data_15166 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15166 _Entry.Title ; Pac1-Rshort N-terminal EC domain Pacap(6-38) complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-08 _Entry.Accession_date 2007-03-08 _Entry.Last_release_date 2008-02-07 _Entry.Original_release_date 2008-02-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Edward Olejniczak . T. . 15166 2 Chaohong Sun . . . 15166 3 Danying Song . . . 15166 4 Rachel Davis-taber . A. . 15166 5 Leo Barrett . W. . 15166 6 Victoria Scott . E. . 15166 7 Paul Richardson . L. . 15166 8 Ana Pereda-lopez . . . 15166 9 Marie Uchic . E. . 15166 10 Larry Solomon . R. . 15166 11 Marc Lake . R. . 15166 12 Karl Walter . A. . 15166 13 Philip Hajduk . J. . 15166 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15166 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein/peptide complex' . 15166 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15166 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 15166 '15N chemical shifts' 83 15166 '1H chemical shifts' 512 15166 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 . . 2008-02-07 2007-03-08 original author . 15166 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOD 'BMRB Entry Tracking System' 15166 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15166 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17470806 _Citation.Full_citation . _Citation.Title 'Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 104 _Citation.Journal_issue 19 _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 7875 _Citation.Page_last 7880 _Citation.Year 2007 _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 Chaohong Sun . . . 15166 1 2 Danying Song . . . 15166 1 3 Rachel Davis-taber . A. . 15166 1 4 Leo Barrett . W. . 15166 1 5 Victoria Scott . E. . 15166 1 6 Paul Richardson . L. . 15166 1 7 Ana Pereda-lopez . . . 15166 1 8 Marie Uchic . E. . 15166 1 9 Larry Solomon . R. . 15166 1 10 Marc Lake . R. . 15166 1 11 Karl Walter . A. . 15166 1 12 Philip Hajduk . J. . 15166 1 13 Edward Olejniczak . T. . 15166 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15166 _Assembly.ID 1 _Assembly.Name pac1r/pacap _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'pac1r Nterm ec' 1 $pac1-R_N-terminal_EC_domain A . yes native no no . . . 15166 1 2 pacap(6-38) 2 $PACAP_(6-38) B . no native no no . . . 15166 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'pac1r Nterm ec' 1 CYS 18 18 SG . 1 'pac1r Nterm ec' 1 CYS 47 47 SG . . 34 34 SG . . 63 63 SG 15166 1 2 disulfide single . 1 'pac1r Nterm ec' 1 CYS 38 38 SG . 1 'pac1r Nterm ec' 1 CYS 81 81 SG . . 54 54 SG . . 97 97 SG 15166 1 3 disulfide single . 1 'pac1r Nterm ec' 1 CYS 61 61 SG . 1 'pac1r Nterm ec' 1 CYS 97 97 SG . . 77 77 SG . . 113 113 SG 15166 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pac1-R_N-terminal_EC_domain _Entity.Sf_category entity _Entity.Sf_framecode pac1-R_N-terminal_EC_domain _Entity.Entry_ID 15166 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pac1-R_N-terminal_EC_domain _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 ; MGSMAHSDGIFKKEQAMCLE KIQRANELMGFNDSSPGCPG MWDNITCWKPAHVGEMVLVS CPELFRIFNPDQDMGVVSRN CTEDGWSEPFPHYFDACGFD EYESET ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16015.379 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JOD . "Pac1-Rshort N-Terminal Ec Domain Pacap(6-38) Complex" . . . . . 100.00 106 100.00 100.00 4.97e-73 . . . . 15166 1 2 no PDB 3N94 . "Crystal Structure Of Human Pituitary Adenylate Cyclase 1 Receptor- Short N-Terminal Extracellular Domain" . . . . . 89.62 475 98.95 98.95 2.41e-65 . . . . 15166 1 3 no REF NP_001186566 . "pituitary adenylate cyclase-activating polypeptide type I receptor isoform 4 precursor [Homo sapiens]" . . . . . 95.28 447 99.01 99.01 9.97e-67 . . . . 15166 1 4 no REF XP_001166687 . "PREDICTED: pituitary adenylate cyclase-activating polypeptide type I receptor isoform X8 [Pan troglodytes]" . . . . . 95.28 447 99.01 99.01 9.97e-67 . . . . 15166 1 5 no REF XP_003833436 . "PREDICTED: pituitary adenylate cyclase-activating polypeptide type I receptor isoform X17 [Pan paniscus]" . . . . . 95.28 447 98.02 99.01 2.20e-66 . . . . 15166 1 6 no REF XP_004045318 . "PREDICTED: pituitary adenylate cyclase-activating polypeptide type I receptor isoform 2 [Gorilla gorilla gorilla]" . . . . . 95.28 447 99.01 99.01 9.97e-67 . . . . 15166 1 7 no REF XP_007979874 . "PREDICTED: pituitary adenylate cyclase-activating polypeptide type I receptor isoform X5 [Chlorocebus sabaeus]" . . . . . 94.34 581 98.00 98.00 6.32e-63 . . . . 15166 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 17 MET . 15166 1 2 18 GLY . 15166 1 3 19 SER . 15166 1 4 20 MET . 15166 1 5 21 ALA . 15166 1 6 22 HIS . 15166 1 7 23 SER . 15166 1 8 24 ASP . 15166 1 9 25 GLY . 15166 1 10 26 ILE . 15166 1 11 27 PHE . 15166 1 12 28 LYS . 15166 1 13 29 LYS . 15166 1 14 30 GLU . 15166 1 15 31 GLN . 15166 1 16 32 ALA . 15166 1 17 33 MET . 15166 1 18 34 CYS . 15166 1 19 35 LEU . 15166 1 20 36 GLU . 15166 1 21 37 LYS . 15166 1 22 38 ILE . 15166 1 23 39 GLN . 15166 1 24 40 ARG . 15166 1 25 41 ALA . 15166 1 26 42 ASN . 15166 1 27 43 GLU . 15166 1 28 44 LEU . 15166 1 29 45 MET . 15166 1 30 46 GLY . 15166 1 31 47 PHE . 15166 1 32 48 ASN . 15166 1 33 49 ASP . 15166 1 34 50 SER . 15166 1 35 51 SER . 15166 1 36 52 PRO . 15166 1 37 53 GLY . 15166 1 38 54 CYS . 15166 1 39 55 PRO . 15166 1 40 56 GLY . 15166 1 41 57 MET . 15166 1 42 58 TRP . 15166 1 43 59 ASP . 15166 1 44 60 ASN . 15166 1 45 61 ILE . 15166 1 46 62 THR . 15166 1 47 63 CYS . 15166 1 48 64 TRP . 15166 1 49 65 LYS . 15166 1 50 66 PRO . 15166 1 51 67 ALA . 15166 1 52 68 HIS . 15166 1 53 69 VAL . 15166 1 54 70 GLY . 15166 1 55 71 GLU . 15166 1 56 72 MET . 15166 1 57 73 VAL . 15166 1 58 74 LEU . 15166 1 59 75 VAL . 15166 1 60 76 SER . 15166 1 61 77 CYS . 15166 1 62 78 PRO . 15166 1 63 79 GLU . 15166 1 64 80 LEU . 15166 1 65 81 PHE . 15166 1 66 82 ARG . 15166 1 67 83 ILE . 15166 1 68 84 PHE . 15166 1 69 85 ASN . 15166 1 70 86 PRO . 15166 1 71 87 ASP . 15166 1 72 88 GLN . 15166 1 73 89 ASP . 15166 1 74 90 MET . 15166 1 75 91 GLY . 15166 1 76 92 VAL . 15166 1 77 93 VAL . 15166 1 78 94 SER . 15166 1 79 95 ARG . 15166 1 80 96 ASN . 15166 1 81 97 CYS . 15166 1 82 98 THR . 15166 1 83 99 GLU . 15166 1 84 100 ASP . 15166 1 85 101 GLY . 15166 1 86 102 TRP . 15166 1 87 103 SER . 15166 1 88 104 GLU . 15166 1 89 105 PRO . 15166 1 90 106 PHE . 15166 1 91 107 PRO . 15166 1 92 108 HIS . 15166 1 93 109 TYR . 15166 1 94 110 PHE . 15166 1 95 111 ASP . 15166 1 96 112 ALA . 15166 1 97 113 CYS . 15166 1 98 114 GLY . 15166 1 99 115 PHE . 15166 1 100 116 ASP . 15166 1 101 117 GLU . 15166 1 102 118 TYR . 15166 1 103 119 GLU . 15166 1 104 120 SER . 15166 1 105 121 GLU . 15166 1 106 122 THR . 15166 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15166 1 . GLY 2 2 15166 1 . SER 3 3 15166 1 . MET 4 4 15166 1 . ALA 5 5 15166 1 . HIS 6 6 15166 1 . SER 7 7 15166 1 . ASP 8 8 15166 1 . GLY 9 9 15166 1 . ILE 10 10 15166 1 . PHE 11 11 15166 1 . LYS 12 12 15166 1 . LYS 13 13 15166 1 . GLU 14 14 15166 1 . GLN 15 15 15166 1 . ALA 16 16 15166 1 . MET 17 17 15166 1 . CYS 18 18 15166 1 . LEU 19 19 15166 1 . GLU 20 20 15166 1 . LYS 21 21 15166 1 . ILE 22 22 15166 1 . GLN 23 23 15166 1 . ARG 24 24 15166 1 . ALA 25 25 15166 1 . ASN 26 26 15166 1 . GLU 27 27 15166 1 . LEU 28 28 15166 1 . MET 29 29 15166 1 . GLY 30 30 15166 1 . PHE 31 31 15166 1 . ASN 32 32 15166 1 . ASP 33 33 15166 1 . SER 34 34 15166 1 . SER 35 35 15166 1 . PRO 36 36 15166 1 . GLY 37 37 15166 1 . CYS 38 38 15166 1 . PRO 39 39 15166 1 . GLY 40 40 15166 1 . MET 41 41 15166 1 . TRP 42 42 15166 1 . ASP 43 43 15166 1 . ASN 44 44 15166 1 . ILE 45 45 15166 1 . THR 46 46 15166 1 . CYS 47 47 15166 1 . TRP 48 48 15166 1 . LYS 49 49 15166 1 . PRO 50 50 15166 1 . ALA 51 51 15166 1 . HIS 52 52 15166 1 . VAL 53 53 15166 1 . GLY 54 54 15166 1 . GLU 55 55 15166 1 . MET 56 56 15166 1 . VAL 57 57 15166 1 . LEU 58 58 15166 1 . VAL 59 59 15166 1 . SER 60 60 15166 1 . CYS 61 61 15166 1 . PRO 62 62 15166 1 . GLU 63 63 15166 1 . LEU 64 64 15166 1 . PHE 65 65 15166 1 . ARG 66 66 15166 1 . ILE 67 67 15166 1 . PHE 68 68 15166 1 . ASN 69 69 15166 1 . PRO 70 70 15166 1 . ASP 71 71 15166 1 . GLN 72 72 15166 1 . ASP 73 73 15166 1 . MET 74 74 15166 1 . GLY 75 75 15166 1 . VAL 76 76 15166 1 . VAL 77 77 15166 1 . SER 78 78 15166 1 . ARG 79 79 15166 1 . ASN 80 80 15166 1 . CYS 81 81 15166 1 . THR 82 82 15166 1 . GLU 83 83 15166 1 . ASP 84 84 15166 1 . GLY 85 85 15166 1 . TRP 86 86 15166 1 . SER 87 87 15166 1 . GLU 88 88 15166 1 . PRO 89 89 15166 1 . PHE 90 90 15166 1 . PRO 91 91 15166 1 . HIS 92 92 15166 1 . TYR 93 93 15166 1 . PHE 94 94 15166 1 . ASP 95 95 15166 1 . ALA 96 96 15166 1 . CYS 97 97 15166 1 . GLY 98 98 15166 1 . PHE 99 99 15166 1 . ASP 100 100 15166 1 . GLU 101 101 15166 1 . TYR 102 102 15166 1 . GLU 103 103 15166 1 . SER 104 104 15166 1 . GLU 105 105 15166 1 . THR 106 106 15166 1 stop_ save_ save_PACAP_(6-38) _Entity.Sf_category entity _Entity.Sf_framecode PACAP_(6-38) _Entity.Entry_ID 15166 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PACAP_(6-38) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID b _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FTDSYSRYRKQMAVKKYLAA VLGKRYKQRVKNK ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4036.852 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 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 11059 . PACAP27 . . . . . 63.64 27 100.00 100.00 2.04e-04 . . . . 15166 2 2 no PDB 2D2P . "The Solution Structure Of Micelle-Bound Peptide" . . . . . 100.00 39 100.00 100.00 7.76e-13 . . . . 15166 2 3 no PDB 2JOD . "Pac1-Rshort N-Terminal Ec Domain Pacap(6-38) Complex" . . . . . 100.00 33 100.00 100.00 1.05e-12 . . . . 15166 2 4 no DBJ BAA28355 . "PACAP ligand precursor [Mus musculus]" . . . . . 100.00 175 100.00 100.00 2.45e-12 . . . . 15166 2 5 no DBJ BAC37673 . "unnamed protein product [Mus musculus]" . . . . . 100.00 170 100.00 100.00 2.12e-12 . . . . 15166 2 6 no DBJ BAE22234 . "unnamed protein product [Mus musculus]" . . . . . 100.00 175 100.00 100.00 2.45e-12 . . . . 15166 2 7 no DBJ BAG35881 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 176 100.00 100.00 9.46e-13 . . . . 15166 2 8 no DBJ BAH11708 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 315 100.00 100.00 3.24e-12 . . . . 15166 2 9 no EMBL CAA42962 . "PACAP precursor [Homo sapiens]" . . . . . 100.00 176 100.00 100.00 9.46e-13 . . . . 15166 2 10 no EMBL CAA56564 . "pituitary adenylate cyclase activating polypeptide [Rattus rattus]" . . . . . 100.00 175 100.00 100.00 2.87e-12 . . . . 15166 2 11 no EMBL CAG29646 . "adenylate cyclase activating peptide, pituitary 1 [Sus scrofa]" . . . . . 100.00 176 100.00 100.00 2.34e-12 . . . . 15166 2 12 no EMBL CDQ56897 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 72.73 238 100.00 100.00 5.00e-06 . . . . 15166 2 13 no EMBL CDQ74600 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 72.73 200 100.00 100.00 4.99e-06 . . . . 15166 2 14 no GB AAA31575 . "pituitary adenylate cyclase activating polypeptide precursor [Ovis sp.]" . . . . . 100.00 176 100.00 100.00 1.88e-12 . . . . 15166 2 15 no GB AAA41791 . "pituitary adenylate cyclase activating polypeptide precursor protein [Rattus norvegicus]" . . . . . 100.00 175 100.00 100.00 2.55e-12 . . . . 15166 2 16 no GB AAB20402 . "pituitary adenylate cyclase-activating polypeptide, PACAP [Rana ridibunda=frogs, Peptide, 38 aa]" . . . . . 100.00 38 96.97 100.00 1.07e-12 . . . . 15166 2 17 no GB AAB21469 . "pituitary adenylate cyclase activating polypeptide [Ovis aries]" . . . . . 100.00 176 100.00 100.00 1.88e-12 . . . . 15166 2 18 no GB AAB21470 . "pituitary adenylate cyclase activating polypeptide [Homo sapiens]" . . . . . 100.00 176 100.00 100.00 9.46e-13 . . . . 15166 2 19 no REF NP_001001291 . "glucagon family neuropeptides precursor [Gallus gallus]" . . . . . 100.00 172 100.00 100.00 2.25e-12 . . . . 15166 2 20 no REF NP_001001544 . "pituitary adenylate cyclase-activating polypeptide precursor [Sus scrofa]" . . . . . 100.00 176 100.00 100.00 2.34e-12 . . . . 15166 2 21 no REF NP_001009776 . "pituitary adenylate cyclase-activating polypeptide precursor [Ovis aries]" . . . . . 100.00 176 100.00 100.00 1.88e-12 . . . . 15166 2 22 no REF NP_001040020 . "pituitary adenylate cyclase-activating polypeptide precursor [Bos taurus]" . . . . . 100.00 176 100.00 100.00 1.82e-12 . . . . 15166 2 23 no REF NP_001081947 . "adenylate cyclase activating polypeptide 1 (pituitary) precursor [Xenopus laevis]" . . . . . 100.00 171 96.97 100.00 3.24e-12 . . . . 15166 2 24 no SP O70176 . "RecName: Full=Pituitary adenylate cyclase-activating polypeptide; Short=PACAP; Contains: RecName: Full=PACAP-related peptide; A" . . . . . 100.00 175 100.00 100.00 2.45e-12 . . . . 15166 2 25 no SP P0DJ95 . "RecName: Full=Pituitary adenylate cyclase-activating polypeptide; Short=PACAP; Contains: RecName: Full=PACAP-related peptide; A" . . . . . 84.85 56 100.00 100.00 2.53e-09 . . . . 15166 2 26 no SP P13589 . "RecName: Full=Pituitary adenylate cyclase-activating polypeptide; Short=PACAP; Contains: RecName: Full=PACAP-related peptide; A" . . . . . 100.00 175 100.00 100.00 2.55e-12 . . . . 15166 2 27 no SP P16613 . "RecName: Full=Pituitary adenylate cyclase-activating polypeptide; Short=PACAP; Contains: RecName: Full=PACAP-related peptide; A" . . . . . 100.00 176 100.00 100.00 1.88e-12 . . . . 15166 2 28 no SP P18509 . "RecName: Full=Pituitary adenylate cyclase-activating polypeptide; Short=PACAP; Contains: RecName: Full=PACAP-related peptide; A" . . . . . 100.00 176 100.00 100.00 1.02e-12 . . . . 15166 2 29 no TPG DAA15829 . "TPA: pituitary adenylate cyclase-activating polypeptide [Bos taurus]" . . . . . 100.00 176 100.00 100.00 1.82e-12 . . . . 15166 2 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 . PHE . 15166 2 2 . THR . 15166 2 3 . ASP . 15166 2 4 . SER . 15166 2 5 . TYR . 15166 2 6 . SER . 15166 2 7 . ARG . 15166 2 8 . TYR . 15166 2 9 . ARG . 15166 2 10 . LYS . 15166 2 11 . GLN . 15166 2 12 . MET . 15166 2 13 . ALA . 15166 2 14 . VAL . 15166 2 15 . LYS . 15166 2 16 . LYS . 15166 2 17 . TYR . 15166 2 18 . LEU . 15166 2 19 . ALA . 15166 2 20 . ALA . 15166 2 21 . VAL . 15166 2 22 . LEU . 15166 2 23 . GLY . 15166 2 24 . LYS . 15166 2 25 . ARG . 15166 2 26 . TYR . 15166 2 27 . LYS . 15166 2 28 . GLN . 15166 2 29 . ARG . 15166 2 30 . VAL . 15166 2 31 . LYS . 15166 2 32 . ASN . 15166 2 33 . LYS . 15166 2 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 . PHE 1 1 15166 2 . THR 2 2 15166 2 . ASP 3 3 15166 2 . SER 4 4 15166 2 . TYR 5 5 15166 2 . SER 6 6 15166 2 . ARG 7 7 15166 2 . TYR 8 8 15166 2 . ARG 9 9 15166 2 . LYS 10 10 15166 2 . GLN 11 11 15166 2 . MET 12 12 15166 2 . ALA 13 13 15166 2 . VAL 14 14 15166 2 . LYS 15 15 15166 2 . LYS 16 16 15166 2 . TYR 17 17 15166 2 . LEU 18 18 15166 2 . ALA 19 19 15166 2 . ALA 20 20 15166 2 . VAL 21 21 15166 2 . LEU 22 22 15166 2 . GLY 23 23 15166 2 . LYS 24 24 15166 2 . ARG 25 25 15166 2 . TYR 26 26 15166 2 . LYS 27 27 15166 2 . GLN 28 28 15166 2 . ARG 29 29 15166 2 . VAL 30 30 15166 2 . LYS 31 31 15166 2 . ASN 32 32 15166 2 . LYS 33 33 15166 2 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 15166 _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 $pac1-R_N-terminal_EC_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15166 1 2 2 $PACAP_(6-38) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15166 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 15166 _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 $pac1-R_N-terminal_EC_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 15166 1 2 2 $PACAP_(6-38) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 15166 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15166 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'pac1-R N-terminal EC domain' '[U-100% 13C; U-100% 15N]' . . 1 $pac1-R_N-terminal_EC_domain . . . 0.5 1 mM . . . . 15166 1 2 'PACAP (6-38)' 'natural abundance' . . 2 $PACAP_(6-38) . . . 0.5 1 mM . . . . 15166 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15166 _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 . mM 15166 1 pH 7.0 . pH 15166 1 pressure 1 . atm 15166 1 temperature 298 . K 15166 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15166 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15166 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15166 1 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 15166 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15166 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 15166 _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 DRX . 500 . . . 15166 1 2 spectrometer_2 Bruker DRX . 800 . . . 15166 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 15166 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15166 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15166 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 15166 1 H 1 water protons . . . . ppm 4.74 internal direct 1 . . . . . . . . . 15166 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 116.3 external direct 1 . . . . . . . . . 15166 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY' . . . 15166 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 4 4 MET C C 13 175.3820 0.50 . 1 . . . . 20 MET C . 15166 1 2 . 1 1 4 4 MET CA C 13 55.5480 0.50 . 1 . . . . 20 MET CA . 15166 1 3 . 1 1 4 4 MET CB C 13 32.9110 0.50 . 1 . . . . 20 MET CB . 15166 1 4 . 1 1 5 5 ALA H H 1 8.2630 0.05 . 1 . . . . 21 ALA H . 15166 1 5 . 1 1 5 5 ALA HA H 1 4.2400 0.05 . 1 . . . . 21 ALA HA . 15166 1 6 . 1 1 5 5 ALA HB1 H 1 1.2380 0.05 . 1 . . . . 21 ALA HB . 15166 1 7 . 1 1 5 5 ALA HB2 H 1 1.2380 0.05 . 1 . . . . 21 ALA HB . 15166 1 8 . 1 1 5 5 ALA HB3 H 1 1.2380 0.05 . 1 . . . . 21 ALA HB . 15166 1 9 . 1 1 5 5 ALA C C 13 173.8960 0.50 . 1 . . . . 21 ALA C . 15166 1 10 . 1 1 5 5 ALA CA C 13 52.4590 0.50 . 1 . . . . 21 ALA CA . 15166 1 11 . 1 1 5 5 ALA CB C 13 19.2750 0.50 . 1 . . . . 21 ALA CB . 15166 1 12 . 1 1 5 5 ALA N N 15 124.5880 0.50 . 1 . . . . 21 ALA N . 15166 1 13 . 1 1 7 7 SER CA C 13 58.5600 0.50 . 1 . . . . 23 SER CA . 15166 1 14 . 1 1 7 7 SER CB C 13 63.8190 0.50 . 1 . . . . 23 SER CB . 15166 1 15 . 1 1 8 8 ASP H H 1 8.4310 0.05 . 1 . . . . 24 ASP H . 15166 1 16 . 1 1 8 8 ASP HB2 H 1 2.6750 0.05 . 2 . . . . 24 ASP HB2 . 15166 1 17 . 1 1 8 8 ASP C C 13 174.2070 0.50 . 1 . . . . 24 ASP C . 15166 1 18 . 1 1 8 8 ASP CA C 13 55.1950 0.50 . 1 . . . . 24 ASP CA . 15166 1 19 . 1 1 8 8 ASP CB C 13 41.2890 0.50 . 1 . . . . 24 ASP CB . 15166 1 20 . 1 1 8 8 ASP N N 15 122.1200 0.50 . 1 . . . . 24 ASP N . 15166 1 21 . 1 1 9 9 GLY H H 1 8.3630 0.05 . 1 . . . . 25 GLY H . 15166 1 22 . 1 1 9 9 GLY HA2 H 1 4.6980 0.05 . 2 . . . . 25 GLY HA2 . 15166 1 23 . 1 1 9 9 GLY HA3 H 1 3.9260 0.05 . 2 . . . . 25 GLY HA3 . 15166 1 24 . 1 1 9 9 GLY CA C 13 46.1480 0.50 . 1 . . . . 25 GLY CA . 15166 1 25 . 1 1 9 9 GLY N N 15 107.9150 0.50 . 1 . . . . 25 GLY N . 15166 1 26 . 1 1 10 10 ILE H H 1 7.8860 0.05 . 1 . . . . 26 ILE H . 15166 1 27 . 1 1 10 10 ILE HA H 1 3.9320 0.05 . 1 . . . . 26 ILE HA . 15166 1 28 . 1 1 10 10 ILE HB H 1 1.7080 0.05 . 1 . . . . 26 ILE HB . 15166 1 29 . 1 1 10 10 ILE HG12 H 1 0.9976 0.05 . 1 . . . . 26 ILE HG12 . 15166 1 30 . 1 1 10 10 ILE HG13 H 1 1.2240 0.05 . 2 . . . . 26 ILE HG13 . 15166 1 31 . 1 1 10 10 ILE HG21 H 1 0.3718 0.05 . 1 . . . . 26 ILE HG2 . 15166 1 32 . 1 1 10 10 ILE HG22 H 1 0.3718 0.05 . 1 . . . . 26 ILE HG2 . 15166 1 33 . 1 1 10 10 ILE HG23 H 1 0.3718 0.05 . 1 . . . . 26 ILE HG2 . 15166 1 34 . 1 1 10 10 ILE HD11 H 1 0.7069 0.05 . 1 . . . . 26 ILE HD1 . 15166 1 35 . 1 1 10 10 ILE HD12 H 1 0.7069 0.05 . 1 . . . . 26 ILE HD1 . 15166 1 36 . 1 1 10 10 ILE HD13 H 1 0.7069 0.05 . 1 . . . . 26 ILE HD1 . 15166 1 37 . 1 1 10 10 ILE C C 13 174.4840 0.50 . 1 . . . . 26 ILE C . 15166 1 38 . 1 1 10 10 ILE CA C 13 62.5540 0.50 . 1 . . . . 26 ILE CA . 15166 1 39 . 1 1 10 10 ILE CB C 13 38.1150 0.50 . 1 . . . . 26 ILE CB . 15166 1 40 . 1 1 10 10 ILE CG1 C 13 27.3800 0.50 . 1 . . . . 26 ILE CG1 . 15166 1 41 . 1 1 10 10 ILE CG2 C 13 16.8380 0.50 . 1 . . . . 26 ILE CG2 . 15166 1 42 . 1 1 10 10 ILE CD1 C 13 13.7210 0.50 . 1 . . . . 26 ILE CD1 . 15166 1 43 . 1 1 10 10 ILE N N 15 120.2310 0.50 . 1 . . . . 26 ILE N . 15166 1 44 . 1 1 11 11 PHE H H 1 8.2070 0.05 . 1 . . . . 27 PHE H . 15166 1 45 . 1 1 11 11 PHE HA H 1 4.5820 0.05 . 1 . . . . 27 PHE HA . 15166 1 46 . 1 1 11 11 PHE HB2 H 1 3.3419 0.05 . 2 . . . . 27 PHE HB2 . 15166 1 47 . 1 1 11 11 PHE HB3 H 1 3.0845 0.05 . 2 . . . . 27 PHE HB3 . 15166 1 48 . 1 1 11 11 PHE HD1 H 1 7.2565 0.05 . 1 . . . . 27 PHE HD1 . 15166 1 49 . 1 1 11 11 PHE HD2 H 1 7.2565 0.05 . 1 . . . . 27 PHE HD2 . 15166 1 50 . 1 1 11 11 PHE HE1 H 1 7.1410 0.05 . 1 . . . . 27 PHE HE1 . 15166 1 51 . 1 1 11 11 PHE HE2 H 1 7.1410 0.05 . 1 . . . . 27 PHE HE2 . 15166 1 52 . 1 1 11 11 PHE C C 13 175.3210 0.50 . 1 . . . . 27 PHE C . 15166 1 53 . 1 1 11 11 PHE CA C 13 59.1600 0.50 . 1 . . . . 27 PHE CA . 15166 1 54 . 1 1 11 11 PHE CB C 13 38.8250 0.50 . 1 . . . . 27 PHE CB . 15166 1 55 . 1 1 11 11 PHE CD1 C 13 131.5320 0.50 . 1 . . . . 27 PHE CD1 . 15166 1 56 . 1 1 11 11 PHE CD2 C 13 131.5320 0.50 . 1 . . . . 27 PHE CD2 . 15166 1 57 . 1 1 11 11 PHE CE1 C 13 131.0826 0.50 . 1 . . . . 27 PHE CE1 . 15166 1 58 . 1 1 11 11 PHE CE2 C 13 131.0826 0.50 . 1 . . . . 27 PHE CE2 . 15166 1 59 . 1 1 11 11 PHE N N 15 120.9500 0.50 . 1 . . . . 27 PHE N . 15166 1 60 . 1 1 13 13 LYS H H 1 8.1460 0.05 . 1 . . . . 29 LYS H . 15166 1 61 . 1 1 13 13 LYS HA H 1 3.9910 0.05 . 1 . . . . 29 LYS HA . 15166 1 62 . 1 1 13 13 LYS HB2 H 1 1.8310 0.05 . 2 . . . . 29 LYS HB2 . 15166 1 63 . 1 1 13 13 LYS HG2 H 1 1.4290 0.05 . 2 . . . . 29 LYS HG2 . 15166 1 64 . 1 1 13 13 LYS HG3 H 1 1.3282 0.05 . 2 . . . . 29 LYS HG3 . 15166 1 65 . 1 1 13 13 LYS HD2 H 1 1.6630 0.05 . 2 . . . . 29 LYS HD2 . 15166 1 66 . 1 1 13 13 LYS C C 13 172.8020 0.50 . 1 . . . . 29 LYS C . 15166 1 67 . 1 1 13 13 LYS CA C 13 58.6710 0.50 . 1 . . . . 29 LYS CA . 15166 1 68 . 1 1 13 13 LYS CB C 13 31.9700 0.50 . 1 . . . . 29 LYS CB . 15166 1 69 . 1 1 13 13 LYS CG C 13 24.7190 0.50 . 1 . . . . 29 LYS CG . 15166 1 70 . 1 1 13 13 LYS CD C 13 28.9780 0.50 . 1 . . . . 29 LYS CD . 15166 1 71 . 1 1 13 13 LYS CE C 13 41.7690 0.50 . 1 . . . . 29 LYS CE . 15166 1 72 . 1 1 13 13 LYS N N 15 121.3160 0.50 . 1 . . . . 29 LYS N . 15166 1 73 . 1 1 14 14 GLU H H 1 8.5640 0.05 . 1 . . . . 30 GLU H . 15166 1 74 . 1 1 14 14 GLU HA H 1 3.8025 0.05 . 1 . . . . 30 GLU HA . 15166 1 75 . 1 1 14 14 GLU HB2 H 1 2.0080 0.05 . 2 . . . . 30 GLU HB2 . 15166 1 76 . 1 1 14 14 GLU HB3 H 1 2.2950 0.05 . 2 . . . . 30 GLU HB3 . 15166 1 77 . 1 1 14 14 GLU HG2 H 1 2.4040 0.05 . 2 . . . . 30 GLU HG2 . 15166 1 78 . 1 1 14 14 GLU C C 13 172.4470 0.50 . 1 . . . . 30 GLU C . 15166 1 79 . 1 1 14 14 GLU CA C 13 60.2190 0.50 . 1 . . . . 30 GLU CA . 15166 1 80 . 1 1 14 14 GLU CB C 13 28.8760 0.50 . 1 . . . . 30 GLU CB . 15166 1 81 . 1 1 14 14 GLU N N 15 119.8530 0.50 . 1 . . . . 30 GLU N . 15166 1 82 . 1 1 15 15 GLN H H 1 7.8240 0.05 . 1 . . . . 31 GLN H . 15166 1 83 . 1 1 15 15 GLN C C 13 174.2510 0.50 . 1 . . . . 31 GLN C . 15166 1 84 . 1 1 15 15 GLN CA C 13 58.7010 0.50 . 1 . . . . 31 GLN CA . 15166 1 85 . 1 1 15 15 GLN CB C 13 28.2050 0.50 . 1 . . . . 31 GLN CB . 15166 1 86 . 1 1 15 15 GLN CG C 13 32.6140 0.50 . 1 . . . . 31 GLN CG . 15166 1 87 . 1 1 15 15 GLN N N 15 121.4070 0.50 . 1 . . . . 31 GLN N . 15166 1 88 . 1 1 16 16 ALA H H 1 7.4610 0.05 . 1 . . . . 32 ALA H . 15166 1 89 . 1 1 16 16 ALA HA H 1 3.8340 0.05 . 1 . . . . 32 ALA HA . 15166 1 90 . 1 1 16 16 ALA HB1 H 1 1.3740 0.05 . 1 . . . . 32 ALA HB . 15166 1 91 . 1 1 16 16 ALA HB2 H 1 1.3740 0.05 . 1 . . . . 32 ALA HB . 15166 1 92 . 1 1 16 16 ALA HB3 H 1 1.3740 0.05 . 1 . . . . 32 ALA HB . 15166 1 93 . 1 1 16 16 ALA C C 13 170.4040 0.50 . 1 . . . . 32 ALA C . 15166 1 94 . 1 1 16 16 ALA CA C 13 55.0060 0.50 . 1 . . . . 32 ALA CA . 15166 1 95 . 1 1 16 16 ALA CB C 13 17.5010 0.50 . 1 . . . . 32 ALA CB . 15166 1 96 . 1 1 16 16 ALA N N 15 120.5540 0.50 . 1 . . . . 32 ALA N . 15166 1 97 . 1 1 17 17 MET H H 1 7.9740 0.05 . 1 . . . . 33 MET H . 15166 1 98 . 1 1 17 17 MET HA H 1 4.1760 0.05 . 1 . . . . 33 MET HA . 15166 1 99 . 1 1 17 17 MET HB2 H 1 2.0310 0.05 . 2 . . . . 33 MET HB2 . 15166 1 100 . 1 1 17 17 MET HG2 H 1 2.6750 0.05 . 2 . . . . 33 MET HG2 . 15166 1 101 . 1 1 17 17 MET HG3 H 1 2.5180 0.05 . 2 . . . . 33 MET HG3 . 15166 1 102 . 1 1 17 17 MET C C 13 172.5720 0.50 . 1 . . . . 33 MET C . 15166 1 103 . 1 1 17 17 MET CA C 13 58.4350 0.50 . 1 . . . . 33 MET CA . 15166 1 104 . 1 1 17 17 MET CB C 13 32.8330 0.50 . 1 . . . . 33 MET CB . 15166 1 105 . 1 1 17 17 MET CG C 13 31.8530 0.50 . 1 . . . . 33 MET CG . 15166 1 106 . 1 1 17 17 MET N N 15 116.5620 0.50 . 1 . . . . 33 MET N . 15166 1 107 . 1 1 18 18 CYS H H 1 7.8830 0.05 . 1 . . . . 34 CYS H . 15166 1 108 . 1 1 18 18 CYS HA H 1 4.5651 0.05 . 1 . . . . 34 CYS HA . 15166 1 109 . 1 1 18 18 CYS HB2 H 1 3.3979 0.05 . 2 . . . . 34 CYS HB2 . 15166 1 110 . 1 1 18 18 CYS HB3 H 1 2.9245 0.05 . 2 . . . . 34 CYS HB3 . 15166 1 111 . 1 1 18 18 CYS C C 13 175.4520 0.50 . 1 . . . . 34 CYS C . 15166 1 112 . 1 1 18 18 CYS CA C 13 57.8660 0.50 . 1 . . . . 34 CYS CA . 15166 1 113 . 1 1 18 18 CYS CB C 13 35.6480 0.50 . 1 . . . . 34 CYS CB . 15166 1 114 . 1 1 18 18 CYS N N 15 118.1470 0.50 . 1 . . . . 34 CYS N . 15166 1 115 . 1 1 19 19 LEU H H 1 8.1770 0.05 . 1 . . . . 35 LEU H . 15166 1 116 . 1 1 19 19 LEU HA H 1 3.9810 0.05 . 1 . . . . 35 LEU HA . 15166 1 117 . 1 1 19 19 LEU HB2 H 1 1.7140 0.05 . 2 . . . . 35 LEU HB2 . 15166 1 118 . 1 1 19 19 LEU HB3 H 1 1.4900 0.05 . 2 . . . . 35 LEU HB3 . 15166 1 119 . 1 1 19 19 LEU HG H 1 1.7920 0.05 . 1 . . . . 35 LEU HG . 15166 1 120 . 1 1 19 19 LEU HD11 H 1 0.8090 0.05 . 2 . . . . 35 LEU HD1 . 15166 1 121 . 1 1 19 19 LEU HD12 H 1 0.8090 0.05 . 2 . . . . 35 LEU HD1 . 15166 1 122 . 1 1 19 19 LEU HD13 H 1 0.8090 0.05 . 2 . . . . 35 LEU HD1 . 15166 1 123 . 1 1 19 19 LEU HD21 H 1 0.8933 0.05 . 2 . . . . 35 LEU HD2 . 15166 1 124 . 1 1 19 19 LEU HD22 H 1 0.8933 0.05 . 2 . . . . 35 LEU HD2 . 15166 1 125 . 1 1 19 19 LEU HD23 H 1 0.8933 0.05 . 2 . . . . 35 LEU HD2 . 15166 1 126 . 1 1 19 19 LEU C C 13 171.4790 0.50 . 1 . . . . 35 LEU C . 15166 1 127 . 1 1 19 19 LEU CA C 13 58.3010 0.50 . 1 . . . . 35 LEU CA . 15166 1 128 . 1 1 19 19 LEU CB C 13 40.1700 0.50 . 1 . . . . 35 LEU CB . 15166 1 129 . 1 1 19 19 LEU CG C 13 27.3850 0.50 . 1 . . . . 35 LEU CG . 15166 1 130 . 1 1 19 19 LEU CD1 C 13 24.6160 0.50 . 1 . . . . 35 LEU CD1 . 15166 1 131 . 1 1 19 19 LEU CD2 C 13 22.1830 0.50 . 1 . . . . 35 LEU CD2 . 15166 1 132 . 1 1 19 19 LEU N N 15 117.5130 0.50 . 1 . . . . 35 LEU N . 15166 1 133 . 1 1 20 20 GLU H H 1 7.5600 0.05 . 1 . . . . 36 GLU H . 15166 1 134 . 1 1 20 20 GLU HA H 1 4.0910 0.05 . 1 . . . . 36 GLU HA . 15166 1 135 . 1 1 20 20 GLU HB2 H 1 2.1600 0.05 . 2 . . . . 36 GLU HB2 . 15166 1 136 . 1 1 20 20 GLU HB3 H 1 2.1130 0.05 . 2 . . . . 36 GLU HB3 . 15166 1 137 . 1 1 20 20 GLU HG2 H 1 2.4430 0.05 . 2 . . . . 36 GLU HG2 . 15166 1 138 . 1 1 20 20 GLU C C 13 172.7310 0.50 . 1 . . . . 36 GLU C . 15166 1 139 . 1 1 20 20 GLU CA C 13 59.5850 0.50 . 1 . . . . 36 GLU CA . 15166 1 140 . 1 1 20 20 GLU CB C 13 29.4350 0.50 . 1 . . . . 36 GLU CB . 15166 1 141 . 1 1 20 20 GLU N N 15 118.1040 0.50 . 1 . . . . 36 GLU N . 15166 1 142 . 1 1 21 21 LYS H H 1 7.8330 0.05 . 1 . . . . 37 LYS H . 15166 1 143 . 1 1 21 21 LYS HA H 1 4.0660 0.05 . 1 . . . . 37 LYS HA . 15166 1 144 . 1 1 21 21 LYS HB2 H 1 2.0740 0.05 . 2 . . . . 37 LYS HB2 . 15166 1 145 . 1 1 21 21 LYS HG2 H 1 1.6250 0.05 . 2 . . . . 37 LYS HG2 . 15166 1 146 . 1 1 21 21 LYS HG3 H 1 1.4680 0.05 . 2 . . . . 37 LYS HG3 . 15166 1 147 . 1 1 21 21 LYS HD2 H 1 1.6610 0.05 . 2 . . . . 37 LYS HD2 . 15166 1 148 . 1 1 21 21 LYS C C 13 170.7370 0.50 . 1 . . . . 37 LYS C . 15166 1 149 . 1 1 21 21 LYS CA C 13 59.5850 0.50 . 1 . . . . 37 LYS CA . 15166 1 150 . 1 1 21 21 LYS CB C 13 32.4160 0.50 . 1 . . . . 37 LYS CB . 15166 1 151 . 1 1 21 21 LYS CG C 13 25.0840 0.50 . 1 . . . . 37 LYS CG . 15166 1 152 . 1 1 21 21 LYS CD C 13 29.2070 0.50 . 1 . . . . 37 LYS CD . 15166 1 153 . 1 1 21 21 LYS N N 15 119.6090 0.50 . 1 . . . . 37 LYS N . 15166 1 154 . 1 1 22 22 ILE H H 1 8.8760 0.05 . 1 . . . . 38 ILE H . 15166 1 155 . 1 1 22 22 ILE HA H 1 3.8190 0.05 . 1 . . . . 38 ILE HA . 15166 1 156 . 1 1 22 22 ILE HB H 1 1.9370 0.05 . 1 . . . . 38 ILE HB . 15166 1 157 . 1 1 22 22 ILE HG12 H 1 1.6998 0.05 . 1 . . . . 38 ILE HG12 . 15166 1 158 . 1 1 22 22 ILE HG13 H 1 1.2905 0.05 . 2 . . . . 38 ILE HG13 . 15166 1 159 . 1 1 22 22 ILE HG21 H 1 0.9602 0.05 . 1 . . . . 38 ILE HG2 . 15166 1 160 . 1 1 22 22 ILE HG22 H 1 0.9602 0.05 . 1 . . . . 38 ILE HG2 . 15166 1 161 . 1 1 22 22 ILE HG23 H 1 0.9602 0.05 . 1 . . . . 38 ILE HG2 . 15166 1 162 . 1 1 22 22 ILE HD11 H 1 0.8170 0.05 . 1 . . . . 38 ILE HD1 . 15166 1 163 . 1 1 22 22 ILE HD12 H 1 0.8170 0.05 . 1 . . . . 38 ILE HD1 . 15166 1 164 . 1 1 22 22 ILE HD13 H 1 0.8170 0.05 . 1 . . . . 38 ILE HD1 . 15166 1 165 . 1 1 22 22 ILE C C 13 174.0100 0.50 . 1 . . . . 38 ILE C . 15166 1 166 . 1 1 22 22 ILE CA C 13 64.8270 0.50 . 1 . . . . 38 ILE CA . 15166 1 167 . 1 1 22 22 ILE CB C 13 38.1260 0.50 . 1 . . . . 38 ILE CB . 15166 1 168 . 1 1 22 22 ILE CG1 C 13 28.0650 0.50 . 1 . . . . 38 ILE CG1 . 15166 1 169 . 1 1 22 22 ILE CG2 C 13 18.4720 0.50 . 1 . . . . 38 ILE CG2 . 15166 1 170 . 1 1 22 22 ILE CD1 C 13 14.0990 0.50 . 1 . . . . 38 ILE CD1 . 15166 1 171 . 1 1 22 22 ILE N N 15 118.1410 0.50 . 1 . . . . 38 ILE N . 15166 1 172 . 1 1 23 23 GLN H H 1 7.8980 0.05 . 1 . . . . 39 GLN H . 15166 1 173 . 1 1 23 23 GLN HA H 1 4.1137 0.05 . 1 . . . . 39 GLN HA . 15166 1 174 . 1 1 23 23 GLN HB2 H 1 2.1959 0.05 . 2 . . . . 39 GLN HB2 . 15166 1 175 . 1 1 23 23 GLN HB3 H 1 2.3068 0.05 . 2 . . . . 39 GLN HB3 . 15166 1 176 . 1 1 23 23 GLN HG2 H 1 2.4830 0.05 . 2 . . . . 39 GLN HG2 . 15166 1 177 . 1 1 23 23 GLN C C 13 172.4240 0.50 . 1 . . . . 39 GLN C . 15166 1 178 . 1 1 23 23 GLN CA C 13 59.4070 0.50 . 1 . . . . 39 GLN CA . 15166 1 179 . 1 1 23 23 GLN CB C 13 27.9820 0.50 . 1 . . . . 39 GLN CB . 15166 1 180 . 1 1 23 23 GLN CG C 13 33.8820 0.50 . 1 . . . . 39 GLN CG . 15166 1 181 . 1 1 23 23 GLN N N 15 120.5840 0.50 . 1 . . . . 39 GLN N . 15166 1 182 . 1 1 24 24 ARG H H 1 7.6340 0.05 . 1 . . . . 40 ARG H . 15166 1 183 . 1 1 24 24 ARG HA H 1 4.1850 0.05 . 1 . . . . 40 ARG HA . 15166 1 184 . 1 1 24 24 ARG HB2 H 1 1.9310 0.05 . 2 . . . . 40 ARG HB2 . 15166 1 185 . 1 1 24 24 ARG HG2 H 1 1.7640 0.05 . 2 . . . . 40 ARG HG2 . 15166 1 186 . 1 1 24 24 ARG HD2 H 1 3.2470 0.05 . 2 . . . . 40 ARG HD2 . 15166 1 187 . 1 1 24 24 ARG C C 13 172.7710 0.50 . 1 . . . . 40 ARG C . 15166 1 188 . 1 1 24 24 ARG CA C 13 57.9410 0.50 . 1 . . . . 40 ARG CA . 15166 1 189 . 1 1 24 24 ARG CB C 13 29.9720 0.50 . 1 . . . . 40 ARG CB . 15166 1 190 . 1 1 24 24 ARG CG C 13 26.8540 0.50 . 1 . . . . 40 ARG CG . 15166 1 191 . 1 1 24 24 ARG CD C 13 42.9110 0.50 . 1 . . . . 40 ARG CD . 15166 1 192 . 1 1 24 24 ARG N N 15 117.4160 0.50 . 1 . . . . 40 ARG N . 15166 1 193 . 1 1 25 25 ALA H H 1 7.9884 0.05 . 1 . . . . 41 ALA H . 15166 1 194 . 1 1 25 25 ALA HA H 1 4.1690 0.05 . 1 . . . . 41 ALA HA . 15166 1 195 . 1 1 25 25 ALA HB1 H 1 1.4690 0.05 . 1 . . . . 41 ALA HB . 15166 1 196 . 1 1 25 25 ALA HB2 H 1 1.4690 0.05 . 1 . . . . 41 ALA HB . 15166 1 197 . 1 1 25 25 ALA HB3 H 1 1.4690 0.05 . 1 . . . . 41 ALA HB . 15166 1 198 . 1 1 25 25 ALA C C 13 171.2310 0.50 . 1 . . . . 41 ALA C . 15166 1 199 . 1 1 25 25 ALA CA C 13 54.7770 0.50 . 1 . . . . 41 ALA CA . 15166 1 200 . 1 1 25 25 ALA CB C 13 18.5930 0.50 . 1 . . . . 41 ALA CB . 15166 1 201 . 1 1 25 25 ALA N N 15 121.3640 0.50 . 1 . . . . 41 ALA N . 15166 1 202 . 1 1 26 26 ASN H H 1 8.8278 0.05 . 1 . . . . 42 ASN H . 15166 1 203 . 1 1 26 26 ASN HA H 1 4.4515 0.05 . 1 . . . . 42 ASN HA . 15166 1 204 . 1 1 26 26 ASN HB2 H 1 3.0510 0.05 . 2 . . . . 42 ASN HB2 . 15166 1 205 . 1 1 26 26 ASN HB3 H 1 2.8870 0.05 . 2 . . . . 42 ASN HB3 . 15166 1 206 . 1 1 26 26 ASN C C 13 172.8590 0.50 . 1 . . . . 42 ASN C . 15166 1 207 . 1 1 26 26 ASN CA C 13 55.5370 0.50 . 1 . . . . 42 ASN CA . 15166 1 208 . 1 1 26 26 ASN CB C 13 37.6650 0.50 . 1 . . . . 42 ASN CB . 15166 1 209 . 1 1 26 26 ASN ND2 N 15 107.7520 0.50 . 1 . . . . 42 ASN ND2 . 15166 1 210 . 1 1 27 27 GLU H H 1 7.6800 0.05 . 1 . . . . 43 GLU H . 15166 1 211 . 1 1 27 27 GLU HA H 1 4.0770 0.05 . 1 . . . . 43 GLU HA . 15166 1 212 . 1 1 27 27 GLU HB2 H 1 2.1750 0.05 . 2 . . . . 43 GLU HB2 . 15166 1 213 . 1 1 27 27 GLU CA C 13 58.8310 0.50 . 1 . . . . 43 GLU CA . 15166 1 214 . 1 1 27 27 GLU CB C 13 29.6520 0.50 . 1 . . . . 43 GLU CB . 15166 1 215 . 1 1 27 27 GLU N N 15 119.5850 0.50 . 1 . . . . 43 GLU N . 15166 1 216 . 1 1 28 28 LEU H H 1 7.78 0.05 . 1 . . . . 44 LEU H . 15166 1 217 . 1 1 28 28 LEU HA H 1 4.2210 0.05 . 1 . . . . 44 LEU HA . 15166 1 218 . 1 1 28 28 LEU HB2 H 1 1.7920 0.05 . 2 . . . . 44 LEU HB2 . 15166 1 219 . 1 1 28 28 LEU HB3 H 1 1.6070 0.05 . 2 . . . . 44 LEU HB3 . 15166 1 220 . 1 1 28 28 LEU HG H 1 1.7410 0.05 . 1 . . . . 44 LEU HG . 15166 1 221 . 1 1 28 28 LEU HD11 H 1 0.8770 0.05 . 2 . . . . 44 LEU HD1 . 15166 1 222 . 1 1 28 28 LEU HD12 H 1 0.8770 0.05 . 2 . . . . 44 LEU HD1 . 15166 1 223 . 1 1 28 28 LEU HD13 H 1 0.8770 0.05 . 2 . . . . 44 LEU HD1 . 15166 1 224 . 1 1 28 28 LEU HD21 H 1 0.8920 0.05 . 2 . . . . 44 LEU HD2 . 15166 1 225 . 1 1 28 28 LEU HD22 H 1 0.8920 0.05 . 2 . . . . 44 LEU HD2 . 15166 1 226 . 1 1 28 28 LEU HD23 H 1 0.8920 0.05 . 2 . . . . 44 LEU HD2 . 15166 1 227 . 1 1 28 28 LEU C C 13 172.5350 0.50 . 1 . . . . 44 LEU C . 15166 1 228 . 1 1 28 28 LEU CA C 13 56.8820 0.50 . 1 . . . . 44 LEU CA . 15166 1 229 . 1 1 28 28 LEU CB C 13 42.2260 0.50 . 1 . . . . 44 LEU CB . 15166 1 230 . 1 1 28 28 LEU CG C 13 26.9230 0.50 . 1 . . . . 44 LEU CG . 15166 1 231 . 1 1 28 28 LEU CD1 C 13 23.2680 0.50 . 1 . . . . 44 LEU CD1 . 15166 1 232 . 1 1 28 28 LEU CD2 C 13 24.8210 0.50 . 1 . . . . 44 LEU CD2 . 15166 1 233 . 1 1 28 28 LEU N N 15 119.0000 0.50 . 1 . . . . 44 LEU N . 15166 1 234 . 1 1 29 29 MET H H 1 7.7680 0.05 . 1 . . . . 45 MET H . 15166 1 235 . 1 1 29 29 MET HA H 1 4.1990 0.05 . 1 . . . . 45 MET HA . 15166 1 236 . 1 1 29 29 MET HB2 H 1 1.7750 0.05 . 2 . . . . 45 MET HB2 . 15166 1 237 . 1 1 29 29 MET HB3 H 1 1.5760 0.05 . 2 . . . . 45 MET HB3 . 15166 1 238 . 1 1 29 29 MET HG2 H 1 2.4790 0.05 . 2 . . . . 45 MET HG2 . 15166 1 239 . 1 1 29 29 MET C C 13 174.2230 0.50 . 1 . . . . 45 MET C . 15166 1 240 . 1 1 29 29 MET CA C 13 56.1840 0.50 . 1 . . . . 45 MET CA . 15166 1 241 . 1 1 29 29 MET CB C 13 32.8170 0.50 . 1 . . . . 45 MET CB . 15166 1 242 . 1 1 29 29 MET CG C 13 32.2560 0.50 . 1 . . . . 45 MET CG . 15166 1 243 . 1 1 29 29 MET CE C 13 16.5670 0.50 . 1 . . . . 45 MET CE . 15166 1 244 . 1 1 29 29 MET N N 15 116.1970 0.50 . 1 . . . . 45 MET N . 15166 1 245 . 1 1 30 30 GLY H H 1 7.7400 0.05 . 1 . . . . 46 GLY H . 15166 1 246 . 1 1 30 30 GLY HA2 H 1 3.8640 0.05 . 2 . . . . 46 GLY HA2 . 15166 1 247 . 1 1 30 30 GLY C C 13 176.2130 0.50 . 1 . . . . 46 GLY C . 15166 1 248 . 1 1 30 30 GLY CA C 13 46.4420 0.50 . 1 . . . . 46 GLY CA . 15166 1 249 . 1 1 30 30 GLY N N 15 107.1780 0.50 . 1 . . . . 46 GLY N . 15166 1 250 . 1 1 31 31 PHE H H 1 8.0040 0.05 . 1 . . . . 47 PHE H . 15166 1 251 . 1 1 31 31 PHE HA H 1 4.6620 0.05 . 1 . . . . 47 PHE HA . 15166 1 252 . 1 1 31 31 PHE HB2 H 1 3.2100 0.05 . 2 . . . . 47 PHE HB2 . 15166 1 253 . 1 1 31 31 PHE HB3 H 1 2.9250 0.05 . 2 . . . . 47 PHE HB3 . 15166 1 254 . 1 1 31 31 PHE HD1 H 1 7.2080 0.05 . 1 . . . . 47 PHE HD1 . 15166 1 255 . 1 1 31 31 PHE HD2 H 1 7.2080 0.05 . 1 . . . . 47 PHE HD2 . 15166 1 256 . 1 1 31 31 PHE HE1 H 1 7.0577 0.05 . 1 . . . . 47 PHE HE1 . 15166 1 257 . 1 1 31 31 PHE HE2 H 1 7.0577 0.05 . 1 . . . . 47 PHE HE2 . 15166 1 258 . 1 1 31 31 PHE HZ H 1 6.8769 0.05 . 1 . . . . 47 PHE HZ . 15166 1 259 . 1 1 31 31 PHE CA C 13 57.9370 0.50 . 1 . . . . 47 PHE CA . 15166 1 260 . 1 1 31 31 PHE CB C 13 39.0290 0.50 . 1 . . . . 47 PHE CB . 15166 1 261 . 1 1 31 31 PHE CD1 C 13 131.2530 0.50 . 1 . . . . 47 PHE CD1 . 15166 1 262 . 1 1 31 31 PHE CD2 C 13 131.2530 0.50 . 1 . . . . 47 PHE CD2 . 15166 1 263 . 1 1 31 31 PHE CZ C 13 129.3632 0.50 . 1 . . . . 47 PHE CZ . 15166 1 264 . 1 1 31 31 PHE N N 15 119.0550 0.50 . 1 . . . . 47 PHE N . 15166 1 265 . 1 1 32 32 ASN H H 1 8.3100 0.05 . 1 . . . . 48 ASN H . 15166 1 266 . 1 1 32 32 ASN HA H 1 4.4230 0.05 . 1 . . . . 48 ASN HA . 15166 1 267 . 1 1 32 32 ASN HB2 H 1 2.8970 0.05 . 2 . . . . 48 ASN HB2 . 15166 1 268 . 1 1 32 32 ASN HB3 H 1 2.5610 0.05 . 2 . . . . 48 ASN HB3 . 15166 1 269 . 1 1 32 32 ASN C C 13 176.0960 0.50 . 1 . . . . 48 ASN C . 15166 1 270 . 1 1 32 32 ASN CA C 13 53.0890 0.50 . 1 . . . . 48 ASN CA . 15166 1 271 . 1 1 32 32 ASN CB C 13 38.9000 0.50 . 1 . . . . 48 ASN CB . 15166 1 272 . 1 1 32 32 ASN N N 15 118.9880 0.50 . 1 . . . . 48 ASN N . 15166 1 273 . 1 1 33 33 ASP H H 1 8.2690 0.05 . 1 . . . . 49 ASP H . 15166 1 274 . 1 1 33 33 ASP HA H 1 4.4710 0.05 . 1 . . . . 49 ASP HA . 15166 1 275 . 1 1 33 33 ASP HB2 H 1 2.6420 0.05 . 2 . . . . 49 ASP HB2 . 15166 1 276 . 1 1 33 33 ASP HB3 H 1 2.7318 0.05 . 2 . . . . 49 ASP HB3 . 15166 1 277 . 1 1 33 33 ASP C C 13 174.7040 0.50 . 1 . . . . 49 ASP C . 15166 1 278 . 1 1 33 33 ASP CA C 13 55.8540 0.50 . 1 . . . . 49 ASP CA . 15166 1 279 . 1 1 33 33 ASP CB C 13 40.7590 0.50 . 1 . . . . 49 ASP CB . 15166 1 280 . 1 1 33 33 ASP N N 15 118.4450 0.50 . 1 . . . . 49 ASP N . 15166 1 281 . 1 1 34 34 SER H H 1 8.1770 0.05 . 1 . . . . 50 SER H . 15166 1 282 . 1 1 34 34 SER HA H 1 4.4893 0.05 . 1 . . . . 50 SER HA . 15166 1 283 . 1 1 34 34 SER HB2 H 1 3.9144 0.05 . 2 . . . . 50 SER HB2 . 15166 1 284 . 1 1 34 34 SER C C 13 177.0280 0.50 . 1 . . . . 50 SER C . 15166 1 285 . 1 1 34 34 SER CA C 13 58.6710 0.50 . 1 . . . . 50 SER CA . 15166 1 286 . 1 1 34 34 SER CB C 13 63.4680 0.50 . 1 . . . . 50 SER CB . 15166 1 287 . 1 1 34 34 SER N N 15 113.3940 0.50 . 1 . . . . 50 SER N . 15166 1 288 . 1 1 35 35 SER H H 1 7.8360 0.05 . 1 . . . . 51 SER H . 15166 1 289 . 1 1 35 35 SER HA H 1 4.6990 0.05 . 1 . . . . 51 SER HA . 15166 1 290 . 1 1 35 35 SER HB2 H 1 3.7840 0.05 . 2 . . . . 51 SER HB2 . 15166 1 291 . 1 1 35 35 SER HB3 H 1 3.5760 0.05 . 2 . . . . 51 SER HB3 . 15166 1 292 . 1 1 35 35 SER CA C 13 56.3420 0.50 . 1 . . . . 51 SER CA . 15166 1 293 . 1 1 35 35 SER CB C 13 62.8280 0.50 . 1 . . . . 51 SER CB . 15166 1 294 . 1 1 35 35 SER N N 15 118.0250 0.50 . 1 . . . . 51 SER N . 15166 1 295 . 1 1 36 36 PRO HA H 1 4.5148 0.05 . 1 . . . . 52 PRO HA . 15166 1 296 . 1 1 36 36 PRO HB2 H 1 2.2010 0.05 . 2 . . . . 52 PRO HB2 . 15166 1 297 . 1 1 36 36 PRO HB3 H 1 1.8640 0.05 . 2 . . . . 52 PRO HB3 . 15166 1 298 . 1 1 36 36 PRO HG2 H 1 1.9806 0.05 . 2 . . . . 52 PRO HG2 . 15166 1 299 . 1 1 36 36 PRO HD2 H 1 3.6630 0.05 . 2 . . . . 52 PRO HD2 . 15166 1 300 . 1 1 36 36 PRO C C 13 174.2750 0.50 . 1 . . . . 52 PRO C . 15166 1 301 . 1 1 36 36 PRO CA C 13 62.8480 0.50 . 1 . . . . 52 PRO CA . 15166 1 302 . 1 1 36 36 PRO CB C 13 32.3700 0.50 . 1 . . . . 52 PRO CB . 15166 1 303 . 1 1 36 36 PRO CG C 13 27.4630 0.50 . 1 . . . . 52 PRO CG . 15166 1 304 . 1 1 36 36 PRO CD C 13 50.2150 0.50 . 1 . . . . 52 PRO CD . 15166 1 305 . 1 1 37 37 GLY H H 1 8.1320 0.05 . 1 . . . . 53 GLY H . 15166 1 306 . 1 1 37 37 GLY HA2 H 1 4.0480 0.05 . 2 . . . . 53 GLY HA2 . 15166 1 307 . 1 1 37 37 GLY HA3 H 1 3.6640 0.05 . 2 . . . . 53 GLY HA3 . 15166 1 308 . 1 1 37 37 GLY C C 13 179.2230 0.50 . 1 . . . . 53 GLY C . 15166 1 309 . 1 1 37 37 GLY CA C 13 45.5120 0.50 . 1 . . . . 53 GLY CA . 15166 1 310 . 1 1 37 37 GLY N N 15 108.3720 0.50 . 1 . . . . 53 GLY N . 15166 1 311 . 1 1 38 38 CYS H H 1 8.5410 0.05 . 1 . . . . 54 CYS H . 15166 1 312 . 1 1 38 38 CYS HA H 1 4.6380 0.05 . 1 . . . . 54 CYS HA . 15166 1 313 . 1 1 38 38 CYS HB2 H 1 1.2710 0.05 . 2 . . . . 54 CYS HB2 . 15166 1 314 . 1 1 38 38 CYS HB3 H 1 0.9420 0.05 . 2 . . . . 54 CYS HB3 . 15166 1 315 . 1 1 38 38 CYS C C 13 180.3950 0.50 . 1 . . . . 54 CYS C . 15166 1 316 . 1 1 38 38 CYS CA C 13 54.5600 0.50 . 1 . . . . 54 CYS CA . 15166 1 317 . 1 1 38 38 CYS CB C 13 40.2650 0.50 . 1 . . . . 54 CYS CB . 15166 1 318 . 1 1 38 38 CYS N N 15 119.0180 0.50 . 1 . . . . 54 CYS N . 15166 1 319 . 1 1 39 39 PRO HA H 1 4.3890 0.05 . 1 . . . . 55 PRO HA . 15166 1 320 . 1 1 39 39 PRO HB2 H 1 2.2950 0.05 . 2 . . . . 55 PRO HB2 . 15166 1 321 . 1 1 39 39 PRO HB3 H 1 2.0390 0.05 . 2 . . . . 55 PRO HB3 . 15166 1 322 . 1 1 39 39 PRO HG2 H 1 2.1350 0.05 . 2 . . . . 55 PRO HG2 . 15166 1 323 . 1 1 39 39 PRO HG3 H 1 1.9163 0.05 . 2 . . . . 55 PRO HG3 . 15166 1 324 . 1 1 39 39 PRO HD2 H 1 3.6240 0.05 . 2 . . . . 55 PRO HD2 . 15166 1 325 . 1 1 39 39 PRO C C 13 174.4010 0.50 . 1 . . . . 55 PRO C . 15166 1 326 . 1 1 39 39 PRO CA C 13 62.3020 0.50 . 1 . . . . 55 PRO CA . 15166 1 327 . 1 1 39 39 PRO CB C 13 31.9700 0.50 . 1 . . . . 55 PRO CB . 15166 1 328 . 1 1 39 39 PRO CG C 13 27.1520 0.50 . 1 . . . . 55 PRO CG . 15166 1 329 . 1 1 39 39 PRO CD C 13 50.5390 0.50 . 1 . . . . 55 PRO CD . 15166 1 330 . 1 1 40 40 GLY H H 1 9.3270 0.05 . 1 . . . . 56 GLY H . 15166 1 331 . 1 1 40 40 GLY HA2 H 1 4.5060 0.05 . 2 . . . . 56 GLY HA2 . 15166 1 332 . 1 1 40 40 GLY HA3 H 1 3.4730 0.05 . 2 . . . . 56 GLY HA3 . 15166 1 333 . 1 1 40 40 GLY C C 13 177.6730 0.50 . 1 . . . . 56 GLY C . 15166 1 334 . 1 1 40 40 GLY CA C 13 46.0890 0.50 . 1 . . . . 56 GLY CA . 15166 1 335 . 1 1 40 40 GLY N N 15 108.1650 0.50 . 1 . . . . 56 GLY N . 15166 1 336 . 1 1 41 41 MET H H 1 9.1770 0.05 . 1 . . . . 57 MET H . 15166 1 337 . 1 1 41 41 MET HA H 1 4.7860 0.05 . 1 . . . . 57 MET HA . 15166 1 338 . 1 1 41 41 MET HB2 H 1 2.2840 0.05 . 2 . . . . 57 MET HB2 . 15166 1 339 . 1 1 41 41 MET HB3 H 1 1.8770 0.05 . 2 . . . . 57 MET HB3 . 15166 1 340 . 1 1 41 41 MET HG2 H 1 2.3170 0.05 . 2 . . . . 57 MET HG2 . 15166 1 341 . 1 1 41 41 MET C C 13 178.7680 0.50 . 1 . . . . 57 MET C . 15166 1 342 . 1 1 41 41 MET CA C 13 55.3840 0.50 . 1 . . . . 57 MET CA . 15166 1 343 . 1 1 41 41 MET CB C 13 34.5230 0.50 . 1 . . . . 57 MET CB . 15166 1 344 . 1 1 41 41 MET CG C 13 31.2420 0.50 . 1 . . . . 57 MET CG . 15166 1 345 . 1 1 41 41 MET CE C 13 15.6590 0.50 . 1 . . . . 57 MET CE . 15166 1 346 . 1 1 41 41 MET N N 15 117.0990 0.50 . 1 . . . . 57 MET N . 15166 1 347 . 1 1 42 42 TRP H H 1 8.7160 0.05 . 1 . . . . 58 TRP H . 15166 1 348 . 1 1 42 42 TRP HA H 1 5.5410 0.05 . 1 . . . . 58 TRP HA . 15166 1 349 . 1 1 42 42 TRP HB2 H 1 3.2600 0.05 . 2 . . . . 58 TRP HB2 . 15166 1 350 . 1 1 42 42 TRP HB3 H 1 3.0650 0.05 . 2 . . . . 58 TRP HB3 . 15166 1 351 . 1 1 42 42 TRP HD1 H 1 7.2520 0.05 . 1 . . . . 58 TRP HD1 . 15166 1 352 . 1 1 42 42 TRP HE1 H 1 10.1200 0.05 . 1 . . . . 58 TRP HE1 . 15166 1 353 . 1 1 42 42 TRP HE3 H 1 7.5800 0.05 . 1 . . . . 58 TRP HE3 . 15166 1 354 . 1 1 42 42 TRP HZ2 H 1 7.1460 0.05 . 1 . . . . 58 TRP HZ2 . 15166 1 355 . 1 1 42 42 TRP HZ3 H 1 6.8970 0.05 . 1 . . . . 58 TRP HZ3 . 15166 1 356 . 1 1 42 42 TRP HH2 H 1 6.9770 0.05 . 1 . . . . 58 TRP HH2 . 15166 1 357 . 1 1 42 42 TRP C C 13 175.1600 0.50 . 1 . . . . 58 TRP C . 15166 1 358 . 1 1 42 42 TRP CA C 13 55.5600 0.50 . 1 . . . . 58 TRP CA . 15166 1 359 . 1 1 42 42 TRP CB C 13 32.3110 0.50 . 1 . . . . 58 TRP CB . 15166 1 360 . 1 1 42 42 TRP CD1 C 13 126.8120 0.50 . 1 . . . . 58 TRP CD1 . 15166 1 361 . 1 1 42 42 TRP CE3 C 13 121.4210 0.50 . 1 . . . . 58 TRP CE3 . 15166 1 362 . 1 1 42 42 TRP CZ2 C 13 113.8700 0.50 . 1 . . . . 58 TRP CZ2 . 15166 1 363 . 1 1 42 42 TRP CZ3 C 13 121.3607 0.50 . 1 . . . . 58 TRP CZ3 . 15166 1 364 . 1 1 42 42 TRP CH2 C 13 126.0270 0.50 . 1 . . . . 58 TRP CH2 . 15166 1 365 . 1 1 42 42 TRP N N 15 123.1250 0.50 . 1 . . . . 58 TRP N . 15166 1 366 . 1 1 42 42 TRP NE1 N 15 129.4000 0.50 . 1 . . . . 58 TRP NE1 . 15166 1 367 . 1 1 43 43 ASP H H 1 8.0400 0.05 . 1 . . . . 59 ASP H . 15166 1 368 . 1 1 43 43 ASP HA H 1 4.7656 0.05 . 1 . . . . 59 ASP HA . 15166 1 369 . 1 1 43 43 ASP HB2 H 1 2.9850 0.05 . 2 . . . . 59 ASP HB2 . 15166 1 370 . 1 1 43 43 ASP HB3 H 1 2.1040 0.05 . 2 . . . . 59 ASP HB3 . 15166 1 371 . 1 1 43 43 ASP C C 13 175.3850 0.50 . 1 . . . . 59 ASP C . 15166 1 372 . 1 1 43 43 ASP CA C 13 52.5130 0.50 . 1 . . . . 59 ASP CA . 15166 1 373 . 1 1 43 43 ASP CB C 13 41.1470 0.50 . 1 . . . . 59 ASP CB . 15166 1 374 . 1 1 43 43 ASP N N 15 127.2450 0.50 . 1 . . . . 59 ASP N . 15166 1 375 . 1 1 44 44 ASN HA H 1 3.9876 0.05 . 1 . . . . 60 ASN HA . 15166 1 376 . 1 1 44 44 ASN HB2 H 1 3.3774 0.05 . 2 . . . . 60 ASN HB2 . 15166 1 377 . 1 1 44 44 ASN HB3 H 1 2.7827 0.05 . 2 . . . . 60 ASN HB3 . 15166 1 378 . 1 1 44 44 ASN CA C 13 57.1640 0.50 . 1 . . . . 60 ASN CA . 15166 1 379 . 1 1 44 44 ASN CB C 13 37.8370 0.50 . 1 . . . . 60 ASN CB . 15166 1 380 . 1 1 45 45 ILE H H 1 7.7200 0.05 . 1 . . . . 61 ILE H . 15166 1 381 . 1 1 45 45 ILE HA H 1 3.7455 0.05 . 1 . . . . 61 ILE HA . 15166 1 382 . 1 1 45 45 ILE HB H 1 1.3247 0.05 . 1 . . . . 61 ILE HB . 15166 1 383 . 1 1 45 45 ILE HG12 H 1 0.5460 0.05 . 1 . . . . 61 ILE HG12 . 15166 1 384 . 1 1 45 45 ILE HG13 H 1 0.6970 0.05 . 2 . . . . 61 ILE HG13 . 15166 1 385 . 1 1 45 45 ILE HG21 H 1 0.1505 0.05 . 1 . . . . 61 ILE HG2 . 15166 1 386 . 1 1 45 45 ILE HG22 H 1 0.1505 0.05 . 1 . . . . 61 ILE HG2 . 15166 1 387 . 1 1 45 45 ILE HG23 H 1 0.1505 0.05 . 1 . . . . 61 ILE HG2 . 15166 1 388 . 1 1 45 45 ILE HD11 H 1 0.3235 0.05 . 1 . . . . 61 ILE HD1 . 15166 1 389 . 1 1 45 45 ILE HD12 H 1 0.3235 0.05 . 1 . . . . 61 ILE HD1 . 15166 1 390 . 1 1 45 45 ILE HD13 H 1 0.3235 0.05 . 1 . . . . 61 ILE HD1 . 15166 1 391 . 1 1 45 45 ILE CA C 13 60.8877 0.50 . 1 . . . . 61 ILE CA . 15166 1 392 . 1 1 45 45 ILE CB C 13 38.8870 0.50 . 1 . . . . 61 ILE CB . 15166 1 393 . 1 1 45 45 ILE CG1 C 13 26.9230 0.50 . 1 . . . . 61 ILE CG1 . 15166 1 394 . 1 1 45 45 ILE CG2 C 13 17.9120 0.50 . 1 . . . . 61 ILE CG2 . 15166 1 395 . 1 1 45 45 ILE CD1 C 13 10.0318 0.50 . 1 . . . . 61 ILE CD1 . 15166 1 396 . 1 1 45 45 ILE N N 15 118.5120 0.50 . 1 . . . . 61 ILE N . 15166 1 397 . 1 1 46 46 THR H H 1 8.5900 0.05 . 1 . . . . 62 THR H . 15166 1 398 . 1 1 46 46 THR HA H 1 4.1740 0.05 . 1 . . . . 62 THR HA . 15166 1 399 . 1 1 46 46 THR HB H 1 3.6481 0.05 . 1 . . . . 62 THR HB . 15166 1 400 . 1 1 46 46 THR HG21 H 1 0.8666 0.05 . 1 . . . . 62 THR HG2 . 15166 1 401 . 1 1 46 46 THR HG22 H 1 0.8666 0.05 . 1 . . . . 62 THR HG2 . 15166 1 402 . 1 1 46 46 THR HG23 H 1 0.8666 0.05 . 1 . . . . 62 THR HG2 . 15166 1 403 . 1 1 46 46 THR CA C 13 60.4990 0.50 . 1 . . . . 62 THR CA . 15166 1 404 . 1 1 46 46 THR CB C 13 70.8528 0.50 . 1 . . . . 62 THR CB . 15166 1 405 . 1 1 46 46 THR CG2 C 13 19.9870 0.50 . 1 . . . . 62 THR CG2 . 15166 1 406 . 1 1 46 46 THR N N 15 111.2000 0.50 . 1 . . . . 62 THR N . 15166 1 407 . 1 1 47 47 CYS H H 1 7.9390 0.05 . 1 . . . . 63 CYS H . 15166 1 408 . 1 1 47 47 CYS HA H 1 5.2840 0.05 . 1 . . . . 63 CYS HA . 15166 1 409 . 1 1 47 47 CYS HB2 H 1 3.1020 0.05 . 2 . . . . 63 CYS HB2 . 15166 1 410 . 1 1 47 47 CYS C C 13 177.6490 0.50 . 1 . . . . 63 CYS C . 15166 1 411 . 1 1 47 47 CYS CA C 13 54.7720 0.50 . 1 . . . . 63 CYS CA . 15166 1 412 . 1 1 47 47 CYS CB C 13 40.7710 0.50 . 1 . . . . 63 CYS CB . 15166 1 413 . 1 1 47 47 CYS N N 15 119.3530 0.50 . 1 . . . . 63 CYS N . 15166 1 414 . 1 1 48 48 TRP H H 1 9.3029 0.05 . 1 . . . . 64 TRP H . 15166 1 415 . 1 1 48 48 TRP HA H 1 4.1030 0.05 . 1 . . . . 64 TRP HA . 15166 1 416 . 1 1 48 48 TRP HB2 H 1 2.5940 0.05 . 2 . . . . 64 TRP HB2 . 15166 1 417 . 1 1 48 48 TRP HD1 H 1 6.7500 0.05 . 1 . . . . 64 TRP HD1 . 15166 1 418 . 1 1 48 48 TRP HE1 H 1 9.1830 0.05 . 1 . . . . 64 TRP HE1 . 15166 1 419 . 1 1 48 48 TRP HE3 H 1 6.9213 0.05 . 1 . . . . 64 TRP HE3 . 15166 1 420 . 1 1 48 48 TRP HZ2 H 1 7.1700 0.05 . 1 . . . . 64 TRP HZ2 . 15166 1 421 . 1 1 48 48 TRP HZ3 H 1 7.0800 0.05 . 1 . . . . 64 TRP HZ3 . 15166 1 422 . 1 1 48 48 TRP HH2 H 1 6.6905 0.05 . 1 . . . . 64 TRP HH2 . 15166 1 423 . 1 1 48 48 TRP C C 13 176.8290 0.50 . 1 . . . . 64 TRP C . 15166 1 424 . 1 1 48 48 TRP CA C 13 55.8540 0.50 . 1 . . . . 64 TRP CA . 15166 1 425 . 1 1 48 48 TRP CB C 13 28.7230 0.50 . 1 . . . . 64 TRP CB . 15166 1 426 . 1 1 48 48 TRP CD1 C 13 125.6450 0.50 . 1 . . . . 64 TRP CD1 . 15166 1 427 . 1 1 48 48 TRP CE3 C 13 119.4405 0.50 . 1 . . . . 64 TRP CE3 . 15166 1 428 . 1 1 48 48 TRP CZ2 C 13 113.2550 0.50 . 1 . . . . 64 TRP CZ2 . 15166 1 429 . 1 1 48 48 TRP CZ3 C 13 122.5478 0.50 . 1 . . . . 64 TRP CZ3 . 15166 1 430 . 1 1 48 48 TRP CH2 C 13 125.6400 0.50 . 1 . . . . 64 TRP CH2 . 15166 1 431 . 1 1 48 48 TRP NE1 N 15 128.4620 0.50 . 1 . . . . 64 TRP NE1 . 15166 1 432 . 1 1 49 49 LYS H H 1 7.9320 0.05 . 1 . . . . 65 LYS H . 15166 1 433 . 1 1 49 49 LYS HA H 1 4.4030 0.05 . 1 . . . . 65 LYS HA . 15166 1 434 . 1 1 49 49 LYS HB2 H 1 1.8830 0.05 . 2 . . . . 65 LYS HB2 . 15166 1 435 . 1 1 49 49 LYS HG2 H 1 1.5955 0.05 . 2 . . . . 65 LYS HG2 . 15166 1 436 . 1 1 49 49 LYS CA C 13 54.4660 0.50 . 1 . . . . 65 LYS CA . 15166 1 437 . 1 1 49 49 LYS CB C 13 30.6410 0.50 . 1 . . . . 65 LYS CB . 15166 1 438 . 1 1 49 49 LYS CG C 13 23.4460 0.50 . 1 . . . . 65 LYS CG . 15166 1 439 . 1 1 49 49 LYS N N 15 122.1570 0.50 . 1 . . . . 65 LYS N . 15166 1 440 . 1 1 50 50 PRO HA H 1 4.8154 0.05 . 1 . . . . 66 PRO HA . 15166 1 441 . 1 1 50 50 PRO HB2 H 1 2.4720 0.05 . 2 . . . . 66 PRO HB2 . 15166 1 442 . 1 1 50 50 PRO HB3 H 1 1.7708 0.05 . 2 . . . . 66 PRO HB3 . 15166 1 443 . 1 1 50 50 PRO HG2 H 1 2.0992 0.05 . 2 . . . . 66 PRO HG2 . 15166 1 444 . 1 1 50 50 PRO HD2 H 1 3.6829 0.05 . 2 . . . . 66 PRO HD2 . 15166 1 445 . 1 1 50 50 PRO HD3 H 1 3.5409 0.05 . 2 . . . . 66 PRO HD3 . 15166 1 446 . 1 1 50 50 PRO C C 13 174.6890 0.50 . 1 . . . . 66 PRO C . 15166 1 447 . 1 1 50 50 PRO CA C 13 62.5720 0.50 . 1 . . . . 66 PRO CA . 15166 1 448 . 1 1 50 50 PRO CB C 13 31.9820 0.50 . 1 . . . . 66 PRO CB . 15166 1 449 . 1 1 50 50 PRO CG C 13 27.9030 0.50 . 1 . . . . 66 PRO CG . 15166 1 450 . 1 1 50 50 PRO CD C 13 49.4217 0.50 . 1 . . . . 66 PRO CD . 15166 1 451 . 1 1 51 51 ALA H H 1 8.2740 0.05 . 1 . . . . 67 ALA H . 15166 1 452 . 1 1 51 51 ALA HA H 1 4.7210 0.05 . 1 . . . . 67 ALA HA . 15166 1 453 . 1 1 51 51 ALA HB1 H 1 1.1510 0.05 . 1 . . . . 67 ALA HB . 15166 1 454 . 1 1 51 51 ALA HB2 H 1 1.1510 0.05 . 1 . . . . 67 ALA HB . 15166 1 455 . 1 1 51 51 ALA HB3 H 1 1.1510 0.05 . 1 . . . . 67 ALA HB . 15166 1 456 . 1 1 51 51 ALA C C 13 175.4310 0.50 . 1 . . . . 67 ALA C . 15166 1 457 . 1 1 51 51 ALA CA C 13 50.1630 0.50 . 1 . . . . 67 ALA CA . 15166 1 458 . 1 1 51 51 ALA CB C 13 24.6520 0.50 . 1 . . . . 67 ALA CB . 15166 1 459 . 1 1 51 51 ALA N N 15 121.5590 0.50 . 1 . . . . 67 ALA N . 15166 1 460 . 1 1 52 52 HIS H H 1 8.5970 0.05 . 1 . . . . 68 HIS H . 15166 1 461 . 1 1 52 52 HIS HA H 1 4.6820 0.05 . 1 . . . . 68 HIS HA . 15166 1 462 . 1 1 52 52 HIS HB2 H 1 3.2560 0.05 . 2 . . . . 68 HIS HB2 . 15166 1 463 . 1 1 52 52 HIS HB3 H 1 2.8780 0.05 . 2 . . . . 68 HIS HB3 . 15166 1 464 . 1 1 52 52 HIS HD2 H 1 7.2519 0.05 . 1 . . . . 68 HIS HD2 . 15166 1 465 . 1 1 52 52 HIS C C 13 175.8800 0.50 . 1 . . . . 68 HIS C . 15166 1 466 . 1 1 52 52 HIS CA C 13 55.1370 0.50 . 1 . . . . 68 HIS CA . 15166 1 467 . 1 1 52 52 HIS CB C 13 30.6410 0.50 . 1 . . . . 68 HIS CB . 15166 1 468 . 1 1 52 52 HIS CD2 C 13 120.2738 0.50 . 1 . . . . 68 HIS CD2 . 15166 1 469 . 1 1 52 52 HIS N N 15 116.8180 0.50 . 1 . . . . 68 HIS N . 15166 1 470 . 1 1 53 53 VAL H H 1 8.3360 0.05 . 1 . . . . 69 VAL H . 15166 1 471 . 1 1 53 53 VAL HA H 1 3.2380 0.05 . 1 . . . . 69 VAL HA . 15166 1 472 . 1 1 53 53 VAL HB H 1 1.7920 0.05 . 1 . . . . 69 VAL HB . 15166 1 473 . 1 1 53 53 VAL HG11 H 1 0.7500 0.05 . 2 . . . . 69 VAL HG1 . 15166 1 474 . 1 1 53 53 VAL HG12 H 1 0.7500 0.05 . 2 . . . . 69 VAL HG1 . 15166 1 475 . 1 1 53 53 VAL HG13 H 1 0.7500 0.05 . 2 . . . . 69 VAL HG1 . 15166 1 476 . 1 1 53 53 VAL HG21 H 1 0.7810 0.05 . 2 . . . . 69 VAL HG2 . 15166 1 477 . 1 1 53 53 VAL HG22 H 1 0.7810 0.05 . 2 . . . . 69 VAL HG2 . 15166 1 478 . 1 1 53 53 VAL HG23 H 1 0.7810 0.05 . 2 . . . . 69 VAL HG2 . 15166 1 479 . 1 1 53 53 VAL C C 13 173.7340 0.50 . 1 . . . . 69 VAL C . 15166 1 480 . 1 1 53 53 VAL CA C 13 65.2950 0.50 . 1 . . . . 69 VAL CA . 15166 1 481 . 1 1 53 53 VAL CB C 13 30.8170 0.50 . 1 . . . . 69 VAL CB . 15166 1 482 . 1 1 53 53 VAL CG1 C 13 21.4640 0.50 . 1 . . . . 69 VAL CG1 . 15166 1 483 . 1 1 53 53 VAL CG2 C 13 22.2890 0.50 . 1 . . . . 69 VAL CG2 . 15166 1 484 . 1 1 53 53 VAL N N 15 120.9500 0.50 . 1 . . . . 69 VAL N . 15166 1 485 . 1 1 54 54 GLY H H 1 8.7200 0.05 . 1 . . . . 70 GLY H . 15166 1 486 . 1 1 54 54 GLY HA2 H 1 4.3520 0.05 . 2 . . . . 70 GLY HA2 . 15166 1 487 . 1 1 54 54 GLY HA3 H 1 3.6820 0.05 . 2 . . . . 70 GLY HA3 . 15166 1 488 . 1 1 54 54 GLY C C 13 177.0410 0.50 . 1 . . . . 70 GLY C . 15166 1 489 . 1 1 54 54 GLY CA C 13 44.7710 0.50 . 1 . . . . 70 GLY CA . 15166 1 490 . 1 1 54 54 GLY N N 15 116.0990 0.50 . 1 . . . . 70 GLY N . 15166 1 491 . 1 1 55 55 GLU H H 1 7.8130 0.05 . 1 . . . . 71 GLU H . 15166 1 492 . 1 1 55 55 GLU HA H 1 4.4134 0.05 . 1 . . . . 71 GLU HA . 15166 1 493 . 1 1 55 55 GLU HB2 H 1 2.3477 0.05 . 2 . . . . 71 GLU HB2 . 15166 1 494 . 1 1 55 55 GLU HB3 H 1 2.3357 0.05 . 2 . . . . 71 GLU HB3 . 15166 1 495 . 1 1 55 55 GLU HG2 H 1 2.2840 0.05 . 2 . . . . 71 GLU HG2 . 15166 1 496 . 1 1 55 55 GLU HG3 H 1 2.1996 0.05 . 2 . . . . 71 GLU HG3 . 15166 1 497 . 1 1 55 55 GLU C C 13 176.9250 0.50 . 1 . . . . 71 GLU C . 15166 1 498 . 1 1 55 55 GLU CA C 13 56.5250 0.50 . 1 . . . . 71 GLU CA . 15166 1 499 . 1 1 55 55 GLU CB C 13 31.9470 0.50 . 1 . . . . 71 GLU CB . 15166 1 500 . 1 1 55 55 GLU CG C 13 36.8730 0.50 . 1 . . . . 71 GLU CG . 15166 1 501 . 1 1 55 55 GLU N N 15 121.3100 0.50 . 1 . . . . 71 GLU N . 15166 1 502 . 1 1 56 56 MET H H 1 8.5070 0.05 . 1 . . . . 72 MET H . 15166 1 503 . 1 1 56 56 MET HA H 1 5.1680 0.05 . 1 . . . . 72 MET HA . 15166 1 504 . 1 1 56 56 MET HB2 H 1 2.1080 0.05 . 2 . . . . 72 MET HB2 . 15166 1 505 . 1 1 56 56 MET HG2 H 1 2.5870 0.05 . 2 . . . . 72 MET HG2 . 15166 1 506 . 1 1 56 56 MET HG3 H 1 2.3340 0.05 . 2 . . . . 72 MET HG3 . 15166 1 507 . 1 1 56 56 MET C C 13 175.8820 0.50 . 1 . . . . 72 MET C . 15166 1 508 . 1 1 56 56 MET CA C 13 54.7720 0.50 . 1 . . . . 72 MET CA . 15166 1 509 . 1 1 56 56 MET CB C 13 35.0030 0.50 . 1 . . . . 72 MET CB . 15166 1 510 . 1 1 56 56 MET CG C 13 31.8630 0.50 . 1 . . . . 72 MET CG . 15166 1 511 . 1 1 56 56 MET CE C 13 16.7740 0.50 . 1 . . . . 72 MET CE . 15166 1 512 . 1 1 56 56 MET N N 15 123.8870 0.50 . 1 . . . . 72 MET N . 15166 1 513 . 1 1 57 57 VAL H H 1 9.2330 0.05 . 1 . . . . 73 VAL H . 15166 1 514 . 1 1 57 57 VAL HA H 1 4.4580 0.05 . 1 . . . . 73 VAL HA . 15166 1 515 . 1 1 57 57 VAL HB H 1 2.4180 0.05 . 1 . . . . 73 VAL HB . 15166 1 516 . 1 1 57 57 VAL HG11 H 1 1.3240 0.05 . 2 . . . . 73 VAL HG1 . 15166 1 517 . 1 1 57 57 VAL HG12 H 1 1.3240 0.05 . 2 . . . . 73 VAL HG1 . 15166 1 518 . 1 1 57 57 VAL HG13 H 1 1.3240 0.05 . 2 . . . . 73 VAL HG1 . 15166 1 519 . 1 1 57 57 VAL HG21 H 1 1.2570 0.05 . 2 . . . . 73 VAL HG2 . 15166 1 520 . 1 1 57 57 VAL HG22 H 1 1.2570 0.05 . 2 . . . . 73 VAL HG2 . 15166 1 521 . 1 1 57 57 VAL HG23 H 1 1.2570 0.05 . 2 . . . . 73 VAL HG2 . 15166 1 522 . 1 1 57 57 VAL C C 13 177.9680 0.50 . 1 . . . . 73 VAL C . 15166 1 523 . 1 1 57 57 VAL CA C 13 62.0980 0.50 . 1 . . . . 73 VAL CA . 15166 1 524 . 1 1 57 57 VAL CB C 13 34.6890 0.50 . 1 . . . . 73 VAL CB . 15166 1 525 . 1 1 57 57 VAL CG1 C 13 22.5830 0.50 . 1 . . . . 73 VAL CG1 . 15166 1 526 . 1 1 57 57 VAL CG2 C 13 22.5940 0.50 . 1 . . . . 73 VAL CG2 . 15166 1 527 . 1 1 57 57 VAL N N 15 128.2930 0.50 . 1 . . . . 73 VAL N . 15166 1 528 . 1 1 58 58 LEU H H 1 8.3620 0.05 . 1 . . . . 74 LEU H . 15166 1 529 . 1 1 58 58 LEU HA H 1 5.3040 0.05 . 1 . . . . 74 LEU HA . 15166 1 530 . 1 1 58 58 LEU HB2 H 1 1.5560 0.05 . 2 . . . . 74 LEU HB2 . 15166 1 531 . 1 1 58 58 LEU HB3 H 1 1.3960 0.05 . 2 . . . . 74 LEU HB3 . 15166 1 532 . 1 1 58 58 LEU HG H 1 1.5740 0.05 . 1 . . . . 74 LEU HG . 15166 1 533 . 1 1 58 58 LEU HD11 H 1 0.8490 0.05 . 2 . . . . 74 LEU HD1 . 15166 1 534 . 1 1 58 58 LEU HD12 H 1 0.8490 0.05 . 2 . . . . 74 LEU HD1 . 15166 1 535 . 1 1 58 58 LEU HD13 H 1 0.8490 0.05 . 2 . . . . 74 LEU HD1 . 15166 1 536 . 1 1 58 58 LEU C C 13 174.3600 0.50 . 1 . . . . 74 LEU C . 15166 1 537 . 1 1 58 58 LEU CA C 13 53.8750 0.50 . 1 . . . . 74 LEU CA . 15166 1 538 . 1 1 58 58 LEU CB C 13 44.7840 0.50 . 1 . . . . 74 LEU CB . 15166 1 539 . 1 1 58 58 LEU CG C 13 27.6080 0.50 . 1 . . . . 74 LEU CG . 15166 1 540 . 1 1 58 58 LEU CD1 C 13 24.9470 0.50 . 1 . . . . 74 LEU CD1 . 15166 1 541 . 1 1 58 58 LEU N N 15 127.3910 0.50 . 1 . . . . 74 LEU N . 15166 1 542 . 1 1 59 59 VAL H H 1 9.1910 0.05 . 1 . . . . 75 VAL H . 15166 1 543 . 1 1 59 59 VAL HA H 1 4.4240 0.05 . 1 . . . . 75 VAL HA . 15166 1 544 . 1 1 59 59 VAL HB H 1 1.6988 0.05 . 1 . . . . 75 VAL HB . 15166 1 545 . 1 1 59 59 VAL HG11 H 1 0.1740 0.05 . 2 . . . . 75 VAL HG1 . 15166 1 546 . 1 1 59 59 VAL HG12 H 1 0.1740 0.05 . 2 . . . . 75 VAL HG1 . 15166 1 547 . 1 1 59 59 VAL HG13 H 1 0.1740 0.05 . 2 . . . . 75 VAL HG1 . 15166 1 548 . 1 1 59 59 VAL HG21 H 1 0.0070 0.05 . 2 . . . . 75 VAL HG2 . 15166 1 549 . 1 1 59 59 VAL HG22 H 1 0.0070 0.05 . 2 . . . . 75 VAL HG2 . 15166 1 550 . 1 1 59 59 VAL HG23 H 1 0.0070 0.05 . 2 . . . . 75 VAL HG2 . 15166 1 551 . 1 1 59 59 VAL CA C 13 59.2650 0.50 . 1 . . . . 75 VAL CA . 15166 1 552 . 1 1 59 59 VAL CB C 13 34.9170 0.50 . 1 . . . . 75 VAL CB . 15166 1 553 . 1 1 59 59 VAL CG1 C 13 19.7850 0.50 . 1 . . . . 75 VAL CG1 . 15166 1 554 . 1 1 59 59 VAL CG2 C 13 19.7850 0.50 . 1 . . . . 75 VAL CG2 . 15166 1 555 . 1 1 59 59 VAL N N 15 119.4880 0.50 . 1 . . . . 75 VAL N . 15166 1 556 . 1 1 60 60 SER H H 1 8.1160 0.05 . 1 . . . . 76 SER H . 15166 1 557 . 1 1 60 60 SER HA H 1 4.7954 0.05 . 1 . . . . 76 SER HA . 15166 1 558 . 1 1 60 60 SER HB2 H 1 3.8612 0.05 . 2 . . . . 76 SER HB2 . 15166 1 559 . 1 1 60 60 SER HB3 H 1 3.7147 0.05 . 2 . . . . 76 SER HB3 . 15166 1 560 . 1 1 60 60 SER CA C 13 57.7670 0.50 . 1 . . . . 76 SER CA . 15166 1 561 . 1 1 60 60 SER CB C 13 64.0880 0.50 . 1 . . . . 76 SER CB . 15166 1 562 . 1 1 60 60 SER N N 15 116.0750 0.50 . 1 . . . . 76 SER N . 15166 1 563 . 1 1 61 61 CYS HA H 1 5.0757 0.05 . 1 . . . . 77 CYS HA . 15166 1 564 . 1 1 61 61 CYS HB2 H 1 2.8182 0.05 . 2 . . . . 77 CYS HB2 . 15166 1 565 . 1 1 61 61 CYS HB3 H 1 2.6584 0.05 . 2 . . . . 77 CYS HB3 . 15166 1 566 . 1 1 61 61 CYS CA C 13 50.6611 0.50 . 1 . . . . 77 CYS CA . 15166 1 567 . 1 1 61 61 CYS CB C 13 39.2070 0.50 . 1 . . . . 77 CYS CB . 15166 1 568 . 1 1 62 62 PRO HA H 1 4.4993 0.05 . 1 . . . . 78 PRO HA . 15166 1 569 . 1 1 62 62 PRO HB2 H 1 2.2893 0.05 . 2 . . . . 78 PRO HB2 . 15166 1 570 . 1 1 62 62 PRO HG2 H 1 1.9660 0.05 . 2 . . . . 78 PRO HG2 . 15166 1 571 . 1 1 62 62 PRO HD2 H 1 3.7280 0.05 . 2 . . . . 78 PRO HD2 . 15166 1 572 . 1 1 62 62 PRO HD3 H 1 3.5638 0.05 . 2 . . . . 78 PRO HD3 . 15166 1 573 . 1 1 62 62 PRO CA C 13 64.2530 0.50 . 1 . . . . 78 PRO CA . 15166 1 574 . 1 1 62 62 PRO CB C 13 32.0702 0.50 . 1 . . . . 78 PRO CB . 15166 1 575 . 1 1 62 62 PRO CG C 13 26.9470 0.50 . 1 . . . . 78 PRO CG . 15166 1 576 . 1 1 62 62 PRO CD C 13 50.5680 0.50 . 1 . . . . 78 PRO CD . 15166 1 577 . 1 1 64 64 LEU HA H 1 4.0178 0.05 . 1 . . . . 80 LEU HA . 15166 1 578 . 1 1 64 64 LEU HB2 H 1 1.3570 0.05 . 2 . . . . 80 LEU HB2 . 15166 1 579 . 1 1 64 64 LEU HB3 H 1 1.5124 0.05 . 2 . . . . 80 LEU HB3 . 15166 1 580 . 1 1 64 64 LEU HG H 1 1.2820 0.05 . 1 . . . . 80 LEU HG . 15166 1 581 . 1 1 64 64 LEU HD11 H 1 0.6210 0.05 . 2 . . . . 80 LEU HD1 . 15166 1 582 . 1 1 64 64 LEU HD12 H 1 0.6210 0.05 . 2 . . . . 80 LEU HD1 . 15166 1 583 . 1 1 64 64 LEU HD13 H 1 0.6210 0.05 . 2 . . . . 80 LEU HD1 . 15166 1 584 . 1 1 64 64 LEU HD21 H 1 0.2117 0.05 . 2 . . . . 80 LEU HD2 . 15166 1 585 . 1 1 64 64 LEU HD22 H 1 0.2117 0.05 . 2 . . . . 80 LEU HD2 . 15166 1 586 . 1 1 64 64 LEU HD23 H 1 0.2117 0.05 . 2 . . . . 80 LEU HD2 . 15166 1 587 . 1 1 64 64 LEU CA C 13 56.7890 0.50 . 1 . . . . 80 LEU CA . 15166 1 588 . 1 1 64 64 LEU CB C 13 41.2140 0.50 . 1 . . . . 80 LEU CB . 15166 1 589 . 1 1 64 64 LEU CG C 13 26.6940 0.50 . 1 . . . . 80 LEU CG . 15166 1 590 . 1 1 64 64 LEU CD1 C 13 24.2850 0.50 . 1 . . . . 80 LEU CD1 . 15166 1 591 . 1 1 64 64 LEU CD2 C 13 24.5390 0.50 . 1 . . . . 80 LEU CD2 . 15166 1 592 . 1 1 67 67 ILE HA H 1 3.8691 0.05 . 1 . . . . 83 ILE HA . 15166 1 593 . 1 1 67 67 ILE HB H 1 1.7420 0.05 . 1 . . . . 83 ILE HB . 15166 1 594 . 1 1 67 67 ILE HG21 H 1 0.3873 0.05 . 1 . . . . 83 ILE HG2 . 15166 1 595 . 1 1 67 67 ILE HG22 H 1 0.3873 0.05 . 1 . . . . 83 ILE HG2 . 15166 1 596 . 1 1 67 67 ILE HG23 H 1 0.3873 0.05 . 1 . . . . 83 ILE HG2 . 15166 1 597 . 1 1 67 67 ILE HD11 H 1 0.7046 0.05 . 1 . . . . 83 ILE HD1 . 15166 1 598 . 1 1 67 67 ILE HD12 H 1 0.7046 0.05 . 1 . . . . 83 ILE HD1 . 15166 1 599 . 1 1 67 67 ILE HD13 H 1 0.7046 0.05 . 1 . . . . 83 ILE HD1 . 15166 1 600 . 1 1 67 67 ILE CA C 13 61.9720 0.50 . 1 . . . . 83 ILE CA . 15166 1 601 . 1 1 67 67 ILE CB C 13 38.2980 0.50 . 1 . . . . 83 ILE CB . 15166 1 602 . 1 1 67 67 ILE CG2 C 13 16.8380 0.50 . 1 . . . . 83 ILE CG2 . 15166 1 603 . 1 1 67 67 ILE CD1 C 13 13.7850 0.50 . 1 . . . . 83 ILE CD1 . 15166 1 604 . 1 1 69 69 ASN HA H 1 4.4250 0.05 . 1 . . . . 85 ASN HA . 15166 1 605 . 1 1 69 69 ASN HB2 H 1 3.0270 0.05 . 2 . . . . 85 ASN HB2 . 15166 1 606 . 1 1 69 69 ASN HB3 H 1 2.7880 0.05 . 2 . . . . 85 ASN HB3 . 15166 1 607 . 1 1 69 69 ASN CA C 13 55.9290 0.50 . 1 . . . . 85 ASN CA . 15166 1 608 . 1 1 69 69 ASN CB C 13 40.5600 0.50 . 1 . . . . 85 ASN CB . 15166 1 609 . 1 1 70 70 PRO HD2 H 1 3.6925 0.05 . 2 . . . . 86 PRO HD2 . 15166 1 610 . 1 1 70 70 PRO C C 13 174.3550 0.50 . 1 . . . . 86 PRO C . 15166 1 611 . 1 1 70 70 PRO CA C 13 64.2860 0.50 . 1 . . . . 86 PRO CA . 15166 1 612 . 1 1 70 70 PRO CB C 13 32.0880 0.50 . 1 . . . . 86 PRO CB . 15166 1 613 . 1 1 70 70 PRO CG C 13 27.0230 0.50 . 1 . . . . 86 PRO CG . 15166 1 614 . 1 1 70 70 PRO CD C 13 49.7420 0.50 . 1 . . . . 86 PRO CD . 15166 1 615 . 1 1 71 71 ASP H H 1 8.0960 0.05 . 1 . . . . 87 ASP H . 15166 1 616 . 1 1 71 71 ASP HA H 1 4.5740 0.05 . 1 . . . . 87 ASP HA . 15166 1 617 . 1 1 71 71 ASP HB2 H 1 2.7190 0.05 . 2 . . . . 87 ASP HB2 . 15166 1 618 . 1 1 71 71 ASP HB3 H 1 2.5940 0.05 . 2 . . . . 87 ASP HB3 . 15166 1 619 . 1 1 71 71 ASP C C 13 175.4750 0.50 . 1 . . . . 87 ASP C . 15166 1 620 . 1 1 71 71 ASP CA C 13 54.5360 0.50 . 1 . . . . 87 ASP CA . 15166 1 621 . 1 1 71 71 ASP CB C 13 40.9830 0.50 . 1 . . . . 87 ASP CB . 15166 1 622 . 1 1 71 71 ASP N N 15 116.8060 0.50 . 1 . . . . 87 ASP N . 15166 1 623 . 1 1 72 72 GLN H H 1 7.6580 0.05 . 1 . . . . 88 GLN H . 15166 1 624 . 1 1 72 72 GLN HA H 1 4.2980 0.05 . 1 . . . . 88 GLN HA . 15166 1 625 . 1 1 72 72 GLN HB2 H 1 2.2610 0.05 . 2 . . . . 88 GLN HB2 . 15166 1 626 . 1 1 72 72 GLN HB3 H 1 1.9770 0.05 . 2 . . . . 88 GLN HB3 . 15166 1 627 . 1 1 72 72 GLN C C 13 175.9830 0.50 . 1 . . . . 88 GLN C . 15166 1 628 . 1 1 72 72 GLN CA C 13 55.5840 0.50 . 1 . . . . 88 GLN CA . 15166 1 629 . 1 1 72 72 GLN CB C 13 30.0800 0.50 . 1 . . . . 88 GLN CB . 15166 1 630 . 1 1 72 72 GLN N N 15 118.7560 0.50 . 1 . . . . 88 GLN N . 15166 1 631 . 1 1 73 73 ASP H H 1 8.4170 0.05 . 1 . . . . 89 ASP H . 15166 1 632 . 1 1 73 73 ASP HA H 1 4.5910 0.05 . 1 . . . . 89 ASP HA . 15166 1 633 . 1 1 73 73 ASP HB2 H 1 2.6500 0.05 . 2 . . . . 89 ASP HB2 . 15166 1 634 . 1 1 73 73 ASP C C 13 175.2790 0.50 . 1 . . . . 89 ASP C . 15166 1 635 . 1 1 73 73 ASP CA C 13 54.5360 0.50 . 1 . . . . 89 ASP CA . 15166 1 636 . 1 1 73 73 ASP CB C 13 41.1710 0.50 . 1 . . . . 89 ASP CB . 15166 1 637 . 1 1 73 73 ASP N N 15 122.0470 0.50 . 1 . . . . 89 ASP N . 15166 1 638 . 1 1 74 74 MET H H 1 8.2580 0.05 . 1 . . . . 90 MET H . 15166 1 639 . 1 1 74 74 MET HA H 1 4.5510 0.05 . 1 . . . . 90 MET HA . 15166 1 640 . 1 1 74 74 MET HB2 H 1 2.0000 0.05 . 2 . . . . 90 MET HB2 . 15166 1 641 . 1 1 74 74 MET HG2 H 1 2.5500 0.05 . 2 . . . . 90 MET HG2 . 15166 1 642 . 1 1 74 74 MET C C 13 174.5720 0.50 . 1 . . . . 90 MET C . 15166 1 643 . 1 1 74 74 MET CA C 13 55.3370 0.50 . 1 . . . . 90 MET CA . 15166 1 644 . 1 1 74 74 MET CB C 13 33.6640 0.50 . 1 . . . . 90 MET CB . 15166 1 645 . 1 1 74 74 MET CG C 13 32.5360 0.50 . 1 . . . . 90 MET CG . 15166 1 646 . 1 1 74 74 MET CE C 13 17.1350 0.50 . 1 . . . . 90 MET CE . 15166 1 647 . 1 1 74 74 MET N N 15 120.3410 0.50 . 1 . . . . 90 MET N . 15166 1 648 . 1 1 75 75 GLY H H 1 8.2410 0.05 . 1 . . . . 91 GLY H . 15166 1 649 . 1 1 75 75 GLY HA2 H 1 3.9880 0.05 . 2 . . . . 91 GLY HA2 . 15166 1 650 . 1 1 75 75 GLY HA3 H 1 3.8100 0.05 . 2 . . . . 91 GLY HA3 . 15166 1 651 . 1 1 75 75 GLY C C 13 178.3380 0.50 . 1 . . . . 91 GLY C . 15166 1 652 . 1 1 75 75 GLY CA C 13 45.7480 0.50 . 1 . . . . 91 GLY CA . 15166 1 653 . 1 1 75 75 GLY N N 15 109.1340 0.50 . 1 . . . . 91 GLY N . 15166 1 654 . 1 1 76 76 VAL H H 1 7.6430 0.05 . 1 . . . . 92 VAL H . 15166 1 655 . 1 1 76 76 VAL HA H 1 4.7859 0.05 . 1 . . . . 92 VAL HA . 15166 1 656 . 1 1 76 76 VAL HB H 1 1.8669 0.05 . 1 . . . . 92 VAL HB . 15166 1 657 . 1 1 76 76 VAL HG11 H 1 0.7720 0.05 . 2 . . . . 92 VAL HG1 . 15166 1 658 . 1 1 76 76 VAL HG12 H 1 0.7720 0.05 . 2 . . . . 92 VAL HG1 . 15166 1 659 . 1 1 76 76 VAL HG13 H 1 0.7720 0.05 . 2 . . . . 92 VAL HG1 . 15166 1 660 . 1 1 76 76 VAL HG21 H 1 0.8050 0.05 . 2 . . . . 92 VAL HG2 . 15166 1 661 . 1 1 76 76 VAL HG22 H 1 0.8050 0.05 . 2 . . . . 92 VAL HG2 . 15166 1 662 . 1 1 76 76 VAL HG23 H 1 0.8050 0.05 . 2 . . . . 92 VAL HG2 . 15166 1 663 . 1 1 76 76 VAL C C 13 177.0230 0.50 . 1 . . . . 92 VAL C . 15166 1 664 . 1 1 76 76 VAL CA C 13 60.0420 0.50 . 1 . . . . 92 VAL CA . 15166 1 665 . 1 1 76 76 VAL CB C 13 35.6020 0.50 . 1 . . . . 92 VAL CB . 15166 1 666 . 1 1 76 76 VAL CG1 C 13 19.8420 0.50 . 1 . . . . 92 VAL CG1 . 15166 1 667 . 1 1 76 76 VAL CG2 C 13 21.6690 0.50 . 1 . . . . 92 VAL CG2 . 15166 1 668 . 1 1 76 76 VAL N N 15 117.2880 0.50 . 1 . . . . 92 VAL N . 15166 1 669 . 1 1 77 77 VAL H H 1 8.7310 0.05 . 1 . . . . 93 VAL H . 15166 1 670 . 1 1 77 77 VAL HA H 1 4.2520 0.05 . 1 . . . . 93 VAL HA . 15166 1 671 . 1 1 77 77 VAL HB H 1 1.6810 0.05 . 1 . . . . 93 VAL HB . 15166 1 672 . 1 1 77 77 VAL HG11 H 1 0.6260 0.05 . 2 . . . . 93 VAL HG1 . 15166 1 673 . 1 1 77 77 VAL HG12 H 1 0.6260 0.05 . 2 . . . . 93 VAL HG1 . 15166 1 674 . 1 1 77 77 VAL HG13 H 1 0.6260 0.05 . 2 . . . . 93 VAL HG1 . 15166 1 675 . 1 1 77 77 VAL HG21 H 1 0.6300 0.05 . 2 . . . . 93 VAL HG2 . 15166 1 676 . 1 1 77 77 VAL HG22 H 1 0.6300 0.05 . 2 . . . . 93 VAL HG2 . 15166 1 677 . 1 1 77 77 VAL HG23 H 1 0.6300 0.05 . 2 . . . . 93 VAL HG2 . 15166 1 678 . 1 1 77 77 VAL C C 13 177.7220 0.50 . 1 . . . . 93 VAL C . 15166 1 679 . 1 1 77 77 VAL CA C 13 60.9440 0.50 . 1 . . . . 93 VAL CA . 15166 1 680 . 1 1 77 77 VAL CB C 13 35.1110 0.50 . 1 . . . . 93 VAL CB . 15166 1 681 . 1 1 77 77 VAL CG1 C 13 21.0070 0.50 . 1 . . . . 93 VAL CG1 . 15166 1 682 . 1 1 77 77 VAL CG2 C 13 21.3300 0.50 . 1 . . . . 93 VAL CG2 . 15166 1 683 . 1 1 77 77 VAL N N 15 122.1690 0.50 . 1 . . . . 93 VAL N . 15166 1 684 . 1 1 78 78 SER H H 1 8.3350 0.05 . 1 . . . . 94 SER H . 15166 1 685 . 1 1 78 78 SER HA H 1 6.2479 0.05 . 1 . . . . 94 SER HA . 15166 1 686 . 1 1 78 78 SER HB2 H 1 3.6560 0.05 . 2 . . . . 94 SER HB2 . 15166 1 687 . 1 1 78 78 SER HB3 H 1 3.4970 0.05 . 2 . . . . 94 SER HB3 . 15166 1 688 . 1 1 78 78 SER C C 13 177.6570 0.50 . 1 . . . . 94 SER C . 15166 1 689 . 1 1 78 78 SER CA C 13 56.3010 0.50 . 1 . . . . 94 SER CA . 15166 1 690 . 1 1 78 78 SER CB C 13 67.8080 0.50 . 1 . . . . 94 SER CB . 15166 1 691 . 1 1 78 78 SER N N 15 118.5120 0.50 . 1 . . . . 94 SER N . 15166 1 692 . 1 1 79 79 ARG H H 1 8.7030 0.05 . 1 . . . . 95 ARG H . 15166 1 693 . 1 1 79 79 ARG HA H 1 4.2410 0.05 . 1 . . . . 95 ARG HA . 15166 1 694 . 1 1 79 79 ARG HB2 H 1 1.4670 0.05 . 2 . . . . 95 ARG HB2 . 15166 1 695 . 1 1 79 79 ARG HB3 H 1 0.8543 0.05 . 2 . . . . 95 ARG HB3 . 15166 1 696 . 1 1 79 79 ARG HG2 H 1 0.8500 0.05 . 2 . . . . 95 ARG HG2 . 15166 1 697 . 1 1 79 79 ARG HG3 H 1 0.4530 0.05 . 2 . . . . 95 ARG HG3 . 15166 1 698 . 1 1 79 79 ARG HD2 H 1 1.7400 0.05 . 2 . . . . 95 ARG HD2 . 15166 1 699 . 1 1 79 79 ARG HD3 H 1 -0.2130 0.05 . 2 . . . . 95 ARG HD3 . 15166 1 700 . 1 1 79 79 ARG C C 13 176.5880 0.50 . 1 . . . . 95 ARG C . 15166 1 701 . 1 1 79 79 ARG CA C 13 56.1720 0.50 . 1 . . . . 95 ARG CA . 15166 1 702 . 1 1 79 79 ARG CB C 13 36.9120 0.50 . 1 . . . . 95 ARG CB . 15166 1 703 . 1 1 79 79 ARG CG C 13 30.0470 0.50 . 1 . . . . 95 ARG CG . 15166 1 704 . 1 1 79 79 ARG CD C 13 43.5660 0.50 . 1 . . . . 95 ARG CD . 15166 1 705 . 1 1 79 79 ARG NE N 15 115.3200 0.50 . 1 . . . . 95 ARG NE . 15166 1 706 . 1 1 80 80 ASN H H 1 8.9410 0.05 . 1 . . . . 96 ASN H . 15166 1 707 . 1 1 80 80 ASN HA H 1 5.4770 0.05 . 1 . . . . 96 ASN HA . 15166 1 708 . 1 1 80 80 ASN HB2 H 1 2.5960 0.05 . 2 . . . . 96 ASN HB2 . 15166 1 709 . 1 1 80 80 ASN C C 13 176.8120 0.50 . 1 . . . . 96 ASN C . 15166 1 710 . 1 1 80 80 ASN CA C 13 51.8770 0.50 . 1 . . . . 96 ASN CA . 15166 1 711 . 1 1 80 80 ASN CB C 13 40.9360 0.50 . 1 . . . . 96 ASN CB . 15166 1 712 . 1 1 80 80 ASN N N 15 117.7450 0.50 . 1 . . . . 96 ASN N . 15166 1 713 . 1 1 81 81 CYS H H 1 8.8600 0.05 . 1 . . . . 97 CYS H . 15166 1 714 . 1 1 81 81 CYS HA H 1 4.7180 0.05 . 1 . . . . 97 CYS HA . 15166 1 715 . 1 1 81 81 CYS HB2 H 1 2.7650 0.05 . 2 . . . . 97 CYS HB2 . 15166 1 716 . 1 1 81 81 CYS HB3 H 1 1.8440 0.05 . 2 . . . . 97 CYS HB3 . 15166 1 717 . 1 1 81 81 CYS C C 13 177.0440 0.50 . 1 . . . . 97 CYS C . 15166 1 718 . 1 1 81 81 CYS CA C 13 54.3360 0.50 . 1 . . . . 97 CYS CA . 15166 1 719 . 1 1 81 81 CYS CB C 13 37.3940 0.50 . 1 . . . . 97 CYS CB . 15166 1 720 . 1 1 81 81 CYS N N 15 121.0720 0.50 . 1 . . . . 97 CYS N . 15166 1 721 . 1 1 82 82 THR H H 1 7.8790 0.05 . 1 . . . . 98 THR H . 15166 1 722 . 1 1 82 82 THR HA H 1 4.9650 0.05 . 1 . . . . 98 THR HA . 15166 1 723 . 1 1 82 82 THR HB H 1 4.5846 0.05 . 1 . . . . 98 THR HB . 15166 1 724 . 1 1 82 82 THR HG21 H 1 1.1480 0.05 . 1 . . . . 98 THR HG2 . 15166 1 725 . 1 1 82 82 THR HG22 H 1 1.1480 0.05 . 1 . . . . 98 THR HG2 . 15166 1 726 . 1 1 82 82 THR HG23 H 1 1.1480 0.05 . 1 . . . . 98 THR HG2 . 15166 1 727 . 1 1 82 82 THR C C 13 175.9130 0.50 . 1 . . . . 98 THR C . 15166 1 728 . 1 1 82 82 THR CA C 13 59.8820 0.50 . 1 . . . . 98 THR CA . 15166 1 729 . 1 1 82 82 THR CB C 13 72.4228 0.50 . 1 . . . . 98 THR CB . 15166 1 730 . 1 1 82 82 THR CG2 C 13 20.5270 0.50 . 1 . . . . 98 THR CG2 . 15166 1 731 . 1 1 82 82 THR N N 15 122.0470 0.50 . 1 . . . . 98 THR N . 15166 1 732 . 1 1 83 83 GLU H H 1 9.6040 0.05 . 1 . . . . 99 GLU H . 15166 1 733 . 1 1 83 83 GLU HA H 1 3.8900 0.05 . 1 . . . . 99 GLU HA . 15166 1 734 . 1 1 83 83 GLU HB2 H 1 1.9950 0.05 . 2 . . . . 99 GLU HB2 . 15166 1 735 . 1 1 83 83 GLU HG2 H 1 2.3157 0.05 . 2 . . . . 99 GLU HG2 . 15166 1 736 . 1 1 83 83 GLU C C 13 175.2270 0.50 . 1 . . . . 99 GLU C . 15166 1 737 . 1 1 83 83 GLU CA C 13 59.4660 0.50 . 1 . . . . 99 GLU CA . 15166 1 738 . 1 1 83 83 GLU CB C 13 29.0520 0.50 . 1 . . . . 99 GLU CB . 15166 1 739 . 1 1 83 83 GLU CG C 13 36.2090 0.50 . 1 . . . . 99 GLU CG . 15166 1 740 . 1 1 83 83 GLU N N 15 120.7060 0.50 . 1 . . . . 99 GLU N . 15166 1 741 . 1 1 84 84 ASP H H 1 7.8460 0.05 . 1 . . . . 100 ASP H . 15166 1 742 . 1 1 84 84 ASP HA H 1 4.7870 0.05 . 1 . . . . 100 ASP HA . 15166 1 743 . 1 1 84 84 ASP HB2 H 1 2.7630 0.05 . 2 . . . . 100 ASP HB2 . 15166 1 744 . 1 1 84 84 ASP HB3 H 1 2.1950 0.05 . 2 . . . . 100 ASP HB3 . 15166 1 745 . 1 1 84 84 ASP C C 13 176.1610 0.50 . 1 . . . . 100 ASP C . 15166 1 746 . 1 1 84 84 ASP CA C 13 53.9600 0.50 . 1 . . . . 100 ASP CA . 15166 1 747 . 1 1 84 84 ASP CB C 13 42.0060 0.50 . 1 . . . . 100 ASP CB . 15166 1 748 . 1 1 84 84 ASP N N 15 116.1240 0.50 . 1 . . . . 100 ASP N . 15166 1 749 . 1 1 85 85 GLY H H 1 7.4850 0.05 . 1 . . . . 101 GLY H . 15166 1 750 . 1 1 85 85 GLY HA2 H 1 4.5160 0.05 . 2 . . . . 101 GLY HA2 . 15166 1 751 . 1 1 85 85 GLY HA3 H 1 3.5840 0.05 . 2 . . . . 101 GLY HA3 . 15166 1 752 . 1 1 85 85 GLY C C 13 175.7550 0.50 . 1 . . . . 101 GLY C . 15166 1 753 . 1 1 85 85 GLY CA C 13 43.7590 0.50 . 1 . . . . 101 GLY CA . 15166 1 754 . 1 1 85 85 GLY N N 15 108.0310 0.50 . 1 . . . . 101 GLY N . 15166 1 755 . 1 1 86 86 TRP H H 1 8.7200 0.05 . 1 . . . . 102 TRP H . 15166 1 756 . 1 1 86 86 TRP HA H 1 4.8940 0.05 . 1 . . . . 102 TRP HA . 15166 1 757 . 1 1 86 86 TRP HB2 H 1 3.0530 0.05 . 2 . . . . 102 TRP HB2 . 15166 1 758 . 1 1 86 86 TRP HB3 H 1 2.8710 0.05 . 2 . . . . 102 TRP HB3 . 15166 1 759 . 1 1 86 86 TRP HD1 H 1 7.1790 0.05 . 1 . . . . 102 TRP HD1 . 15166 1 760 . 1 1 86 86 TRP HE1 H 1 10.4300 0.05 . 1 . . . . 102 TRP HE1 . 15166 1 761 . 1 1 86 86 TRP HE3 H 1 7.0544 0.05 . 1 . . . . 102 TRP HE3 . 15166 1 762 . 1 1 86 86 TRP HZ2 H 1 7.7202 0.05 . 1 . . . . 102 TRP HZ2 . 15166 1 763 . 1 1 86 86 TRP HZ3 H 1 6.6801 0.05 . 1 . . . . 102 TRP HZ3 . 15166 1 764 . 1 1 86 86 TRP HH2 H 1 7.5400 0.05 . 1 . . . . 102 TRP HH2 . 15166 1 765 . 1 1 86 86 TRP C C 13 172.6180 0.50 . 1 . . . . 102 TRP C . 15166 1 766 . 1 1 86 86 TRP CA C 13 57.8600 0.50 . 1 . . . . 102 TRP CA . 15166 1 767 . 1 1 86 86 TRP CB C 13 30.8930 0.50 . 1 . . . . 102 TRP CB . 15166 1 768 . 1 1 86 86 TRP CD1 C 13 126.0367 0.50 . 1 . . . . 102 TRP CD1 . 15166 1 769 . 1 1 86 86 TRP CE3 C 13 119.4109 0.50 . 1 . . . . 102 TRP CE3 . 15166 1 770 . 1 1 86 86 TRP CZ2 C 13 116.5500 0.50 . 1 . . . . 102 TRP CZ2 . 15166 1 771 . 1 1 86 86 TRP CZ3 C 13 120.4803 0.50 . 1 . . . . 102 TRP CZ3 . 15166 1 772 . 1 1 86 86 TRP CH2 C 13 125.7800 0.50 . 1 . . . . 102 TRP CH2 . 15166 1 773 . 1 1 86 86 TRP N N 15 123.5090 0.50 . 1 . . . . 102 TRP N . 15166 1 774 . 1 1 86 86 TRP NE1 N 15 128.1400 0.50 . 1 . . . . 102 TRP NE1 . 15166 1 775 . 1 1 87 87 SER H H 1 9.3890 0.05 . 1 . . . . 103 SER H . 15166 1 776 . 1 1 87 87 SER HA H 1 4.5470 0.05 . 1 . . . . 103 SER HA . 15166 1 777 . 1 1 87 87 SER HB2 H 1 4.5047 0.05 . 2 . . . . 103 SER HB2 . 15166 1 778 . 1 1 87 87 SER HB3 H 1 4.0564 0.05 . 2 . . . . 103 SER HB3 . 15166 1 779 . 1 1 87 87 SER C C 13 177.7990 0.50 . 1 . . . . 103 SER C . 15166 1 780 . 1 1 87 87 SER CA C 13 58.0660 0.50 . 1 . . . . 103 SER CA . 15166 1 781 . 1 1 87 87 SER CB C 13 65.4410 0.50 . 1 . . . . 103 SER CB . 15166 1 782 . 1 1 87 87 SER N N 15 119.0850 0.50 . 1 . . . . 103 SER N . 15166 1 783 . 1 1 88 88 GLU H H 1 8.4810 0.05 . 1 . . . . 104 GLU H . 15166 1 784 . 1 1 88 88 GLU HA H 1 4.2590 0.05 . 1 . . . . 104 GLU HA . 15166 1 785 . 1 1 88 88 GLU HB2 H 1 1.9200 0.05 . 2 . . . . 104 GLU HB2 . 15166 1 786 . 1 1 88 88 GLU HB3 H 1 2.0730 0.05 . 2 . . . . 104 GLU HB3 . 15166 1 787 . 1 1 88 88 GLU HG2 H 1 2.4010 0.05 . 2 . . . . 104 GLU HG2 . 15166 1 788 . 1 1 88 88 GLU C C 13 177.2910 0.50 . 1 . . . . 104 GLU C . 15166 1 789 . 1 1 88 88 GLU CA C 13 55.3130 0.50 . 1 . . . . 104 GLU CA . 15166 1 790 . 1 1 88 88 GLU CB C 13 28.3820 0.50 . 1 . . . . 104 GLU CB . 15166 1 791 . 1 1 88 88 GLU CG C 13 36.0470 0.50 . 1 . . . . 104 GLU CG . 15166 1 792 . 1 1 88 88 GLU N N 15 118.6470 0.50 . 1 . . . . 104 GLU N . 15166 1 793 . 1 1 89 89 PRO HA H 1 4.6650 0.05 . 1 . . . . 105 PRO HA . 15166 1 794 . 1 1 89 89 PRO HB2 H 1 1.5110 0.05 . 2 . . . . 105 PRO HB2 . 15166 1 795 . 1 1 89 89 PRO HB3 H 1 1.4160 0.05 . 2 . . . . 105 PRO HB3 . 15166 1 796 . 1 1 89 89 PRO HG2 H 1 1.9180 0.05 . 2 . . . . 105 PRO HG2 . 15166 1 797 . 1 1 89 89 PRO HG3 H 1 1.5510 0.05 . 2 . . . . 105 PRO HG3 . 15166 1 798 . 1 1 89 89 PRO HD2 H 1 3.6480 0.05 . 2 . . . . 105 PRO HD2 . 15166 1 799 . 1 1 89 89 PRO HD3 H 1 3.4440 0.05 . 2 . . . . 105 PRO HD3 . 15166 1 800 . 1 1 89 89 PRO C C 13 175.4680 0.50 . 1 . . . . 105 PRO C . 15166 1 801 . 1 1 89 89 PRO CA C 13 62.6780 0.50 . 1 . . . . 105 PRO CA . 15166 1 802 . 1 1 89 89 PRO CB C 13 31.1000 0.50 . 1 . . . . 105 PRO CB . 15166 1 803 . 1 1 89 89 PRO CG C 13 27.5260 0.50 . 1 . . . . 105 PRO CG . 15166 1 804 . 1 1 89 89 PRO CD C 13 49.7360 0.50 . 1 . . . . 105 PRO CD . 15166 1 805 . 1 1 90 90 PHE H H 1 9.1140 0.05 . 1 . . . . 106 PHE H . 15166 1 806 . 1 1 90 90 PHE HA H 1 4.5612 0.05 . 1 . . . . 106 PHE HA . 15166 1 807 . 1 1 90 90 PHE HB2 H 1 2.8450 0.05 . 2 . . . . 106 PHE HB2 . 15166 1 808 . 1 1 90 90 PHE HB3 H 1 2.7970 0.05 . 2 . . . . 106 PHE HB3 . 15166 1 809 . 1 1 90 90 PHE HD1 H 1 7.1933 0.05 . 1 . . . . 106 PHE HD1 . 15166 1 810 . 1 1 90 90 PHE HD2 H 1 7.1933 0.05 . 1 . . . . 106 PHE HD2 . 15166 1 811 . 1 1 90 90 PHE C C 13 176.2840 0.50 . 1 . . . . 106 PHE C . 15166 1 812 . 1 1 90 90 PHE CA C 13 55.0540 0.50 . 1 . . . . 106 PHE CA . 15166 1 813 . 1 1 90 90 PHE CB C 13 42.1590 0.50 . 1 . . . . 106 PHE CB . 15166 1 814 . 1 1 90 90 PHE CD1 C 13 131.8270 0.50 . 1 . . . . 106 PHE CD1 . 15166 1 815 . 1 1 90 90 PHE CD2 C 13 131.8270 0.50 . 1 . . . . 106 PHE CD2 . 15166 1 816 . 1 1 90 90 PHE N N 15 121.0110 0.50 . 1 . . . . 106 PHE N . 15166 1 817 . 1 1 91 91 PRO HA H 1 4.0165 0.05 . 1 . . . . 107 PRO HA . 15166 1 818 . 1 1 91 91 PRO HB2 H 1 2.2501 0.05 . 2 . . . . 107 PRO HB2 . 15166 1 819 . 1 1 91 91 PRO HB3 H 1 1.8462 0.05 . 2 . . . . 107 PRO HB3 . 15166 1 820 . 1 1 91 91 PRO HG2 H 1 1.6899 0.05 . 2 . . . . 107 PRO HG2 . 15166 1 821 . 1 1 91 91 PRO C C 13 177.9130 0.50 . 1 . . . . 107 PRO C . 15166 1 822 . 1 1 91 91 PRO CA C 13 62.9370 0.50 . 1 . . . . 107 PRO CA . 15166 1 823 . 1 1 91 91 PRO CB C 13 33.4410 0.50 . 1 . . . . 107 PRO CB . 15166 1 824 . 1 1 91 91 PRO CG C 13 25.3260 0.50 . 1 . . . . 107 PRO CG . 15166 1 825 . 1 1 91 91 PRO CD C 13 49.2060 0.50 . 1 . . . . 107 PRO CD . 15166 1 826 . 1 1 92 92 HIS H H 1 8.1390 0.05 . 1 . . . . 108 HIS H . 15166 1 827 . 1 1 92 92 HIS HA H 1 4.6347 0.05 . 1 . . . . 108 HIS HA . 15166 1 828 . 1 1 92 92 HIS HB2 H 1 3.1456 0.05 . 2 . . . . 108 HIS HB2 . 15166 1 829 . 1 1 92 92 HIS HB3 H 1 3.2000 0.05 . 2 . . . . 108 HIS HB3 . 15166 1 830 . 1 1 92 92 HIS HD2 H 1 7.0690 0.05 . 1 . . . . 108 HIS HD2 . 15166 1 831 . 1 1 92 92 HIS C C 13 174.2670 0.50 . 1 . . . . 108 HIS C . 15166 1 832 . 1 1 92 92 HIS CA C 13 55.8830 0.50 . 1 . . . . 108 HIS CA . 15166 1 833 . 1 1 92 92 HIS CB C 13 30.1260 0.50 . 1 . . . . 108 HIS CB . 15166 1 834 . 1 1 92 92 HIS CD2 C 13 119.5312 0.50 . 1 . . . . 108 HIS CD2 . 15166 1 835 . 1 1 92 92 HIS N N 15 112.6080 0.50 . 1 . . . . 108 HIS N . 15166 1 836 . 1 1 93 93 TYR HA H 1 3.9210 0.05 . 1 . . . . 109 TYR HA . 15166 1 837 . 1 1 93 93 TYR HB2 H 1 2.9510 0.05 . 2 . . . . 109 TYR HB2 . 15166 1 838 . 1 1 93 93 TYR HB3 H 1 2.6660 0.05 . 2 . . . . 109 TYR HB3 . 15166 1 839 . 1 1 93 93 TYR HD1 H 1 6.9070 0.05 . 1 . . . . 109 TYR HD1 . 15166 1 840 . 1 1 93 93 TYR HD2 H 1 6.9070 0.05 . 1 . . . . 109 TYR HD2 . 15166 1 841 . 1 1 93 93 TYR HE1 H 1 6.5850 0.05 . 1 . . . . 109 TYR HE1 . 15166 1 842 . 1 1 93 93 TYR HE2 H 1 6.5850 0.05 . 1 . . . . 109 TYR HE2 . 15166 1 843 . 1 1 93 93 TYR C C 13 172.5760 0.50 . 1 . . . . 109 TYR C . 15166 1 844 . 1 1 93 93 TYR CA C 13 63.3650 0.50 . 1 . . . . 109 TYR CA . 15166 1 845 . 1 1 93 93 TYR CB C 13 38.0610 0.50 . 1 . . . . 109 TYR CB . 15166 1 846 . 1 1 93 93 TYR CD1 C 13 132.5066 0.50 . 1 . . . . 109 TYR CD1 . 15166 1 847 . 1 1 93 93 TYR CD2 C 13 132.5066 0.50 . 1 . . . . 109 TYR CD2 . 15166 1 848 . 1 1 93 93 TYR CE1 C 13 118.2070 0.50 . 1 . . . . 109 TYR CE1 . 15166 1 849 . 1 1 93 93 TYR CE2 C 13 118.2070 0.50 . 1 . . . . 109 TYR CE2 . 15166 1 850 . 1 1 94 94 PHE H H 1 9.3753 0.05 . 1 . . . . 110 PHE H . 15166 1 851 . 1 1 94 94 PHE HA H 1 3.9880 0.05 . 1 . . . . 110 PHE HA . 15166 1 852 . 1 1 94 94 PHE HB2 H 1 3.1730 0.05 . 2 . . . . 110 PHE HB2 . 15166 1 853 . 1 1 94 94 PHE HB3 H 1 2.8540 0.05 . 2 . . . . 110 PHE HB3 . 15166 1 854 . 1 1 94 94 PHE HD1 H 1 7.0300 0.05 . 1 . . . . 110 PHE HD1 . 15166 1 855 . 1 1 94 94 PHE HD2 H 1 7.0300 0.05 . 1 . . . . 110 PHE HD2 . 15166 1 856 . 1 1 94 94 PHE HE1 H 1 7.2220 0.05 . 1 . . . . 110 PHE HE1 . 15166 1 857 . 1 1 94 94 PHE HE2 H 1 7.2220 0.05 . 1 . . . . 110 PHE HE2 . 15166 1 858 . 1 1 94 94 PHE C C 13 173.7750 0.50 . 1 . . . . 110 PHE C . 15166 1 859 . 1 1 94 94 PHE CA C 13 61.3960 0.50 . 1 . . . . 110 PHE CA . 15166 1 860 . 1 1 94 94 PHE CB C 13 38.8180 0.50 . 1 . . . . 110 PHE CB . 15166 1 861 . 1 1 94 94 PHE CD1 C 13 131.1496 0.50 . 1 . . . . 110 PHE CD1 . 15166 1 862 . 1 1 94 94 PHE CD2 C 13 131.1496 0.50 . 1 . . . . 110 PHE CD2 . 15166 1 863 . 1 1 94 94 PHE N N 15 118.6220 0.50 . 1 . . . . 110 PHE N . 15166 1 864 . 1 1 95 95 ASP H H 1 7.0310 0.05 . 1 . . . . 111 ASP H . 15166 1 865 . 1 1 95 95 ASP HA H 1 4.2340 0.05 . 1 . . . . 111 ASP HA . 15166 1 866 . 1 1 95 95 ASP HB2 H 1 2.6410 0.05 . 2 . . . . 111 ASP HB2 . 15166 1 867 . 1 1 95 95 ASP HB3 H 1 2.4920 0.05 . 2 . . . . 111 ASP HB3 . 15166 1 868 . 1 1 95 95 ASP C C 13 174.2100 0.50 . 1 . . . . 111 ASP C . 15166 1 869 . 1 1 95 95 ASP CA C 13 56.4540 0.50 . 1 . . . . 111 ASP CA . 15166 1 870 . 1 1 95 95 ASP CB C 13 41.5790 0.50 . 1 . . . . 111 ASP CB . 15166 1 871 . 1 1 95 95 ASP N N 15 117.1720 0.50 . 1 . . . . 111 ASP N . 15166 1 872 . 1 1 96 96 ALA H H 1 8.1440 0.05 . 1 . . . . 112 ALA H . 15166 1 873 . 1 1 96 96 ALA HA H 1 4.1742 0.05 . 1 . . . . 112 ALA HA . 15166 1 874 . 1 1 96 96 ALA HB1 H 1 1.1707 0.05 . 1 . . . . 112 ALA HB . 15166 1 875 . 1 1 96 96 ALA HB2 H 1 1.1707 0.05 . 1 . . . . 112 ALA HB . 15166 1 876 . 1 1 96 96 ALA HB3 H 1 1.1707 0.05 . 1 . . . . 112 ALA HB . 15166 1 877 . 1 1 96 96 ALA C C 13 172.5290 0.50 . 1 . . . . 112 ALA C . 15166 1 878 . 1 1 96 96 ALA CA C 13 54.0460 0.50 . 1 . . . . 112 ALA CA . 15166 1 879 . 1 1 96 96 ALA CB C 13 20.4620 0.50 . 1 . . . . 112 ALA CB . 15166 1 880 . 1 1 96 96 ALA N N 15 118.6340 0.50 . 1 . . . . 112 ALA N . 15166 1 881 . 1 1 97 97 CYS H H 1 8.4360 0.05 . 1 . . . . 113 CYS H . 15166 1 882 . 1 1 97 97 CYS HA H 1 4.9710 0.05 . 1 . . . . 113 CYS HA . 15166 1 883 . 1 1 97 97 CYS HB2 H 1 3.2410 0.05 . 2 . . . . 113 CYS HB2 . 15166 1 884 . 1 1 97 97 CYS HB3 H 1 2.5090 0.05 . 2 . . . . 113 CYS HB3 . 15166 1 885 . 1 1 97 97 CYS C C 13 175.8650 0.50 . 1 . . . . 113 CYS C . 15166 1 886 . 1 1 97 97 CYS CA C 13 52.2420 0.50 . 1 . . . . 113 CYS CA . 15166 1 887 . 1 1 97 97 CYS CB C 13 39.7710 0.50 . 1 . . . . 113 CYS CB . 15166 1 888 . 1 1 97 97 CYS N N 15 109.5180 0.50 . 1 . . . . 113 CYS N . 15166 1 889 . 1 1 98 98 GLY H H 1 7.4630 0.05 . 1 . . . . 114 GLY H . 15166 1 890 . 1 1 98 98 GLY HA2 H 1 3.9410 0.05 . 2 . . . . 114 GLY HA2 . 15166 1 891 . 1 1 98 98 GLY C C 13 178.5800 0.50 . 1 . . . . 114 GLY C . 15166 1 892 . 1 1 98 98 GLY CA C 13 45.6530 0.50 . 1 . . . . 114 GLY CA . 15166 1 893 . 1 1 98 98 GLY N N 15 106.7700 0.50 . 1 . . . . 114 GLY N . 15166 1 894 . 1 1 99 99 PHE H H 1 6.9600 0.05 . 1 . . . . 115 PHE H . 15166 1 895 . 1 1 99 99 PHE HA H 1 4.6340 0.05 . 1 . . . . 115 PHE HA . 15166 1 896 . 1 1 99 99 PHE HB2 H 1 2.7250 0.05 . 2 . . . . 115 PHE HB2 . 15166 1 897 . 1 1 99 99 PHE HB3 H 1 2.6680 0.05 . 2 . . . . 115 PHE HB3 . 15166 1 898 . 1 1 99 99 PHE HD1 H 1 6.8290 0.05 . 1 . . . . 115 PHE HD1 . 15166 1 899 . 1 1 99 99 PHE HD2 H 1 6.8290 0.05 . 1 . . . . 115 PHE HD2 . 15166 1 900 . 1 1 99 99 PHE HE1 H 1 7.0056 0.05 . 1 . . . . 115 PHE HE1 . 15166 1 901 . 1 1 99 99 PHE HE2 H 1 7.0056 0.05 . 1 . . . . 115 PHE HE2 . 15166 1 902 . 1 1 99 99 PHE HZ H 1 7.2410 0.05 . 1 . . . . 115 PHE HZ . 15166 1 903 . 1 1 99 99 PHE CA C 13 55.8310 0.50 . 1 . . . . 115 PHE CA . 15166 1 904 . 1 1 99 99 PHE CB C 13 40.8730 0.50 . 1 . . . . 115 PHE CB . 15166 1 905 . 1 1 99 99 PHE CD1 C 13 132.0125 0.50 . 1 . . . . 115 PHE CD1 . 15166 1 906 . 1 1 99 99 PHE CD2 C 13 132.0125 0.50 . 1 . . . . 115 PHE CD2 . 15166 1 907 . 1 1 99 99 PHE CE1 C 13 129.0627 0.50 . 1 . . . . 115 PHE CE1 . 15166 1 908 . 1 1 99 99 PHE CE2 C 13 129.0627 0.50 . 1 . . . . 115 PHE CE2 . 15166 1 909 . 1 1 99 99 PHE N N 15 115.5870 0.50 . 1 . . . . 115 PHE N . 15166 1 910 . 1 1 100 100 ASP HA H 1 4.4770 0.05 . 1 . . . . 116 ASP HA . 15166 1 911 . 1 1 100 100 ASP HB2 H 1 2.6050 0.05 . 2 . . . . 116 ASP HB2 . 15166 1 912 . 1 1 100 100 ASP C C 13 175.8790 0.50 . 1 . . . . 116 ASP C . 15166 1 913 . 1 1 100 100 ASP CA C 13 53.4310 0.50 . 1 . . . . 116 ASP CA . 15166 1 914 . 1 1 100 100 ASP CB C 13 41.9240 0.50 . 1 . . . . 116 ASP CB . 15166 1 915 . 1 1 101 101 GLU H H 1 8.1570 0.05 . 1 . . . . 117 GLU H . 15166 1 916 . 1 1 101 101 GLU HA H 1 4.0770 0.05 . 1 . . . . 117 GLU HA . 15166 1 917 . 1 1 101 101 GLU HB2 H 1 1.7760 0.05 . 2 . . . . 117 GLU HB2 . 15166 1 918 . 1 1 101 101 GLU HB3 H 1 1.9710 0.05 . 2 . . . . 117 GLU HB3 . 15166 1 919 . 1 1 101 101 GLU HG2 H 1 2.1567 0.05 . 2 . . . . 117 GLU HG2 . 15166 1 920 . 1 1 101 101 GLU C C 13 175.6690 0.50 . 1 . . . . 117 GLU C . 15166 1 921 . 1 1 101 101 GLU CA C 13 56.5600 0.50 . 1 . . . . 117 GLU CA . 15166 1 922 . 1 1 101 101 GLU CB C 13 30.6170 0.50 . 1 . . . . 117 GLU CB . 15166 1 923 . 1 1 101 101 GLU CG C 13 36.0800 0.50 . 1 . . . . 117 GLU CG . 15166 1 924 . 1 1 101 101 GLU N N 15 119.2440 0.50 . 1 . . . . 117 GLU N . 15166 1 925 . 1 1 102 102 TYR H H 1 8.1410 0.05 . 1 . . . . 118 TYR H . 15166 1 926 . 1 1 102 102 TYR HA H 1 4.5070 0.05 . 1 . . . . 118 TYR HA . 15166 1 927 . 1 1 102 102 TYR HB2 H 1 2.9340 0.05 . 2 . . . . 118 TYR HB2 . 15166 1 928 . 1 1 102 102 TYR HB3 H 1 2.7860 0.05 . 2 . . . . 118 TYR HB3 . 15166 1 929 . 1 1 102 102 TYR HD1 H 1 7.0345 0.05 . 1 . . . . 118 TYR HD1 . 15166 1 930 . 1 1 102 102 TYR HD2 H 1 7.0345 0.05 . 1 . . . . 118 TYR HD2 . 15166 1 931 . 1 1 102 102 TYR HE1 H 1 6.7730 0.05 . 1 . . . . 118 TYR HE1 . 15166 1 932 . 1 1 102 102 TYR HE2 H 1 6.7730 0.05 . 1 . . . . 118 TYR HE2 . 15166 1 933 . 1 1 102 102 TYR C C 13 175.7340 0.50 . 1 . . . . 118 TYR C . 15166 1 934 . 1 1 102 102 TYR CA C 13 57.9370 0.50 . 1 . . . . 118 TYR CA . 15166 1 935 . 1 1 102 102 TYR CB C 13 38.8760 0.50 . 1 . . . . 118 TYR CB . 15166 1 936 . 1 1 102 102 TYR CD1 C 13 132.9877 0.50 . 1 . . . . 118 TYR CD1 . 15166 1 937 . 1 1 102 102 TYR CD2 C 13 132.9877 0.50 . 1 . . . . 118 TYR CD2 . 15166 1 938 . 1 1 102 102 TYR CE1 C 13 118.2358 0.50 . 1 . . . . 118 TYR CE1 . 15166 1 939 . 1 1 102 102 TYR CE2 C 13 118.2358 0.50 . 1 . . . . 118 TYR CE2 . 15166 1 940 . 1 1 102 102 TYR N N 15 120.1700 0.50 . 1 . . . . 118 TYR N . 15166 1 941 . 1 1 103 103 GLU H H 1 8.1000 0.05 . 1 . . . . 119 GLU H . 15166 1 942 . 1 1 103 103 GLU HA H 1 4.2230 0.05 . 1 . . . . 119 GLU HA . 15166 1 943 . 1 1 103 103 GLU HB2 H 1 2.1590 0.05 . 2 . . . . 119 GLU HB2 . 15166 1 944 . 1 1 103 103 GLU HB3 H 1 1.8580 0.05 . 2 . . . . 119 GLU HB3 . 15166 1 945 . 1 1 103 103 GLU HG2 H 1 2.1537 0.05 . 2 . . . . 119 GLU HG2 . 15166 1 946 . 1 1 103 103 GLU C C 13 175.4340 0.50 . 1 . . . . 119 GLU C . 15166 1 947 . 1 1 103 103 GLU CA C 13 56.3370 0.50 . 1 . . . . 119 GLU CA . 15166 1 948 . 1 1 103 103 GLU CB C 13 30.5820 0.50 . 1 . . . . 119 GLU CB . 15166 1 949 . 1 1 103 103 GLU CG C 13 35.8640 0.50 . 1 . . . . 119 GLU CG . 15166 1 950 . 1 1 103 103 GLU N N 15 122.2910 0.50 . 1 . . . . 119 GLU N . 15166 1 951 . 1 1 104 104 SER H H 1 8.2220 0.05 . 1 . . . . 120 SER H . 15166 1 952 . 1 1 104 104 SER HA H 1 4.4480 0.05 . 1 . . . . 120 SER HA . 15166 1 953 . 1 1 104 104 SER HB2 H 1 3.8230 0.05 . 2 . . . . 120 SER HB2 . 15166 1 954 . 1 1 104 104 SER C C 13 176.8830 0.50 . 1 . . . . 120 SER C . 15166 1 955 . 1 1 104 104 SER CA C 13 58.1690 0.50 . 1 . . . . 120 SER CA . 15166 1 956 . 1 1 104 104 SER CB C 13 63.8220 0.50 . 1 . . . . 120 SER CB . 15166 1 957 . 1 1 104 104 SER N N 15 116.5990 0.50 . 1 . . . . 120 SER N . 15166 1 958 . 1 1 105 105 GLU H H 1 8.4810 0.05 . 1 . . . . 121 GLU H . 15166 1 959 . 1 1 105 105 GLU HA H 1 4.4050 0.05 . 1 . . . . 121 GLU HA . 15166 1 960 . 1 1 105 105 GLU HB2 H 1 2.2220 0.05 . 2 . . . . 121 GLU HB2 . 15166 1 961 . 1 1 105 105 GLU HB3 H 1 1.9240 0.05 . 2 . . . . 121 GLU HB3 . 15166 1 962 . 1 1 105 105 GLU C C 13 175.3720 0.50 . 1 . . . . 121 GLU C . 15166 1 963 . 1 1 105 105 GLU CA C 13 56.9720 0.50 . 1 . . . . 121 GLU CA . 15166 1 964 . 1 1 105 105 GLU CB C 13 30.4520 0.50 . 1 . . . . 121 GLU CB . 15166 1 965 . 1 1 105 105 GLU N N 15 123.1500 0.50 . 1 . . . . 121 GLU N . 15166 1 966 . 1 1 106 106 THR H H 1 7.7810 0.05 . 1 . . . . 122 THR H . 15166 1 967 . 1 1 106 106 THR HA H 1 4.1230 0.05 . 1 . . . . 122 THR HA . 15166 1 968 . 1 1 106 106 THR HB H 1 4.2241 0.05 . 1 . . . . 122 THR HB . 15166 1 969 . 1 1 106 106 THR HG21 H 1 1.1400 0.05 . 1 . . . . 122 THR HG2 . 15166 1 970 . 1 1 106 106 THR HG22 H 1 1.1400 0.05 . 1 . . . . 122 THR HG2 . 15166 1 971 . 1 1 106 106 THR HG23 H 1 1.1400 0.05 . 1 . . . . 122 THR HG2 . 15166 1 972 . 1 1 106 106 THR CA C 13 63.0110 0.50 . 1 . . . . 122 THR CA . 15166 1 973 . 1 1 106 106 THR CB C 13 70.5092 0.50 . 1 . . . . 122 THR CB . 15166 1 974 . 1 1 106 106 THR CG2 C 13 21.2130 0.50 . 1 . . . . 122 THR CG2 . 15166 1 975 . 1 1 106 106 THR N N 15 119.3660 0.50 . 1 . . . . 122 THR N . 15166 1 stop_ save_