LEU HG . 11267 1 947 . 1 1 83 83 LEU C C 13 174.811 0.300 . 1 . . . . 83 LEU C . 11267 1 948 . 1 1 83 83 LEU CA C 13 54.481 0.300 . 1 . . . . 83 LEU CA . 11267 1 949 . 1 1 83 83 LEU CB C 13 42.328 0.300 . 1 . . . . 83 LEU CB . 11267 1 950 . 1 1 83 83 LEU CD1 C 13 26.260 0.300 . 2 . . . . 83 LEU CD1 . 11267 1 951 . 1 1 83 83 LEU CD2 C 13 22.247 0.300 . 2 . . . . 83 LEU CD2 . 11267 1 952 . 1 1 83 83 LEU CG C 13 27.408 0.300 . 1 . . . . 83 LEU CG . 11267 1 953 . 1 1 83 83 LEU N N 15 117.013 0.300 . 1 . . . . 83 LEU N . 11267 1 954 . 1 1 84 84 GLU H H 1 7.718 0.030 . 1 . . . . 84 GLU H . 11267 1 955 . 1 1 84 84 GLU HA H 1 3.840 0.030 . 1 . . . . 84 GLU HA . 11267 1 956 . 1 1 84 84 GLU HB2 H 1 2.197 0.030 . 2 . . . . 84 GLU HB2 . 11267 1 957 . 1 1 84 84 GLU HB3 H 1 2.335 0.030 . 2 . . . . 84 GLU HB3 . 11267 1 958 . 1 1 84 84 GLU HG2 H 1 2.171 0.030 . 2 . . . . 84 GLU HG2 . 11267 1 959 . 1 1 84 84 GLU HG3 H 1 2.212 0.030 . 2 . . . . 84 GLU HG3 . 11267 1 960 . 1 1 84 84 GLU C C 13 176.168 0.300 . 1 . . . . 84 GLU C . 11267 1 961 . 1 1 84 84 GLU CA C 13 57.307 0.300 . 1 . . . . 84 GLU CA . 11267 1 962 . 1 1 84 84 GLU CB C 13 26.385 0.300 . 1 . . . . 84 GLU CB . 11267 1 963 . 1 1 84 84 GLU CG C 13 36.863 0.300 . 1 . . . . 84 GLU CG . 11267 1 964 . 1 1 84 84 GLU N N 15 114.256 0.300 . 1 . . . . 84 GLU N . 11267 1 965 . 1 1 85 85 MET H H 1 7.784 0.030 . 1 . . . . 85 MET H . 11267 1 966 . 1 1 85 85 MET HA H 1 4.244 0.030 . 1 . . . . 85 MET HA . 11267 1 967 . 1 1 85 85 MET HB2 H 1 1.796 0.030 . 2 . . . . 85 MET HB2 . 11267 1 968 . 1 1 85 85 MET HB3 H 1 1.296 0.030 . 2 . . . . 85 MET HB3 . 11267 1 969 . 1 1 85 85 MET HE1 H 1 1.204 0.030 . 1 . . . . 85 MET HE . 11267 1 970 . 1 1 85 85 MET HE2 H 1 1.204 0.030 . 1 . . . . 85 MET HE . 11267 1 971 . 1 1 85 85 MET HE3 H 1 1.204 0.030 . 1 . . . . 85 MET HE . 11267 1 972 . 1 1 85 85 MET HG2 H 1 1.323 0.030 . 2 . . . . 85 MET HG2 . 11267 1 973 . 1 1 85 85 MET HG3 H 1 2.182 0.030 . 2 . . . . 85 MET HG3 . 11267 1 974 . 1 1 85 85 MET C C 13 175.247 0.300 . 1 . . . . 85 MET C . 11267 1 975 . 1 1 85 85 MET CA C 13 56.894 0.300 . 1 . . . . 85 MET CA . 11267 1 976 . 1 1 85 85 MET CB C 13 34.932 0.300 . 1 . . . . 85 MET CB . 11267 1 977 . 1 1 85 85 MET CE C 13 18.450 0.300 . 1 . . . . 85 MET CE . 11267 1 978 . 1 1 85 85 MET CG C 13 33.562 0.300 . 1 . . . . 85 MET CG . 11267 1 979 . 1 1 85 85 MET N N 15 116.646 0.300 . 1 . . . . 85 MET N . 11267 1 980 . 1 1 86 86 GLU H H 1 9.431 0.030 . 1 . . . . 86 GLU H . 11267 1 981 . 1 1 86 86 GLU HA H 1 4.545 0.030 . 1 . . . . 86 GLU HA . 11267 1 982 . 1 1 86 86 GLU HB2 H 1 1.818 0.030 . 2 . . . . 86 GLU HB2 . 11267 1 983 . 1 1 86 86 GLU HB3 H 1 2.120 0.030 . 2 . . . . 86 GLU HB3 . 11267 1 984 . 1 1 86 86 GLU HG2 H 1 2.254 0.030 . 2 . . . . 86 GLU HG2 . 11267 1 985 . 1 1 86 86 GLU HG3 H 1 2.412 0.030 . 2 . . . . 86 GLU HG3 . 11267 1 986 . 1 1 86 86 GLU C C 13 174.684 0.300 . 1 . . . . 86 GLU C . 11267 1 987 . 1 1 86 86 GLU CA C 13 53.712 0.300 . 1 . . . . 86 GLU CA . 11267 1 988 . 1 1 86 86 GLU CB C 13 33.284 0.300 . 1 . . . . 86 GLU CB . 11267 1 989 . 1 1 86 86 GLU CG C 13 35.934 0.300 . 1 . . . . 86 GLU CG . 11267 1 990 . 1 1 86 86 GLU N N 15 122.199 0.300 . 1 . . . . 86 GLU N . 11267 1 991 . 1 1 87 87 ASP H H 1 8.457 0.030 . 1 . . . . 87 ASP H . 11267 1 992 . 1 1 87 87 ASP HA H 1 4.561 0.030 . 1 . . . . 87 ASP HA . 11267 1 993 . 1 1 87 87 ASP HB2 H 1 2.676 0.030 . 1 . . . . 87 ASP HB2 . 11267 1 994 . 1 1 87 87 ASP HB3 H 1 2.676 0.030 . 1 . . . . 87 ASP HB3 . 11267 1 995 . 1 1 87 87 ASP C C 13 177.524 0.300 . 1 . . . . 87 ASP C . 11267 1 996 . 1 1 87 87 ASP CA C 13 56.965 0.300 . 1 . . . . 87 ASP CA . 11267 1 997 . 1 1 87 87 ASP CB C 13 42.002 0.300 . 1 . . . . 87 ASP CB . 11267 1 998 . 1 1 87 87 ASP N N 15 118.174 0.300 . 1 . . . . 87 ASP N . 11267 1 999 . 1 1 88 88 GLU H H 1 9.513 0.030 . 1 . . . . 88 GLU H . 11267 1 1000 . 1 1 88 88 GLU HA H 1 3.752 0.030 . 1 . . . . 88 GLU HA . 11267 1 1001 . 1 1 88 88 GLU HB2 H 1 2.484 0.030 . 2 . . . . 88 GLU HB2 . 11267 1 1002 . 1 1 88 88 GLU HB3 H 1 2.272 0.030 . 2 . . . . 88 GLU HB3 . 11267 1 1003 . 1 1 88 88 GLU HG2 H 1 2.321 0.030 . 2 . . . . 88 GLU HG2 . 11267 1 1004 . 1 1 88 88 GLU HG3 H 1 2.092 0.030 . 2 . . . . 88 GLU HG3 . 11267 1 1005 . 1 1 88 88 GLU C C 13 175.658 0.300 . 1 . . . . 88 GLU C . 11267 1 1006 . 1 1 88 88 GLU CA C 13 58.411 0.300 . 1 . . . . 88 GLU CA . 11267 1 1007 . 1 1 88 88 GLU CB C 13 26.376 0.300 . 1 . . . . 88 GLU CB . 11267 1 1008 . 1 1 88 88 GLU CG C 13 36.213 0.300 . 1 . . . . 88 GLU CG . 11267 1 1009 . 1 1 88 88 GLU N N 15 116.477 0.300 . 1 . . . . 88 GLU N . 11267 1 1010 . 1 1 89 89 ASP H H 1 8.048 0.030 . 1 . . . . 89 ASP H . 11267 1 1011 . 1 1 89 89 ASP HA H 1 4.911 0.030 . 1 . . . . 89 ASP HA . 11267 1 1012 . 1 1 89 89 ASP HB2 H 1 3.004 0.030 . 2 . . . . 89 ASP HB2 . 11267 1 1013 . 1 1 89 89 ASP HB3 H 1 2.704 0.030 . 2 . . . . 89 ASP HB3 . 11267 1 1014 . 1 1 89 89 ASP C C 13 174.702 0.300 . 1 . . . . 89 ASP C . 11267 1 1015 . 1 1 89 89 ASP CA C 13 56.010 0.300 . 1 . . . . 89 ASP CA . 11267 1 1016 . 1 1 89 89 ASP CB C 13 42.122 0.300 . 1 . . . . 89 ASP CB . 11267 1 1017 . 1 1 89 89 ASP N N 15 120.771 0.300 . 1 . . . . 89 ASP N . 11267 1 1018 . 1 1 90 90 THR H H 1 8.408 0.030 . 1 . . . . 90 THR H . 11267 1 1019 . 1 1 90 90 THR HA H 1 5.230 0.030 . 1 . . . . 90 THR HA . 11267 1 1020 . 1 1 90 90 THR HB H 1 4.003 0.030 . 1 . . . . 90 THR HB . 11267 1 1021 . 1 1 90 90 THR HG21 H 1 1.131 0.030 . 1 . . . . 90 THR HG2 . 11267 1 1022 . 1 1 90 90 THR HG22 H 1 1.131 0.030 . 1 . . . . 90 THR HG2 . 11267 1 1023 . 1 1 90 90 THR HG23 H 1 1.131 0.030 . 1 . . . . 90 THR HG2 . 11267 1 1024 . 1 1 90 90 THR C C 13 174.138 0.300 . 1 . . . . 90 THR C . 11267 1 1025 . 1 1 90 90 THR CA C 13 62.274 0.300 . 1 . . . . 90 THR CA . 11267 1 1026 . 1 1 90 90 THR CB C 13 71.521 0.300 . 1 . . . . 90 THR CB . 11267 1 1027 . 1 1 90 90 THR CG2 C 13 22.449 0.300 . 1 . . . . 90 THR CG2 . 11267 1 1028 . 1 1 90 90 THR N N 15 113.626 0.300 . 1 . . . . 90 THR N . 11267 1 1029 . 1 1 91 91 ILE H H 1 9.468 0.030 . 1 . . . . 91 ILE H . 11267 1 1030 . 1 1 91 91 ILE HA H 1 4.617 0.030 . 1 . . . . 91 ILE HA . 11267 1 1031 . 1 1 91 91 ILE HB H 1 1.796 0.030 . 1 . . . . 91 ILE HB . 11267 1 1032 . 1 1 91 91 ILE HD11 H 1 0.616 0.030 . 1 . . . . 91 ILE HD1 . 11267 1 1033 . 1 1 91 91 ILE HD12 H 1 0.616 0.030 . 1 . . . . 91 ILE HD1 . 11267 1 1034 . 1 1 91 91 ILE HD13 H 1 0.616 0.030 . 1 . . . . 91 ILE HD1 . 11267 1 1035 . 1 1 91 91 ILE HG12 H 1 0.847 0.030 . 2 . . . . 91 ILE HG12 . 11267 1 1036 . 1 1 91 91 ILE HG13 H 1 1.657 0.030 . 2 . . . . 91 ILE HG13 . 11267 1 1037 . 1 1 91 91 ILE HG21 H 1 0.978 0.030 . 1 . . . . 91 ILE HG2 . 11267 1 1038 . 1 1 91 91 ILE HG22 H 1 0.978 0.030 . 1 . . . . 91 ILE HG2 . 11267 1 1039 . 1 1 91 91 ILE HG23 H 1 0.978 0.030 . 1 . . . . 91 ILE HG2 . 11267 1 1040 . 1 1 91 91 ILE C C 13 173.757 0.300 . 1 . . . . 91 ILE C . 11267 1 1041 . 1 1 91 91 ILE CA C 13 60.452 0.300 . 1 . . . . 91 ILE CA . 11267 1 1042 . 1 1 91 91 ILE CB C 13 41.019 0.300 . 1 . . . . 91 ILE CB . 11267 1 1043 . 1 1 91 91 ILE CD1 C 13 14.774 0.300 . 1 . . . . 91 ILE CD1 . 11267 1 1044 . 1 1 91 91 ILE CG1 C 13 28.285 0.300 . 1 . . . . 91 ILE CG1 . 11267 1 1045 . 1 1 91 91 ILE CG2 C 13 18.633 0.300 . 1 . . . . 91 ILE CG2 . 11267 1 1046 . 1 1 91 91 ILE N N 15 127.259 0.300 . 1 . . . . 91 ILE N . 11267 1 1047 . 1 1 92 92 ASP H H 1 9.023 0.030 . 1 . . . . 92 ASP H . 11267 1 1048 . 1 1 92 92 ASP HA H 1 5.367 0.030 . 1 . . . . 92 ASP HA . 11267 1 1049 . 1 1 92 92 ASP HB2 H 1 2.547 0.030 . 1 . . . . 92 ASP HB2 . 11267 1 1050 . 1 1 92 92 ASP HB3 H 1 2.547 0.030 . 1 . . . . 92 ASP HB3 . 11267 1 1051 . 1 1 92 92 ASP C C 13 175.004 0.300 . 1 . . . . 92 ASP C . 11267 1 1052 . 1 1 92 92 ASP CA C 13 54.178 0.300 . 1 . . . . 92 ASP CA . 11267 1 1053 . 1 1 92 92 ASP CB C 13 44.738 0.300 . 1 . . . . 92 ASP CB . 11267 1 1054 . 1 1 92 92 ASP N N 15 126.460 0.300 . 1 . . . . 92 ASP N . 11267 1 1055 . 1 1 93 93 VAL H H 1 7.832 0.030 . 1 . . . . 93 VAL H . 11267 1 1056 . 1 1 93 93 VAL HA H 1 4.744 0.030 . 1 . . . . 93 VAL HA . 11267 1 1057 . 1 1 93 93 VAL HB H 1 1.538 0.030 . 1 . . . . 93 VAL HB . 11267 1 1058 . 1 1 93 93 VAL HG11 H 1 0.506 0.030 . 1 . . . . 93 VAL HG1 . 11267 1 1059 . 1 1 93 93 VAL HG12 H 1 0.506 0.030 . 1 . . . . 93 VAL HG1 . 11267 1 1060 . 1 1 93 93 VAL HG13 H 1 0.506 0.030 . 1 . . . . 93 VAL HG1 . 11267 1 1061 . 1 1 93 93 VAL HG21 H 1 0.353 0.030 . 1 . . . . 93 VAL HG2 . 11267 1 1062 . 1 1 93 93 VAL HG22 H 1 0.353 0.030 . 1 . . . . 93 VAL HG2 . 11267 1 1063 . 1 1 93 93 VAL HG23 H 1 0.353 0.030 . 1 . . . . 93 VAL HG2 . 11267 1 1064 . 1 1 93 93 VAL C C 13 174.961 0.300 . 1 . . . . 93 VAL C . 11267 1 1065 . 1 1 93 93 VAL CA C 13 60.194 0.300 . 1 . . . . 93 VAL CA . 11267 1 1066 . 1 1 93 93 VAL CB C 13 34.198 0.300 . 1 . . . . 93 VAL CB . 11267 1 1067 . 1 1 93 93 VAL CG1 C 13 21.606 0.300 . 2 . . . . 93 VAL CG1 . 11267 1 1068 . 1 1 93 93 VAL CG2 C 13 22.000 0.300 . 2 . . . . 93 VAL CG2 . 11267 1 1069 . 1 1 93 93 VAL N N 15 118.710 0.300 . 1 . . . . 93 VAL N . 11267 1 1070 . 1 1 94 94 PHE H H 1 8.684 0.030 . 1 . . . . 94 PHE H . 11267 1 1071 . 1 1 94 94 PHE HA H 1 4.744 0.030 . 1 . . . . 94 PHE HA . 11267 1 1072 . 1 1 94 94 PHE HB2 H 1 3.019 0.030 . 2 . . . . 94 PHE HB2 . 11267 1 1073 . 1 1 94 94 PHE HB3 H 1 2.722 0.030 . 2 . . . . 94 PHE HB3 . 11267 1 1074 . 1 1 94 94 PHE HD1 H 1 7.041 0.030 . 1 . . . . 94 PHE HD1 . 11267 1 1075 . 1 1 94 94 PHE HD2 H 1 7.041 0.030 . 1 . . . . 94 PHE HD2 . 11267 1 1076 . 1 1 94 94 PHE HE1 H 1 7.163 0.030 . 1 . . . . 94 PHE HE1 . 11267 1 1077 . 1 1 94 94 PHE HE2 H 1 7.163 0.030 . 1 . . . . 94 PHE HE2 . 11267 1 1078 . 1 1 94 94 PHE HZ H 1 7.220 0.030 . 1 . . . . 94 PHE HZ . 11267 1 1079 . 1 1 94 94 PHE C C 13 174.187 0.300 . 1 . . . . 94 PHE C . 11267 1 1080 . 1 1 94 94 PHE CA C 13 56.256 0.300 . 1 . . . . 94 PHE CA . 11267 1 1081 . 1 1 94 94 PHE CB C 13 42.043 0.300 . 1 . . . . 94 PHE CB . 11267 1 1082 . 1 1 94 94 PHE CD1 C 13 131.884 0.300 . 1 . . . . 94 PHE CD1 . 11267 1 1083 . 1 1 94 94 PHE CD2 C 13 131.884 0.300 . 1 . . . . 94 PHE CD2 . 11267 1 1084 . 1 1 94 94 PHE CE1 C 13 131.184 0.300 . 1 . . . . 94 PHE CE1 . 11267 1 1085 . 1 1 94 94 PHE CE2 C 13 131.184 0.300 . 1 . . . . 94 PHE CE2 . 11267 1 1086 . 1 1 94 94 PHE CZ C 13 129.723 0.300 . 1 . . . . 94 PHE CZ . 11267 1 1087 . 1 1 94 94 PHE N N 15 124.613 0.300 . 1 . . . . 94 PHE N . 11267 1 1088 . 1 1 95 95 GLN H H 1 8.619 0.030 . 1 . . . . 95 GLN H . 11267 1 1089 . 1 1 95 95 GLN HA H 1 4.667 0.030 . 1 . . . . 95 GLN HA . 11267 1 1090 . 1 1 95 95 GLN HB2 H 1 1.973 0.030 . 2 . . . . 95 GLN HB2 . 11267 1 1091 . 1 1 95 95 GLN HB3 H 1 2.127 0.030 . 2 . . . . 95 GLN HB3 . 11267 1 1092 . 1 1 95 95 GLN HE21 H 1 6.776 0.030 . 2 . . . . 95 GLN HE21 . 11267 1 1093 . 1 1 95 95 GLN HE22 H 1 7.453 0.030 . 2 . . . . 95 GLN HE22 . 11267 1 1094 . 1 1 95 95 GLN HG2 H 1 2.374 0.030 . 2 . . . . 95 GLN HG2 . 11267 1 1095 . 1 1 95 95 GLN HG3 H 1 2.338 0.030 . 2 . . . . 95 GLN HG3 . 11267 1 1096 . 1 1 95 95 GLN C C 13 175.610 0.300 . 1 . . . . 95 GLN C . 11267 1 1097 . 1 1 95 95 GLN CA C 13 55.435 0.300 . 1 . . . . 95 GLN CA . 11267 1 1098 . 1 1 95 95 GLN CB C 13 30.112 0.300 . 1 . . . . 95 GLN CB . 11267 1 1099 . 1 1 95 95 GLN CG C 13 34.178 0.300 . 1 . . . . 95 GLN CG . 11267 1 1100 . 1 1 95 95 GLN N N 15 121.510 0.300 . 1 . . . . 95 GLN N . 11267 1 1101 . 1 1 95 95 GLN NE2 N 15 111.031 0.300 . 1 . . . . 95 GLN NE2 . 11267 1 1102 . 1 1 96 96 GLN H H 1 8.457 0.030 . 1 . . . . 96 GLN H . 11267 1 1103 . 1 1 96 96 GLN HA H 1 4.367 0.030 . 1 . . . . 96 GLN HA . 11267 1 1104 . 1 1 96 96 GLN HB2 H 1 1.923 0.030 . 2 . . . . 96 GLN HB2 . 11267 1 1105 . 1 1 96 96 GLN HB3 H 1 2.005 0.030 . 2 . . . . 96 GLN HB3 . 11267 1 1106 . 1 1 96 96 GLN HE21 H 1 6.830 0.030 . 2 . . . . 96 GLN HE21 . 11267 1 1107 . 1 1 96 96 GLN HE22 H 1 7.364 0.030 . 2 . . . . 96 GLN HE22 . 11267 1 1108 . 1 1 96 96 GLN HG2 H 1 2.282 0.030 . 1 . . . . 96 GLN HG2 . 11267 1 1109 . 1 1 96 96 GLN HG3 H 1 2.282 0.030 . 1 . . . . 96 GLN HG3 . 11267 1 1110 . 1 1 96 96 GLN C C 13 175.417 0.300 . 1 . . . . 96 GLN C . 11267 1 1111 . 1 1 96 96 GLN CA C 13 55.858 0.300 . 1 . . . . 96 GLN CA . 11267 1 1112 . 1 1 96 96 GLN CB C 13 29.886 0.300 . 1 . . . . 96 GLN CB . 11267 1 1113 . 1 1 96 96 GLN CG C 13 33.511 0.300 . 1 . . . . 96 GLN CG . 11267 1 1114 . 1 1 96 96 GLN N N 15 123.609 0.300 . 1 . . . . 96 GLN N . 11267 1 1115 . 1 1 96 96 GLN NE2 N 15 111.738 0.300 . 1 . . . . 96 GLN NE2 . 11267 1 1116 . 1 1 97 97 GLN H H 1 8.666 0.030 . 1 . . . . 97 GLN H . 11267 1 1117 . 1 1 97 97 GLN C C 13 176.174 0.300 . 1 . . . . 97 GLN C . 11267 1 1118 . 1 1 97 97 GLN CA C 13 55.862 0.300 . 1 . . . . 97 GLN CA . 11267 1 1119 . 1 1 97 97 GLN CB C 13 29.818 0.300 . 1 . . . . 97 GLN CB . 11267 1 1120 . 1 1 97 97 GLN N N 15 123.141 0.300 . 1 . . . . 97 GLN N . 11267 1 1121 . 1 1 98 98 THR HA H 1 4.442 0.030 . 1 . . . . 98 THR HA . 11267 1 1122 . 1 1 98 98 THR HB H 1 4.298 0.030 . 1 . . . . 98 THR HB . 11267 1 1123 . 1 1 98 98 THR HG21 H 1 1.222 0.030 . 1 . . . . 98 THR HG2 . 11267 1 1124 . 1 1 98 98 THR HG22 H 1 1.222 0.030 . 1 . . . . 98 THR HG2 . 11267 1 1125 . 1 1 98 98 THR HG23 H 1 1.222 0.030 . 1 . . . . 98 THR HG2 . 11267 1 1126 . 1 1 98 98 THR CA C 13 61.751 0.300 . 1 . . . . 98 THR CA . 11267 1 1127 . 1 1 98 98 THR CB C 13 70.014 0.300 . 1 . . . . 98 THR CB . 11267 1 1128 . 1 1 98 98 THR CG2 C 13 21.502 0.300 . 1 . . . . 98 THR CG2 . 11267 1 stop_ save_