data_5595 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5595 _Entry.Title ; Letter to the Editor: 1H, 13C, 15N backbone resonance assignments of apo-NosL, a novel 18.5 kDa copper(I) binding protein from the nitrous oxide reductase gene cluster of Achromobacter cycloclastes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-21 _Entry.Accession_date 2002-11-21 _Entry.Last_release_date 2004-03-15 _Entry.Original_release_date 2004-03-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Lara Taubner . M . 5595 2 Michele McGuirl . A . 5595 3 David Dooley . M . 5595 4 Valerie Copie . . . 5595 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5595 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 846 5595 '13C chemical shifts' 596 5595 '15N chemical shifts' 148 5595 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 . . 2004-03-15 2002-11-21 original author . 5595 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5595 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15014237 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, 15N backbone and sidechain resonance assignments of apo-NosL, a novel copper(I) binding protein from the nitrous oxide reductase gene cluster of Achromobacter cycloclastes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _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 211 _Citation.Page_last 212 _Citation.Year 2004 _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 Lara Taubner . M . 5595 1 2 Michele McGuirl . A . 5595 1 3 David Dooley . M . 5595 1 4 Valerie Copie . V . 5595 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NosL 5595 1 'nitrous oxide reductase' 5595 1 'copper chaperone' 5595 1 'NMR resonance' 5595 1 assignments 5595 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5595 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11293413 _Citation.Full_citation ; McGuirl MA, Bollinger JA, Cosper N, Scott RA, Dooley DM. Expression, purification, and characterization of NosL, a novel Cu(I) protein of the nitrous oxide reductase (nos) gene cluster. J Biol Inorg Chem. 2001 Feb;6(2):189-95. ; _Citation.Title 'Expression, purification, and characterization of NosL, a novel Cu(I) protein of the nitrous oxide reductase (nos) gene cluster.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full 'Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0949-8257 _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 189 _Citation.Page_last 195 _Citation.Year 2001 _Citation.Details ; NosL, one of the accessory proteins of the nos (nitrous oxide reductase) gene cluster, has been heterologously expressed, purified, and characterized. NosL is a monomeric protein of 18,540 MW that specifically and stoichiometrically binds Cu(I). The copper ion in NosL is ligated by a Cys residue, and one Met and one His are thought to serve as the other ligands. While it is possible to oxidize Cu(I)-NosL with ferricyanide, the Cu(II) ion thus formed appears to dissociate from the protein. The function of Cu(I)NosL is not yet known, but the data indicate that NosL does not act as an electron transfer partner to nitrous oxide reductase. NosL is encoded on the same transcript as three other gene products (NosD, NosF, and NosY). These have been shown to be required for assembly of the active site in nitrous oxide reductase, which is thought to be a copper cluster. Accordingly, it is possible that NosL is a copper chaperone involved in metallocenter assembly. ; 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 'M A' McGuirl M. A. . 5595 2 2 'J A' Bollinger J. A. . 5595 2 3 N Cosper N. . . 5595 2 4 'R A' Scott R. A. . 5595 2 5 'D M' Dooley D. M. . 5595 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5595 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9720302 _Citation.Full_citation ; McGuirl MA, Nelson LK, Bollinger JA, Chan YK, Dooley DM. The nos (nitrous oxide reductase) gene cluster from the soil bacterium Achromobacter cycloclastes: cloning, sequence analysis, and expression. J Inorg Biochem. 1998 Jul;70(3-4):155-69. ; _Citation.Title 'The nos (nitrous oxide reductase) gene cluster from the soil bacterium Achromobacter cycloclastes: cloning, sequence analysis, and expression.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Inorg. Biochem.' _Citation.Journal_name_full 'Journal of inorganic biochemistry' _Citation.Journal_volume 70 _Citation.Journal_issue 3-4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0162-0134 _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 155 _Citation.Page_last 169 _Citation.Year 1998 _Citation.Details ; The nitrous oxide (N2O) reductase (nos) gene cluster from Achromobacter cycloclastes has been cloned and sequenced. Seven protein coding regions corresponding to nosR, nosZ (structural N2O reductase gene), nosD, nosF, nosY, nosL, and nosX are detected, indicating a genetic organization similar to that of Rhizobium meliloti. To aid homology studies, nosR from R. meliloti has also been sequenced. Comparison of the deduced amino acid sequences with corresponding sequences from other organisms has also allowed structural and functional inferences to be made. The heterologous expression of NosD, NosZ (N2O reductase), and NosL is also reported. A model of the CuA site in N2O reductase, based on the crystal structure of this site in bovine heart cytochrome c oxidase, is presented. The model suggests that a His residue of the CuA domain may be a ligand to the catalytic CuZ site. In addition, the origin of the spectroscopically-observed Cys coordination to CuZ is discussed in terms of the sequence alignment of seven N2O reductases. ; 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 'M A' McGuirl M. A. . 5595 3 2 'L K' Nelson L. K. . 5595 3 3 'J A' Bollinger J. A. . 5595 3 4 'Y K' Chan Y. K. . 5595 3 5 'D M' Dooley D. M. . 5595 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NosL _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NosL _Assembly.Entry_ID 5595 _Assembly.ID 1 _Assembly.Name NosL _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5595 1 stop_ 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 'NosL monomer' 1 $NosL . . . native . . . . . 5595 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID NosL system 5595 1 NosL abbreviation 5595 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'copper(I) binding protein' 5595 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NosL _Entity.Sf_category entity _Entity.Sf_framecode NosL _Entity.Entry_ID 5595 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NosL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDKEDVAQSIVPQDMTPETL GHYCQMNLLEHPGPKAQIFL EGSPAPLFFSQVRDAIAYAR GPEQIAPILVIYVNDMGAAG ATWDQPGDGNWIAADKAFYV VGSARRGGMGAPEAVPFSSR DEAAAFVLAEGGQVLALADI TDAMVLTPVETGSEPRADDE DYLGRLRALPHPAGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18538 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2HPU . "Solution Nmr Structure Of The Apo-Nosl Protein From Achromobacter Cycloclastes" . . . . . 100.00 175 100.00 100.00 3.23e-122 . . . . 5595 1 2 no PDB 2HQ3 . "Solution Nmr Structure Of The Apo-Nosl Protein From Achromobacter Cycloclastes" . . . . . 100.00 175 100.00 100.00 3.23e-122 . . . . 5595 1 3 no EMBL CAA75429 . "nosL [Achromobacter cycloclastes]" . . . . . 98.86 193 100.00 100.00 4.71e-121 . . . . 5595 1 4 no GB AAD09161 . "NosL precursor [Achromobacter cycloclastes]" . . . . . 98.86 193 100.00 100.00 4.71e-121 . . . . 5595 1 5 no GB KDP72987 . "copper chaperone [Ensifer adhaerens]" . . . . . 98.86 193 100.00 100.00 5.99e-121 . . . . 5595 1 6 no REF WP_029742711 . "copper chaperone [Ensifer sp. JGI 0001011-A08]" . . . . . 98.86 193 100.00 100.00 4.71e-121 . . . . 5595 1 7 no REF WP_034799000 . "copper chaperone [Ensifer adhaerens]" . . . . . 98.86 193 100.00 100.00 5.99e-121 . . . . 5595 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NosL common 5595 1 NosL abbreviation 5595 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5595 1 2 . ASP . 5595 1 3 . LYS . 5595 1 4 . GLU . 5595 1 5 . ASP . 5595 1 6 . VAL . 5595 1 7 . ALA . 5595 1 8 . GLN . 5595 1 9 . SER . 5595 1 10 . ILE . 5595 1 11 . VAL . 5595 1 12 . PRO . 5595 1 13 . GLN . 5595 1 14 . ASP . 5595 1 15 . MET . 5595 1 16 . THR . 5595 1 17 . PRO . 5595 1 18 . GLU . 5595 1 19 . THR . 5595 1 20 . LEU . 5595 1 21 . GLY . 5595 1 22 . HIS . 5595 1 23 . TYR . 5595 1 24 . CYS . 5595 1 25 . GLN . 5595 1 26 . MET . 5595 1 27 . ASN . 5595 1 28 . LEU . 5595 1 29 . LEU . 5595 1 30 . GLU . 5595 1 31 . HIS . 5595 1 32 . PRO . 5595 1 33 . GLY . 5595 1 34 . PRO . 5595 1 35 . LYS . 5595 1 36 . ALA . 5595 1 37 . GLN . 5595 1 38 . ILE . 5595 1 39 . PHE . 5595 1 40 . LEU . 5595 1 41 . GLU . 5595 1 42 . GLY . 5595 1 43 . SER . 5595 1 44 . PRO . 5595 1 45 . ALA . 5595 1 46 . PRO . 5595 1 47 . LEU . 5595 1 48 . PHE . 5595 1 49 . PHE . 5595 1 50 . SER . 5595 1 51 . GLN . 5595 1 52 . VAL . 5595 1 53 . ARG . 5595 1 54 . ASP . 5595 1 55 . ALA . 5595 1 56 . ILE . 5595 1 57 . ALA . 5595 1 58 . TYR . 5595 1 59 . ALA . 5595 1 60 . ARG . 5595 1 61 . GLY . 5595 1 62 . PRO . 5595 1 63 . GLU . 5595 1 64 . GLN . 5595 1 65 . ILE . 5595 1 66 . ALA . 5595 1 67 . PRO . 5595 1 68 . ILE . 5595 1 69 . LEU . 5595 1 70 . VAL . 5595 1 71 . ILE . 5595 1 72 . TYR . 5595 1 73 . VAL . 5595 1 74 . ASN . 5595 1 75 . ASP . 5595 1 76 . MET . 5595 1 77 . GLY . 5595 1 78 . ALA . 5595 1 79 . ALA . 5595 1 80 . GLY . 5595 1 81 . ALA . 5595 1 82 . THR . 5595 1 83 . TRP . 5595 1 84 . ASP . 5595 1 85 . GLN . 5595 1 86 . PRO . 5595 1 87 . GLY . 5595 1 88 . ASP . 5595 1 89 . GLY . 5595 1 90 . ASN . 5595 1 91 . TRP . 5595 1 92 . ILE . 5595 1 93 . ALA . 5595 1 94 . ALA . 5595 1 95 . ASP . 5595 1 96 . LYS . 5595 1 97 . ALA . 5595 1 98 . PHE . 5595 1 99 . TYR . 5595 1 100 . VAL . 5595 1 101 . VAL . 5595 1 102 . GLY . 5595 1 103 . SER . 5595 1 104 . ALA . 5595 1 105 . ARG . 5595 1 106 . ARG . 5595 1 107 . GLY . 5595 1 108 . GLY . 5595 1 109 . MET . 5595 1 110 . GLY . 5595 1 111 . ALA . 5595 1 112 . PRO . 5595 1 113 . GLU . 5595 1 114 . ALA . 5595 1 115 . VAL . 5595 1 116 . PRO . 5595 1 117 . PHE . 5595 1 118 . SER . 5595 1 119 . SER . 5595 1 120 . ARG . 5595 1 121 . ASP . 5595 1 122 . GLU . 5595 1 123 . ALA . 5595 1 124 . ALA . 5595 1 125 . ALA . 5595 1 126 . PHE . 5595 1 127 . VAL . 5595 1 128 . LEU . 5595 1 129 . ALA . 5595 1 130 . GLU . 5595 1 131 . GLY . 5595 1 132 . GLY . 5595 1 133 . GLN . 5595 1 134 . VAL . 5595 1 135 . LEU . 5595 1 136 . ALA . 5595 1 137 . LEU . 5595 1 138 . ALA . 5595 1 139 . ASP . 5595 1 140 . ILE . 5595 1 141 . THR . 5595 1 142 . ASP . 5595 1 143 . ALA . 5595 1 144 . MET . 5595 1 145 . VAL . 5595 1 146 . LEU . 5595 1 147 . THR . 5595 1 148 . PRO . 5595 1 149 . VAL . 5595 1 150 . GLU . 5595 1 151 . THR . 5595 1 152 . GLY . 5595 1 153 . SER . 5595 1 154 . GLU . 5595 1 155 . PRO . 5595 1 156 . ARG . 5595 1 157 . ALA . 5595 1 158 . ASP . 5595 1 159 . ASP . 5595 1 160 . GLU . 5595 1 161 . ASP . 5595 1 162 . TYR . 5595 1 163 . LEU . 5595 1 164 . GLY . 5595 1 165 . ARG . 5595 1 166 . LEU . 5595 1 167 . ARG . 5595 1 168 . ALA . 5595 1 169 . LEU . 5595 1 170 . PRO . 5595 1 171 . HIS . 5595 1 172 . PRO . 5595 1 173 . ALA . 5595 1 174 . GLY . 5595 1 175 . GLY . 5595 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 5595 1 . ASP 2 2 5595 1 . LYS 3 3 5595 1 . GLU 4 4 5595 1 . ASP 5 5 5595 1 . VAL 6 6 5595 1 . ALA 7 7 5595 1 . GLN 8 8 5595 1 . SER 9 9 5595 1 . ILE 10 10 5595 1 . VAL 11 11 5595 1 . PRO 12 12 5595 1 . GLN 13 13 5595 1 . ASP 14 14 5595 1 . MET 15 15 5595 1 . THR 16 16 5595 1 . PRO 17 17 5595 1 . GLU 18 18 5595 1 . THR 19 19 5595 1 . LEU 20 20 5595 1 . GLY 21 21 5595 1 . HIS 22 22 5595 1 . TYR 23 23 5595 1 . CYS 24 24 5595 1 . GLN 25 25 5595 1 . MET 26 26 5595 1 . ASN 27 27 5595 1 . LEU 28 28 5595 1 . LEU 29 29 5595 1 . GLU 30 30 5595 1 . HIS 31 31 5595 1 . PRO 32 32 5595 1 . GLY 33 33 5595 1 . PRO 34 34 5595 1 . LYS 35 35 5595 1 . ALA 36 36 5595 1 . GLN 37 37 5595 1 . ILE 38 38 5595 1 . PHE 39 39 5595 1 . LEU 40 40 5595 1 . GLU 41 41 5595 1 . GLY 42 42 5595 1 . SER 43 43 5595 1 . PRO 44 44 5595 1 . ALA 45 45 5595 1 . PRO 46 46 5595 1 . LEU 47 47 5595 1 . PHE 48 48 5595 1 . PHE 49 49 5595 1 . SER 50 50 5595 1 . GLN 51 51 5595 1 . VAL 52 52 5595 1 . ARG 53 53 5595 1 . ASP 54 54 5595 1 . ALA 55 55 5595 1 . ILE 56 56 5595 1 . ALA 57 57 5595 1 . TYR 58 58 5595 1 . ALA 59 59 5595 1 . ARG 60 60 5595 1 . GLY 61 61 5595 1 . PRO 62 62 5595 1 . GLU 63 63 5595 1 . GLN 64 64 5595 1 . ILE 65 65 5595 1 . ALA 66 66 5595 1 . PRO 67 67 5595 1 . ILE 68 68 5595 1 . LEU 69 69 5595 1 . VAL 70 70 5595 1 . ILE 71 71 5595 1 . TYR 72 72 5595 1 . VAL 73 73 5595 1 . ASN 74 74 5595 1 . ASP 75 75 5595 1 . MET 76 76 5595 1 . GLY 77 77 5595 1 . ALA 78 78 5595 1 . ALA 79 79 5595 1 . GLY 80 80 5595 1 . ALA 81 81 5595 1 . THR 82 82 5595 1 . TRP 83 83 5595 1 . ASP 84 84 5595 1 . GLN 85 85 5595 1 . PRO 86 86 5595 1 . GLY 87 87 5595 1 . ASP 88 88 5595 1 . GLY 89 89 5595 1 . ASN 90 90 5595 1 . TRP 91 91 5595 1 . ILE 92 92 5595 1 . ALA 93 93 5595 1 . ALA 94 94 5595 1 . ASP 95 95 5595 1 . LYS 96 96 5595 1 . ALA 97 97 5595 1 . PHE 98 98 5595 1 . TYR 99 99 5595 1 . VAL 100 100 5595 1 . VAL 101 101 5595 1 . GLY 102 102 5595 1 . SER 103 103 5595 1 . ALA 104 104 5595 1 . ARG 105 105 5595 1 . ARG 106 106 5595 1 . GLY 107 107 5595 1 . GLY 108 108 5595 1 . MET 109 109 5595 1 . GLY 110 110 5595 1 . ALA 111 111 5595 1 . PRO 112 112 5595 1 . GLU 113 113 5595 1 . ALA 114 114 5595 1 . VAL 115 115 5595 1 . PRO 116 116 5595 1 . PHE 117 117 5595 1 . SER 118 118 5595 1 . SER 119 119 5595 1 . ARG 120 120 5595 1 . ASP 121 121 5595 1 . GLU 122 122 5595 1 . ALA 123 123 5595 1 . ALA 124 124 5595 1 . ALA 125 125 5595 1 . PHE 126 126 5595 1 . VAL 127 127 5595 1 . LEU 128 128 5595 1 . ALA 129 129 5595 1 . GLU 130 130 5595 1 . GLY 131 131 5595 1 . GLY 132 132 5595 1 . GLN 133 133 5595 1 . VAL 134 134 5595 1 . LEU 135 135 5595 1 . ALA 136 136 5595 1 . LEU 137 137 5595 1 . ALA 138 138 5595 1 . ASP 139 139 5595 1 . ILE 140 140 5595 1 . THR 141 141 5595 1 . ASP 142 142 5595 1 . ALA 143 143 5595 1 . MET 144 144 5595 1 . VAL 145 145 5595 1 . LEU 146 146 5595 1 . THR 147 147 5595 1 . PRO 148 148 5595 1 . VAL 149 149 5595 1 . GLU 150 150 5595 1 . THR 151 151 5595 1 . GLY 152 152 5595 1 . SER 153 153 5595 1 . GLU 154 154 5595 1 . PRO 155 155 5595 1 . ARG 156 156 5595 1 . ALA 157 157 5595 1 . ASP 158 158 5595 1 . ASP 159 159 5595 1 . GLU 160 160 5595 1 . ASP 161 161 5595 1 . TYR 162 162 5595 1 . LEU 163 163 5595 1 . GLY 164 164 5595 1 . ARG 165 165 5595 1 . LEU 166 166 5595 1 . ARG 167 167 5595 1 . ALA 168 168 5595 1 . LEU 169 169 5595 1 . PRO 170 170 5595 1 . HIS 171 171 5595 1 . PRO 172 172 5595 1 . ALA 173 173 5595 1 . GLY 174 174 5595 1 . GLY 175 175 5595 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5595 _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 $NosL . 223 . . 'Achromobacter cycloclastes' 'Denitrifying bacteria' . . Eubacteria . Achromobacter cycloclastes . . . . . . . . . . . . . . . . nosl . . . . 5595 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 5595 _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 $NosL . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-20b+ . . . . . . 5595 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_sample _Sample.Entry_ID 5595 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 NosL '[U-15N; U-13C]' . . 1 $NosL . . 1.0 . . mM . . . . 5595 1 2 DTT [U-2D] . . . . . . 1.0 . . mM . . . . 5595 1 3 EDTA . . . . . . . 1.0 . . mM . . . . 5595 1 4 D2O . . . . . . . 10 . . % . . . . 5595 1 5 'sodium phosphate' . . . . . . . 100 . . mM . . . . 5595 1 stop_ save_ ####################### # Sample conditions # ####################### save_15N_13C_NosL_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 15N_13C_NosL_cond _Sample_condition_list.Entry_ID 5595 _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 pH* 6.5 0.1 n/a 5595 1 temperature 303 1 K 5595 1 'ionic strength' 0.1 0.02 M 5595 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5595 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'Delaglio, F., Grzesiek S., Vuister G.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5595 1 'peak picking' 5595 1 'peak tables' 5595 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5595 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details 'Garret, D.S., Powers, R., Gronenborn, A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5595 2 'peak picking' 5595 2 'peak tables' 5595 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5595 _Software.ID 3 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Bruker Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5595 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5595 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5595 _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 NMR_spectrometer BRUKER DRX . 600 . . . 5595 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 5595 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 4 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 5 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 6 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 7 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 8 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 9 15N-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 10 15N-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5595 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 15N-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 15N-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5595 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5595 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5595 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5595 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5595 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_15N-13C_NosL_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 15N-13C_NosL_shifts _Assigned_chem_shift_list.Entry_ID 5595 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $15N_13C_NosL_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $15N_13C_sample . 5595 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 5595 1 2 . 1 1 2 2 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5595 1 3 . 1 1 2 2 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5595 1 4 . 1 1 2 2 ASP C C 13 175.90 0.50 . 1 . . . . . . . . 5595 1 5 . 1 1 2 2 ASP CA C 13 54.64 0.50 . 1 . . . . . . . . 5595 1 6 . 1 1 2 2 ASP CB C 13 41.40 0.50 . 1 . . . . . . . . 5595 1 7 . 1 1 3 3 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 5595 1 8 . 1 1 3 3 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 5595 1 9 . 1 1 3 3 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5595 1 10 . 1 1 3 3 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5595 1 11 . 1 1 3 3 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . 5595 1 12 . 1 1 3 3 LYS HE2 H 1 2.99 0.02 . 2 . . . . . . . . 5595 1 13 . 1 1 3 3 LYS C C 13 176.59 0.50 . 1 . . . . . . . . 5595 1 14 . 1 1 3 3 LYS CA C 13 56.81 0.50 . 1 . . . . . . . . 5595 1 15 . 1 1 3 3 LYS CB C 13 33.12 0.50 . 1 . . . . . . . . 5595 1 16 . 1 1 3 3 LYS CG C 13 24.51 0.50 . 1 . . . . . . . . 5595 1 17 . 1 1 3 3 LYS CD C 13 29.12 0.50 . 1 . . . . . . . . 5595 1 18 . 1 1 3 3 LYS CE C 13 42.17 0.50 . 1 . . . . . . . . 5595 1 19 . 1 1 3 3 LYS N N 15 121.50 0.30 . 1 . . . . . . . . 5595 1 20 . 1 1 4 4 GLU H H 1 8.48 0.02 . 1 . . . . . . . . 5595 1 21 . 1 1 4 4 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5595 1 22 . 1 1 4 4 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5595 1 23 . 1 1 4 4 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5595 1 24 . 1 1 4 4 GLU C C 13 176.33 0.50 . 1 . . . . . . . . 5595 1 25 . 1 1 4 4 GLU CA C 13 56.90 0.50 . 1 . . . . . . . . 5595 1 26 . 1 1 4 4 GLU CB C 13 30.12 0.50 . 1 . . . . . . . . 5595 1 27 . 1 1 4 4 GLU CG C 13 36.39 0.50 . 1 . . . . . . . . 5595 1 28 . 1 1 4 4 GLU N N 15 121.42 0.30 . 1 . . . . . . . . 5595 1 29 . 1 1 5 5 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 5595 1 30 . 1 1 5 5 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 5595 1 31 . 1 1 5 5 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5595 1 32 . 1 1 5 5 ASP CA C 13 54.46 0.50 . 1 . . . . . . . . 5595 1 33 . 1 1 5 5 ASP CB C 13 41.08 0.50 . 1 . . . . . . . . 5595 1 34 . 1 1 5 5 ASP N N 15 121.48 0.30 . 1 . . . . . . . . 5595 1 35 . 1 1 6 6 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 5595 1 36 . 1 1 6 6 VAL HA H 1 4.03 0.02 . 1 . . . . . . . . 5595 1 37 . 1 1 6 6 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 5595 1 38 . 1 1 6 6 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5595 1 39 . 1 1 6 6 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5595 1 40 . 1 1 6 6 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5595 1 41 . 1 1 6 6 VAL C C 13 176.31 0.50 . 1 . . . . . . . . 5595 1 42 . 1 1 6 6 VAL CA C 13 62.84 0.50 . 1 . . . . . . . . 5595 1 43 . 1 1 6 6 VAL CB C 13 32.57 0.50 . 1 . . . . . . . . 5595 1 44 . 1 1 6 6 VAL CG1 C 13 23.77 0.50 . 2 . . . . . . . . 5595 1 45 . 1 1 6 6 VAL CG2 C 13 20.85 0.50 . 2 . . . . . . . . 5595 1 46 . 1 1 6 6 VAL N N 15 120.48 0.30 . 1 . . . . . . . . 5595 1 47 . 1 1 7 7 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5595 1 48 . 1 1 7 7 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 5595 1 49 . 1 1 7 7 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 50 . 1 1 7 7 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 51 . 1 1 7 7 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 52 . 1 1 7 7 ALA C C 13 177.90 0.50 . 1 . . . . . . . . 5595 1 53 . 1 1 7 7 ALA CA C 13 53.03 0.50 . 1 . . . . . . . . 5595 1 54 . 1 1 7 7 ALA CB C 13 18.95 0.50 . 1 . . . . . . . . 5595 1 55 . 1 1 7 7 ALA N N 15 126.15 0.30 . 1 . . . . . . . . 5595 1 56 . 1 1 8 8 GLN H H 1 8.05 0.02 . 1 . . . . . . . . 5595 1 57 . 1 1 8 8 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 5595 1 58 . 1 1 8 8 GLN HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5595 1 59 . 1 1 8 8 GLN HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5595 1 60 . 1 1 8 8 GLN C C 13 175.97 0.50 . 1 . . . . . . . . 5595 1 61 . 1 1 8 8 GLN CA C 13 56.10 0.50 . 1 . . . . . . . . 5595 1 62 . 1 1 8 8 GLN CB C 13 29.27 0.50 . 1 . . . . . . . . 5595 1 63 . 1 1 8 8 GLN CG C 13 33.84 0.50 . 1 . . . . . . . . 5595 1 64 . 1 1 8 8 GLN N N 15 118.26 0.30 . 1 . . . . . . . . 5595 1 65 . 1 1 9 9 SER H H 1 8.12 0.02 . 1 . . . . . . . . 5595 1 66 . 1 1 9 9 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 5595 1 67 . 1 1 9 9 SER HB2 H 1 3.79 0.02 . 2 . . . . . . . . 5595 1 68 . 1 1 9 9 SER C C 13 174.44 0.50 . 1 . . . . . . . . 5595 1 69 . 1 1 9 9 SER CA C 13 58.42 0.50 . 1 . . . . . . . . 5595 1 70 . 1 1 9 9 SER CB C 13 63.76 0.50 . 1 . . . . . . . . 5595 1 71 . 1 1 9 9 SER N N 15 116.43 0.30 . 1 . . . . . . . . 5595 1 72 . 1 1 10 10 ILE H H 1 7.88 0.02 . 1 . . . . . . . . 5595 1 73 . 1 1 10 10 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 5595 1 74 . 1 1 10 10 ILE HB H 1 1.43 0.02 . 1 . . . . . . . . 5595 1 75 . 1 1 10 10 ILE HG12 H 1 0.82 0.02 . 2 . . . . . . . . 5595 1 76 . 1 1 10 10 ILE HG21 H 1 0.55 0.02 . 1 . . . . . . . . 5595 1 77 . 1 1 10 10 ILE HG22 H 1 0.55 0.02 . 1 . . . . . . . . 5595 1 78 . 1 1 10 10 ILE HG23 H 1 0.55 0.02 . 1 . . . . . . . . 5595 1 79 . 1 1 10 10 ILE HD11 H 1 -0.06 0.02 . 1 . . . . . . . . 5595 1 80 . 1 1 10 10 ILE HD12 H 1 -0.06 0.02 . 1 . . . . . . . . 5595 1 81 . 1 1 10 10 ILE HD13 H 1 -0.06 0.02 . 1 . . . . . . . . 5595 1 82 . 1 1 10 10 ILE C C 13 175.03 0.50 . 1 . . . . . . . . 5595 1 83 . 1 1 10 10 ILE CA C 13 60.57 0.50 . 1 . . . . . . . . 5595 1 84 . 1 1 10 10 ILE CB C 13 37.49 0.50 . 1 . . . . . . . . 5595 1 85 . 1 1 10 10 ILE CG1 C 13 27.06 0.50 . 1 . . . . . . . . 5595 1 86 . 1 1 10 10 ILE CG2 C 13 16.61 0.50 . 1 . . . . . . . . 5595 1 87 . 1 1 10 10 ILE CD1 C 13 13.37 0.50 . 1 . . . . . . . . 5595 1 88 . 1 1 10 10 ILE N N 15 122.57 0.30 . 1 . . . . . . . . 5595 1 89 . 1 1 11 11 VAL H H 1 7.47 0.02 . 1 . . . . . . . . 5595 1 90 . 1 1 11 11 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 5595 1 91 . 1 1 11 11 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 5595 1 92 . 1 1 11 11 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 5595 1 93 . 1 1 11 11 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 5595 1 94 . 1 1 11 11 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5595 1 95 . 1 1 11 11 VAL CA C 13 59.58 0.50 . 1 . . . . . . . . 5595 1 96 . 1 1 11 11 VAL CB C 13 32.63 0.50 . 1 . . . . . . . . 5595 1 97 . 1 1 11 11 VAL N N 15 126.28 0.30 . 1 . . . . . . . . 5595 1 98 . 1 1 12 12 PRO HA H 1 3.78 0.02 . 1 . . . . . . . . 5595 1 99 . 1 1 12 12 PRO HB2 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 100 . 1 1 12 12 PRO HB3 H 1 0.62 0.02 . 2 . . . . . . . . 5595 1 101 . 1 1 12 12 PRO HG2 H 1 0.54 0.02 . 2 . . . . . . . . 5595 1 102 . 1 1 12 12 PRO HG3 H 1 1.56 0.02 . 2 . . . . . . . . 5595 1 103 . 1 1 12 12 PRO HD2 H 1 3.41 0.02 . 2 . . . . . . . . 5595 1 104 . 1 1 12 12 PRO HD3 H 1 3.12 0.02 . 2 . . . . . . . . 5595 1 105 . 1 1 12 12 PRO C C 13 176.80 0.50 . 1 . . . . . . . . 5595 1 106 . 1 1 12 12 PRO CA C 13 62.62 0.50 . 1 . . . . . . . . 5595 1 107 . 1 1 12 12 PRO CB C 13 31.32 0.50 . 1 . . . . . . . . 5595 1 108 . 1 1 12 12 PRO CG C 13 26.48 0.50 . 1 . . . . . . . . 5595 1 109 . 1 1 12 12 PRO CD C 13 50.02 0.50 . 1 . . . . . . . . 5595 1 110 . 1 1 13 13 GLN H H 1 9.22 0.02 . 1 . . . . . . . . 5595 1 111 . 1 1 13 13 GLN HA H 1 4.37 0.02 . 1 . . . . . . . . 5595 1 112 . 1 1 13 13 GLN HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5595 1 113 . 1 1 13 13 GLN HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5595 1 114 . 1 1 13 13 GLN HG2 H 1 2.49 0.02 . 2 . . . . . . . . 5595 1 115 . 1 1 13 13 GLN C C 13 175.10 0.50 . 1 . . . . . . . . 5595 1 116 . 1 1 13 13 GLN CA C 13 54.15 0.50 . 1 . . . . . . . . 5595 1 117 . 1 1 13 13 GLN CB C 13 31.02 0.50 . 1 . . . . . . . . 5595 1 118 . 1 1 13 13 GLN CG C 13 34.19 0.50 . 1 . . . . . . . . 5595 1 119 . 1 1 13 13 GLN N N 15 122.88 0.3 . 1 . . . . . . . . 5595 1 120 . 1 1 14 14 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 5595 1 121 . 1 1 14 14 ASP HA H 1 5.33 0.02 . 1 . . . . . . . . 5595 1 122 . 1 1 14 14 ASP HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5595 1 123 . 1 1 14 14 ASP C C 13 175.38 0.50 . 1 . . . . . . . . 5595 1 124 . 1 1 14 14 ASP CA C 13 54.13 0.50 . 1 . . . . . . . . 5595 1 125 . 1 1 14 14 ASP CB C 13 43.05 0.50 . 1 . . . . . . . . 5595 1 126 . 1 1 14 14 ASP N N 15 117.82 0.30 . 1 . . . . . . . . 5595 1 127 . 1 1 15 15 MET H H 1 8.41 0.02 . 1 . . . . . . . . 5595 1 128 . 1 1 15 15 MET CA C 13 56.37 0.50 . 1 . . . . . . . . 5595 1 129 . 1 1 15 15 MET CB C 13 33.95 0.50 . 1 . . . . . . . . 5595 1 130 . 1 1 15 15 MET N N 15 118.64 0.30 . 1 . . . . . . . . 5595 1 131 . 1 1 17 17 PRO HA H 1 4.72 0.02 . 1 . . . . . . . . 5595 1 132 . 1 1 17 17 PRO HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5595 1 133 . 1 1 17 17 PRO HB3 H 1 2.34 0.02 . 2 . . . . . . . . 5595 1 134 . 1 1 17 17 PRO HG2 H 1 1.86 0.02 . 2 . . . . . . . . 5595 1 135 . 1 1 17 17 PRO HD2 H 1 3.51 0.02 . 1 . . . . . . . . 5595 1 136 . 1 1 17 17 PRO C C 13 176.18 0.50 . 1 . . . . . . . . 5595 1 137 . 1 1 17 17 PRO CA C 13 62.39 0.50 . 1 . . . . . . . . 5595 1 138 . 1 1 17 17 PRO CB C 13 34.40 0.50 . 1 . . . . . . . . 5595 1 139 . 1 1 17 17 PRO CG C 13 24.76 0.50 . 1 . . . . . . . . 5595 1 140 . 1 1 17 17 PRO CD C 13 50.24 0.50 . 1 . . . . . . . . 5595 1 141 . 1 1 18 18 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 5595 1 142 . 1 1 18 18 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5595 1 143 . 1 1 18 18 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5595 1 144 . 1 1 18 18 GLU HG2 H 1 2.17 0.02 . 2 . . . . . . . . 5595 1 145 . 1 1 18 18 GLU C C 13 176.66 0.50 . 1 . . . . . . . . 5595 1 146 . 1 1 18 18 GLU CA C 13 56.45 0.50 . 1 . . . . . . . . 5595 1 147 . 1 1 18 18 GLU CB C 13 30.09 0.50 . 1 . . . . . . . . 5595 1 148 . 1 1 18 18 GLU CG C 13 36.86 0.50 . 1 . . . . . . . . 5595 1 149 . 1 1 18 18 GLU N N 15 122.42 0.30 . 1 . . . . . . . . 5595 1 150 . 1 1 19 19 THR H H 1 7.61 0.02 . 1 . . . . . . . . 5595 1 151 . 1 1 19 19 THR CA C 13 64.66 0.50 . 1 . . . . . . . . 5595 1 152 . 1 1 19 19 THR CB C 13 68.84 0.50 . 1 . . . . . . . . 5595 1 153 . 1 1 19 19 THR N N 15 117.36 0.30 . 1 . . . . . . . . 5595 1 154 . 1 1 20 20 LEU C C 13 177.53 0.50 . 1 . . . . . . . . 5595 1 155 . 1 1 21 21 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 5595 1 156 . 1 1 21 21 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . 5595 1 157 . 1 1 21 21 GLY C C 13 174.77 0.50 . 1 . . . . . . . . 5595 1 158 . 1 1 21 21 GLY CA C 13 45.79 0.50 . 1 . . . . . . . . 5595 1 159 . 1 1 21 21 GLY N N 15 106.67 0.30 . 1 . . . . . . . . 5595 1 160 . 1 1 22 22 HIS H H 1 7.80 0.02 . 1 . . . . . . . . 5595 1 161 . 1 1 22 22 HIS HA H 1 5.20 0.02 . 1 . . . . . . . . 5595 1 162 . 1 1 22 22 HIS CA C 13 56.43 0.50 . 1 . . . . . . . . 5595 1 163 . 1 1 22 22 HIS CB C 13 30.70 0.50 . 1 . . . . . . . . 5595 1 164 . 1 1 22 22 HIS N N 15 119.64 0.30 . 1 . . . . . . . . 5595 1 165 . 1 1 29 29 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 5595 1 166 . 1 1 29 29 LEU HB2 H 1 1.55 0.02 . 2 . . . . . . . . 5595 1 167 . 1 1 29 29 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5595 1 168 . 1 1 29 29 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5595 1 169 . 1 1 29 29 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5595 1 170 . 1 1 29 29 LEU C C 13 176.63 0.50 . 1 . . . . . . . . 5595 1 171 . 1 1 29 29 LEU CA C 13 56.92 0.50 . 1 . . . . . . . . 5595 1 172 . 1 1 29 29 LEU CB C 13 41.67 0.50 . 1 . . . . . . . . 5595 1 173 . 1 1 29 29 LEU CG C 13 27.06 0.50 . 1 . . . . . . . . 5595 1 174 . 1 1 29 29 LEU CD1 C 13 24.38 0.50 . 2 . . . . . . . . 5595 1 175 . 1 1 29 29 LEU CD2 C 13 24.85 0.50 . 2 . . . . . . . . 5595 1 176 . 1 1 30 30 GLU H H 1 7.65 0.02 . 1 . . . . . . . . 5595 1 177 . 1 1 30 30 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 5595 1 178 . 1 1 30 30 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5595 1 179 . 1 1 30 30 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5595 1 180 . 1 1 30 30 GLU HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5595 1 181 . 1 1 30 30 GLU C C 13 175.73 0.50 . 1 . . . . . . . . 5595 1 182 . 1 1 30 30 GLU CA C 13 55.97 0.50 . 1 . . . . . . . . 5595 1 183 . 1 1 30 30 GLU CB C 13 29.96 0.50 . 1 . . . . . . . . 5595 1 184 . 1 1 30 30 GLU CG C 13 36.46 0.50 . 1 . . . . . . . . 5595 1 185 . 1 1 30 30 GLU N N 15 114.88 0.30 . 1 . . . . . . . . 5595 1 186 . 1 1 31 31 HIS H H 1 7.71 0.02 . 1 . . . . . . . . 5595 1 187 . 1 1 31 31 HIS HA H 1 5.06 0.02 . 1 . . . . . . . . 5595 1 188 . 1 1 31 31 HIS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 5595 1 189 . 1 1 31 31 HIS HB3 H 1 4.18 0.02 . 2 . . . . . . . . 5595 1 190 . 1 1 31 31 HIS CA C 13 53.54 0.50 . 1 . . . . . . . . 5595 1 191 . 1 1 31 31 HIS CB C 13 30.71 0.50 . 1 . . . . . . . . 5595 1 192 . 1 1 31 31 HIS N N 15 119.38 0.30 . 1 . . . . . . . . 5595 1 193 . 1 1 32 32 PRO HA H 1 4.71 0.02 . 1 . . . . . . . . 5595 1 194 . 1 1 32 32 PRO HB2 H 1 2.50 0.02 . 2 . . . . . . . . 5595 1 195 . 1 1 32 32 PRO HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5595 1 196 . 1 1 32 32 PRO HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5595 1 197 . 1 1 32 32 PRO HG3 H 1 2.06 0.02 . 2 . . . . . . . . 5595 1 198 . 1 1 32 32 PRO HD2 H 1 3.95 0.02 . 2 . . . . . . . . 5595 1 199 . 1 1 32 32 PRO HD3 H 1 3.81 0.02 . 2 . . . . . . . . 5595 1 200 . 1 1 32 32 PRO C C 13 175.55 0.50 . 1 . . . . . . . . 5595 1 201 . 1 1 32 32 PRO CA C 13 63.02 0.50 . 1 . . . . . . . . 5595 1 202 . 1 1 32 32 PRO CB C 13 33.89 0.50 . 1 . . . . . . . . 5595 1 203 . 1 1 32 32 PRO CG C 13 27.05 0.50 . 1 . . . . . . . . 5595 1 204 . 1 1 32 32 PRO CD C 13 50.47 0.50 . 1 . . . . . . . . 5595 1 205 . 1 1 33 33 GLY H H 1 7.85 0.02 . 1 . . . . . . . . 5595 1 206 . 1 1 33 33 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5595 1 207 . 1 1 33 33 GLY CA C 13 43.45 0.50 . 1 . . . . . . . . 5595 1 208 . 1 1 33 33 GLY N N 15 105.94 0.30 . 1 . . . . . . . . 5595 1 209 . 1 1 34 34 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 5595 1 210 . 1 1 34 34 PRO HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5595 1 211 . 1 1 34 34 PRO HG2 H 1 2.49 0.02 . 2 . . . . . . . . 5595 1 212 . 1 1 34 34 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 5595 1 213 . 1 1 34 34 PRO HD2 H 1 3.36 0.02 . 2 . . . . . . . . 5595 1 214 . 1 1 34 34 PRO C C 13 174.35 0.50 . 1 . . . . . . . . 5595 1 215 . 1 1 34 34 PRO CA C 13 62.75 0.50 . 1 . . . . . . . . 5595 1 216 . 1 1 34 34 PRO CB C 13 31.73 0.50 . 1 . . . . . . . . 5595 1 217 . 1 1 34 34 PRO CG C 13 26.99 0.50 . 1 . . . . . . . . 5595 1 218 . 1 1 35 35 LYS H H 1 8.58 0.02 . 1 . . . . . . . . 5595 1 219 . 1 1 35 35 LYS HA H 1 4.74 0.02 . 1 . . . . . . . . 5595 1 220 . 1 1 35 35 LYS HB2 H 1 2.43 0.02 . 2 . . . . . . . . 5595 1 221 . 1 1 35 35 LYS HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5595 1 222 . 1 1 35 35 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 5595 1 223 . 1 1 35 35 LYS HG3 H 1 2.34 0.02 . 2 . . . . . . . . 5595 1 224 . 1 1 35 35 LYS HE2 H 1 3.11 0.02 . 2 . . . . . . . . 5595 1 225 . 1 1 35 35 LYS C C 13 174.80 0.50 . 1 . . . . . . . . 5595 1 226 . 1 1 35 35 LYS CA C 13 53.37 0.50 . 1 . . . . . . . . 5595 1 227 . 1 1 35 35 LYS CB C 13 35.94 0.50 . 1 . . . . . . . . 5595 1 228 . 1 1 35 35 LYS CG C 13 29.19 0.50 . 1 . . . . . . . . 5595 1 229 . 1 1 35 35 LYS N N 15 117.42 0.30 . 1 . . . . . . . . 5595 1 230 . 1 1 36 36 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 5595 1 231 . 1 1 36 36 ALA HA H 1 5.90 0.02 . 1 . . . . . . . . 5595 1 232 . 1 1 36 36 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5595 1 233 . 1 1 36 36 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5595 1 234 . 1 1 36 36 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5595 1 235 . 1 1 36 36 ALA C C 13 175.21 0.50 . 1 . . . . . . . . 5595 1 236 . 1 1 36 36 ALA CA C 13 50.05 0.50 . 1 . . . . . . . . 5595 1 237 . 1 1 36 36 ALA CB C 13 26.49 0.50 . 1 . . . . . . . . 5595 1 238 . 1 1 36 36 ALA N N 15 115.89 0.30 . 1 . . . . . . . . 5595 1 239 . 1 1 37 37 GLN H H 1 9.33 0.02 . 1 . . . . . . . . 5595 1 240 . 1 1 37 37 GLN HA H 1 5.52 0.02 . 1 . . . . . . . . 5595 1 241 . 1 1 37 37 GLN HB2 H 1 0.96 0.02 . 2 . . . . . . . . 5595 1 242 . 1 1 37 37 GLN HB3 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 243 . 1 1 37 37 GLN HG2 H 1 1.60 0.02 . 2 . . . . . . . . 5595 1 244 . 1 1 37 37 GLN HG3 H 1 1.30 0.02 . 2 . . . . . . . . 5595 1 245 . 1 1 37 37 GLN C C 13 173.16 0.50 . 1 . . . . . . . . 5595 1 246 . 1 1 37 37 GLN CA C 13 53.39 0.50 . 1 . . . . . . . . 5595 1 247 . 1 1 37 37 GLN CB C 13 33.30 0.50 . 1 . . . . . . . . 5595 1 248 . 1 1 37 37 GLN CG C 13 34.91 0.50 . 1 . . . . . . . . 5595 1 249 . 1 1 37 37 GLN N N 15 116.98 0.30 . 1 . . . . . . . . 5595 1 250 . 1 1 38 38 ILE H H 1 9.07 0.02 . 1 . . . . . . . . 5595 1 251 . 1 1 38 38 ILE HA H 1 4.69 0.02 . 1 . . . . . . . . 5595 1 252 . 1 1 38 38 ILE HB H 1 1.53 0.02 . 4 . . . . . . . . 5595 1 253 . 1 1 38 38 ILE HG12 H 1 1.48 0.02 . 4 . . . . . . . . 5595 1 254 . 1 1 38 38 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5595 1 255 . 1 1 38 38 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5595 1 256 . 1 1 38 38 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5595 1 257 . 1 1 38 38 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 5595 1 258 . 1 1 38 38 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 5595 1 259 . 1 1 38 38 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 5595 1 260 . 1 1 38 38 ILE C C 13 174.52 0.50 . 1 . . . . . . . . 5595 1 261 . 1 1 38 38 ILE CA C 13 60.97 0.50 . 1 . . . . . . . . 5595 1 262 . 1 1 38 38 ILE CB C 13 41.81 0.50 . 1 . . . . . . . . 5595 1 263 . 1 1 38 38 ILE CG1 C 13 18.27 0.50 . 1 . . . . . . . . 5595 1 264 . 1 1 38 38 ILE CG2 C 13 14.71 0.50 . 1 . . . . . . . . 5595 1 265 . 1 1 38 38 ILE CD1 C 13 12.73 0.50 . 1 . . . . . . . . 5595 1 266 . 1 1 38 38 ILE N N 15 121.70 0.30 . 1 . . . . . . . . 5595 1 267 . 1 1 39 39 PHE H H 1 8.36 0.02 . 1 . . . . . . . . 5595 1 268 . 1 1 39 39 PHE HA H 1 4.77 0.02 . 1 . . . . . . . . 5595 1 269 . 1 1 39 39 PHE HB2 H 1 2.81 0.02 . 2 . . . . . . . . 5595 1 270 . 1 1 39 39 PHE C C 13 175.06 0.50 . 1 . . . . . . . . 5595 1 271 . 1 1 39 39 PHE CA C 13 57.41 0.50 . 1 . . . . . . . . 5595 1 272 . 1 1 39 39 PHE CB C 13 40.98 0.50 . 1 . . . . . . . . 5595 1 273 . 1 1 39 39 PHE N N 15 124.12 0.30 . 1 . . . . . . . . 5595 1 274 . 1 1 40 40 LEU H H 1 9.54 0.02 . 1 . . . . . . . . 5595 1 275 . 1 1 40 40 LEU HA H 1 4.95 0.02 . 1 . . . . . . . . 5595 1 276 . 1 1 40 40 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5595 1 277 . 1 1 40 40 LEU HB3 H 1 1.31 0.02 . 2 . . . . . . . . 5595 1 278 . 1 1 40 40 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5595 1 279 . 1 1 40 40 LEU HD11 H 1 0.97 0.02 . 2 . . . . . . . . 5595 1 280 . 1 1 40 40 LEU HD12 H 1 0.97 0.02 . 2 . . . . . . . . 5595 1 281 . 1 1 40 40 LEU HD13 H 1 0.97 0.02 . 2 . . . . . . . . 5595 1 282 . 1 1 40 40 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 5595 1 283 . 1 1 40 40 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 5595 1 284 . 1 1 40 40 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 5595 1 285 . 1 1 40 40 LEU C C 13 177.64 0.50 . 1 . . . . . . . . 5595 1 286 . 1 1 40 40 LEU CA C 13 52.67 0.50 . 1 . . . . . . . . 5595 1 287 . 1 1 40 40 LEU CB C 13 43.99 0.50 . 1 . . . . . . . . 5595 1 288 . 1 1 40 40 LEU CG C 13 27.10 0.50 . 1 . . . . . . . . 5595 1 289 . 1 1 40 40 LEU CD1 C 13 24.97 0.50 . 2 . . . . . . . . 5595 1 290 . 1 1 40 40 LEU CD2 C 13 25.53 0.50 . 2 . . . . . . . . 5595 1 291 . 1 1 40 40 LEU N N 15 124.64 0.30 . 1 . . . . . . . . 5595 1 292 . 1 1 41 41 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 5595 1 293 . 1 1 41 41 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 5595 1 294 . 1 1 41 41 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5595 1 295 . 1 1 41 41 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5595 1 296 . 1 1 41 41 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 5595 1 297 . 1 1 41 41 GLU HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5595 1 298 . 1 1 41 41 GLU C C 13 177.53 0.50 . 1 . . . . . . . . 5595 1 299 . 1 1 41 41 GLU CA C 13 58.34 0.50 . 1 . . . . . . . . 5595 1 300 . 1 1 41 41 GLU CB C 13 30.59 0.50 . 1 . . . . . . . . 5595 1 301 . 1 1 41 41 GLU CG C 13 36.42 0.50 . 1 . . . . . . . . 5595 1 302 . 1 1 41 41 GLU N N 15 123.56 0.30 . 1 . . . . . . . . 5595 1 303 . 1 1 42 42 GLY H H 1 8.98 0.02 . 1 . . . . . . . . 5595 1 304 . 1 1 42 42 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 5595 1 305 . 1 1 42 42 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 5595 1 306 . 1 1 42 42 GLY C C 13 174.17 0.50 . 1 . . . . . . . . 5595 1 307 . 1 1 42 42 GLY CA C 13 45.43 0.50 . 1 . . . . . . . . 5595 1 308 . 1 1 42 42 GLY N N 15 114.82 0.30 . 1 . . . . . . . . 5595 1 309 . 1 1 43 43 SER H H 1 7.46 0.02 . 1 . . . . . . . . 5595 1 310 . 1 1 43 43 SER HA H 1 5.11 0.02 . 1 . . . . . . . . 5595 1 311 . 1 1 43 43 SER HB2 H 1 4.25 0.02 . 2 . . . . . . . . 5595 1 312 . 1 1 43 43 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 5595 1 313 . 1 1 43 43 SER CA C 13 55.29 0.50 . 1 . . . . . . . . 5595 1 314 . 1 1 43 43 SER CB C 13 64.74 0.50 . 1 . . . . . . . . 5595 1 315 . 1 1 43 43 SER N N 15 115.26 0.30 . 1 . . . . . . . . 5595 1 316 . 1 1 44 44 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 5595 1 317 . 1 1 44 44 PRO HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5595 1 318 . 1 1 44 44 PRO HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5595 1 319 . 1 1 44 44 PRO HD2 H 1 3.97 0.02 . 2 . . . . . . . . 5595 1 320 . 1 1 44 44 PRO HD3 H 1 3.81 0.02 . 2 . . . . . . . . 5595 1 321 . 1 1 44 44 PRO C C 13 175.81 0.50 . 1 . . . . . . . . 5595 1 322 . 1 1 44 44 PRO CA C 13 64.16 0.50 . 1 . . . . . . . . 5595 1 323 . 1 1 44 44 PRO CB C 13 32.33 0.50 . 1 . . . . . . . . 5595 1 324 . 1 1 44 44 PRO CG C 13 26.88 0.50 . 1 . . . . . . . . 5595 1 325 . 1 1 44 44 PRO CD C 13 51.13 0.50 . 1 . . . . . . . . 5595 1 326 . 1 1 45 45 ALA H H 1 7.47 0.02 . 1 . . . . . . . . 5595 1 327 . 1 1 45 45 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 5595 1 328 . 1 1 45 45 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 5595 1 329 . 1 1 45 45 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 5595 1 330 . 1 1 45 45 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 5595 1 331 . 1 1 45 45 ALA CA C 13 48.78 0.50 . 1 . . . . . . . . 5595 1 332 . 1 1 45 45 ALA CB C 13 19.27 0.50 . 1 . . . . . . . . 5595 1 333 . 1 1 45 45 ALA N N 15 120.92 0.30 . 1 . . . . . . . . 5595 1 334 . 1 1 46 46 PRO HA H 1 4.10 0.02 . 1 . . . . . . . . 5595 1 335 . 1 1 46 46 PRO HB2 H 1 0.41 0.02 . 2 . . . . . . . . 5595 1 336 . 1 1 46 46 PRO HG2 H 1 1.14 0.02 . 2 . . . . . . . . 5595 1 337 . 1 1 46 46 PRO HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5595 1 338 . 1 1 46 46 PRO HD2 H 1 3.44 0.02 . 2 . . . . . . . . 5595 1 339 . 1 1 46 46 PRO C C 13 175.41 0.50 . 1 . . . . . . . . 5595 1 340 . 1 1 46 46 PRO CA C 13 61.59 0.50 . 1 . . . . . . . . 5595 1 341 . 1 1 46 46 PRO CB C 13 31.06 0.50 . 1 . . . . . . . . 5595 1 342 . 1 1 46 46 PRO CG C 13 25.76 0.50 . 1 . . . . . . . . 5595 1 343 . 1 1 46 46 PRO CD C 13 49.83 0.50 . 1 . . . . . . . . 5595 1 344 . 1 1 47 47 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 5595 1 345 . 1 1 47 47 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5595 1 346 . 1 1 47 47 LEU HB2 H 1 1.27 0.02 . 2 . . . . . . . . 5595 1 347 . 1 1 47 47 LEU HD11 H 1 0.31 0.02 . 2 . . . . . . . . 5595 1 348 . 1 1 47 47 LEU HD12 H 1 0.31 0.02 . 2 . . . . . . . . 5595 1 349 . 1 1 47 47 LEU HD13 H 1 0.31 0.02 . 2 . . . . . . . . 5595 1 350 . 1 1 47 47 LEU C C 13 176.12 0.50 . 1 . . . . . . . . 5595 1 351 . 1 1 47 47 LEU CA C 13 53.71 0.50 . 1 . . . . . . . . 5595 1 352 . 1 1 47 47 LEU CB C 13 44.09 0.50 . 1 . . . . . . . . 5595 1 353 . 1 1 47 47 LEU CD1 C 13 24.44 0.50 . 2 . . . . . . . . 5595 1 354 . 1 1 47 47 LEU N N 15 118.60 0.30 . 1 . . . . . . . . 5595 1 355 . 1 1 48 48 PHE H H 1 8.67 0.02 . 1 . . . . . . . . 5595 1 356 . 1 1 48 48 PHE HA H 1 5.19 0.02 . 1 . . . . . . . . 5595 1 357 . 1 1 48 48 PHE HB2 H 1 2.74 0.02 . 2 . . . . . . . . 5595 1 358 . 1 1 48 48 PHE HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5595 1 359 . 1 1 48 48 PHE C C 13 175.02 0.50 . 1 . . . . . . . . 5595 1 360 . 1 1 48 48 PHE CA C 13 57.57 0.50 . 1 . . . . . . . . 5595 1 361 . 1 1 48 48 PHE CB C 13 42.98 0.50 . 1 . . . . . . . . 5595 1 362 . 1 1 48 48 PHE N N 15 120.90 0.30 . 1 . . . . . . . . 5595 1 363 . 1 1 49 49 PHE H H 1 8.92 0.02 . 1 . . . . . . . . 5595 1 364 . 1 1 49 49 PHE HA H 1 5.09 0.02 . 1 . . . . . . . . 5595 1 365 . 1 1 49 49 PHE HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5595 1 366 . 1 1 49 49 PHE CA C 13 57.32 0.50 . 1 . . . . . . . . 5595 1 367 . 1 1 49 49 PHE CB C 13 43.24 0.50 . 1 . . . . . . . . 5595 1 368 . 1 1 49 49 PHE N N 15 117.10 0.30 . 1 . . . . . . . . 5595 1 369 . 1 1 50 50 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 5595 1 370 . 1 1 50 50 SER HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5595 1 371 . 1 1 50 50 SER HB3 H 1 3.81 0.02 . 2 . . . . . . . . 5595 1 372 . 1 1 50 50 SER C C 13 173.33 0.50 . 1 . . . . . . . . 5595 1 373 . 1 1 50 50 SER CA C 13 59.59 0.50 . 1 . . . . . . . . 5595 1 374 . 1 1 50 50 SER CB C 13 64.18 0.50 . 1 . . . . . . . . 5595 1 375 . 1 1 51 51 GLN H H 1 8.06 0.02 . 1 . . . . . . . . 5595 1 376 . 1 1 51 51 GLN HA H 1 5.32 0.02 . 1 . . . . . . . . 5595 1 377 . 1 1 51 51 GLN HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5595 1 378 . 1 1 51 51 GLN HG2 H 1 2.73 0.02 . 2 . . . . . . . . 5595 1 379 . 1 1 51 51 GLN C C 13 177.06 0.50 . 1 . . . . . . . . 5595 1 380 . 1 1 51 51 GLN CA C 13 54.80 0.50 . 1 . . . . . . . . 5595 1 381 . 1 1 51 51 GLN CB C 13 32.18 0.50 . 1 . . . . . . . . 5595 1 382 . 1 1 51 51 GLN CG C 13 36.44 0.50 . 1 . . . . . . . . 5595 1 383 . 1 1 51 51 GLN N N 15 121.15 0.30 . 1 . . . . . . . . 5595 1 384 . 1 1 52 52 VAL H H 1 10.46 0.02 . 1 . . . . . . . . 5595 1 385 . 1 1 52 52 VAL HA H 1 3.37 0.02 . 1 . . . . . . . . 5595 1 386 . 1 1 52 52 VAL HB H 1 2.61 0.02 . 1 . . . . . . . . 5595 1 387 . 1 1 52 52 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 5595 1 388 . 1 1 52 52 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5595 1 389 . 1 1 52 52 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 5595 1 390 . 1 1 52 52 VAL C C 13 180.22 0.50 . 1 . . . . . . . . 5595 1 391 . 1 1 52 52 VAL CA C 13 67.21 0.50 . 1 . . . . . . . . 5595 1 392 . 1 1 52 52 VAL CB C 13 31.00 0.50 . 1 . . . . . . . . 5595 1 393 . 1 1 52 52 VAL CG1 C 13 23.84 0.50 . 2 . . . . . . . . 5595 1 394 . 1 1 52 52 VAL CG2 C 13 22.27 0.50 . 2 . . . . . . . . 5595 1 395 . 1 1 52 52 VAL N N 15 130.78 0.30 . 1 . . . . . . . . 5595 1 396 . 1 1 53 53 ARG H H 1 10.54 0.02 . 1 . . . . . . . . 5595 1 397 . 1 1 53 53 ARG HA H 1 3.71 0.02 . 1 . . . . . . . . 5595 1 398 . 1 1 53 53 ARG HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5595 1 399 . 1 1 53 53 ARG HB3 H 1 1.84 0.02 . 4 . . . . . . . . 5595 1 400 . 1 1 53 53 ARG HG2 H 1 1.84 0.02 . 4 . . . . . . . . 5595 1 401 . 1 1 53 53 ARG HG3 H 1 1.61 0.02 . 2 . . . . . . . . 5595 1 402 . 1 1 53 53 ARG HD2 H 1 3.20 0.02 . 2 . . . . . . . . 5595 1 403 . 1 1 53 53 ARG HD3 H 1 3.13 0.02 . 2 . . . . . . . . 5595 1 404 . 1 1 53 53 ARG C C 13 176.81 0.50 . 1 . . . . . . . . 5595 1 405 . 1 1 53 53 ARG CA C 13 59.49 0.50 . 1 . . . . . . . . 5595 1 406 . 1 1 53 53 ARG CB C 13 29.88 0.50 . 1 . . . . . . . . 5595 1 407 . 1 1 53 53 ARG CG C 13 26.42 0.50 . 1 . . . . . . . . 5595 1 408 . 1 1 53 53 ARG CD C 13 43.66 0.50 . 1 . . . . . . . . 5595 1 409 . 1 1 53 53 ARG N N 15 119.10 0.30 . 1 . . . . . . . . 5595 1 410 . 1 1 54 54 ASP H H 1 6.81 0.02 . 1 . . . . . . . . 5595 1 411 . 1 1 54 54 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 5595 1 412 . 1 1 54 54 ASP HB2 H 1 3.23 0.02 . 2 . . . . . . . . 5595 1 413 . 1 1 54 54 ASP HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5595 1 414 . 1 1 54 54 ASP C C 13 177.93 0.50 . 1 . . . . . . . . 5595 1 415 . 1 1 54 54 ASP CA C 13 56.78 0.50 . 1 . . . . . . . . 5595 1 416 . 1 1 54 54 ASP CB C 13 41.07 0.50 . 1 . . . . . . . . 5595 1 417 . 1 1 54 54 ASP N N 15 116.62 0.30 . 1 . . . . . . . . 5595 1 418 . 1 1 55 55 ALA H H 1 7.11 0.02 . 1 . . . . . . . . 5595 1 419 . 1 1 55 55 ALA HA H 1 2.57 0.02 . 1 . . . . . . . . 5595 1 420 . 1 1 55 55 ALA HB1 H 1 0.90 0.02 . 1 . . . . . . . . 5595 1 421 . 1 1 55 55 ALA HB2 H 1 0.90 0.02 . 1 . . . . . . . . 5595 1 422 . 1 1 55 55 ALA HB3 H 1 0.90 0.02 . 1 . . . . . . . . 5595 1 423 . 1 1 55 55 ALA C C 13 178.17 0.50 . 1 . . . . . . . . 5595 1 424 . 1 1 55 55 ALA CA C 13 53.87 0.50 . 1 . . . . . . . . 5595 1 425 . 1 1 55 55 ALA CB C 13 19.10 0.50 . 1 . . . . . . . . 5595 1 426 . 1 1 55 55 ALA N N 15 123.98 0.30 . 1 . . . . . . . . 5595 1 427 . 1 1 56 56 ILE H H 1 7.63 0.02 . 1 . . . . . . . . 5595 1 428 . 1 1 56 56 ILE HA H 1 3.25 0.02 . 1 . . . . . . . . 5595 1 429 . 1 1 56 56 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 5595 1 430 . 1 1 56 56 ILE HG21 H 1 0.57 0.02 . 1 . . . . . . . . 5595 1 431 . 1 1 56 56 ILE HG22 H 1 0.57 0.02 . 1 . . . . . . . . 5595 1 432 . 1 1 56 56 ILE HG23 H 1 0.57 0.02 . 1 . . . . . . . . 5595 1 433 . 1 1 56 56 ILE HD11 H 1 0.23 0.02 . 1 . . . . . . . . 5595 1 434 . 1 1 56 56 ILE HD12 H 1 0.23 0.02 . 1 . . . . . . . . 5595 1 435 . 1 1 56 56 ILE HD13 H 1 0.23 0.02 . 1 . . . . . . . . 5595 1 436 . 1 1 56 56 ILE C C 13 176.61 0.50 . 1 . . . . . . . . 5595 1 437 . 1 1 56 56 ILE CA C 13 65.16 0.50 . 1 . . . . . . . . 5595 1 438 . 1 1 56 56 ILE CB C 13 37.12 0.50 . 1 . . . . . . . . 5595 1 439 . 1 1 56 56 ILE CG2 C 13 17.58 0.50 . 1 . . . . . . . . 5595 1 440 . 1 1 56 56 ILE CD1 C 13 12.46 0.50 . 1 . . . . . . . . 5595 1 441 . 1 1 56 56 ILE N N 15 116.27 0.30 . 1 . . . . . . . . 5595 1 442 . 1 1 57 57 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 5595 1 443 . 1 1 57 57 ALA HA H 1 3.70 0.02 . 1 . . . . . . . . 5595 1 444 . 1 1 57 57 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5595 1 445 . 1 1 57 57 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5595 1 446 . 1 1 57 57 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5595 1 447 . 1 1 57 57 ALA C C 13 180.70 0.50 . 1 . . . . . . . . 5595 1 448 . 1 1 57 57 ALA CA C 13 55.64 0.50 . 1 . . . . . . . . 5595 1 449 . 1 1 57 57 ALA CB C 13 18.49 0.50 . 1 . . . . . . . . 5595 1 450 . 1 1 57 57 ALA N N 15 120.62 0.30 . 1 . . . . . . . . 5595 1 451 . 1 1 58 58 TYR H H 1 8.24 0.02 . 1 . . . . . . . . 5595 1 452 . 1 1 58 58 TYR HA H 1 3.86 0.02 . 1 . . . . . . . . 5595 1 453 . 1 1 58 58 TYR HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5595 1 454 . 1 1 58 58 TYR HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5595 1 455 . 1 1 58 58 TYR C C 13 178.58 0.50 . 1 . . . . . . . . 5595 1 456 . 1 1 58 58 TYR CA C 13 61.92 0.50 . 1 . . . . . . . . 5595 1 457 . 1 1 58 58 TYR CB C 13 38.27 0.50 . 1 . . . . . . . . 5595 1 458 . 1 1 58 58 TYR N N 15 120.49 0.30 . 1 . . . . . . . . 5595 1 459 . 1 1 59 59 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 5595 1 460 . 1 1 59 59 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 5595 1 461 . 1 1 59 59 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5595 1 462 . 1 1 59 59 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5595 1 463 . 1 1 59 59 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5595 1 464 . 1 1 59 59 ALA C C 13 177.98 0.50 . 1 . . . . . . . . 5595 1 465 . 1 1 59 59 ALA CA C 13 54.10 0.50 . 1 . . . . . . . . 5595 1 466 . 1 1 59 59 ALA CB C 13 18.62 0.50 . 1 . . . . . . . . 5595 1 467 . 1 1 59 59 ALA N N 15 120.55 0.30 . 1 . . . . . . . . 5595 1 468 . 1 1 60 60 ARG H H 1 7.57 0.02 . 1 . . . . . . . . 5595 1 469 . 1 1 60 60 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . 5595 1 470 . 1 1 60 60 ARG HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5595 1 471 . 1 1 60 60 ARG HB3 H 1 1.59 0.02 . 4 . . . . . . . . 5595 1 472 . 1 1 60 60 ARG HG2 H 1 1.58 0.02 . 4 . . . . . . . . 5595 1 473 . 1 1 60 60 ARG HD2 H 1 3.08 0.02 . 2 . . . . . . . . 5595 1 474 . 1 1 60 60 ARG HD3 H 1 2.91 0.02 . 2 . . . . . . . . 5595 1 475 . 1 1 60 60 ARG C C 13 176.79 0.50 . 1 . . . . . . . . 5595 1 476 . 1 1 60 60 ARG CA C 13 55.13 0.50 . 1 . . . . . . . . 5595 1 477 . 1 1 60 60 ARG CB C 13 30.69 0.50 . 1 . . . . . . . . 5595 1 478 . 1 1 60 60 ARG CG C 13 26.81 0.50 . 1 . . . . . . . . 5595 1 479 . 1 1 60 60 ARG CD C 13 43.00 0.50 . 1 . . . . . . . . 5595 1 480 . 1 1 60 60 ARG N N 15 114.88 0.30 . 1 . . . . . . . . 5595 1 481 . 1 1 61 61 GLY H H 1 7.35 0.02 . 1 . . . . . . . . 5595 1 482 . 1 1 61 61 GLY HA2 H 1 4.17 0.02 . 2 . . . . . . . . 5595 1 483 . 1 1 61 61 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 5595 1 484 . 1 1 61 61 GLY CA C 13 44.88 0.50 . 1 . . . . . . . . 5595 1 485 . 1 1 61 61 GLY N N 15 108.32 0.30 . 1 . . . . . . . . 5595 1 486 . 1 1 62 62 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 5595 1 487 . 1 1 62 62 PRO HB2 H 1 2.19 0.02 . 2 . . . . . . . . 5595 1 488 . 1 1 62 62 PRO HB3 H 1 1.96 0.02 . 4 . . . . . . . . 5595 1 489 . 1 1 62 62 PRO HG2 H 1 1.97 0.02 . 4 . . . . . . . . 5595 1 490 . 1 1 62 62 PRO HD2 H 1 3.63 0.02 . 2 . . . . . . . . 5595 1 491 . 1 1 62 62 PRO CA C 13 63.83 0.50 . 1 . . . . . . . . 5595 1 492 . 1 1 62 62 PRO CB C 13 32.23 0.50 . 1 . . . . . . . . 5595 1 493 . 1 1 62 62 PRO CG C 13 26.96 0.50 . 1 . . . . . . . . 5595 1 494 . 1 1 62 62 PRO CD C 13 49.94 0.50 . 1 . . . . . . . . 5595 1 495 . 1 1 63 63 GLU H H 1 8.09 0.02 . 1 . . . . . . . . 5595 1 496 . 1 1 63 63 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 5595 1 497 . 1 1 63 63 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5595 1 498 . 1 1 63 63 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5595 1 499 . 1 1 63 63 GLU C C 13 175.58 0.50 . 1 . . . . . . . . 5595 1 500 . 1 1 63 63 GLU CA C 13 56.04 0.50 . 1 . . . . . . . . 5595 1 501 . 1 1 63 63 GLU CB C 13 29.60 0.50 . 1 . . . . . . . . 5595 1 502 . 1 1 63 63 GLU CG C 13 36.36 0.50 . 1 . . . . . . . . 5595 1 503 . 1 1 63 63 GLU N N 15 119.72 0.30 . 1 . . . . . . . . 5595 1 504 . 1 1 64 64 GLN H H 1 8.01 0.02 . 1 . . . . . . . . 5595 1 505 . 1 1 64 64 GLN HA H 1 4.26 0.02 . 1 . . . . . . . . 5595 1 506 . 1 1 64 64 GLN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5595 1 507 . 1 1 64 64 GLN HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5595 1 508 . 1 1 64 64 GLN HG2 H 1 2.16 0.02 . 2 . . . . . . . . 5595 1 509 . 1 1 64 64 GLN C C 13 176.53 0.50 . 1 . . . . . . . . 5595 1 510 . 1 1 64 64 GLN CA C 13 54.75 0.50 . 1 . . . . . . . . 5595 1 511 . 1 1 64 64 GLN CB C 13 29.42 0.50 . 1 . . . . . . . . 5595 1 512 . 1 1 64 64 GLN CG C 13 33.15 0.50 . 1 . . . . . . . . 5595 1 513 . 1 1 64 64 GLN N N 15 122.56 0.30 . 1 . . . . . . . . 5595 1 514 . 1 1 65 65 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 5595 1 515 . 1 1 65 65 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 5595 1 516 . 1 1 65 65 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5595 1 517 . 1 1 65 65 ILE HG12 H 1 1.22 0.02 . 2 . . . . . . . . 5595 1 518 . 1 1 65 65 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5595 1 519 . 1 1 65 65 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5595 1 520 . 1 1 65 65 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5595 1 521 . 1 1 65 65 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 5595 1 522 . 1 1 65 65 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 5595 1 523 . 1 1 65 65 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 5595 1 524 . 1 1 65 65 ILE C C 13 175.28 0.50 . 1 . . . . . . . . 5595 1 525 . 1 1 65 65 ILE CA C 13 62.80 0.50 . 1 . . . . . . . . 5595 1 526 . 1 1 65 65 ILE CB C 13 39.06 0.50 . 1 . . . . . . . . 5595 1 527 . 1 1 65 65 ILE CG1 C 13 27.57 0.50 . 1 . . . . . . . . 5595 1 528 . 1 1 65 65 ILE CG2 C 13 17.69 0.50 . 1 . . . . . . . . 5595 1 529 . 1 1 65 65 ILE CD1 C 13 13.47 0.50 . 1 . . . . . . . . 5595 1 530 . 1 1 65 65 ILE N N 15 121.80 0.30 . 1 . . . . . . . . 5595 1 531 . 1 1 66 66 ALA H H 1 7.61 0.02 . 1 . . . . . . . . 5595 1 532 . 1 1 66 66 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 5595 1 533 . 1 1 66 66 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5595 1 534 . 1 1 66 66 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5595 1 535 . 1 1 66 66 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5595 1 536 . 1 1 66 66 ALA CA C 13 50.37 0.50 . 1 . . . . . . . . 5595 1 537 . 1 1 66 66 ALA CB C 13 20.58 0.50 . 1 . . . . . . . . 5595 1 538 . 1 1 66 66 ALA N N 15 122.34 0.30 . 1 . . . . . . . . 5595 1 539 . 1 1 67 67 PRO HA H 1 4.33 0.02 . 1 . . . . . . . . 5595 1 540 . 1 1 67 67 PRO HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5595 1 541 . 1 1 67 67 PRO HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5595 1 542 . 1 1 67 67 PRO HG2 H 1 1.89 0.02 . 2 . . . . . . . . 5595 1 543 . 1 1 67 67 PRO HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5595 1 544 . 1 1 67 67 PRO HD2 H 1 3.80 0.02 . 2 . . . . . . . . 5595 1 545 . 1 1 67 67 PRO HD3 H 1 3.53 0.02 . 2 . . . . . . . . 5595 1 546 . 1 1 67 67 PRO C C 13 175.87 0.50 . 1 . . . . . . . . 5595 1 547 . 1 1 67 67 PRO CA C 13 63.15 0.50 . 1 . . . . . . . . 5595 1 548 . 1 1 67 67 PRO CB C 13 32.31 0.50 . 1 . . . . . . . . 5595 1 549 . 1 1 67 67 PRO CG C 13 27.83 0.50 . 1 . . . . . . . . 5595 1 550 . 1 1 67 67 PRO CD C 13 50.88 0.50 . 1 . . . . . . . . 5595 1 551 . 1 1 68 68 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 5595 1 552 . 1 1 68 68 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 5595 1 553 . 1 1 68 68 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 5595 1 554 . 1 1 68 68 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5595 1 555 . 1 1 68 68 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5595 1 556 . 1 1 68 68 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5595 1 557 . 1 1 68 68 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5595 1 558 . 1 1 68 68 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5595 1 559 . 1 1 68 68 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5595 1 560 . 1 1 68 68 ILE C C 13 177.22 0.50 . 1 . . . . . . . . 5595 1 561 . 1 1 68 68 ILE CA C 13 62.27 0.50 . 1 . . . . . . . . 5595 1 562 . 1 1 68 68 ILE CB C 13 39.15 0.50 . 1 . . . . . . . . 5595 1 563 . 1 1 68 68 ILE CG2 C 13 17.59 0.50 . 1 . . . . . . . . 5595 1 564 . 1 1 68 68 ILE CD1 C 13 14.31 0.50 . 1 . . . . . . . . 5595 1 565 . 1 1 68 68 ILE N N 15 122.75 0.30 . 1 . . . . . . . . 5595 1 566 . 1 1 69 69 LEU H H 1 9.27 0.02 . 1 . . . . . . . . 5595 1 567 . 1 1 69 69 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 5595 1 568 . 1 1 69 69 LEU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 5595 1 569 . 1 1 69 69 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 5595 1 570 . 1 1 69 69 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5595 1 571 . 1 1 69 69 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 5595 1 572 . 1 1 69 69 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 5595 1 573 . 1 1 69 69 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 5595 1 574 . 1 1 69 69 LEU C C 13 176.76 0.50 . 1 . . . . . . . . 5595 1 575 . 1 1 69 69 LEU CA C 13 56.29 0.50 . 1 . . . . . . . . 5595 1 576 . 1 1 69 69 LEU CB C 13 43.59 0.50 . 1 . . . . . . . . 5595 1 577 . 1 1 69 69 LEU CG C 13 26.61 0.50 . 1 . . . . . . . . 5595 1 578 . 1 1 69 69 LEU CD1 C 13 26.07 0.50 . 2 . . . . . . . . 5595 1 579 . 1 1 69 69 LEU CD2 C 13 22.78 0.50 . 2 . . . . . . . . 5595 1 580 . 1 1 69 69 LEU N N 15 128.40 0.30 . 1 . . . . . . . . 5595 1 581 . 1 1 70 70 VAL H H 1 7.21 0.02 . 1 . . . . . . . . 5595 1 582 . 1 1 70 70 VAL HA H 1 4.22 0.02 . 1 . . . . . . . . 5595 1 583 . 1 1 70 70 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5595 1 584 . 1 1 70 70 VAL HG11 H 1 0.59 0.02 . 2 . . . . . . . . 5595 1 585 . 1 1 70 70 VAL HG12 H 1 0.59 0.02 . 2 . . . . . . . . 5595 1 586 . 1 1 70 70 VAL HG13 H 1 0.59 0.02 . 2 . . . . . . . . 5595 1 587 . 1 1 70 70 VAL HG21 H 1 0.45 0.02 . 2 . . . . . . . . 5595 1 588 . 1 1 70 70 VAL HG22 H 1 0.45 0.02 . 2 . . . . . . . . 5595 1 589 . 1 1 70 70 VAL HG23 H 1 0.45 0.02 . 2 . . . . . . . . 5595 1 590 . 1 1 70 70 VAL C C 13 171.06 0.50 . 1 . . . . . . . . 5595 1 591 . 1 1 70 70 VAL CA C 13 61.12 0.50 . 1 . . . . . . . . 5595 1 592 . 1 1 70 70 VAL CB C 13 33.09 0.50 . 1 . . . . . . . . 5595 1 593 . 1 1 70 70 VAL CG1 C 13 20.29 0.50 . 2 . . . . . . . . 5595 1 594 . 1 1 70 70 VAL N N 15 114.57 0.30 . 1 . . . . . . . . 5595 1 595 . 1 1 71 71 ILE H H 1 7.66 0.02 . 1 . . . . . . . . 5595 1 596 . 1 1 71 71 ILE HA H 1 4.83 0.02 . 1 . . . . . . . . 5595 1 597 . 1 1 71 71 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 5595 1 598 . 1 1 71 71 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . 5595 1 599 . 1 1 71 71 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5595 1 600 . 1 1 71 71 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5595 1 601 . 1 1 71 71 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5595 1 602 . 1 1 71 71 ILE HD11 H 1 0.62 0.02 . 1 . . . . . . . . 5595 1 603 . 1 1 71 71 ILE HD12 H 1 0.62 0.02 . 1 . . . . . . . . 5595 1 604 . 1 1 71 71 ILE HD13 H 1 0.62 0.02 . 1 . . . . . . . . 5595 1 605 . 1 1 71 71 ILE C C 13 175.17 0.50 . 1 . . . . . . . . 5595 1 606 . 1 1 71 71 ILE CA C 13 59.96 0.50 . 1 . . . . . . . . 5595 1 607 . 1 1 71 71 ILE CB C 13 40.19 0.50 . 1 . . . . . . . . 5595 1 608 . 1 1 71 71 ILE CG1 C 13 19.14 0.50 . 1 . . . . . . . . 5595 1 609 . 1 1 71 71 ILE CG2 C 13 15.50 0.50 . 1 . . . . . . . . 5595 1 610 . 1 1 71 71 ILE CD1 C 13 13.21 0.50 . 1 . . . . . . . . 5595 1 611 . 1 1 71 71 ILE N N 15 124.59 0.30 . 1 . . . . . . . . 5595 1 612 . 1 1 72 72 TYR H H 1 9.37 0.02 . 1 . . . . . . . . 5595 1 613 . 1 1 72 72 TYR HA H 1 5.71 0.02 . 1 . . . . . . . . 5595 1 614 . 1 1 72 72 TYR HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5595 1 615 . 1 1 72 72 TYR HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5595 1 616 . 1 1 72 72 TYR C C 13 175.45 0.50 . 1 . . . . . . . . 5595 1 617 . 1 1 72 72 TYR CA C 13 56.45 0.50 . 1 . . . . . . . . 5595 1 618 . 1 1 72 72 TYR CB C 13 42.77 0.50 . 1 . . . . . . . . 5595 1 619 . 1 1 72 72 TYR N N 15 124.25 0.30 . 1 . . . . . . . . 5595 1 620 . 1 1 73 73 VAL H H 1 9.68 0.02 . 1 . . . . . . . . 5595 1 621 . 1 1 73 73 VAL HA H 1 5.75 0.02 . 1 . . . . . . . . 5595 1 622 . 1 1 73 73 VAL HB H 1 2.33 0.02 . 1 . . . . . . . . 5595 1 623 . 1 1 73 73 VAL HG11 H 1 1.06 0.02 . 2 . . . . . . . . 5595 1 624 . 1 1 73 73 VAL HG12 H 1 1.06 0.02 . 2 . . . . . . . . 5595 1 625 . 1 1 73 73 VAL HG13 H 1 1.06 0.02 . 2 . . . . . . . . 5595 1 626 . 1 1 73 73 VAL HG21 H 1 0.62 0.02 . 2 . . . . . . . . 5595 1 627 . 1 1 73 73 VAL HG22 H 1 0.62 0.02 . 2 . . . . . . . . 5595 1 628 . 1 1 73 73 VAL HG23 H 1 0.62 0.02 . 2 . . . . . . . . 5595 1 629 . 1 1 73 73 VAL C C 13 175.50 0.50 . 1 . . . . . . . . 5595 1 630 . 1 1 73 73 VAL CA C 13 58.36 0.50 . 1 . . . . . . . . 5595 1 631 . 1 1 73 73 VAL CB C 13 36.50 0.50 . 1 . . . . . . . . 5595 1 632 . 1 1 73 73 VAL CG1 C 13 23.00 0.50 . 2 . . . . . . . . 5595 1 633 . 1 1 73 73 VAL CG2 C 13 18.94 0.50 . 2 . . . . . . . . 5595 1 634 . 1 1 73 73 VAL N N 15 111.74 0.30 . 1 . . . . . . . . 5595 1 635 . 1 1 74 74 ASN H H 1 7.31 0.02 . 1 . . . . . . . . 5595 1 636 . 1 1 74 74 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 5595 1 637 . 1 1 74 74 ASN HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5595 1 638 . 1 1 74 74 ASN HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5595 1 639 . 1 1 74 74 ASN C C 13 172.36 0.50 . 1 . . . . . . . . 5595 1 640 . 1 1 74 74 ASN CA C 13 53.89 0.50 . 1 . . . . . . . . 5595 1 641 . 1 1 74 74 ASN CB C 13 42.62 0.50 . 1 . . . . . . . . 5595 1 642 . 1 1 74 74 ASN N N 15 118.74 0.30 . 1 . . . . . . . . 5595 1 643 . 1 1 75 75 ASP H H 1 6.61 0.02 . 1 . . . . . . . . 5595 1 644 . 1 1 75 75 ASP HA H 1 4.16 0.02 . 1 . . . . . . . . 5595 1 645 . 1 1 75 75 ASP HB2 H 1 3.51 0.02 . 2 . . . . . . . . 5595 1 646 . 1 1 75 75 ASP HB3 H 1 2.30 0.02 . 2 . . . . . . . . 5595 1 647 . 1 1 75 75 ASP C C 13 178.17 0.50 . 1 . . . . . . . . 5595 1 648 . 1 1 75 75 ASP CA C 13 52.00 0.50 . 1 . . . . . . . . 5595 1 649 . 1 1 75 75 ASP CB C 13 41.11 0.50 . 1 . . . . . . . . 5595 1 650 . 1 1 75 75 ASP N N 15 112.49 0.30 . 1 . . . . . . . . 5595 1 651 . 1 1 76 76 MET H H 1 8.43 0.02 . 1 . . . . . . . . 5595 1 652 . 1 1 76 76 MET HA H 1 4.47 0.02 . 1 . . . . . . . . 5595 1 653 . 1 1 76 76 MET HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5595 1 654 . 1 1 76 76 MET HB3 H 1 0.91 0.02 . 2 . . . . . . . . 5595 1 655 . 1 1 76 76 MET HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5595 1 656 . 1 1 76 76 MET HG3 H 1 2.15 0.02 . 2 . . . . . . . . 5595 1 657 . 1 1 76 76 MET HE1 H 1 2.10 0.02 . 1 . . . . . . . . 5595 1 658 . 1 1 76 76 MET HE2 H 1 2.10 0.02 . 1 . . . . . . . . 5595 1 659 . 1 1 76 76 MET HE3 H 1 2.10 0.02 . 1 . . . . . . . . 5595 1 660 . 1 1 76 76 MET C C 13 176.39 0.50 . 1 . . . . . . . . 5595 1 661 . 1 1 76 76 MET CA C 13 54.03 0.50 . 1 . . . . . . . . 5595 1 662 . 1 1 76 76 MET CB C 13 25.95 0.50 . 1 . . . . . . . . 5595 1 663 . 1 1 76 76 MET CG C 13 33.21 0.50 . 1 . . . . . . . . 5595 1 664 . 1 1 76 76 MET CE C 13 19.87 0.50 . 1 . . . . . . . . 5595 1 665 . 1 1 76 76 MET N N 15 124.06 0.30 . 1 . . . . . . . . 5595 1 666 . 1 1 77 77 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5595 1 667 . 1 1 77 77 GLY HA2 H 1 4.69 0.02 . 2 . . . . . . . . 5595 1 668 . 1 1 77 77 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 5595 1 669 . 1 1 77 77 GLY C C 13 174.13 0.50 . 1 . . . . . . . . 5595 1 670 . 1 1 77 77 GLY CA C 13 44.36 0.50 . 1 . . . . . . . . 5595 1 671 . 1 1 77 77 GLY N N 15 107.73 0.30 . 1 . . . . . . . . 5595 1 672 . 1 1 78 78 ALA H H 1 6.94 0.02 . 1 . . . . . . . . 5595 1 673 . 1 1 78 78 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5595 1 674 . 1 1 78 78 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 5595 1 675 . 1 1 78 78 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 5595 1 676 . 1 1 78 78 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 5595 1 677 . 1 1 78 78 ALA C C 13 178.11 0.50 . 1 . . . . . . . . 5595 1 678 . 1 1 78 78 ALA CA C 13 52.18 0.50 . 1 . . . . . . . . 5595 1 679 . 1 1 78 78 ALA CB C 13 18.75 0.50 . 1 . . . . . . . . 5595 1 680 . 1 1 78 78 ALA N N 15 124.45 0.30 . 1 . . . . . . . . 5595 1 681 . 1 1 79 79 ALA H H 1 8.59 0.02 . 1 . . . . . . . . 5595 1 682 . 1 1 79 79 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 5595 1 683 . 1 1 79 79 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 684 . 1 1 79 79 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 685 . 1 1 79 79 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 686 . 1 1 79 79 ALA C C 13 179.24 0.50 . 1 . . . . . . . . 5595 1 687 . 1 1 79 79 ALA CA C 13 53.97 0.50 . 1 . . . . . . . . 5595 1 688 . 1 1 79 79 ALA CB C 13 17.87 0.50 . 1 . . . . . . . . 5595 1 689 . 1 1 79 79 ALA N N 15 125.35 0.30 . 1 . . . . . . . . 5595 1 690 . 1 1 80 80 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 5595 1 691 . 1 1 80 80 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 5595 1 692 . 1 1 80 80 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 5595 1 693 . 1 1 80 80 GLY C C 13 173.94 0.50 . 1 . . . . . . . . 5595 1 694 . 1 1 80 80 GLY CA C 13 45.25 0.50 . 1 . . . . . . . . 5595 1 695 . 1 1 80 80 GLY N N 15 111.02 0.30 . 1 . . . . . . . . 5595 1 696 . 1 1 81 81 ALA H H 1 7.71 0.02 . 1 . . . . . . . . 5595 1 697 . 1 1 81 81 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5595 1 698 . 1 1 81 81 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 5595 1 699 . 1 1 81 81 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 5595 1 700 . 1 1 81 81 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 5595 1 701 . 1 1 81 81 ALA C C 13 177.85 0.50 . 1 . . . . . . . . 5595 1 702 . 1 1 81 81 ALA CA C 13 53.00 0.50 . 1 . . . . . . . . 5595 1 703 . 1 1 81 81 ALA CB C 13 20.30 0.50 . 1 . . . . . . . . 5595 1 704 . 1 1 81 81 ALA N N 15 123.07 0.30 . 1 . . . . . . . . 5595 1 705 . 1 1 82 82 THR H H 1 7.61 0.02 . 1 . . . . . . . . 5595 1 706 . 1 1 82 82 THR HA H 1 4.70 0.02 . 1 . . . . . . . . 5595 1 707 . 1 1 82 82 THR HB H 1 4.60 0.02 . 1 . . . . . . . . 5595 1 708 . 1 1 82 82 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5595 1 709 . 1 1 82 82 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5595 1 710 . 1 1 82 82 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5595 1 711 . 1 1 82 82 THR C C 13 173.60 0.50 . 1 . . . . . . . . 5595 1 712 . 1 1 82 82 THR CA C 13 59.31 0.50 . 1 . . . . . . . . 5595 1 713 . 1 1 82 82 THR CB C 13 72.38 0.50 . 1 . . . . . . . . 5595 1 714 . 1 1 82 82 THR CG2 C 13 21.83 0.50 . 1 . . . . . . . . 5595 1 715 . 1 1 82 82 THR N N 15 113.96 0.30 . 1 . . . . . . . . 5595 1 716 . 1 1 83 83 TRP H H 1 8.75 0.02 . 1 . . . . . . . . 5595 1 717 . 1 1 83 83 TRP HA H 1 3.85 0.02 . 1 . . . . . . . . 5595 1 718 . 1 1 83 83 TRP HB2 H 1 3.36 0.02 . 2 . . . . . . . . 5595 1 719 . 1 1 83 83 TRP HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5595 1 720 . 1 1 83 83 TRP C C 13 176.54 0.50 . 1 . . . . . . . . 5595 1 721 . 1 1 83 83 TRP CA C 13 60.99 0.50 . 1 . . . . . . . . 5595 1 722 . 1 1 83 83 TRP CB C 13 29.52 0.50 . 1 . . . . . . . . 5595 1 723 . 1 1 83 83 TRP N N 15 119.92 0.30 . 1 . . . . . . . . 5595 1 724 . 1 1 84 84 ASP H H 1 7.92 0.02 . 1 . . . . . . . . 5595 1 725 . 1 1 84 84 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 5595 1 726 . 1 1 84 84 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5595 1 727 . 1 1 84 84 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5595 1 728 . 1 1 84 84 ASP C C 13 176.40 0.50 . 1 . . . . . . . . 5595 1 729 . 1 1 84 84 ASP CA C 13 55.91 0.50 . 1 . . . . . . . . 5595 1 730 . 1 1 84 84 ASP CB C 13 41.37 0.50 . 1 . . . . . . . . 5595 1 731 . 1 1 84 84 ASP N N 15 110.86 0.30 . 1 . . . . . . . . 5595 1 732 . 1 1 85 85 GLN H H 1 7.53 0.02 . 1 . . . . . . . . 5595 1 733 . 1 1 85 85 GLN HA H 1 4.55 0.02 . 1 . . . . . . . . 5595 1 734 . 1 1 85 85 GLN HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5595 1 735 . 1 1 85 85 GLN HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5595 1 736 . 1 1 85 85 GLN CA C 13 53.15 0.50 . 1 . . . . . . . . 5595 1 737 . 1 1 85 85 GLN CB C 13 30.01 0.50 . 1 . . . . . . . . 5595 1 738 . 1 1 85 85 GLN N N 15 117.00 0.30 . 1 . . . . . . . . 5595 1 739 . 1 1 86 86 PRO HA H 1 4.07 0.02 . 1 . . . . . . . . 5595 1 740 . 1 1 86 86 PRO HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5595 1 741 . 1 1 86 86 PRO HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5595 1 742 . 1 1 86 86 PRO HG2 H 1 1.43 0.02 . 4 . . . . . . . . 5595 1 743 . 1 1 86 86 PRO HD2 H 1 3.49 0.02 . 2 . . . . . . . . 5595 1 744 . 1 1 86 86 PRO HD3 H 1 3.28 0.02 . 2 . . . . . . . . 5595 1 745 . 1 1 86 86 PRO C C 13 177.44 0.50 . 1 . . . . . . . . 5595 1 746 . 1 1 86 86 PRO CA C 13 65.23 0.50 . 1 . . . . . . . . 5595 1 747 . 1 1 86 86 PRO CB C 13 32.03 0.50 . 1 . . . . . . . . 5595 1 748 . 1 1 86 86 PRO CG C 13 27.96 0.50 . 1 . . . . . . . . 5595 1 749 . 1 1 86 86 PRO CD C 13 49.68 0.50 . 1 . . . . . . . . 5595 1 750 . 1 1 87 87 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 5595 1 751 . 1 1 87 87 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5595 1 752 . 1 1 87 87 GLY HA3 H 1 3.42 0.02 . 2 . . . . . . . . 5595 1 753 . 1 1 87 87 GLY C C 13 174.64 0.50 . 1 . . . . . . . . 5595 1 754 . 1 1 87 87 GLY CA C 13 43.99 0.50 . 1 . . . . . . . . 5595 1 755 . 1 1 87 87 GLY N N 15 102.95 0.30 . 1 . . . . . . . . 5595 1 756 . 1 1 88 88 ASP H H 1 8.49 0.02 . 1 . . . . . . . . 5595 1 757 . 1 1 88 88 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 5595 1 758 . 1 1 88 88 ASP HB2 H 1 2.59 0.02 . 2 . . . . . . . . 5595 1 759 . 1 1 88 88 ASP HB3 H 1 2.39 0.02 . 2 . . . . . . . . 5595 1 760 . 1 1 88 88 ASP C C 13 177.94 0.50 . 1 . . . . . . . . 5595 1 761 . 1 1 88 88 ASP CA C 13 55.73 0.50 . 1 . . . . . . . . 5595 1 762 . 1 1 88 88 ASP CB C 13 39.93 0.50 . 1 . . . . . . . . 5595 1 763 . 1 1 88 88 ASP N N 15 126.58 0.30 . 1 . . . . . . . . 5595 1 764 . 1 1 89 89 GLY H H 1 10.51 0.02 . 1 . . . . . . . . 5595 1 765 . 1 1 89 89 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . 5595 1 766 . 1 1 89 89 GLY HA3 H 1 4.13 0.02 . 2 . . . . . . . . 5595 1 767 . 1 1 89 89 GLY C C 13 173.96 0.50 . 1 . . . . . . . . 5595 1 768 . 1 1 89 89 GLY CA C 13 45.79 0.50 . 1 . . . . . . . . 5595 1 769 . 1 1 89 89 GLY N N 15 112.97 0.30 . 1 . . . . . . . . 5595 1 770 . 1 1 90 90 ASN H H 1 6.74 0.02 . 1 . . . . . . . . 5595 1 771 . 1 1 90 90 ASN HA H 1 4.53 0.02 . 1 . . . . . . . . 5595 1 772 . 1 1 90 90 ASN HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5595 1 773 . 1 1 90 90 ASN HB3 H 1 2.33 0.02 . 2 . . . . . . . . 5595 1 774 . 1 1 90 90 ASN C C 13 172.95 0.50 . 1 . . . . . . . . 5595 1 775 . 1 1 90 90 ASN CA C 13 51.06 0.50 . 1 . . . . . . . . 5595 1 776 . 1 1 90 90 ASN CB C 13 36.41 0.50 . 1 . . . . . . . . 5595 1 777 . 1 1 90 90 ASN N N 15 118.83 0.30 . 1 . . . . . . . . 5595 1 778 . 1 1 91 91 TRP H H 1 7.27 0.02 . 1 . . . . . . . . 5595 1 779 . 1 1 91 91 TRP HA H 1 5.24 0.02 . 1 . . . . . . . . 5595 1 780 . 1 1 91 91 TRP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5595 1 781 . 1 1 91 91 TRP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5595 1 782 . 1 1 91 91 TRP C C 13 175.54 0.50 . 1 . . . . . . . . 5595 1 783 . 1 1 91 91 TRP CA C 13 54.60 0.50 . 1 . . . . . . . . 5595 1 784 . 1 1 91 91 TRP CB C 13 33.98 0.50 . 1 . . . . . . . . 5595 1 785 . 1 1 91 91 TRP N N 15 121.57 0.30 . 1 . . . . . . . . 5595 1 786 . 1 1 92 92 ILE H H 1 9.72 0.02 . 1 . . . . . . . . 5595 1 787 . 1 1 92 92 ILE HA H 1 4.99 0.02 . 1 . . . . . . . . 5595 1 788 . 1 1 92 92 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5595 1 789 . 1 1 92 92 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5595 1 790 . 1 1 92 92 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5595 1 791 . 1 1 92 92 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5595 1 792 . 1 1 92 92 ILE HD11 H 1 0.54 0.02 . 1 . . . . . . . . 5595 1 793 . 1 1 92 92 ILE HD12 H 1 0.54 0.02 . 1 . . . . . . . . 5595 1 794 . 1 1 92 92 ILE HD13 H 1 0.54 0.02 . 1 . . . . . . . . 5595 1 795 . 1 1 92 92 ILE C C 13 175.15 0.50 . 1 . . . . . . . . 5595 1 796 . 1 1 92 92 ILE CA C 13 59.05 0.50 . 1 . . . . . . . . 5595 1 797 . 1 1 92 92 ILE CB C 13 42.29 0.50 . 1 . . . . . . . . 5595 1 798 . 1 1 92 92 ILE CG2 C 13 18.63 0.50 . 1 . . . . . . . . 5595 1 799 . 1 1 92 92 ILE CD1 C 13 13.84 0.50 . 1 . . . . . . . . 5595 1 800 . 1 1 92 92 ILE N N 15 118.10 0.30 . 1 . . . . . . . . 5595 1 801 . 1 1 93 93 ALA H H 1 9.05 0.02 . 1 . . . . . . . . 5595 1 802 . 1 1 93 93 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 5595 1 803 . 1 1 93 93 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5595 1 804 . 1 1 93 93 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5595 1 805 . 1 1 93 93 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5595 1 806 . 1 1 93 93 ALA C C 13 179.96 0.50 . 1 . . . . . . . . 5595 1 807 . 1 1 93 93 ALA CA C 13 52.83 0.50 . 1 . . . . . . . . 5595 1 808 . 1 1 93 93 ALA CB C 13 18.58 0.50 . 1 . . . . . . . . 5595 1 809 . 1 1 93 93 ALA N N 15 127.12 0.30 . 1 . . . . . . . . 5595 1 810 . 1 1 94 94 ALA H H 1 8.84 0.02 . 1 . . . . . . . . 5595 1 811 . 1 1 94 94 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 5595 1 812 . 1 1 94 94 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5595 1 813 . 1 1 94 94 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5595 1 814 . 1 1 94 94 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5595 1 815 . 1 1 94 94 ALA C C 13 180.59 0.50 . 1 . . . . . . . . 5595 1 816 . 1 1 94 94 ALA CA C 13 54.17 0.50 . 1 . . . . . . . . 5595 1 817 . 1 1 94 94 ALA CB C 13 18.85 0.50 . 1 . . . . . . . . 5595 1 818 . 1 1 94 94 ALA N N 15 123.63 0.30 . 1 . . . . . . . . 5595 1 819 . 1 1 95 95 ASP H H 1 8.85 0.02 . 1 . . . . . . . . 5595 1 820 . 1 1 95 95 ASP HA H 1 4.37 0.02 . 1 . . . . . . . . 5595 1 821 . 1 1 95 95 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5595 1 822 . 1 1 95 95 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5595 1 823 . 1 1 95 95 ASP C C 13 176.55 0.50 . 1 . . . . . . . . 5595 1 824 . 1 1 95 95 ASP CA C 13 55.20 0.50 . 1 . . . . . . . . 5595 1 825 . 1 1 95 95 ASP CB C 13 39.24 0.50 . 1 . . . . . . . . 5595 1 826 . 1 1 95 95 ASP N N 15 113.14 0.30 . 1 . . . . . . . . 5595 1 827 . 1 1 96 96 LYS H H 1 7.46 0.02 . 1 . . . . . . . . 5595 1 828 . 1 1 96 96 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 5595 1 829 . 1 1 96 96 LYS HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5595 1 830 . 1 1 96 96 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5595 1 831 . 1 1 96 96 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5595 1 832 . 1 1 96 96 LYS HD2 H 1 1.68 0.02 . 2 . . . . . . . . 5595 1 833 . 1 1 96 96 LYS HE2 H 1 3.02 0.02 . 2 . . . . . . . . 5595 1 834 . 1 1 96 96 LYS C C 13 175.41 0.50 . 1 . . . . . . . . 5595 1 835 . 1 1 96 96 LYS CA C 13 54.76 0.50 . 1 . . . . . . . . 5595 1 836 . 1 1 96 96 LYS CB C 13 32.82 0.50 . 1 . . . . . . . . 5595 1 837 . 1 1 96 96 LYS CG C 13 24.73 0.50 . 1 . . . . . . . . 5595 1 838 . 1 1 96 96 LYS CD C 13 28.59 0.50 . 1 . . . . . . . . 5595 1 839 . 1 1 96 96 LYS CE C 13 42.27 0.50 . 1 . . . . . . . . 5595 1 840 . 1 1 96 96 LYS N N 15 118.32 0.30 . 1 . . . . . . . . 5595 1 841 . 1 1 97 97 ALA H H 1 6.65 0.02 . 1 . . . . . . . . 5595 1 842 . 1 1 97 97 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 5595 1 843 . 1 1 97 97 ALA HB1 H 1 0.84 0.02 . 1 . . . . . . . . 5595 1 844 . 1 1 97 97 ALA HB2 H 1 0.84 0.02 . 1 . . . . . . . . 5595 1 845 . 1 1 97 97 ALA HB3 H 1 0.84 0.02 . 1 . . . . . . . . 5595 1 846 . 1 1 97 97 ALA C C 13 175.06 0.50 . 1 . . . . . . . . 5595 1 847 . 1 1 97 97 ALA CA C 13 51.13 0.50 . 1 . . . . . . . . 5595 1 848 . 1 1 97 97 ALA CB C 13 19.73 0.50 . 1 . . . . . . . . 5595 1 849 . 1 1 97 97 ALA N N 15 121.19 0.30 . 1 . . . . . . . . 5595 1 850 . 1 1 98 98 PHE H H 1 8.82 0.02 . 1 . . . . . . . . 5595 1 851 . 1 1 98 98 PHE HA H 1 4.53 0.02 . 1 . . . . . . . . 5595 1 852 . 1 1 98 98 PHE HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5595 1 853 . 1 1 98 98 PHE HB3 H 1 2.46 0.02 . 2 . . . . . . . . 5595 1 854 . 1 1 98 98 PHE C C 13 174.26 0.50 . 1 . . . . . . . . 5595 1 855 . 1 1 98 98 PHE CA C 13 57.34 0.50 . 1 . . . . . . . . 5595 1 856 . 1 1 98 98 PHE CB C 13 41.41 0.50 . 1 . . . . . . . . 5595 1 857 . 1 1 98 98 PHE N N 15 117.63 0.30 . 1 . . . . . . . . 5595 1 858 . 1 1 99 99 TYR H H 1 9.39 0.02 . 1 . . . . . . . . 5595 1 859 . 1 1 99 99 TYR HA H 1 5.34 0.02 . 1 . . . . . . . . 5595 1 860 . 1 1 99 99 TYR HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5595 1 861 . 1 1 99 99 TYR HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5595 1 862 . 1 1 99 99 TYR C C 13 176.02 0.50 . 1 . . . . . . . . 5595 1 863 . 1 1 99 99 TYR CA C 13 56.38 0.50 . 1 . . . . . . . . 5595 1 864 . 1 1 99 99 TYR CB C 13 41.77 0.50 . 1 . . . . . . . . 5595 1 865 . 1 1 99 99 TYR N N 15 118.70 0.30 . 1 . . . . . . . . 5595 1 866 . 1 1 100 100 VAL H H 1 9.67 0.02 . 1 . . . . . . . . 5595 1 867 . 1 1 100 100 VAL HA H 1 5.19 0.02 . 1 . . . . . . . . 5595 1 868 . 1 1 100 100 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 5595 1 869 . 1 1 100 100 VAL HG11 H 1 1.18 0.02 . 2 . . . . . . . . 5595 1 870 . 1 1 100 100 VAL HG12 H 1 1.18 0.02 . 2 . . . . . . . . 5595 1 871 . 1 1 100 100 VAL HG13 H 1 1.18 0.02 . 2 . . . . . . . . 5595 1 872 . 1 1 100 100 VAL C C 13 177.73 0.50 . 1 . . . . . . . . 5595 1 873 . 1 1 100 100 VAL CA C 13 62.06 0.50 . 1 . . . . . . . . 5595 1 874 . 1 1 100 100 VAL CB C 13 32.68 0.50 . 1 . . . . . . . . 5595 1 875 . 1 1 100 100 VAL CG1 C 13 23.27 0.50 . 2 . . . . . . . . 5595 1 876 . 1 1 100 100 VAL N N 15 121.04 0.30 . 1 . . . . . . . . 5595 1 877 . 1 1 101 101 VAL H H 1 8.96 0.02 . 1 . . . . . . . . 5595 1 878 . 1 1 101 101 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 5595 1 879 . 1 1 101 101 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 5595 1 880 . 1 1 101 101 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 5595 1 881 . 1 1 101 101 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 5595 1 882 . 1 1 101 101 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 5595 1 883 . 1 1 101 101 VAL C C 13 176.21 0.50 . 1 . . . . . . . . 5595 1 884 . 1 1 101 101 VAL CA C 13 60.82 0.50 . 1 . . . . . . . . 5595 1 885 . 1 1 101 101 VAL CB C 13 34.71 0.50 . 1 . . . . . . . . 5595 1 886 . 1 1 101 101 VAL CG1 C 13 20.99 0.50 . 2 . . . . . . . . 5595 1 887 . 1 1 101 101 VAL N N 15 128.83 0.30 . 1 . . . . . . . . 5595 1 888 . 1 1 102 102 GLY H H 1 9.93 0.02 . 1 . . . . . . . . 5595 1 889 . 1 1 102 102 GLY HA2 H 1 4.31 0.02 . 2 . . . . . . . . 5595 1 890 . 1 1 102 102 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 5595 1 891 . 1 1 102 102 GLY C C 13 175.51 0.50 . 1 . . . . . . . . 5595 1 892 . 1 1 102 102 GLY CA C 13 45.43 0.50 . 1 . . . . . . . . 5595 1 893 . 1 1 102 102 GLY N N 15 113.62 0.30 . 1 . . . . . . . . 5595 1 894 . 1 1 103 103 SER H H 1 8.79 0.02 . 1 . . . . . . . . 5595 1 895 . 1 1 103 103 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 5595 1 896 . 1 1 103 103 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 5595 1 897 . 1 1 103 103 SER C C 13 174.41 0.50 . 1 . . . . . . . . 5595 1 898 . 1 1 103 103 SER CA C 13 58.92 0.50 . 1 . . . . . . . . 5595 1 899 . 1 1 103 103 SER CB C 13 65.65 0.50 . 1 . . . . . . . . 5595 1 900 . 1 1 103 103 SER N N 15 117.85 0.30 . 1 . . . . . . . . 5595 1 901 . 1 1 104 104 ALA H H 1 8.66 0.02 . 1 . . . . . . . . 5595 1 902 . 1 1 104 104 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 5595 1 903 . 1 1 104 104 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 5595 1 904 . 1 1 104 104 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5595 1 905 . 1 1 104 104 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5595 1 906 . 1 1 104 104 ALA C C 13 178.31 0.50 . 1 . . . . . . . . 5595 1 907 . 1 1 104 104 ALA CA C 13 53.30 0.50 . 1 . . . . . . . . 5595 1 908 . 1 1 104 104 ALA CB C 13 19.22 0.50 . 1 . . . . . . . . 5595 1 909 . 1 1 104 104 ALA N N 15 119.66 0.30 . 1 . . . . . . . . 5595 1 910 . 1 1 105 105 ARG H H 1 7.76 0.02 . 1 . . . . . . . . 5595 1 911 . 1 1 105 105 ARG HA H 1 4.12 0.02 . 1 . . . . . . . . 5595 1 912 . 1 1 105 105 ARG HB2 H 1 1.48 0.02 . 2 . . . . . . . . 5595 1 913 . 1 1 105 105 ARG HG2 H 1 1.82 0.02 . 2 . . . . . . . . 5595 1 914 . 1 1 105 105 ARG HG3 H 1 1.12 0.02 . 2 . . . . . . . . 5595 1 915 . 1 1 105 105 ARG HD3 H 1 2.27 0.02 . 2 . . . . . . . . 5595 1 916 . 1 1 105 105 ARG C C 13 175.80 0.50 . 1 . . . . . . . . 5595 1 917 . 1 1 105 105 ARG CA C 13 55.34 0.50 . 1 . . . . . . . . 5595 1 918 . 1 1 105 105 ARG CB C 13 30.48 0.50 . 1 . . . . . . . . 5595 1 919 . 1 1 105 105 ARG CG C 13 26.52 0.50 . 1 . . . . . . . . 5595 1 920 . 1 1 105 105 ARG CD C 13 41.57 0.50 . 1 . . . . . . . . 5595 1 921 . 1 1 105 105 ARG N N 15 117.34 0.30 . 1 . . . . . . . . 5595 1 922 . 1 1 106 106 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 5595 1 923 . 1 1 106 106 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . 5595 1 924 . 1 1 106 106 ARG HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5595 1 925 . 1 1 106 106 ARG HB3 H 1 1.54 0.02 . 2 . . . . . . . . 5595 1 926 . 1 1 106 106 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 5595 1 927 . 1 1 106 106 ARG HG3 H 1 1.50 0.02 . 2 . . . . . . . . 5595 1 928 . 1 1 106 106 ARG HD2 H 1 3.04 0.02 . 2 . . . . . . . . 5595 1 929 . 1 1 106 106 ARG C C 13 176.90 0.50 . 1 . . . . . . . . 5595 1 930 . 1 1 106 106 ARG CA C 13 54.20 0.50 . 1 . . . . . . . . 5595 1 931 . 1 1 106 106 ARG CB C 13 31.74 0.50 . 1 . . . . . . . . 5595 1 932 . 1 1 106 106 ARG CG C 13 27.61 0.50 . 1 . . . . . . . . 5595 1 933 . 1 1 106 106 ARG CD C 13 42.67 0.50 . 1 . . . . . . . . 5595 1 934 . 1 1 106 106 ARG N N 15 123.84 0.30 . 1 . . . . . . . . 5595 1 935 . 1 1 107 107 GLY H H 1 8.98 0.02 . 1 . . . . . . . . 5595 1 936 . 1 1 107 107 GLY HA2 H 1 4.64 0.02 . 2 . . . . . . . . 5595 1 937 . 1 1 107 107 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 5595 1 938 . 1 1 107 107 GLY C C 13 176.77 0.50 . 1 . . . . . . . . 5595 1 939 . 1 1 107 107 GLY CA C 13 44.31 0.50 . 1 . . . . . . . . 5595 1 940 . 1 1 107 107 GLY N N 15 105.08 0.30 . 1 . . . . . . . . 5595 1 941 . 1 1 108 108 GLY H H 1 9.71 0.02 . 1 . . . . . . . . 5595 1 942 . 1 1 108 108 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 5595 1 943 . 1 1 108 108 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 5595 1 944 . 1 1 108 108 GLY C C 13 175.00 0.50 . 1 . . . . . . . . 5595 1 945 . 1 1 108 108 GLY CA C 13 48.48 0.50 . 1 . . . . . . . . 5595 1 946 . 1 1 108 108 GLY N N 15 108.50 0.30 . 1 . . . . . . . . 5595 1 947 . 1 1 109 109 MET H H 1 8.32 0.02 . 1 . . . . . . . . 5595 1 948 . 1 1 109 109 MET HA H 1 4.88 0.02 . 1 . . . . . . . . 5595 1 949 . 1 1 109 109 MET HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5595 1 950 . 1 1 109 109 MET HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5595 1 951 . 1 1 109 109 MET HG3 H 1 2.72 0.02 . 2 . . . . . . . . 5595 1 952 . 1 1 109 109 MET C C 13 177.48 0.50 . 1 . . . . . . . . 5595 1 953 . 1 1 109 109 MET CA C 13 53.64 0.50 . 1 . . . . . . . . 5595 1 954 . 1 1 109 109 MET CB C 13 32.12 0.50 . 1 . . . . . . . . 5595 1 955 . 1 1 109 109 MET CG C 13 32.70 0.50 . 1 . . . . . . . . 5595 1 956 . 1 1 109 109 MET N N 15 115.96 0.30 . 1 . . . . . . . . 5595 1 957 . 1 1 110 110 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 5595 1 958 . 1 1 110 110 GLY HA2 H 1 4.35 0.02 . 2 . . . . . . . . 5595 1 959 . 1 1 110 110 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 5595 1 960 . 1 1 110 110 GLY C C 13 173.67 0.50 . 1 . . . . . . . . 5595 1 961 . 1 1 110 110 GLY CA C 13 45.62 0.50 . 1 . . . . . . . . 5595 1 962 . 1 1 110 110 GLY N N 15 108.10 0.30 . 1 . . . . . . . . 5595 1 963 . 1 1 111 111 ALA H H 1 7.88 0.02 . 1 . . . . . . . . 5595 1 964 . 1 1 111 111 ALA HA H 1 4.92 0.02 . 1 . . . . . . . . 5595 1 965 . 1 1 111 111 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5595 1 966 . 1 1 111 111 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5595 1 967 . 1 1 111 111 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5595 1 968 . 1 1 111 111 ALA CA C 13 50.34 0.50 . 1 . . . . . . . . 5595 1 969 . 1 1 111 111 ALA CB C 13 16.43 0.50 . 1 . . . . . . . . 5595 1 970 . 1 1 111 111 ALA N N 15 123.84 0.30 . 1 . . . . . . . . 5595 1 971 . 1 1 112 112 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 5595 1 972 . 1 1 112 112 PRO HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5595 1 973 . 1 1 112 112 PRO HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5595 1 974 . 1 1 112 112 PRO HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5595 1 975 . 1 1 112 112 PRO HD2 H 1 3.90 0.02 . 2 . . . . . . . . 5595 1 976 . 1 1 112 112 PRO C C 13 175.31 0.50 . 1 . . . . . . . . 5595 1 977 . 1 1 112 112 PRO CA C 13 64.76 0.50 . 1 . . . . . . . . 5595 1 978 . 1 1 112 112 PRO CB C 13 31.80 0.50 . 1 . . . . . . . . 5595 1 979 . 1 1 112 112 PRO CG C 13 28.32 0.50 . 1 . . . . . . . . 5595 1 980 . 1 1 112 112 PRO CD C 13 50.84 0.50 . 1 . . . . . . . . 5595 1 981 . 1 1 113 113 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 5595 1 982 . 1 1 113 113 GLU HA H 1 5.66 0.02 . 1 . . . . . . . . 5595 1 983 . 1 1 113 113 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5595 1 984 . 1 1 113 113 GLU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5595 1 985 . 1 1 113 113 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 5595 1 986 . 1 1 113 113 GLU C C 13 174.93 0.50 . 1 . . . . . . . . 5595 1 987 . 1 1 113 113 GLU CA C 13 52.74 0.50 . 1 . . . . . . . . 5595 1 988 . 1 1 113 113 GLU CB C 13 34.77 0.50 . 1 . . . . . . . . 5595 1 989 . 1 1 113 113 GLU CG C 13 37.06 0.50 . 1 . . . . . . . . 5595 1 990 . 1 1 113 113 GLU N N 15 125.30 0.30 . 1 . . . . . . . . 5595 1 991 . 1 1 114 114 ALA H H 1 10.08 0.02 . 1 . . . . . . . . 5595 1 992 . 1 1 114 114 ALA HA H 1 4.95 0.02 . 1 . . . . . . . . 5595 1 993 . 1 1 114 114 ALA HB1 H 1 1.01 0.02 . 1 . . . . . . . . 5595 1 994 . 1 1 114 114 ALA HB2 H 1 1.01 0.02 . 1 . . . . . . . . 5595 1 995 . 1 1 114 114 ALA HB3 H 1 1.01 0.02 . 1 . . . . . . . . 5595 1 996 . 1 1 114 114 ALA C C 13 174.50 0.50 . 1 . . . . . . . . 5595 1 997 . 1 1 114 114 ALA CA C 13 49.67 0.50 . 1 . . . . . . . . 5595 1 998 . 1 1 114 114 ALA CB C 13 18.63 0.50 . 1 . . . . . . . . 5595 1 999 . 1 1 114 114 ALA N N 15 132.32 0.30 . 1 . . . . . . . . 5595 1 1000 . 1 1 115 115 VAL H H 1 8.71 0.02 . 1 . . . . . . . . 5595 1 1001 . 1 1 115 115 VAL HA H 1 3.99 0.02 . 1 . . . . . . . . 5595 1 1002 . 1 1 115 115 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 5595 1 1003 . 1 1 115 115 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5595 1 1004 . 1 1 115 115 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5595 1 1005 . 1 1 115 115 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5595 1 1006 . 1 1 115 115 VAL CA C 13 61.06 0.50 . 1 . . . . . . . . 5595 1 1007 . 1 1 115 115 VAL CB C 13 33.23 0.50 . 1 . . . . . . . . 5595 1 1008 . 1 1 115 115 VAL N N 15 123.57 0.30 . 1 . . . . . . . . 5595 1 1009 . 1 1 116 116 PRO HA H 1 4.79 0.02 . 1 . . . . . . . . 5595 1 1010 . 1 1 116 116 PRO HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5595 1 1011 . 1 1 116 116 PRO HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5595 1 1012 . 1 1 116 116 PRO HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5595 1 1013 . 1 1 116 116 PRO HG3 H 1 1.83 0.02 . 2 . . . . . . . . 5595 1 1014 . 1 1 116 116 PRO HD2 H 1 3.28 0.02 . 2 . . . . . . . . 5595 1 1015 . 1 1 116 116 PRO C C 13 175.80 0.50 . 1 . . . . . . . . 5595 1 1016 . 1 1 116 116 PRO CA C 13 61.58 0.50 . 1 . . . . . . . . 5595 1 1017 . 1 1 116 116 PRO CB C 13 33.20 0.50 . 1 . . . . . . . . 5595 1 1018 . 1 1 116 116 PRO CG C 13 28.99 0.50 . 1 . . . . . . . . 5595 1 1019 . 1 1 116 116 PRO CD C 13 51.05 0.50 . 1 . . . . . . . . 5595 1 1020 . 1 1 117 117 PHE H H 1 8.84 0.02 . 1 . . . . . . . . 5595 1 1021 . 1 1 117 117 PHE HA H 1 4.84 0.02 . 1 . . . . . . . . 5595 1 1022 . 1 1 117 117 PHE HB2 H 1 3.35 0.02 . 2 . . . . . . . . 5595 1 1023 . 1 1 117 117 PHE HB3 H 1 2.49 0.02 . 2 . . . . . . . . 5595 1 1024 . 1 1 117 117 PHE C C 13 175.91 0.50 . 1 . . . . . . . . 5595 1 1025 . 1 1 117 117 PHE CA C 13 57.29 0.50 . 1 . . . . . . . . 5595 1 1026 . 1 1 117 117 PHE CB C 13 44.53 0.50 . 1 . . . . . . . . 5595 1 1027 . 1 1 117 117 PHE N N 15 115.89 0.30 . 1 . . . . . . . . 5595 1 1028 . 1 1 118 118 SER H H 1 8.28 0.02 . 1 . . . . . . . . 5595 1 1029 . 1 1 118 118 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 5595 1 1030 . 1 1 118 118 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 5595 1 1031 . 1 1 118 118 SER C C 13 175.26 0.50 . 1 . . . . . . . . 5595 1 1032 . 1 1 118 118 SER CA C 13 59.88 0.50 . 1 . . . . . . . . 5595 1 1033 . 1 1 118 118 SER CB C 13 63.64 0.50 . 1 . . . . . . . . 5595 1 1034 . 1 1 118 118 SER N N 15 116.04 0.30 . 1 . . . . . . . . 5595 1 1035 . 1 1 119 119 SER H H 1 8.17 0.02 . 1 . . . . . . . . 5595 1 1036 . 1 1 119 119 SER HA H 1 4.97 0.02 . 1 . . . . . . . . 5595 1 1037 . 1 1 119 119 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 5595 1 1038 . 1 1 119 119 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 5595 1 1039 . 1 1 119 119 SER C C 13 175.21 0.50 . 1 . . . . . . . . 5595 1 1040 . 1 1 119 119 SER CA C 13 55.35 0.50 . 1 . . . . . . . . 5595 1 1041 . 1 1 119 119 SER CB C 13 64.47 0.50 . 1 . . . . . . . . 5595 1 1042 . 1 1 119 119 SER N N 15 115.82 0.30 . 1 . . . . . . . . 5595 1 1043 . 1 1 120 120 ARG H H 1 8.84 0.02 . 1 . . . . . . . . 5595 1 1044 . 1 1 120 120 ARG HA H 1 3.05 0.02 . 1 . . . . . . . . 5595 1 1045 . 1 1 120 120 ARG HB2 H 1 1.19 0.02 . 2 . . . . . . . . 5595 1 1046 . 1 1 120 120 ARG HB3 H 1 0.86 0.02 . 2 . . . . . . . . 5595 1 1047 . 1 1 120 120 ARG HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5595 1 1048 . 1 1 120 120 ARG HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5595 1 1049 . 1 1 120 120 ARG HD2 H 1 2.81 0.02 . 2 . . . . . . . . 5595 1 1050 . 1 1 120 120 ARG C C 13 177.72 0.50 . 1 . . . . . . . . 5595 1 1051 . 1 1 120 120 ARG CA C 13 59.02 0.50 . 1 . . . . . . . . 5595 1 1052 . 1 1 120 120 ARG CB C 13 29.18 0.50 . 1 . . . . . . . . 5595 1 1053 . 1 1 120 120 ARG CG C 13 27.53 0.50 . 1 . . . . . . . . 5595 1 1054 . 1 1 120 120 ARG CD C 13 42.89 0.50 . 1 . . . . . . . . 5595 1 1055 . 1 1 120 120 ARG N N 15 129.59 0.30 . 1 . . . . . . . . 5595 1 1056 . 1 1 121 121 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 5595 1 1057 . 1 1 121 121 ASP HA H 1 4.25 0.02 . 1 . . . . . . . . 5595 1 1058 . 1 1 121 121 ASP HB2 H 1 2.57 0.02 . 2 . . . . . . . . 5595 1 1059 . 1 1 121 121 ASP HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5595 1 1060 . 1 1 121 121 ASP C C 13 179.27 0.50 . 1 . . . . . . . . 5595 1 1061 . 1 1 121 121 ASP CA C 13 57.11 0.50 . 1 . . . . . . . . 5595 1 1062 . 1 1 121 121 ASP CB C 13 40.20 0.50 . 1 . . . . . . . . 5595 1 1063 . 1 1 121 121 ASP N N 15 117.93 0.30 . 1 . . . . . . . . 5595 1 1064 . 1 1 122 122 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 5595 1 1065 . 1 1 122 122 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 5595 1 1066 . 1 1 122 122 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5595 1 1067 . 1 1 122 122 GLU HG2 H 1 2.53 0.02 . 2 . . . . . . . . 5595 1 1068 . 1 1 122 122 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 5595 1 1069 . 1 1 122 122 GLU C C 13 178.79 0.50 . 1 . . . . . . . . 5595 1 1070 . 1 1 122 122 GLU CA C 13 58.29 0.50 . 1 . . . . . . . . 5595 1 1071 . 1 1 122 122 GLU CB C 13 29.10 0.50 . 1 . . . . . . . . 5595 1 1072 . 1 1 122 122 GLU CG C 13 35.83 0.50 . 1 . . . . . . . . 5595 1 1073 . 1 1 122 122 GLU N N 15 121.02 0.30 . 1 . . . . . . . . 5595 1 1074 . 1 1 123 123 ALA H H 1 7.34 0.02 . 1 . . . . . . . . 5595 1 1075 . 1 1 123 123 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 5595 1 1076 . 1 1 123 123 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 5595 1 1077 . 1 1 123 123 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 5595 1 1078 . 1 1 123 123 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 5595 1 1079 . 1 1 123 123 ALA C C 13 178.35 0.50 . 1 . . . . . . . . 5595 1 1080 . 1 1 123 123 ALA CA C 13 54.18 0.50 . 1 . . . . . . . . 5595 1 1081 . 1 1 123 123 ALA CB C 13 18.16 0.50 . 1 . . . . . . . . 5595 1 1082 . 1 1 123 123 ALA N N 15 123.76 0.30 . 1 . . . . . . . . 5595 1 1083 . 1 1 124 124 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5595 1 1084 . 1 1 124 124 ALA HA H 1 3.77 0.02 . 1 . . . . . . . . 5595 1 1085 . 1 1 124 124 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5595 1 1086 . 1 1 124 124 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5595 1 1087 . 1 1 124 124 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5595 1 1088 . 1 1 124 124 ALA C C 13 180.53 0.50 . 1 . . . . . . . . 5595 1 1089 . 1 1 124 124 ALA CA C 13 54.90 0.50 . 1 . . . . . . . . 5595 1 1090 . 1 1 124 124 ALA CB C 13 17.84 0.50 . 1 . . . . . . . . 5595 1 1091 . 1 1 124 124 ALA N N 15 118.95 0.30 . 1 . . . . . . . . 5595 1 1092 . 1 1 125 125 ALA H H 1 7.51 0.02 . 1 . . . . . . . . 5595 1 1093 . 1 1 125 125 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 5595 1 1094 . 1 1 125 125 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5595 1 1095 . 1 1 125 125 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5595 1 1096 . 1 1 125 125 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5595 1 1097 . 1 1 125 125 ALA C C 13 180.11 0.50 . 1 . . . . . . . . 5595 1 1098 . 1 1 125 125 ALA CA C 13 55.05 0.50 . 1 . . . . . . . . 5595 1 1099 . 1 1 125 125 ALA CB C 13 17.73 0.50 . 1 . . . . . . . . 5595 1 1100 . 1 1 125 125 ALA N N 15 121.44 0.30 . 1 . . . . . . . . 5595 1 1101 . 1 1 126 126 PHE H H 1 7.62 0.02 . 1 . . . . . . . . 5595 1 1102 . 1 1 126 126 PHE HA H 1 4.72 0.02 . 1 . . . . . . . . 5595 1 1103 . 1 1 126 126 PHE HB2 H 1 3.08 0.02 . 2 . . . . . . . . 5595 1 1104 . 1 1 126 126 PHE CA C 13 61.57 0.50 . 1 . . . . . . . . 5595 1 1105 . 1 1 126 126 PHE CB C 13 39.97 0.50 . 1 . . . . . . . . 5595 1 1106 . 1 1 126 126 PHE N N 15 122.79 0.30 . 1 . . . . . . . . 5595 1 1107 . 1 1 127 127 VAL H H 1 8.80 0.02 . 1 . . . . . . . . 5595 1 1108 . 1 1 127 127 VAL HA H 1 3.88 0.02 . 1 . . . . . . . . 5595 1 1109 . 1 1 127 127 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 5595 1 1110 . 1 1 127 127 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 1111 . 1 1 127 127 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 1112 . 1 1 127 127 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 1113 . 1 1 127 127 VAL HG21 H 1 0.70 0.02 . 2 . . . . . . . . 5595 1 1114 . 1 1 127 127 VAL HG22 H 1 0.70 0.02 . 2 . . . . . . . . 5595 1 1115 . 1 1 127 127 VAL HG23 H 1 0.70 0.02 . 2 . . . . . . . . 5595 1 1116 . 1 1 127 127 VAL C C 13 179.92 0.50 . 1 . . . . . . . . 5595 1 1117 . 1 1 127 127 VAL CA C 13 64.71 0.50 . 1 . . . . . . . . 5595 1 1118 . 1 1 127 127 VAL CB C 13 31.65 0.50 . 1 . . . . . . . . 5595 1 1119 . 1 1 127 127 VAL CG1 C 13 24.70 0.50 . 2 . . . . . . . . 5595 1 1120 . 1 1 127 127 VAL CG2 C 13 21.74 0.50 . 2 . . . . . . . . 5595 1 1121 . 1 1 127 127 VAL N N 15 120.56 0.30 . 1 . . . . . . . . 5595 1 1122 . 1 1 128 128 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 5595 1 1123 . 1 1 128 128 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5595 1 1124 . 1 1 128 128 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5595 1 1125 . 1 1 128 128 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 5595 1 1126 . 1 1 128 128 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 5595 1 1127 . 1 1 128 128 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5595 1 1128 . 1 1 128 128 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5595 1 1129 . 1 1 128 128 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5595 1 1130 . 1 1 128 128 LEU C C 13 177.98 0.50 . 1 . . . . . . . . 5595 1 1131 . 1 1 128 128 LEU CA C 13 57.88 0.50 . 1 . . . . . . . . 5595 1 1132 . 1 1 128 128 LEU CB C 13 41.54 0.50 . 1 . . . . . . . . 5595 1 1133 . 1 1 128 128 LEU CG C 13 26.59 0.50 . 1 . . . . . . . . 5595 1 1134 . 1 1 128 128 LEU CD1 C 13 24.82 0.50 . 2 . . . . . . . . 5595 1 1135 . 1 1 128 128 LEU CD2 C 13 23.37 0.50 . 2 . . . . . . . . 5595 1 1136 . 1 1 128 128 LEU N N 15 120.62 0.30 . 1 . . . . . . . . 5595 1 1137 . 1 1 129 129 ALA H H 1 7.03 0.02 . 1 . . . . . . . . 5595 1 1138 . 1 1 129 129 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 5595 1 1139 . 1 1 129 129 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5595 1 1140 . 1 1 129 129 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5595 1 1141 . 1 1 129 129 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5595 1 1142 . 1 1 129 129 ALA C C 13 179.45 0.50 . 1 . . . . . . . . 5595 1 1143 . 1 1 129 129 ALA CA C 13 54.10 0.50 . 1 . . . . . . . . 5595 1 1144 . 1 1 129 129 ALA CB C 13 20.28 0.50 . 1 . . . . . . . . 5595 1 1145 . 1 1 129 129 ALA N N 15 118.35 0.30 . 1 . . . . . . . . 5595 1 1146 . 1 1 130 130 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5595 1 1147 . 1 1 130 130 GLU HA H 1 4.56 0.02 . 1 . . . . . . . . 5595 1 1148 . 1 1 130 130 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5595 1 1149 . 1 1 130 130 GLU HB3 H 1 0.89 0.02 . 2 . . . . . . . . 5595 1 1150 . 1 1 130 130 GLU HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5595 1 1151 . 1 1 130 130 GLU HG3 H 1 1.08 0.02 . 2 . . . . . . . . 5595 1 1152 . 1 1 130 130 GLU C C 13 177.80 0.50 . 1 . . . . . . . . 5595 1 1153 . 1 1 130 130 GLU CA C 13 55.68 0.50 . 1 . . . . . . . . 5595 1 1154 . 1 1 130 130 GLU CB C 13 31.44 0.50 . 1 . . . . . . . . 5595 1 1155 . 1 1 130 130 GLU CG C 13 33.55 0.50 . 1 . . . . . . . . 5595 1 1156 . 1 1 130 130 GLU N N 15 114.08 0.30 . 1 . . . . . . . . 5595 1 1157 . 1 1 131 131 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 5595 1 1158 . 1 1 131 131 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5595 1 1159 . 1 1 131 131 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 5595 1 1160 . 1 1 131 131 GLY C C 13 171.16 0.50 . 1 . . . . . . . . 5595 1 1161 . 1 1 131 131 GLY CA C 13 44.10 0.50 . 1 . . . . . . . . 5595 1 1162 . 1 1 131 131 GLY N N 15 112.25 0.30 . 1 . . . . . . . . 5595 1 1163 . 1 1 132 132 GLY H H 1 7.57 0.02 . 1 . . . . . . . . 5595 1 1164 . 1 1 132 132 GLY HA2 H 1 4.25 0.02 . 2 . . . . . . . . 5595 1 1165 . 1 1 132 132 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 5595 1 1166 . 1 1 132 132 GLY C C 13 173.42 0.50 . 1 . . . . . . . . 5595 1 1167 . 1 1 132 132 GLY CA C 13 43.71 0.50 . 1 . . . . . . . . 5595 1 1168 . 1 1 132 132 GLY N N 15 99.92 0.30 . 1 . . . . . . . . 5595 1 1169 . 1 1 133 133 GLN H H 1 8.59 0.02 . 1 . . . . . . . . 5595 1 1170 . 1 1 133 133 GLN HA H 1 4.76 0.02 . 1 . . . . . . . . 5595 1 1171 . 1 1 133 133 GLN HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5595 1 1172 . 1 1 133 133 GLN HG2 H 1 2.15 0.02 . 2 . . . . . . . . 5595 1 1173 . 1 1 133 133 GLN HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5595 1 1174 . 1 1 133 133 GLN C C 13 173.56 0.50 . 1 . . . . . . . . 5595 1 1175 . 1 1 133 133 GLN CA C 13 54.17 0.50 . 1 . . . . . . . . 5595 1 1176 . 1 1 133 133 GLN CB C 13 32.84 0.50 . 1 . . . . . . . . 5595 1 1177 . 1 1 133 133 GLN CG C 13 33.59 0.50 . 1 . . . . . . . . 5595 1 1178 . 1 1 133 133 GLN N N 15 115.56 0.30 . 1 . . . . . . . . 5595 1 1179 . 1 1 134 134 VAL H H 1 8.49 0.02 . 1 . . . . . . . . 5595 1 1180 . 1 1 134 134 VAL HA H 1 4.81 0.02 . 1 . . . . . . . . 5595 1 1181 . 1 1 134 134 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 5595 1 1182 . 1 1 134 134 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 1183 . 1 1 134 134 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 1184 . 1 1 134 134 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 1185 . 1 1 134 134 VAL C C 13 175.98 0.50 . 1 . . . . . . . . 5595 1 1186 . 1 1 134 134 VAL CA C 13 62.46 0.50 . 1 . . . . . . . . 5595 1 1187 . 1 1 134 134 VAL CB C 13 32.22 0.50 . 1 . . . . . . . . 5595 1 1188 . 1 1 134 134 VAL CG1 C 13 25.82 0.50 . 2 . . . . . . . . 5595 1 1189 . 1 1 134 134 VAL CG2 C 13 22.35 0.50 . 2 . . . . . . . . 5595 1 1190 . 1 1 134 134 VAL N N 15 121.79 0.30 . 1 . . . . . . . . 5595 1 1191 . 1 1 135 135 LEU H H 1 9.89 0.02 . 1 . . . . . . . . 5595 1 1192 . 1 1 135 135 LEU HA H 1 4.98 0.02 . 1 . . . . . . . . 5595 1 1193 . 1 1 135 135 LEU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5595 1 1194 . 1 1 135 135 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5595 1 1195 . 1 1 135 135 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 5595 1 1196 . 1 1 135 135 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 5595 1 1197 . 1 1 135 135 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 5595 1 1198 . 1 1 135 135 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 5595 1 1199 . 1 1 135 135 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 5595 1 1200 . 1 1 135 135 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 5595 1 1201 . 1 1 135 135 LEU C C 13 176.00 0.50 . 1 . . . . . . . . 5595 1 1202 . 1 1 135 135 LEU CA C 13 54.08 0.50 . 1 . . . . . . . . 5595 1 1203 . 1 1 135 135 LEU CB C 13 46.91 0.50 . 1 . . . . . . . . 5595 1 1204 . 1 1 135 135 LEU CG C 13 27.41 0.50 . 1 . . . . . . . . 5595 1 1205 . 1 1 135 135 LEU CD1 C 13 27.07 0.50 . 2 . . . . . . . . 5595 1 1206 . 1 1 135 135 LEU CD2 C 13 23.75 0.50 . 2 . . . . . . . . 5595 1 1207 . 1 1 135 135 LEU N N 15 130.26 0.30 . 1 . . . . . . . . 5595 1 1208 . 1 1 136 136 ALA H H 1 8.82 0.02 . 1 . . . . . . . . 5595 1 1209 . 1 1 136 136 ALA HA H 1 4.77 0.02 . 1 . . . . . . . . 5595 1 1210 . 1 1 136 136 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5595 1 1211 . 1 1 136 136 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5595 1 1212 . 1 1 136 136 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5595 1 1213 . 1 1 136 136 ALA C C 13 178.41 0.50 . 1 . . . . . . . . 5595 1 1214 . 1 1 136 136 ALA CA C 13 51.11 0.50 . 1 . . . . . . . . 5595 1 1215 . 1 1 136 136 ALA CB C 13 19.77 0.50 . 1 . . . . . . . . 5595 1 1216 . 1 1 136 136 ALA N N 15 123.46 0.30 . 1 . . . . . . . . 5595 1 1217 . 1 1 137 137 LEU H H 1 9.01 0.02 . 1 . . . . . . . . 5595 1 1218 . 1 1 137 137 LEU HA H 1 3.64 0.02 . 1 . . . . . . . . 5595 1 1219 . 1 1 137 137 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 5595 1 1220 . 1 1 137 137 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 5595 1 1221 . 1 1 137 137 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 5595 1 1222 . 1 1 137 137 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 5595 1 1223 . 1 1 137 137 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 5595 1 1224 . 1 1 137 137 LEU HD21 H 1 0.50 0.02 . 2 . . . . . . . . 5595 1 1225 . 1 1 137 137 LEU HD22 H 1 0.50 0.02 . 2 . . . . . . . . 5595 1 1226 . 1 1 137 137 LEU HD23 H 1 0.50 0.02 . 2 . . . . . . . . 5595 1 1227 . 1 1 137 137 LEU C C 13 178.97 0.50 . 1 . . . . . . . . 5595 1 1228 . 1 1 137 137 LEU CA C 13 58.58 0.50 . 1 . . . . . . . . 5595 1 1229 . 1 1 137 137 LEU CB C 13 41.60 0.50 . 1 . . . . . . . . 5595 1 1230 . 1 1 137 137 LEU CG C 13 26.56 0.50 . 1 . . . . . . . . 5595 1 1231 . 1 1 137 137 LEU CD1 C 13 25.92 0.50 . 2 . . . . . . . . 5595 1 1232 . 1 1 137 137 LEU CD2 C 13 22.38 0.50 . 2 . . . . . . . . 5595 1 1233 . 1 1 137 137 LEU N N 15 121.67 0.30 . 1 . . . . . . . . 5595 1 1234 . 1 1 138 138 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 5595 1 1235 . 1 1 138 138 ALA HA H 1 3.94 0.02 . 1 . . . . . . . . 5595 1 1236 . 1 1 138 138 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5595 1 1237 . 1 1 138 138 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5595 1 1238 . 1 1 138 138 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5595 1 1239 . 1 1 138 138 ALA C C 13 178.28 0.50 . 1 . . . . . . . . 5595 1 1240 . 1 1 138 138 ALA CA C 13 53.67 0.50 . 1 . . . . . . . . 5595 1 1241 . 1 1 138 138 ALA CB C 13 18.72 0.50 . 1 . . . . . . . . 5595 1 1242 . 1 1 138 138 ALA N N 15 115.07 0.30 . 1 . . . . . . . . 5595 1 1243 . 1 1 139 139 ASP H H 1 7.53 0.02 . 1 . . . . . . . . 5595 1 1244 . 1 1 139 139 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 5595 1 1245 . 1 1 139 139 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5595 1 1246 . 1 1 139 139 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 5595 1 1247 . 1 1 139 139 ASP C C 13 175.55 0.50 . 1 . . . . . . . . 5595 1 1248 . 1 1 139 139 ASP CA C 13 54.36 0.50 . 1 . . . . . . . . 5595 1 1249 . 1 1 139 139 ASP CB C 13 43.17 0.50 . 1 . . . . . . . . 5595 1 1250 . 1 1 139 139 ASP N N 15 114.33 0.30 . 1 . . . . . . . . 5595 1 1251 . 1 1 140 140 ILE H H 1 7.36 0.02 . 1 . . . . . . . . 5595 1 1252 . 1 1 140 140 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 5595 1 1253 . 1 1 140 140 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5595 1 1254 . 1 1 140 140 ILE HG21 H 1 0.68 0.02 . 1 . . . . . . . . 5595 1 1255 . 1 1 140 140 ILE HG22 H 1 0.68 0.02 . 1 . . . . . . . . 5595 1 1256 . 1 1 140 140 ILE HG23 H 1 0.68 0.02 . 1 . . . . . . . . 5595 1 1257 . 1 1 140 140 ILE HD11 H 1 0.18 0.02 . 1 . . . . . . . . 5595 1 1258 . 1 1 140 140 ILE HD12 H 1 0.18 0.02 . 1 . . . . . . . . 5595 1 1259 . 1 1 140 140 ILE HD13 H 1 0.18 0.02 . 1 . . . . . . . . 5595 1 1260 . 1 1 140 140 ILE C C 13 177.05 0.50 . 1 . . . . . . . . 5595 1 1261 . 1 1 140 140 ILE CA C 13 62.19 0.50 . 1 . . . . . . . . 5595 1 1262 . 1 1 140 140 ILE CB C 13 37.55 0.50 . 1 . . . . . . . . 5595 1 1263 . 1 1 140 140 ILE CG1 C 13 28.08 0.50 . 1 . . . . . . . . 5595 1 1264 . 1 1 140 140 ILE CG2 C 13 18.00 0.50 . 1 . . . . . . . . 5595 1 1265 . 1 1 140 140 ILE CD1 C 13 12.78 0.50 . 1 . . . . . . . . 5595 1 1266 . 1 1 140 140 ILE N N 15 120.79 0.30 . 1 . . . . . . . . 5595 1 1267 . 1 1 141 141 THR H H 1 8.12 0.02 . 1 . . . . . . . . 5595 1 1268 . 1 1 141 141 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 5595 1 1269 . 1 1 141 141 THR HB H 1 4.40 0.02 . 1 . . . . . . . . 5595 1 1270 . 1 1 141 141 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5595 1 1271 . 1 1 141 141 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5595 1 1272 . 1 1 141 141 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5595 1 1273 . 1 1 141 141 THR C C 13 175.53 0.50 . 1 . . . . . . . . 5595 1 1274 . 1 1 141 141 THR CA C 13 60.65 0.50 . 1 . . . . . . . . 5595 1 1275 . 1 1 141 141 THR CB C 13 70.44 0.50 . 1 . . . . . . . . 5595 1 1276 . 1 1 141 141 THR CG2 C 13 22.10 0.50 . 1 . . . . . . . . 5595 1 1277 . 1 1 141 141 THR N N 15 122.07 0.30 . 1 . . . . . . . . 5595 1 1278 . 1 1 142 142 ASP H H 1 8.64 0.02 . 1 . . . . . . . . 5595 1 1279 . 1 1 142 142 ASP HA H 1 4.12 0.02 . 1 . . . . . . . . 5595 1 1280 . 1 1 142 142 ASP HB2 H 1 2.64 0.02 . 2 . . . . . . . . 5595 1 1281 . 1 1 142 142 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5595 1 1282 . 1 1 142 142 ASP C C 13 178.12 0.50 . 1 . . . . . . . . 5595 1 1283 . 1 1 142 142 ASP CA C 13 57.38 0.50 . 1 . . . . . . . . 5595 1 1284 . 1 1 142 142 ASP CB C 13 39.50 0.50 . 1 . . . . . . . . 5595 1 1285 . 1 1 142 142 ASP N N 15 120.95 0.30 . 1 . . . . . . . . 5595 1 1286 . 1 1 143 143 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5595 1 1287 . 1 1 143 143 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 5595 1 1288 . 1 1 143 143 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 1289 . 1 1 143 143 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 1290 . 1 1 143 143 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5595 1 1291 . 1 1 143 143 ALA C C 13 177.98 0.50 . 1 . . . . . . . . 5595 1 1292 . 1 1 143 143 ALA CA C 13 54.32 0.50 . 1 . . . . . . . . 5595 1 1293 . 1 1 143 143 ALA CB C 13 18.57 0.50 . 1 . . . . . . . . 5595 1 1294 . 1 1 143 143 ALA N N 15 119.66 0.30 . 1 . . . . . . . . 5595 1 1295 . 1 1 144 144 MET H H 1 7.55 0.02 . 1 . . . . . . . . 5595 1 1296 . 1 1 144 144 MET HA H 1 4.08 0.02 . 1 . . . . . . . . 5595 1 1297 . 1 1 144 144 MET HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5595 1 1298 . 1 1 144 144 MET HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5595 1 1299 . 1 1 144 144 MET HG2 H 1 2.77 0.02 . 2 . . . . . . . . 5595 1 1300 . 1 1 144 144 MET HG3 H 1 2.55 0.02 . 2 . . . . . . . . 5595 1 1301 . 1 1 144 144 MET C C 13 177.26 0.50 . 1 . . . . . . . . 5595 1 1302 . 1 1 144 144 MET CA C 13 58.12 0.50 . 1 . . . . . . . . 5595 1 1303 . 1 1 144 144 MET CB C 13 33.22 0.50 . 1 . . . . . . . . 5595 1 1304 . 1 1 144 144 MET CG C 13 33.40 0.50 . 1 . . . . . . . . 5595 1 1305 . 1 1 144 144 MET N N 15 114.92 0.30 . 1 . . . . . . . . 5595 1 1306 . 1 1 145 145 VAL H H 1 7.23 0.02 . 1 . . . . . . . . 5595 1 1307 . 1 1 145 145 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 5595 1 1308 . 1 1 145 145 VAL HB H 1 2.32 0.02 . 1 . . . . . . . . 5595 1 1309 . 1 1 145 145 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 5595 1 1310 . 1 1 145 145 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 5595 1 1311 . 1 1 145 145 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 5595 1 1312 . 1 1 145 145 VAL CA C 13 61.49 0.50 . 1 . . . . . . . . 5595 1 1313 . 1 1 145 145 VAL CB C 13 32.84 0.50 . 1 . . . . . . . . 5595 1 1314 . 1 1 145 145 VAL CG1 C 13 21.34 0.50 . 2 . . . . . . . . 5595 1 1315 . 1 1 145 145 VAL CG2 C 13 18.65 0.50 . 2 . . . . . . . . 5595 1 1316 . 1 1 145 145 VAL N N 15 108.66 0.30 . 1 . . . . . . . . 5595 1 1317 . 1 1 146 146 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5595 1 1318 . 1 1 146 146 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 5595 1 1319 . 1 1 146 146 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5595 1 1320 . 1 1 146 146 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5595 1 1321 . 1 1 146 146 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 5595 1 1322 . 1 1 146 146 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 5595 1 1323 . 1 1 146 146 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 5595 1 1324 . 1 1 146 146 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 5595 1 1325 . 1 1 146 146 LEU C C 13 177.25 0.50 . 1 . . . . . . . . 5595 1 1326 . 1 1 146 146 LEU CA C 13 54.82 0.50 . 1 . . . . . . . . 5595 1 1327 . 1 1 146 146 LEU CB C 13 42.71 0.50 . 1 . . . . . . . . 5595 1 1328 . 1 1 146 146 LEU CG C 13 26.91 0.50 . 1 . . . . . . . . 5595 1 1329 . 1 1 146 146 LEU CD1 C 13 25.22 0.50 . 2 . . . . . . . . 5595 1 1330 . 1 1 146 146 LEU CD2 C 13 23.33 0.50 . 2 . . . . . . . . 5595 1 1331 . 1 1 146 146 LEU N N 15 120.48 0.30 . 1 . . . . . . . . 5595 1 1332 . 1 1 147 147 THR H H 1 7.91 0.02 . 1 . . . . . . . . 5595 1 1333 . 1 1 147 147 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 5595 1 1334 . 1 1 147 147 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 5595 1 1335 . 1 1 147 147 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5595 1 1336 . 1 1 147 147 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5595 1 1337 . 1 1 147 147 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5595 1 1338 . 1 1 147 147 THR CA C 13 60.57 0.50 . 1 . . . . . . . . 5595 1 1339 . 1 1 147 147 THR CB C 13 69.97 0.50 . 1 . . . . . . . . 5595 1 1340 . 1 1 147 147 THR N N 15 117.67 0.30 . 1 . . . . . . . . 5595 1 1341 . 1 1 148 148 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 5595 1 1342 . 1 1 148 148 PRO HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5595 1 1343 . 1 1 148 148 PRO HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5595 1 1344 . 1 1 148 148 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 5595 1 1345 . 1 1 148 148 PRO HG3 H 1 1.95 0.02 . 2 . . . . . . . . 5595 1 1346 . 1 1 148 148 PRO HD2 H 1 3.67 0.02 . 2 . . . . . . . . 5595 1 1347 . 1 1 148 148 PRO HD3 H 1 3.84 0.02 . 2 . . . . . . . . 5595 1 1348 . 1 1 148 148 PRO C C 13 176.77 0.50 . 1 . . . . . . . . 5595 1 1349 . 1 1 148 148 PRO CA C 13 63.10 0.50 . 1 . . . . . . . . 5595 1 1350 . 1 1 148 148 PRO CB C 13 32.20 0.50 . 1 . . . . . . . . 5595 1 1351 . 1 1 148 148 PRO CG C 13 27.44 0.50 . 1 . . . . . . . . 5595 1 1352 . 1 1 148 148 PRO CD C 13 51.08 0.50 . 1 . . . . . . . . 5595 1 1353 . 1 1 149 149 VAL H H 1 8.17 0.02 . 1 . . . . . . . . 5595 1 1354 . 1 1 149 149 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 5595 1 1355 . 1 1 149 149 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5595 1 1356 . 1 1 149 149 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 1357 . 1 1 149 149 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 1358 . 1 1 149 149 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5595 1 1359 . 1 1 149 149 VAL C C 13 176.22 0.50 . 1 . . . . . . . . 5595 1 1360 . 1 1 149 149 VAL CA C 13 62.50 0.50 . 1 . . . . . . . . 5595 1 1361 . 1 1 149 149 VAL CB C 13 32.87 0.50 . 1 . . . . . . . . 5595 1 1362 . 1 1 149 149 VAL CG1 C 13 23.95 0.50 . 2 . . . . . . . . 5595 1 1363 . 1 1 149 149 VAL CG2 C 13 21.06 0.50 . 2 . . . . . . . . 5595 1 1364 . 1 1 149 149 VAL N N 15 120.32 0.30 . 1 . . . . . . . . 5595 1 1365 . 1 1 150 150 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5595 1 1366 . 1 1 150 150 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 5595 1 1367 . 1 1 150 150 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5595 1 1368 . 1 1 150 150 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5595 1 1369 . 1 1 150 150 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5595 1 1370 . 1 1 150 150 GLU C C 13 176.67 0.50 . 1 . . . . . . . . 5595 1 1371 . 1 1 150 150 GLU CA C 13 56.34 0.50 . 1 . . . . . . . . 5595 1 1372 . 1 1 150 150 GLU CB C 13 30.31 0.50 . 1 . . . . . . . . 5595 1 1373 . 1 1 150 150 GLU CG C 13 36.29 0.50 . 1 . . . . . . . . 5595 1 1374 . 1 1 150 150 GLU N N 15 124.72 0.30 . 1 . . . . . . . . 5595 1 1375 . 1 1 151 151 THR H H 1 8.28 0.02 . 1 . . . . . . . . 5595 1 1376 . 1 1 151 151 THR HA H 1 4.36 0.02 . 1 . . . . . . . . 5595 1 1377 . 1 1 151 151 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 5595 1 1378 . 1 1 151 151 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5595 1 1379 . 1 1 151 151 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5595 1 1380 . 1 1 151 151 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5595 1 1381 . 1 1 151 151 THR C C 13 175.31 0.50 . 1 . . . . . . . . 5595 1 1382 . 1 1 151 151 THR CA C 13 62.09 0.50 . 1 . . . . . . . . 5595 1 1383 . 1 1 151 151 THR CB C 13 69.61 0.50 . 1 . . . . . . . . 5595 1 1384 . 1 1 151 151 THR CG2 C 13 21.60 0.50 . 1 . . . . . . . . 5595 1 1385 . 1 1 151 151 THR N N 15 115.55 0.30 . 1 . . . . . . . . 5595 1 1386 . 1 1 152 152 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 5595 1 1387 . 1 1 152 152 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5595 1 1388 . 1 1 152 152 GLY C C 13 174.18 0.50 . 1 . . . . . . . . 5595 1 1389 . 1 1 152 152 GLY CA C 13 45.41 0.50 . 1 . . . . . . . . 5595 1 1390 . 1 1 152 152 GLY N N 15 111.66 0.30 . 1 . . . . . . . . 5595 1 1391 . 1 1 153 153 SER H H 1 8.15 0.02 . 1 . . . . . . . . 5595 1 1392 . 1 1 153 153 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 5595 1 1393 . 1 1 153 153 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 5595 1 1394 . 1 1 153 153 SER C C 13 174.44 0.50 . 1 . . . . . . . . 5595 1 1395 . 1 1 153 153 SER CA C 13 58.13 0.50 . 1 . . . . . . . . 5595 1 1396 . 1 1 153 153 SER CB C 13 64.08 0.50 . 1 . . . . . . . . 5595 1 1397 . 1 1 153 153 SER N N 15 115.42 0.30 . 1 . . . . . . . . 5595 1 1398 . 1 1 154 154 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5595 1 1399 . 1 1 154 154 GLU HA H 1 4.82 0.02 . 1 . . . . . . . . 5595 1 1400 . 1 1 154 154 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5595 1 1401 . 1 1 154 154 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 5595 1 1402 . 1 1 154 154 GLU CA C 13 54.77 0.50 . 1 . . . . . . . . 5595 1 1403 . 1 1 154 154 GLU CB C 13 29.60 0.50 . 1 . . . . . . . . 5595 1 1404 . 1 1 154 154 GLU N N 15 123.72 0.30 . 1 . . . . . . . . 5595 1 1405 . 1 1 155 155 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 5595 1 1406 . 1 1 155 155 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5595 1 1407 . 1 1 155 155 PRO HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5595 1 1408 . 1 1 155 155 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5595 1 1409 . 1 1 155 155 PRO HD2 H 1 3.78 0.02 . 2 . . . . . . . . 5595 1 1410 . 1 1 155 155 PRO HD3 H 1 3.65 0.02 . 2 . . . . . . . . 5595 1 1411 . 1 1 155 155 PRO C C 13 176.70 0.50 . 1 . . . . . . . . 5595 1 1412 . 1 1 155 155 PRO CA C 13 63.16 0.50 . 1 . . . . . . . . 5595 1 1413 . 1 1 155 155 PRO CB C 13 32.08 0.50 . 1 . . . . . . . . 5595 1 1414 . 1 1 155 155 PRO CG C 13 27.47 0.50 . 1 . . . . . . . . 5595 1 1415 . 1 1 155 155 PRO CD C 13 50.59 0.50 . 1 . . . . . . . . 5595 1 1416 . 1 1 156 156 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 5595 1 1417 . 1 1 156 156 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 5595 1 1418 . 1 1 156 156 ARG HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5595 1 1419 . 1 1 156 156 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5595 1 1420 . 1 1 156 156 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 5595 1 1421 . 1 1 156 156 ARG HG3 H 1 1.80 0.02 . 2 . . . . . . . . 5595 1 1422 . 1 1 156 156 ARG HD2 H 1 3.17 0.02 . 2 . . . . . . . . 5595 1 1423 . 1 1 156 156 ARG C C 13 176.20 0.50 . 1 . . . . . . . . 5595 1 1424 . 1 1 156 156 ARG CA C 13 55.68 0.50 . 1 . . . . . . . . 5595 1 1425 . 1 1 156 156 ARG CB C 13 31.38 0.50 . 1 . . . . . . . . 5595 1 1426 . 1 1 156 156 ARG CG C 13 27.10 0.50 . 1 . . . . . . . . 5595 1 1427 . 1 1 156 156 ARG CD C 13 43.34 0.50 . 1 . . . . . . . . 5595 1 1428 . 1 1 156 156 ARG N N 15 121.75 0.30 . 1 . . . . . . . . 5595 1 1429 . 1 1 157 157 ALA H H 1 8.41 0.02 . 1 . . . . . . . . 5595 1 1430 . 1 1 157 157 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 5595 1 1431 . 1 1 157 157 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5595 1 1432 . 1 1 157 157 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5595 1 1433 . 1 1 157 157 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5595 1 1434 . 1 1 157 157 ALA C C 13 177.49 0.50 . 1 . . . . . . . . 5595 1 1435 . 1 1 157 157 ALA CA C 13 52.75 0.50 . 1 . . . . . . . . 5595 1 1436 . 1 1 157 157 ALA CB C 13 19.31 0.50 . 1 . . . . . . . . 5595 1 1437 . 1 1 157 157 ALA N N 15 125.69 0.30 . 1 . . . . . . . . 5595 1 1438 . 1 1 158 158 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5595 1 1439 . 1 1 158 158 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5595 1 1440 . 1 1 158 158 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5595 1 1441 . 1 1 158 158 ASP CA C 13 54.30 0.50 . 1 . . . . . . . . 5595 1 1442 . 1 1 158 158 ASP CB C 13 40.92 0.50 . 1 . . . . . . . . 5595 1 1443 . 1 1 158 158 ASP N N 15 118.58 0.30 . 1 . . . . . . . . 5595 1 1444 . 1 1 159 159 ASP H H 1 8.07 0.02 . 1 . . . . . . . . 5595 1 1445 . 1 1 159 159 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5595 1 1446 . 1 1 159 159 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5595 1 1447 . 1 1 159 159 ASP C C 13 176.65 0.50 . 1 . . . . . . . . 5595 1 1448 . 1 1 159 159 ASP CA C 13 54.55 0.50 . 1 . . . . . . . . 5595 1 1449 . 1 1 159 159 ASP CB C 13 41.15 0.50 . 1 . . . . . . . . 5595 1 1450 . 1 1 159 159 ASP N N 15 120.05 0.30 . 1 . . . . . . . . 5595 1 1451 . 1 1 160 160 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 5595 1 1452 . 1 1 160 160 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 5595 1 1453 . 1 1 160 160 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5595 1 1454 . 1 1 160 160 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5595 1 1455 . 1 1 160 160 GLU C C 13 177.10 0.50 . 1 . . . . . . . . 5595 1 1456 . 1 1 160 160 GLU CA C 13 57.37 0.50 . 1 . . . . . . . . 5595 1 1457 . 1 1 160 160 GLU CB C 13 30.11 0.50 . 1 . . . . . . . . 5595 1 1458 . 1 1 160 160 GLU CG C 13 36.36 0.50 . 1 . . . . . . . . 5595 1 1459 . 1 1 160 160 GLU N N 15 120.98 0.30 . 1 . . . . . . . . 5595 1 1460 . 1 1 161 161 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5595 1 1461 . 1 1 161 161 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5595 1 1462 . 1 1 161 161 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5595 1 1463 . 1 1 161 161 ASP C C 13 176.98 0.50 . 1 . . . . . . . . 5595 1 1464 . 1 1 161 161 ASP CA C 13 54.74 0.50 . 1 . . . . . . . . 5595 1 1465 . 1 1 161 161 ASP CB C 13 40.95 0.50 . 1 . . . . . . . . 5595 1 1466 . 1 1 161 161 ASP N N 15 120.82 0.30 . 1 . . . . . . . . 5595 1 1467 . 1 1 162 162 TYR H H 1 8.01 0.02 . 1 . . . . . . . . 5595 1 1468 . 1 1 162 162 TYR HA H 1 4.29 0.02 . 1 . . . . . . . . 5595 1 1469 . 1 1 162 162 TYR HB2 H 1 3.08 0.02 . 2 . . . . . . . . 5595 1 1470 . 1 1 162 162 TYR CA C 13 59.50 0.50 . 1 . . . . . . . . 5595 1 1471 . 1 1 162 162 TYR CB C 13 38.38 0.50 . 1 . . . . . . . . 5595 1 1472 . 1 1 162 162 TYR N N 15 121.08 0.30 . 1 . . . . . . . . 5595 1 1473 . 1 1 163 163 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 5595 1 1474 . 1 1 163 163 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 5595 1 1475 . 1 1 163 163 LEU HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5595 1 1476 . 1 1 163 163 LEU HB3 H 1 1.49 0.02 . 2 . . . . . . . . 5595 1 1477 . 1 1 163 163 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . 5595 1 1478 . 1 1 163 163 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 1479 . 1 1 163 163 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 1480 . 1 1 163 163 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5595 1 1481 . 1 1 163 163 LEU C C 13 178.49 0.50 . 1 . . . . . . . . 5595 1 1482 . 1 1 163 163 LEU CA C 13 56.34 0.50 . 1 . . . . . . . . 5595 1 1483 . 1 1 163 163 LEU CB C 13 41.70 0.50 . 1 . . . . . . . . 5595 1 1484 . 1 1 163 163 LEU CG C 13 26.83 0.50 . 1 . . . . . . . . 5595 1 1485 . 1 1 163 163 LEU CD1 C 13 24.97 0.50 . 2 . . . . . . . . 5595 1 1486 . 1 1 163 163 LEU CD2 C 13 23.27 0.50 . 2 . . . . . . . . 5595 1 1487 . 1 1 163 163 LEU N N 15 120.56 0.30 . 1 . . . . . . . . 5595 1 1488 . 1 1 164 164 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 5595 1 1489 . 1 1 164 164 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 5595 1 1490 . 1 1 164 164 GLY C C 13 175.47 0.50 . 1 . . . . . . . . 5595 1 1491 . 1 1 164 164 GLY CA C 13 46.28 0.50 . 1 . . . . . . . . 5595 1 1492 . 1 1 164 164 GLY N N 15 107.92 0.30 . 1 . . . . . . . . 5595 1 1493 . 1 1 165 165 ARG H H 1 7.84 0.02 . 1 . . . . . . . . 5595 1 1494 . 1 1 165 165 ARG HA H 1 4.20 0.02 . 1 . . . . . . . . 5595 1 1495 . 1 1 165 165 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5595 1 1496 . 1 1 165 165 ARG HG2 H 1 1.60 0.02 . 2 . . . . . . . . 5595 1 1497 . 1 1 165 165 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 5595 1 1498 . 1 1 165 165 ARG CA C 13 57.20 0.50 . 1 . . . . . . . . 5595 1 1499 . 1 1 165 165 ARG CB C 13 30.56 0.50 . 1 . . . . . . . . 5595 1 1500 . 1 1 165 165 ARG CG C 13 27.47 0.50 . 1 . . . . . . . . 5595 1 1501 . 1 1 165 165 ARG CD C 13 43.49 0.50 . 1 . . . . . . . . 5595 1 1502 . 1 1 165 165 ARG N N 15 120.24 0.30 . 1 . . . . . . . . 5595 1 1503 . 1 1 166 166 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5595 1 1504 . 1 1 166 166 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 5595 1 1505 . 1 1 166 166 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5595 1 1506 . 1 1 166 166 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 5595 1 1507 . 1 1 166 166 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 5595 1 1508 . 1 1 166 166 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 5595 1 1509 . 1 1 166 166 LEU C C 13 177.89 0.50 . 1 . . . . . . . . 5595 1 1510 . 1 1 166 166 LEU CA C 13 55.81 0.50 . 1 . . . . . . . . 5595 1 1511 . 1 1 166 166 LEU CB C 13 42.09 0.50 . 1 . . . . . . . . 5595 1 1512 . 1 1 166 166 LEU CG C 13 26.92 0.50 . 1 . . . . . . . . 5595 1 1513 . 1 1 166 166 LEU CD1 C 13 24.93 0.50 . 2 . . . . . . . . 5595 1 1514 . 1 1 166 166 LEU CD2 C 13 23.34 0.50 . 2 . . . . . . . . 5595 1 1515 . 1 1 166 166 LEU N N 15 120.99 0.30 . 1 . . . . . . . . 5595 1 1516 . 1 1 167 167 ARG H H 1 7.92 0.02 . 1 . . . . . . . . 5595 1 1517 . 1 1 167 167 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 5595 1 1518 . 1 1 167 167 ARG HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5595 1 1519 . 1 1 167 167 ARG HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5595 1 1520 . 1 1 167 167 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 5595 1 1521 . 1 1 167 167 ARG C C 13 175.85 0.50 . 1 . . . . . . . . 5595 1 1522 . 1 1 167 167 ARG CA C 13 56.35 0.50 . 1 . . . . . . . . 5595 1 1523 . 1 1 167 167 ARG CB C 13 30.75 0.50 . 1 . . . . . . . . 5595 1 1524 . 1 1 167 167 ARG CG C 13 27.41 0.50 . 1 . . . . . . . . 5595 1 1525 . 1 1 167 167 ARG CD C 13 43.42 0.50 . 1 . . . . . . . . 5595 1 1526 . 1 1 167 167 ARG N N 15 119.92 0.30 . 1 . . . . . . . . 5595 1 1527 . 1 1 168 168 ALA H H 1 7.88 0.02 . 1 . . . . . . . . 5595 1 1528 . 1 1 168 168 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5595 1 1529 . 1 1 168 168 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 5595 1 1530 . 1 1 168 168 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5595 1 1531 . 1 1 168 168 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 5595 1 1532 . 1 1 168 168 ALA C C 13 177.21 0.50 . 1 . . . . . . . . 5595 1 1533 . 1 1 168 168 ALA CA C 13 52.12 0.50 . 1 . . . . . . . . 5595 1 1534 . 1 1 168 168 ALA CB C 13 19.35 0.50 . 1 . . . . . . . . 5595 1 1535 . 1 1 168 168 ALA N N 15 123.59 0.30 . 1 . . . . . . . . 5595 1 1536 . 1 1 169 169 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5595 1 1537 . 1 1 169 169 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 5595 1 1538 . 1 1 169 169 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5595 1 1539 . 1 1 169 169 LEU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 5595 1 1540 . 1 1 169 169 LEU CA C 13 53.29 0.50 . 1 . . . . . . . . 5595 1 1541 . 1 1 169 169 LEU CB C 13 41.81 0.50 . 1 . . . . . . . . 5595 1 1542 . 1 1 169 169 LEU N N 15 122.56 0.30 . 1 . . . . . . . . 5595 1 1543 . 1 1 170 170 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 5595 1 1544 . 1 1 170 170 PRO HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5595 1 1545 . 1 1 170 170 PRO HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5595 1 1546 . 1 1 170 170 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 5595 1 1547 . 1 1 170 170 PRO HD2 H 1 3.79 0.02 . 2 . . . . . . . . 5595 1 1548 . 1 1 170 170 PRO HD3 H 1 3.58 0.02 . 2 . . . . . . . . 5595 1 1549 . 1 1 170 170 PRO C C 13 176.38 0.50 . 1 . . . . . . . . 5595 1 1550 . 1 1 170 170 PRO CA C 13 63.06 0.50 . 1 . . . . . . . . 5595 1 1551 . 1 1 170 170 PRO CB C 13 32.02 0.50 . 1 . . . . . . . . 5595 1 1552 . 1 1 170 170 PRO CG C 13 27.41 0.50 . 1 . . . . . . . . 5595 1 1553 . 1 1 170 170 PRO CD C 13 50.46 0.50 . 1 . . . . . . . . 5595 1 1554 . 1 1 171 171 HIS H H 1 8.32 0.02 . 1 . . . . . . . . 5595 1 1555 . 1 1 171 171 HIS HA H 1 4.91 0.02 . 1 . . . . . . . . 5595 1 1556 . 1 1 171 171 HIS HB2 H 1 4.48 0.02 . 2 . . . . . . . . 5595 1 1557 . 1 1 171 171 HIS HB3 H 1 3.12 0.02 . 2 . . . . . . . . 5595 1 1558 . 1 1 171 171 HIS CA C 13 53.69 0.50 . 1 . . . . . . . . 5595 1 1559 . 1 1 171 171 HIS CB C 13 29.49 0.50 . 1 . . . . . . . . 5595 1 1560 . 1 1 171 171 HIS N N 15 119.77 0.30 . 1 . . . . . . . . 5595 1 1561 . 1 1 172 172 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 5595 1 1562 . 1 1 172 172 PRO HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5595 1 1563 . 1 1 172 172 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5595 1 1564 . 1 1 172 172 PRO HG2 H 1 1.73 0.02 . 2 . . . . . . . . 5595 1 1565 . 1 1 172 172 PRO HG3 H 1 1.94 0.02 . 2 . . . . . . . . 5595 1 1566 . 1 1 172 172 PRO HD2 H 1 3.45 0.02 . 2 . . . . . . . . 5595 1 1567 . 1 1 172 172 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 5595 1 1568 . 1 1 172 172 PRO C C 13 176.82 0.50 . 1 . . . . . . . . 5595 1 1569 . 1 1 172 172 PRO CA C 13 63.24 0.50 . 1 . . . . . . . . 5595 1 1570 . 1 1 172 172 PRO CB C 13 32.13 0.50 . 1 . . . . . . . . 5595 1 1571 . 1 1 172 172 PRO CG C 13 27.43 0.50 . 1 . . . . . . . . 5595 1 1572 . 1 1 172 172 PRO CD C 13 50.57 0.50 . 1 . . . . . . . . 5595 1 1573 . 1 1 173 173 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 5595 1 1574 . 1 1 173 173 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 5595 1 1575 . 1 1 173 173 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5595 1 1576 . 1 1 173 173 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5595 1 1577 . 1 1 173 173 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5595 1 1578 . 1 1 173 173 ALA C C 13 178.34 0.50 . 1 . . . . . . . . 5595 1 1579 . 1 1 173 173 ALA CA C 13 52.90 0.50 . 1 . . . . . . . . 5595 1 1580 . 1 1 173 173 ALA CB C 13 19.18 0.50 . 1 . . . . . . . . 5595 1 1581 . 1 1 173 173 ALA N N 15 124.90 0.30 . 1 . . . . . . . . 5595 1 1582 . 1 1 174 174 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5595 1 1583 . 1 1 174 174 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5595 1 1584 . 1 1 174 174 GLY C C 13 173.73 0.50 . 1 . . . . . . . . 5595 1 1585 . 1 1 174 174 GLY CA C 13 45.34 0.50 . 1 . . . . . . . . 5595 1 1586 . 1 1 174 174 GLY N N 15 108.84 0.30 . 1 . . . . . . . . 5595 1 1587 . 1 1 175 175 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 5595 1 1588 . 1 1 175 175 GLY HA2 H 1 3.75 0.02 . 2 . . . . . . . . 5595 1 1589 . 1 1 175 175 GLY CA C 13 45.94 0.50 . 1 . . . . . . . . 5595 1 1590 . 1 1 175 175 GLY N N 15 115.10 0.30 . 1 . . . . . . . . 5595 1 stop_ save_