data_16364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16364 _Entry.Title ; Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-25 _Entry.Accession_date 2009-06-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Forkhead-associated (FHA) domain' _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 Yunhuang Yang . . . 16364 2 Theresa Ramelot . A. . 16364 3 Dongyan Wang . . . 16364 4 Erica Foote . L. . 16364 5 M. Jiang . . . 16364 6 R. Nair . . . 16364 7 Burkhard Rost . . . 16364 8 G.V.T Swapna . . . 16364 9 Thomas Acton . B. . 16364 10 Rong Xiao . . . 16364 11 John Everett . K. . 16364 12 Gaetano Montelio . T. . 16364 13 Michael Kennedy . A. . 16364 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16364 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID beta . 16364 'FHA domain' . 16364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 586 16364 '15N chemical shifts' 150 16364 '1H chemical shifts' 941 16364 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-28 2009-06-25 update BMRB 'edit entity/assembly name' 16364 1 . . 2009-07-07 2009-06-25 original author 'original release' 16364 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KKL 'BMRB Entry Tracking System' 16364 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16364 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155).' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 16364 1 2 Theresa Ramelot . A. . 16364 1 3 Dongyan Wang . . . 16364 1 4 Erica Foote . L. . 16364 1 5 M. Jiang . . . 16364 1 6 R. Nair . . . 16364 1 7 Burkhard Rost . . . 16364 1 8 G.V.T Swapna . . . 16364 1 9 Thomas Acton . B. . 16364 1 10 Rong Xiao . . . 16364 1 11 John Everett . K. . 16364 1 12 Gaetano Montelio . T. . 16364 1 13 Michael Kennedy . A. . 16364 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID FHA 16364 1 Mb1858 16364 1 'Mycobacterium bovis' 16364 1 'Solution NMR' 16364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16364 _Assembly.ID 1 _Assembly.Name Mb1858 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mb1858 1 $entity A . yes native no no . . . 16364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mb1858 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VFRADFLSELDAPAQAGTES AVSGVEGLPPGLALLVVKRG PNAGSRFLLDQAITSAGRHP DSDIFLDDVTVSRRHAEFRL ENNEFNVVDVGSLNGTYVNR EPVDSAVLANGDEVQIGKFR LVFLTGHKQGEDLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 24-155 of Mb1858 followed by 8 non-native C-terminal residues (LEHHHHHH)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15241.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16248 . "PknB-phosphorylated Rv1827" . . . . . 94.29 167 98.48 98.48 4.64e-85 . . . . 16364 1 2 no PDB 2KFU . "Pknb-Phosphorylated Rv1827" . . . . . 94.29 162 98.48 98.48 2.52e-85 . . . . 16364 1 3 no PDB 2KKL . "Solution Nmr Structure Of Fha Domain Of Mb1858 From Mycobacterium Bovis. Northeast Structural Genomics Consortium Target Mbr243" . . . . . 100.00 140 100.00 100.00 3.75e-94 . . . . 16364 1 4 no DBJ BAH26133 . "hypothetical protein cfp17 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 5 no DBJ BAL65810 . "hypothetical protein ERDMAN_2017 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 6 no DBJ BAQ05852 . "conserved protein with FHA domain [Mycobacterium tuberculosis str. Kurono]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 7 no DBJ BAQ05855 . "hypothetical protein KURONO_2059 [Mycobacterium tuberculosis str. Kurono]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 8 no DBJ GAA45536 . "hypothetical protein NCGM2209_2163 [Mycobacterium tuberculosis NCGM2209]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 9 no EMBL CAL71849 . "Conserved hypothetical protein cfp17 [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 10 no EMBL CCC26919 . "conserved hypothetical protein CFP17 [Mycobacterium africanum GM041182]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 11 no EMBL CCC44174 . "conserved hypothetical protein CFP17 [Mycobacterium canettii CIPT 140010059]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 12 no EMBL CCC64431 . "conserved hypothetical protein cfp17 [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 13 no EMBL CCE37310 . "cfp17 [Mycobacterium tuberculosis UT205]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 14 no GB AAK46148 . "garA protein [Mycobacterium tuberculosis CDC1551]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 15 no GB ABQ73594 . "hypothetical protein Cfp17 [Mycobacterium tuberculosis H37Ra]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 16 no GB ABR06192 . "hypothetical protein cfp17 [Mycobacterium tuberculosis F11]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 17 no GB ACT25235 . "hypothetical protein cfp17 [Mycobacterium tuberculosis KZN 1435]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 18 no GB AEB04307 . "hypothetical protein cfp17 [Mycobacterium tuberculosis KZN 4207]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 19 no REF NP_216343 . "glycogen accumulation regulator GarA [Mycobacterium tuberculosis H37Rv]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 20 no REF NP_855510 . "hypothetical protein Mb1858 [Mycobacterium bovis AF2122/97]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 21 no REF WP_003899041 . "MULTISPECIES: glycogen accumulation regulator GarA [Mycobacterium]" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 22 no REF WP_015303233 . "FHA domain-containing protein [Mycobacterium canettii]" . . . . . 94.29 162 97.73 98.48 3.03e-85 . . . . 16364 1 23 no REF WP_021083142 . "FHA domain-containinging protein [Mycobacterium tuberculosis]" . . . . . 94.29 159 98.48 98.48 1.73e-85 . . . . 16364 1 24 no SP P64898 . "RecName: Full=Uncharacterized protein Mb1858" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 25 no SP P9WJA8 . "RecName: Full=Glycogen accumulation regulator GarA" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 1 26 no SP P9WJA9 . "RecName: Full=Glycogen accumulation regulator GarA" . . . . . 94.29 162 98.48 98.48 1.66e-85 . . . . 16364 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 24 VAL . 16364 1 2 25 PHE . 16364 1 3 26 ARG . 16364 1 4 27 ALA . 16364 1 5 28 ASP . 16364 1 6 29 PHE . 16364 1 7 30 LEU . 16364 1 8 31 SER . 16364 1 9 32 GLU . 16364 1 10 33 LEU . 16364 1 11 34 ASP . 16364 1 12 35 ALA . 16364 1 13 36 PRO . 16364 1 14 37 ALA . 16364 1 15 38 GLN . 16364 1 16 39 ALA . 16364 1 17 40 GLY . 16364 1 18 41 THR . 16364 1 19 42 GLU . 16364 1 20 43 SER . 16364 1 21 44 ALA . 16364 1 22 45 VAL . 16364 1 23 46 SER . 16364 1 24 47 GLY . 16364 1 25 48 VAL . 16364 1 26 49 GLU . 16364 1 27 50 GLY . 16364 1 28 51 LEU . 16364 1 29 52 PRO . 16364 1 30 53 PRO . 16364 1 31 54 GLY . 16364 1 32 55 LEU . 16364 1 33 56 ALA . 16364 1 34 57 LEU . 16364 1 35 58 LEU . 16364 1 36 59 VAL . 16364 1 37 60 VAL . 16364 1 38 61 LYS . 16364 1 39 62 ARG . 16364 1 40 63 GLY . 16364 1 41 64 PRO . 16364 1 42 65 ASN . 16364 1 43 66 ALA . 16364 1 44 67 GLY . 16364 1 45 68 SER . 16364 1 46 69 ARG . 16364 1 47 70 PHE . 16364 1 48 71 LEU . 16364 1 49 72 LEU . 16364 1 50 73 ASP . 16364 1 51 74 GLN . 16364 1 52 75 ALA . 16364 1 53 76 ILE . 16364 1 54 77 THR . 16364 1 55 78 SER . 16364 1 56 79 ALA . 16364 1 57 80 GLY . 16364 1 58 81 ARG . 16364 1 59 82 HIS . 16364 1 60 83 PRO . 16364 1 61 84 ASP . 16364 1 62 85 SER . 16364 1 63 86 ASP . 16364 1 64 87 ILE . 16364 1 65 88 PHE . 16364 1 66 89 LEU . 16364 1 67 90 ASP . 16364 1 68 91 ASP . 16364 1 69 92 VAL . 16364 1 70 93 THR . 16364 1 71 94 VAL . 16364 1 72 95 SER . 16364 1 73 96 ARG . 16364 1 74 97 ARG . 16364 1 75 98 HIS . 16364 1 76 99 ALA . 16364 1 77 100 GLU . 16364 1 78 101 PHE . 16364 1 79 102 ARG . 16364 1 80 103 LEU . 16364 1 81 104 GLU . 16364 1 82 105 ASN . 16364 1 83 106 ASN . 16364 1 84 107 GLU . 16364 1 85 108 PHE . 16364 1 86 109 ASN . 16364 1 87 110 VAL . 16364 1 88 111 VAL . 16364 1 89 112 ASP . 16364 1 90 113 VAL . 16364 1 91 114 GLY . 16364 1 92 115 SER . 16364 1 93 116 LEU . 16364 1 94 117 ASN . 16364 1 95 118 GLY . 16364 1 96 119 THR . 16364 1 97 120 TYR . 16364 1 98 121 VAL . 16364 1 99 122 ASN . 16364 1 100 123 ARG . 16364 1 101 124 GLU . 16364 1 102 125 PRO . 16364 1 103 126 VAL . 16364 1 104 127 ASP . 16364 1 105 128 SER . 16364 1 106 129 ALA . 16364 1 107 130 VAL . 16364 1 108 131 LEU . 16364 1 109 132 ALA . 16364 1 110 133 ASN . 16364 1 111 134 GLY . 16364 1 112 135 ASP . 16364 1 113 136 GLU . 16364 1 114 137 VAL . 16364 1 115 138 GLN . 16364 1 116 139 ILE . 16364 1 117 140 GLY . 16364 1 118 141 LYS . 16364 1 119 142 PHE . 16364 1 120 143 ARG . 16364 1 121 144 LEU . 16364 1 122 145 VAL . 16364 1 123 146 PHE . 16364 1 124 147 LEU . 16364 1 125 148 THR . 16364 1 126 149 GLY . 16364 1 127 150 HIS . 16364 1 128 151 LYS . 16364 1 129 152 GLN . 16364 1 130 153 GLY . 16364 1 131 154 GLU . 16364 1 132 155 ASP . 16364 1 133 156 LEU . 16364 1 134 157 GLU . 16364 1 135 158 HIS . 16364 1 136 159 HIS . 16364 1 137 160 HIS . 16364 1 138 161 HIS . 16364 1 139 162 HIS . 16364 1 140 163 HIS . 16364 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 . VAL 1 1 16364 1 . PHE 2 2 16364 1 . ARG 3 3 16364 1 . ALA 4 4 16364 1 . ASP 5 5 16364 1 . PHE 6 6 16364 1 . LEU 7 7 16364 1 . SER 8 8 16364 1 . GLU 9 9 16364 1 . LEU 10 10 16364 1 . ASP 11 11 16364 1 . ALA 12 12 16364 1 . PRO 13 13 16364 1 . ALA 14 14 16364 1 . GLN 15 15 16364 1 . ALA 16 16 16364 1 . GLY 17 17 16364 1 . THR 18 18 16364 1 . GLU 19 19 16364 1 . SER 20 20 16364 1 . ALA 21 21 16364 1 . VAL 22 22 16364 1 . SER 23 23 16364 1 . GLY 24 24 16364 1 . VAL 25 25 16364 1 . GLU 26 26 16364 1 . GLY 27 27 16364 1 . LEU 28 28 16364 1 . PRO 29 29 16364 1 . PRO 30 30 16364 1 . GLY 31 31 16364 1 . LEU 32 32 16364 1 . ALA 33 33 16364 1 . LEU 34 34 16364 1 . LEU 35 35 16364 1 . VAL 36 36 16364 1 . VAL 37 37 16364 1 . LYS 38 38 16364 1 . ARG 39 39 16364 1 . GLY 40 40 16364 1 . PRO 41 41 16364 1 . ASN 42 42 16364 1 . ALA 43 43 16364 1 . GLY 44 44 16364 1 . SER 45 45 16364 1 . ARG 46 46 16364 1 . PHE 47 47 16364 1 . LEU 48 48 16364 1 . LEU 49 49 16364 1 . ASP 50 50 16364 1 . GLN 51 51 16364 1 . ALA 52 52 16364 1 . ILE 53 53 16364 1 . THR 54 54 16364 1 . SER 55 55 16364 1 . ALA 56 56 16364 1 . GLY 57 57 16364 1 . ARG 58 58 16364 1 . HIS 59 59 16364 1 . PRO 60 60 16364 1 . ASP 61 61 16364 1 . SER 62 62 16364 1 . ASP 63 63 16364 1 . ILE 64 64 16364 1 . PHE 65 65 16364 1 . LEU 66 66 16364 1 . ASP 67 67 16364 1 . ASP 68 68 16364 1 . VAL 69 69 16364 1 . THR 70 70 16364 1 . VAL 71 71 16364 1 . SER 72 72 16364 1 . ARG 73 73 16364 1 . ARG 74 74 16364 1 . HIS 75 75 16364 1 . ALA 76 76 16364 1 . GLU 77 77 16364 1 . PHE 78 78 16364 1 . ARG 79 79 16364 1 . LEU 80 80 16364 1 . GLU 81 81 16364 1 . ASN 82 82 16364 1 . ASN 83 83 16364 1 . GLU 84 84 16364 1 . PHE 85 85 16364 1 . ASN 86 86 16364 1 . VAL 87 87 16364 1 . VAL 88 88 16364 1 . ASP 89 89 16364 1 . VAL 90 90 16364 1 . GLY 91 91 16364 1 . SER 92 92 16364 1 . LEU 93 93 16364 1 . ASN 94 94 16364 1 . GLY 95 95 16364 1 . THR 96 96 16364 1 . TYR 97 97 16364 1 . VAL 98 98 16364 1 . ASN 99 99 16364 1 . ARG 100 100 16364 1 . GLU 101 101 16364 1 . PRO 102 102 16364 1 . VAL 103 103 16364 1 . ASP 104 104 16364 1 . SER 105 105 16364 1 . ALA 106 106 16364 1 . VAL 107 107 16364 1 . LEU 108 108 16364 1 . ALA 109 109 16364 1 . ASN 110 110 16364 1 . GLY 111 111 16364 1 . ASP 112 112 16364 1 . GLU 113 113 16364 1 . VAL 114 114 16364 1 . GLN 115 115 16364 1 . ILE 116 116 16364 1 . GLY 117 117 16364 1 . LYS 118 118 16364 1 . PHE 119 119 16364 1 . ARG 120 120 16364 1 . LEU 121 121 16364 1 . VAL 122 122 16364 1 . PHE 123 123 16364 1 . LEU 124 124 16364 1 . THR 125 125 16364 1 . GLY 126 126 16364 1 . HIS 127 127 16364 1 . LYS 128 128 16364 1 . GLN 129 129 16364 1 . GLY 130 130 16364 1 . GLU 131 131 16364 1 . ASP 132 132 16364 1 . LEU 133 133 16364 1 . GLU 134 134 16364 1 . HIS 135 135 16364 1 . HIS 136 136 16364 1 . HIS 137 137 16364 1 . HIS 138 138 16364 1 . HIS 139 139 16364 1 . HIS 140 140 16364 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 16364 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1765 organism . 'Mycobacterium Bovis' 'Mycobacterium Bovis' . . Bacteria . Mycobacterium Bovis . . . . . . . . . . . . . . . . MB1858 . residues(24-155) . . 16364 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 16364 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16364 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16364 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mb1858 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16364 1 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16364 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16364 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16364 1 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16364 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16364 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16364 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16364 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 16364 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mb1858 'natural abundance' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16364 2 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16364 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16364 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16364 2 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16364 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16364 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16364 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16364 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 16364 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mb1858 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16364 3 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16364 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16364 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16364 3 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16364 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16364 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16364 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16364 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.02 M 16364 1 pH 6.5 0.1 pH 16364 1 pressure 1 . atm 16364 1 temperature 293 1 K 16364 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16364 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16364 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16364 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16364 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16364 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16364 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16364 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16364 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16364 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16364 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16364 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16364 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16364 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16364 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16364 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16364 _Software.ID 6 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16364 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16364 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16364 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16364 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16364 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16364 _Software.ID 8 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16364 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16364 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16364 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16364 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16364 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 16364 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 16364 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16364 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16364 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16364 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16364 1 2 spectrometer_2 Bruker AvanceIII . 850 . . . 16364 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 16364 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 3 '2D 1H-13C HSQC (no ct)' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 4 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 5 '3D 1H-13C NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 6 '3D HNCO' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 7 '3D HNCA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 8 '3D HNCACB' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 9 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 10 '3D HN(CO)CA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 11 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 12 '3D H(CCO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 13 '3D C(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 14 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 15 '3D HCCH-COSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 16 '3D CCH-TOCSY' yes . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 17 '4D CC NOESY' yes . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16364 1 18 '2D 1H-13C HSQC (ct)' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 19 '2D 1H-13C HSQC (arom)' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 20 '3D 1H-13C NOESY (arom)' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16364 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16364 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16364 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16364 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16364 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16364 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16364 1 2 '2D 1H-13C HSQC' . . . 16364 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 7 $SPARKY . . 16364 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 1 1 VAL H H 1 7.84 0.02 . 1 . . . . 24 VAL H . 16364 1 2 . 1 1 1 1 VAL HA H 1 3.73 0.02 . 1 . . . . 24 VAL HA . 16364 1 3 . 1 1 1 1 VAL HB H 1 2.14 0.02 . 1 . . . . 24 VAL HB . 16364 1 4 . 1 1 1 1 VAL HG11 H 1 0.96 0.02 . 2 . . . . 24 VAL HG1 . 16364 1 5 . 1 1 1 1 VAL HG12 H 1 0.96 0.02 . 2 . . . . 24 VAL HG1 . 16364 1 6 . 1 1 1 1 VAL HG13 H 1 0.96 0.02 . 2 . . . . 24 VAL HG1 . 16364 1 7 . 1 1 1 1 VAL HG21 H 1 0.96 0.02 . 2 . . . . 24 VAL HG2 . 16364 1 8 . 1 1 1 1 VAL HG22 H 1 0.96 0.02 . 2 . . . . 24 VAL HG2 . 16364 1 9 . 1 1 1 1 VAL HG23 H 1 0.96 0.02 . 2 . . . . 24 VAL HG2 . 16364 1 10 . 1 1 1 1 VAL C C 13 173.9 0.2 . 1 . . . . 24 VAL C . 16364 1 11 . 1 1 1 1 VAL CA C 13 61.3 0.2 . 1 . . . . 24 VAL CA . 16364 1 12 . 1 1 1 1 VAL CB C 13 33.1 0.2 . 1 . . . . 24 VAL CB . 16364 1 13 . 1 1 1 1 VAL CG1 C 13 20.5 0.2 . 2 . . . . 24 VAL CG1 . 16364 1 14 . 1 1 1 1 VAL CG2 C 13 19.7 0.2 . 2 . . . . 24 VAL CG2 . 16364 1 15 . 1 1 2 2 PHE H H 1 8.64 0.02 . 1 . . . . 25 PHE H . 16364 1 16 . 1 1 2 2 PHE HA H 1 4.63 0.02 . 1 . . . . 25 PHE HA . 16364 1 17 . 1 1 2 2 PHE HB2 H 1 3.09 0.02 . 2 . . . . 25 PHE HB2 . 16364 1 18 . 1 1 2 2 PHE HB3 H 1 3.00 0.02 . 2 . . . . 25 PHE HB3 . 16364 1 19 . 1 1 2 2 PHE HD1 H 1 7.26 0.02 . 3 . . . . 25 PHE HD1 . 16364 1 20 . 1 1 2 2 PHE HD2 H 1 7.26 0.02 . 3 . . . . 25 PHE HD2 . 16364 1 21 . 1 1 2 2 PHE HE1 H 1 7.21 0.02 . 3 . . . . 25 PHE HE1 . 16364 1 22 . 1 1 2 2 PHE HE2 H 1 7.21 0.02 . 3 . . . . 25 PHE HE2 . 16364 1 23 . 1 1 2 2 PHE HZ H 1 6.56 0.02 . 1 . . . . 25 PHE HZ . 16364 1 24 . 1 1 2 2 PHE C C 13 175 0.2 . 1 . . . . 25 PHE C . 16364 1 25 . 1 1 2 2 PHE CA C 13 58 0.2 . 1 . . . . 25 PHE CA . 16364 1 26 . 1 1 2 2 PHE CB C 13 39.7 0.2 . 1 . . . . 25 PHE CB . 16364 1 27 . 1 1 2 2 PHE CD1 C 13 131.5 0.2 . 3 . . . . 25 PHE CD1 . 16364 1 28 . 1 1 2 2 PHE CD2 C 13 131.5 0.2 . 3 . . . . 25 PHE CD2 . 16364 1 29 . 1 1 2 2 PHE CE1 C 13 130.8 0.2 . 3 . . . . 25 PHE CE1 . 16364 1 30 . 1 1 2 2 PHE CE2 C 13 130.8 0.2 . 3 . . . . 25 PHE CE2 . 16364 1 31 . 1 1 3 3 ARG H H 1 8.21 0.02 . 1 . . . . 26 ARG H . 16364 1 32 . 1 1 3 3 ARG HA H 1 4.20 0.02 . 1 . . . . 26 ARG HA . 16364 1 33 . 1 1 3 3 ARG HB2 H 1 1.72 0.02 . 2 . . . . 26 ARG HB2 . 16364 1 34 . 1 1 3 3 ARG HB3 H 1 1.6 0.02 . 2 . . . . 26 ARG HB3 . 16364 1 35 . 1 1 3 3 ARG HD2 H 1 3.09 0.02 . 2 . . . . 26 ARG HD2 . 16364 1 36 . 1 1 3 3 ARG HD3 H 1 3.09 0.02 . 2 . . . . 26 ARG HD3 . 16364 1 37 . 1 1 3 3 ARG HE H 1 7.3 0.02 . 1 . . . . 26 ARG HE . 16364 1 38 . 1 1 3 3 ARG HG2 H 1 1.49 0.02 . 2 . . . . 26 ARG HG2 . 16364 1 39 . 1 1 3 3 ARG HG3 H 1 1.49 0.02 . 2 . . . . 26 ARG HG3 . 16364 1 40 . 1 1 3 3 ARG C C 13 175.1 0.2 . 1 . . . . 26 ARG C . 16364 1 41 . 1 1 3 3 ARG CA C 13 55.6 0.2 . 1 . . . . 26 ARG CA . 16364 1 42 . 1 1 3 3 ARG CB C 13 31.3 0.2 . 1 . . . . 26 ARG CB . 16364 1 43 . 1 1 3 3 ARG CD C 13 43.5 0.2 . 1 . . . . 26 ARG CD . 16364 1 44 . 1 1 3 3 ARG CG C 13 27.1 0.2 . 1 . . . . 26 ARG CG . 16364 1 45 . 1 1 3 3 ARG N N 15 125.0 0.2 . 1 . . . . 26 ARG N . 16364 1 46 . 1 1 3 3 ARG NE N 15 84.3 0.2 . 1 . . . . 26 ARG NE . 16364 1 47 . 1 1 4 4 ALA H H 1 8.26 0.02 . 1 . . . . 27 ALA H . 16364 1 48 . 1 1 4 4 ALA HA H 1 4.09 0.02 . 1 . . . . 27 ALA HA . 16364 1 49 . 1 1 4 4 ALA HB1 H 1 1.28 0.02 . 1 . . . . 27 ALA HB . 16364 1 50 . 1 1 4 4 ALA HB2 H 1 1.28 0.02 . 1 . . . . 27 ALA HB . 16364 1 51 . 1 1 4 4 ALA HB3 H 1 1.28 0.02 . 1 . . . . 27 ALA HB . 16364 1 52 . 1 1 4 4 ALA C C 13 177.3 0.2 . 1 . . . . 27 ALA C . 16364 1 53 . 1 1 4 4 ALA CA C 13 52.8 0.2 . 1 . . . . 27 ALA CA . 16364 1 54 . 1 1 4 4 ALA CB C 13 19.2 0.2 . 1 . . . . 27 ALA CB . 16364 1 55 . 1 1 4 4 ALA N N 15 125.4 0.2 . 1 . . . . 27 ALA N . 16364 1 56 . 1 1 5 5 ASP H H 1 8.26 0.02 . 1 . . . . 28 ASP H . 16364 1 57 . 1 1 5 5 ASP HA H 1 4.47 0.02 . 1 . . . . 28 ASP HA . 16364 1 58 . 1 1 5 5 ASP HB2 H 1 2.57 0.02 . 2 . . . . 28 ASP HB2 . 16364 1 59 . 1 1 5 5 ASP HB3 H 1 2.57 0.02 . 2 . . . . 28 ASP HB3 . 16364 1 60 . 1 1 5 5 ASP C C 13 176.2 0.2 . 1 . . . . 28 ASP C . 16364 1 61 . 1 1 5 5 ASP CA C 13 54.5 0.2 . 1 . . . . 28 ASP CA . 16364 1 62 . 1 1 5 5 ASP CB C 13 40.7 0.2 . 1 . . . . 28 ASP CB . 16364 1 63 . 1 1 5 5 ASP N N 15 118.2 0.2 . 1 . . . . 28 ASP N . 16364 1 64 . 1 1 6 6 PHE H H 1 7.93 0.02 . 1 . . . . 29 PHE H . 16364 1 65 . 1 1 6 6 PHE HA H 1 4.51 0.02 . 1 . . . . 29 PHE HA . 16364 1 66 . 1 1 6 6 PHE HB2 H 1 3.07 0.02 . 2 . . . . 29 PHE HB2 . 16364 1 67 . 1 1 6 6 PHE HB3 H 1 3.02 0.02 . 2 . . . . 29 PHE HB3 . 16364 1 68 . 1 1 6 6 PHE HD1 H 1 7.16 0.02 . 3 . . . . 29 PHE HD1 . 16364 1 69 . 1 1 6 6 PHE HD2 H 1 7.16 0.02 . 3 . . . . 29 PHE HD2 . 16364 1 70 . 1 1 6 6 PHE HE1 H 1 7.21 0.02 . 3 . . . . 29 PHE HE1 . 16364 1 71 . 1 1 6 6 PHE HE2 H 1 7.21 0.02 . 3 . . . . 29 PHE HE2 . 16364 1 72 . 1 1 6 6 PHE HZ H 1 6.96 0.02 . 1 . . . . 29 PHE HZ . 16364 1 73 . 1 1 6 6 PHE C C 13 175.7 0.2 . 1 . . . . 29 PHE C . 16364 1 74 . 1 1 6 6 PHE CA C 13 58 0.2 . 1 . . . . 29 PHE CA . 16364 1 75 . 1 1 6 6 PHE CB C 13 39.3 0.2 . 1 . . . . 29 PHE CB . 16364 1 76 . 1 1 6 6 PHE CD1 C 13 131.9 0.2 . 3 . . . . 29 PHE CD1 . 16364 1 77 . 1 1 6 6 PHE CD2 C 13 131.9 0.2 . 3 . . . . 29 PHE CD2 . 16364 1 78 . 1 1 6 6 PHE CE1 C 13 129.8 0.2 . 3 . . . . 29 PHE CE1 . 16364 1 79 . 1 1 6 6 PHE CE2 C 13 129.8 0.2 . 3 . . . . 29 PHE CE2 . 16364 1 80 . 1 1 6 6 PHE CZ C 13 129.1 0.2 . 1 . . . . 29 PHE CZ . 16364 1 81 . 1 1 6 6 PHE N N 15 119.4 0.2 . 1 . . . . 29 PHE N . 16364 1 82 . 1 1 7 7 LEU H H 1 8 0.02 . 1 . . . . 30 LEU H . 16364 1 83 . 1 1 7 7 LEU HA H 1 4.21 0.02 . 1 . . . . 30 LEU HA . 16364 1 84 . 1 1 7 7 LEU HB2 H 1 1.58 0.02 . 2 . . . . 30 LEU HB2 . 16364 1 85 . 1 1 7 7 LEU HB3 H 1 1.50 0.02 . 2 . . . . 30 LEU HB3 . 16364 1 86 . 1 1 7 7 LEU HD11 H 1 0.82 0.02 . 2 . . . . 30 LEU HD1 . 16364 1 87 . 1 1 7 7 LEU HD12 H 1 0.82 0.02 . 2 . . . . 30 LEU HD1 . 16364 1 88 . 1 1 7 7 LEU HD13 H 1 0.82 0.02 . 2 . . . . 30 LEU HD1 . 16364 1 89 . 1 1 7 7 LEU HD21 H 1 0.82 0.02 . 2 . . . . 30 LEU HD2 . 16364 1 90 . 1 1 7 7 LEU HD22 H 1 0.82 0.02 . 2 . . . . 30 LEU HD2 . 16364 1 91 . 1 1 7 7 LEU HD23 H 1 0.82 0.02 . 2 . . . . 30 LEU HD2 . 16364 1 92 . 1 1 7 7 LEU HG H 1 1.44 0.02 . 1 . . . . 30 LEU HG . 16364 1 93 . 1 1 7 7 LEU C C 13 177.4 0.2 . 1 . . . . 30 LEU C . 16364 1 94 . 1 1 7 7 LEU CA C 13 55.4 0.2 . 1 . . . . 30 LEU CA . 16364 1 95 . 1 1 7 7 LEU CB C 13 42.2 0.2 . 1 . . . . 30 LEU CB . 16364 1 96 . 1 1 7 7 LEU CD1 C 13 25.1 0.2 . 2 . . . . 30 LEU CD1 . 16364 1 97 . 1 1 7 7 LEU CD2 C 13 23.3 0.2 . 2 . . . . 30 LEU CD2 . 16364 1 98 . 1 1 7 7 LEU CG C 13 27.0 0.2 . 1 . . . . 30 LEU CG . 16364 1 99 . 1 1 7 7 LEU N N 15 122.1 0.2 . 1 . . . . 30 LEU N . 16364 1 100 . 1 1 8 8 SER H H 1 8.13 0.02 . 1 . . . . 31 SER H . 16364 1 101 . 1 1 8 8 SER HA H 1 4.33 0.02 . 1 . . . . 31 SER HA . 16364 1 102 . 1 1 8 8 SER HB2 H 1 3.84 0.02 . 2 . . . . 31 SER HB2 . 16364 1 103 . 1 1 8 8 SER HB3 H 1 3.84 0.02 . 2 . . . . 31 SER HB3 . 16364 1 104 . 1 1 8 8 SER C C 13 174.9 0.2 . 1 . . . . 31 SER C . 16364 1 105 . 1 1 8 8 SER CA C 13 58.8 0.2 . 1 . . . . 31 SER CA . 16364 1 106 . 1 1 8 8 SER CB C 13 63.8 0.2 . 1 . . . . 31 SER CB . 16364 1 107 . 1 1 8 8 SER N N 15 116 0.2 . 1 . . . . 31 SER N . 16364 1 108 . 1 1 9 9 GLU H H 1 8.38 0.02 . 1 . . . . 32 GLU H . 16364 1 109 . 1 1 9 9 GLU HA H 1 4.24 0.02 . 1 . . . . 32 GLU HA . 16364 1 110 . 1 1 9 9 GLU HB2 H 1 2.04 0.02 . 2 . . . . 32 GLU HB2 . 16364 1 111 . 1 1 9 9 GLU HB3 H 1 1.91 0.02 . 2 . . . . 32 GLU HB3 . 16364 1 112 . 1 1 9 9 GLU HG2 H 1 2.23 0.02 . 2 . . . . 32 GLU HG2 . 16364 1 113 . 1 1 9 9 GLU HG3 H 1 2.23 0.02 . 2 . . . . 32 GLU HG3 . 16364 1 114 . 1 1 9 9 GLU C C 13 176.6 0.2 . 1 . . . . 32 GLU C . 16364 1 115 . 1 1 9 9 GLU CA C 13 57 0.2 . 1 . . . . 32 GLU CA . 16364 1 116 . 1 1 9 9 GLU CB C 13 30 0.2 . 1 . . . . 32 GLU CB . 16364 1 117 . 1 1 9 9 GLU CG C 13 36.1 0.2 . 1 . . . . 32 GLU CG . 16364 1 118 . 1 1 9 9 GLU N N 15 122.2 0.2 . 1 . . . . 32 GLU N . 16364 1 119 . 1 1 10 10 LEU H H 1 7.99 0.02 . 1 . . . . 33 LEU H . 16364 1 120 . 1 1 10 10 LEU HA H 1 4.22 0.02 . 1 . . . . 33 LEU HA . 16364 1 121 . 1 1 10 10 LEU HB2 H 1 1.56 0.02 . 2 . . . . 33 LEU HB2 . 16364 1 122 . 1 1 10 10 LEU HB3 H 1 1.56 0.02 . 2 . . . . 33 LEU HB3 . 16364 1 123 . 1 1 10 10 LEU HD11 H 1 0.84 0.02 . 2 . . . . 33 LEU HD1 . 16364 1 124 . 1 1 10 10 LEU HD12 H 1 0.84 0.02 . 2 . . . . 33 LEU HD1 . 16364 1 125 . 1 1 10 10 LEU HD13 H 1 0.84 0.02 . 2 . . . . 33 LEU HD1 . 16364 1 126 . 1 1 10 10 LEU HD21 H 1 0.79 0.02 . 2 . . . . 33 LEU HD2 . 16364 1 127 . 1 1 10 10 LEU HD22 H 1 0.79 0.02 . 2 . . . . 33 LEU HD2 . 16364 1 128 . 1 1 10 10 LEU HD23 H 1 0.79 0.02 . 2 . . . . 33 LEU HD2 . 16364 1 129 . 1 1 10 10 LEU HG H 1 1.56 0.02 . 1 . . . . 33 LEU HG . 16364 1 130 . 1 1 10 10 LEU C C 13 177.1 0.2 . 1 . . . . 33 LEU C . 16364 1 131 . 1 1 10 10 LEU CA C 13 55.5 0.2 . 1 . . . . 33 LEU CA . 16364 1 132 . 1 1 10 10 LEU CB C 13 42.2 0.2 . 1 . . . . 33 LEU CB . 16364 1 133 . 1 1 10 10 LEU CD1 C 13 25.2 0.2 . 2 . . . . 33 LEU CD1 . 16364 1 134 . 1 1 10 10 LEU CD2 C 13 23.5 0.2 . 2 . . . . 33 LEU CD2 . 16364 1 135 . 1 1 10 10 LEU CG C 13 26.9 0.2 . 1 . . . . 33 LEU CG . 16364 1 136 . 1 1 10 10 LEU N N 15 121.2 0.2 . 1 . . . . 33 LEU N . 16364 1 137 . 1 1 11 11 ASP H H 1 8.09 0.02 . 1 . . . . 34 ASP H . 16364 1 138 . 1 1 11 11 ASP HA H 1 4.55 0.02 . 1 . . . . 34 ASP HA . 16364 1 139 . 1 1 11 11 ASP HB2 H 1 2.66 0.02 . 2 . . . . 34 ASP HB2 . 16364 1 140 . 1 1 11 11 ASP HB3 H 1 2.54 0.02 . 2 . . . . 34 ASP HB3 . 16364 1 141 . 1 1 11 11 ASP C C 13 175.4 0.2 . 1 . . . . 34 ASP C . 16364 1 142 . 1 1 11 11 ASP CA C 13 54.2 0.2 . 1 . . . . 34 ASP CA . 16364 1 143 . 1 1 11 11 ASP CB C 13 41.3 0.2 . 1 . . . . 34 ASP CB . 16364 1 144 . 1 1 11 11 ASP N N 15 120 0.2 . 1 . . . . 34 ASP N . 16364 1 145 . 1 1 12 12 ALA H H 1 7.95 0.02 . 1 . . . . 35 ALA H . 16364 1 146 . 1 1 12 12 ALA HA H 1 4.51 0.02 . 1 . . . . 35 ALA HA . 16364 1 147 . 1 1 12 12 ALA HB1 H 1 1.31 0.02 . 1 . . . . 35 ALA HB . 16364 1 148 . 1 1 12 12 ALA HB2 H 1 1.31 0.02 . 1 . . . . 35 ALA HB . 16364 1 149 . 1 1 12 12 ALA HB3 H 1 1.31 0.02 . 1 . . . . 35 ALA HB . 16364 1 150 . 1 1 12 12 ALA CA C 13 50.8 0.2 . 1 . . . . 35 ALA CA . 16364 1 151 . 1 1 12 12 ALA CB C 13 18.3 0.2 . 1 . . . . 35 ALA CB . 16364 1 152 . 1 1 12 12 ALA N N 15 124.6 0.2 . 1 . . . . 35 ALA N . 16364 1 153 . 1 1 13 13 PRO HA H 1 4.36 0.02 . 1 . . . . 36 PRO HA . 16364 1 154 . 1 1 13 13 PRO HB2 H 1 2.26 0.02 . 2 . . . . 36 PRO HB2 . 16364 1 155 . 1 1 13 13 PRO HB3 H 1 1.86 0.02 . 2 . . . . 36 PRO HB3 . 16364 1 156 . 1 1 13 13 PRO HD2 H 1 3.73 0.02 . 2 . . . . 36 PRO HD2 . 16364 1 157 . 1 1 13 13 PRO HD3 H 1 3.59 0.02 . 2 . . . . 36 PRO HD3 . 16364 1 158 . 1 1 13 13 PRO HG2 H 1 1.98 0.02 . 2 . . . . 36 PRO HG2 . 16364 1 159 . 1 1 13 13 PRO HG3 H 1 1.98 0.02 . 2 . . . . 36 PRO HG3 . 16364 1 160 . 1 1 13 13 PRO C C 13 176.9 0.2 . 1 . . . . 36 PRO C . 16364 1 161 . 1 1 13 13 PRO CA C 13 63.2 0.2 . 1 . . . . 36 PRO CA . 16364 1 162 . 1 1 13 13 PRO CB C 13 32 0.2 . 1 . . . . 36 PRO CB . 16364 1 163 . 1 1 13 13 PRO CD C 13 50.4 0.2 . 1 . . . . 36 PRO CD . 16364 1 164 . 1 1 13 13 PRO CG C 13 27.5 0.2 . 1 . . . . 36 PRO CG . 16364 1 165 . 1 1 14 14 ALA H H 1 8.39 0.02 . 1 . . . . 37 ALA H . 16364 1 166 . 1 1 14 14 ALA HA H 1 4.23 0.02 . 1 . . . . 37 ALA HA . 16364 1 167 . 1 1 14 14 ALA HB1 H 1 1.36 0.02 . 1 . . . . 37 ALA HB . 16364 1 168 . 1 1 14 14 ALA HB2 H 1 1.36 0.02 . 1 . . . . 37 ALA HB . 16364 1 169 . 1 1 14 14 ALA HB3 H 1 1.36 0.02 . 1 . . . . 37 ALA HB . 16364 1 170 . 1 1 14 14 ALA C C 13 177.9 0.2 . 1 . . . . 37 ALA C . 16364 1 171 . 1 1 14 14 ALA CA C 13 52.6 0.2 . 1 . . . . 37 ALA CA . 16364 1 172 . 1 1 14 14 ALA CB C 13 19.3 0.2 . 1 . . . . 37 ALA CB . 16364 1 173 . 1 1 14 14 ALA N N 15 123.9 0.2 . 1 . . . . 37 ALA N . 16364 1 174 . 1 1 15 15 GLN H H 1 8.33 0.02 . 1 . . . . 38 GLN H . 16364 1 175 . 1 1 15 15 GLN HA H 1 4.28 0.02 . 1 . . . . 38 GLN HA . 16364 1 176 . 1 1 15 15 GLN HB2 H 1 2.08 0.02 . 2 . . . . 38 GLN HB2 . 16364 1 177 . 1 1 15 15 GLN HB3 H 1 1.96 0.02 . 2 . . . . 38 GLN HB3 . 16364 1 178 . 1 1 15 15 GLN HE21 H 1 7.43 0.02 . 2 . . . . 38 GLN HE21 . 16364 1 179 . 1 1 15 15 GLN HE22 H 1 6.43 0.02 . 2 . . . . 38 GLN HE22 . 16364 1 180 . 1 1 15 15 GLN HG2 H 1 2.35 0.02 . 2 . . . . 38 GLN HG2 . 16364 1 181 . 1 1 15 15 GLN HG3 H 1 2.35 0.02 . 2 . . . . 38 GLN HG3 . 16364 1 182 . 1 1 15 15 GLN C C 13 175.8 0.2 . 1 . . . . 38 GLN C . 16364 1 183 . 1 1 15 15 GLN CA C 13 55.7 0.2 . 1 . . . . 38 GLN CA . 16364 1 184 . 1 1 15 15 GLN CB C 13 29.6 0.2 . 1 . . . . 38 GLN CB . 16364 1 185 . 1 1 15 15 GLN CD C 13 179.5 0.2 . 1 . . . . 38 GLN CD . 16364 1 186 . 1 1 15 15 GLN CG C 13 33.7 0.2 . 1 . . . . 38 GLN CG . 16364 1 187 . 1 1 15 15 GLN N N 15 119.3 0.2 . 1 . . . . 38 GLN N . 16364 1 188 . 1 1 15 15 GLN NE2 N 15 110.5 0.2 . 1 . . . . 38 GLN NE2 . 16364 1 189 . 1 1 16 16 ALA H H 1 8.41 0.02 . 1 . . . . 39 ALA H . 16364 1 190 . 1 1 16 16 ALA HA H 1 4.07 0.02 . 1 . . . . 39 ALA HA . 16364 1 191 . 1 1 16 16 ALA HB1 H 1 1.37 0.02 . 1 . . . . 39 ALA HB . 16364 1 192 . 1 1 16 16 ALA HB2 H 1 1.37 0.02 . 1 . . . . 39 ALA HB . 16364 1 193 . 1 1 16 16 ALA HB3 H 1 1.37 0.02 . 1 . . . . 39 ALA HB . 16364 1 194 . 1 1 16 16 ALA C C 13 178.2 0.2 . 1 . . . . 39 ALA C . 16364 1 195 . 1 1 16 16 ALA CA C 13 52.8 0.2 . 1 . . . . 39 ALA CA . 16364 1 196 . 1 1 16 16 ALA CB C 13 19.3 0.2 . 1 . . . . 39 ALA CB . 16364 1 197 . 1 1 16 16 ALA N N 15 125.6 0.2 . 1 . . . . 39 ALA N . 16364 1 198 . 1 1 17 17 GLY H H 1 8.51 0.02 . 1 . . . . 40 GLY H . 16364 1 199 . 1 1 17 17 GLY HA2 H 1 4.01 0.02 . 2 . . . . 40 GLY HA2 . 16364 1 200 . 1 1 17 17 GLY HA3 H 1 4.01 0.02 . 2 . . . . 40 GLY HA3 . 16364 1 201 . 1 1 17 17 GLY C C 13 174.6 0.2 . 1 . . . . 40 GLY C . 16364 1 202 . 1 1 17 17 GLY CA C 13 45.4 0.2 . 1 . . . . 40 GLY CA . 16364 1 203 . 1 1 17 17 GLY N N 15 108.5 0.2 . 1 . . . . 40 GLY N . 16364 1 204 . 1 1 18 18 THR H H 1 8.02 0.02 . 1 . . . . 41 THR H . 16364 1 205 . 1 1 18 18 THR HA H 1 4.32 0.02 . 1 . . . . 41 THR HA . 16364 1 206 . 1 1 18 18 THR HB H 1 4.25 0.02 . 1 . . . . 41 THR HB . 16364 1 207 . 1 1 18 18 THR HG21 H 1 1.16 0.02 . 1 . . . . 41 THR HG2 . 16364 1 208 . 1 1 18 18 THR HG22 H 1 1.16 0.02 . 1 . . . . 41 THR HG2 . 16364 1 209 . 1 1 18 18 THR HG23 H 1 1.16 0.02 . 1 . . . . 41 THR HG2 . 16364 1 210 . 1 1 18 18 THR C C 13 174.9 0.2 . 1 . . . . 41 THR C . 16364 1 211 . 1 1 18 18 THR CA C 13 62.1 0.2 . 1 . . . . 41 THR CA . 16364 1 212 . 1 1 18 18 THR CB C 13 69.9 0.2 . 1 . . . . 41 THR CB . 16364 1 213 . 1 1 18 18 THR CG2 C 13 21.6 0.2 . 1 . . . . 41 THR CG2 . 16364 1 214 . 1 1 18 18 THR N N 15 112.9 0.2 . 1 . . . . 41 THR N . 16364 1 215 . 1 1 19 19 GLU H H 1 8.63 0.02 . 1 . . . . 42 GLU H . 16364 1 216 . 1 1 19 19 GLU HA H 1 4.3 0.02 . 1 . . . . 42 GLU HA . 16364 1 217 . 1 1 19 19 GLU HB2 H 1 2.04 0.02 . 2 . . . . 42 GLU HB2 . 16364 1 218 . 1 1 19 19 GLU HB3 H 1 1.94 0.02 . 2 . . . . 42 GLU HB3 . 16364 1 219 . 1 1 19 19 GLU HG2 H 1 2.24 0.02 . 2 . . . . 42 GLU HG2 . 16364 1 220 . 1 1 19 19 GLU HG3 H 1 2.24 0.02 . 2 . . . . 42 GLU HG3 . 16364 1 221 . 1 1 19 19 GLU C C 13 176.6 0.2 . 1 . . . . 42 GLU C . 16364 1 222 . 1 1 19 19 GLU CA C 13 56.9 0.2 . 1 . . . . 42 GLU CA . 16364 1 223 . 1 1 19 19 GLU CB C 13 30 0.2 . 1 . . . . 42 GLU CB . 16364 1 224 . 1 1 19 19 GLU CG C 13 36.2 0.2 . 1 . . . . 42 GLU CG . 16364 1 225 . 1 1 19 19 GLU N N 15 123.0 0.2 . 1 . . . . 42 GLU N . 16364 1 226 . 1 1 20 20 SER H H 1 8.33 0.02 . 1 . . . . 43 SER H . 16364 1 227 . 1 1 20 20 SER HA H 1 4.40 0.02 . 1 . . . . 43 SER HA . 16364 1 228 . 1 1 20 20 SER HB2 H 1 3.82 0.02 . 2 . . . . 43 SER HB2 . 16364 1 229 . 1 1 20 20 SER HB3 H 1 3.82 0.02 . 2 . . . . 43 SER HB3 . 16364 1 230 . 1 1 20 20 SER C C 13 174.3 0.2 . 1 . . . . 43 SER C . 16364 1 231 . 1 1 20 20 SER CA C 13 58.5 0.2 . 1 . . . . 43 SER CA . 16364 1 232 . 1 1 20 20 SER CB C 13 63.9 0.2 . 1 . . . . 43 SER CB . 16364 1 233 . 1 1 20 20 SER N N 15 116.6 0.2 . 1 . . . . 43 SER N . 16364 1 234 . 1 1 21 21 ALA H H 1 8.32 0.02 . 1 . . . . 44 ALA H . 16364 1 235 . 1 1 21 21 ALA HA H 1 4.3 0.02 . 1 . . . . 44 ALA HA . 16364 1 236 . 1 1 21 21 ALA HB1 H 1 1.36 0.02 . 1 . . . . 44 ALA HB . 16364 1 237 . 1 1 21 21 ALA HB2 H 1 1.36 0.02 . 1 . . . . 44 ALA HB . 16364 1 238 . 1 1 21 21 ALA HB3 H 1 1.36 0.02 . 1 . . . . 44 ALA HB . 16364 1 239 . 1 1 21 21 ALA C C 13 177.7 0.2 . 1 . . . . 44 ALA C . 16364 1 240 . 1 1 21 21 ALA CA C 13 52.7 0.2 . 1 . . . . 44 ALA CA . 16364 1 241 . 1 1 21 21 ALA CB C 13 19.3 0.2 . 1 . . . . 44 ALA CB . 16364 1 242 . 1 1 21 21 ALA N N 15 126 0.2 . 1 . . . . 44 ALA N . 16364 1 243 . 1 1 22 22 VAL H H 1 8.04 0.02 . 1 . . . . 45 VAL H . 16364 1 244 . 1 1 22 22 VAL HA H 1 4.1 0.02 . 1 . . . . 45 VAL HA . 16364 1 245 . 1 1 22 22 VAL HB H 1 2.05 0.02 . 1 . . . . 45 VAL HB . 16364 1 246 . 1 1 22 22 VAL HG11 H 1 0.87 0.02 . 2 . . . . 45 VAL HG1 . 16364 1 247 . 1 1 22 22 VAL HG12 H 1 0.87 0.02 . 2 . . . . 45 VAL HG1 . 16364 1 248 . 1 1 22 22 VAL HG13 H 1 0.87 0.02 . 2 . . . . 45 VAL HG1 . 16364 1 249 . 1 1 22 22 VAL HG21 H 1 0.88 0.02 . 2 . . . . 45 VAL HG2 . 16364 1 250 . 1 1 22 22 VAL HG22 H 1 0.88 0.02 . 2 . . . . 45 VAL HG2 . 16364 1 251 . 1 1 22 22 VAL HG23 H 1 0.88 0.02 . 2 . . . . 45 VAL HG2 . 16364 1 252 . 1 1 22 22 VAL C C 13 176.1 0.2 . 1 . . . . 45 VAL C . 16364 1 253 . 1 1 22 22 VAL CA C 13 62.3 0.2 . 1 . . . . 45 VAL CA . 16364 1 254 . 1 1 22 22 VAL CB C 13 32.7 0.2 . 1 . . . . 45 VAL CB . 16364 1 255 . 1 1 22 22 VAL CG1 C 13 21.3 0.2 . 2 . . . . 45 VAL CG1 . 16364 1 256 . 1 1 22 22 VAL CG2 C 13 20.6 0.2 . 2 . . . . 45 VAL CG2 . 16364 1 257 . 1 1 22 22 VAL N N 15 118.1 0.2 . 1 . . . . 45 VAL N . 16364 1 258 . 1 1 23 23 SER H H 1 8.37 0.02 . 1 . . . . 46 SER H . 16364 1 259 . 1 1 23 23 SER HA H 1 4.41 0.02 . 1 . . . . 46 SER HA . 16364 1 260 . 1 1 23 23 SER HB2 H 1 3.83 0.02 . 2 . . . . 46 SER HB2 . 16364 1 261 . 1 1 23 23 SER HB3 H 1 3.83 0.02 . 2 . . . . 46 SER HB3 . 16364 1 262 . 1 1 23 23 SER C C 13 174.9 0.2 . 1 . . . . 46 SER C . 16364 1 263 . 1 1 23 23 SER CA C 13 58.5 0.2 . 1 . . . . 46 SER CA . 16364 1 264 . 1 1 23 23 SER CB C 13 63.9 0.2 . 1 . . . . 46 SER CB . 16364 1 265 . 1 1 23 23 SER N N 15 119.1 0.2 . 1 . . . . 46 SER N . 16364 1 266 . 1 1 24 24 GLY H H 1 8.37 0.02 . 1 . . . . 47 GLY H . 16364 1 267 . 1 1 24 24 GLY HA2 H 1 3.95 0.02 . 2 . . . . 47 GLY HA2 . 16364 1 268 . 1 1 24 24 GLY HA3 H 1 3.95 0.02 . 2 . . . . 47 GLY HA3 . 16364 1 269 . 1 1 24 24 GLY C C 13 174.2 0.2 . 1 . . . . 47 GLY C . 16364 1 270 . 1 1 24 24 GLY CA C 13 45.4 0.2 . 1 . . . . 47 GLY CA . 16364 1 271 . 1 1 24 24 GLY N N 15 110.5 0.2 . 1 . . . . 47 GLY N . 16364 1 272 . 1 1 25 25 VAL H H 1 7.98 0.02 . 1 . . . . 48 VAL H . 16364 1 273 . 1 1 25 25 VAL HA H 1 4.04 0.02 . 1 . . . . 48 VAL HA . 16364 1 274 . 1 1 25 25 VAL HB H 1 1.99 0.02 . 1 . . . . 48 VAL HB . 16364 1 275 . 1 1 25 25 VAL HG11 H 1 0.79 0.02 . 2 . . . . 48 VAL HG1 . 16364 1 276 . 1 1 25 25 VAL HG12 H 1 0.79 0.02 . 2 . . . . 48 VAL HG1 . 16364 1 277 . 1 1 25 25 VAL HG13 H 1 0.79 0.02 . 2 . . . . 48 VAL HG1 . 16364 1 278 . 1 1 25 25 VAL HG21 H 1 0.79 0.02 . 2 . . . . 48 VAL HG2 . 16364 1 279 . 1 1 25 25 VAL HG22 H 1 0.79 0.02 . 2 . . . . 48 VAL HG2 . 16364 1 280 . 1 1 25 25 VAL HG23 H 1 0.79 0.02 . 2 . . . . 48 VAL HG2 . 16364 1 281 . 1 1 25 25 VAL C C 13 176.1 0.2 . 1 . . . . 48 VAL C . 16364 1 282 . 1 1 25 25 VAL CA C 13 62.2 0.2 . 1 . . . . 48 VAL CA . 16364 1 283 . 1 1 25 25 VAL CB C 13 32.5 0.2 . 1 . . . . 48 VAL CB . 16364 1 284 . 1 1 25 25 VAL CG1 C 13 21.4 0.2 . 2 . . . . 48 VAL CG1 . 16364 1 285 . 1 1 25 25 VAL CG2 C 13 20.7 0.2 . 2 . . . . 48 VAL CG2 . 16364 1 286 . 1 1 25 25 VAL N N 15 118.1 0.2 . 1 . . . . 48 VAL N . 16364 1 287 . 1 1 26 26 GLU H H 1 8.58 0.02 . 1 . . . . 49 GLU H . 16364 1 288 . 1 1 26 26 GLU HA H 1 4.16 0.02 . 1 . . . . 49 GLU HA . 16364 1 289 . 1 1 26 26 GLU HB2 H 1 1.93 0.02 . 2 . . . . 49 GLU HB2 . 16364 1 290 . 1 1 26 26 GLU HB3 H 1 1.93 0.02 . 2 . . . . 49 GLU HB3 . 16364 1 291 . 1 1 26 26 GLU HG2 H 1 2.23 0.02 . 2 . . . . 49 GLU HG2 . 16364 1 292 . 1 1 26 26 GLU HG3 H 1 2.23 0.02 . 2 . . . . 49 GLU HG3 . 16364 1 293 . 1 1 26 26 GLU C C 13 176.9 0.2 . 1 . . . . 49 GLU C . 16364 1 294 . 1 1 26 26 GLU CA C 13 57.4 0.2 . 1 . . . . 49 GLU CA . 16364 1 295 . 1 1 26 26 GLU CB C 13 29.8 0.2 . 1 . . . . 49 GLU CB . 16364 1 296 . 1 1 26 26 GLU CG C 13 36 0.2 . 1 . . . . 49 GLU CG . 16364 1 297 . 1 1 26 26 GLU N N 15 123.9 0.2 . 1 . . . . 49 GLU N . 16364 1 298 . 1 1 27 27 GLY H H 1 8.33 0.02 . 1 . . . . 50 GLY H . 16364 1 299 . 1 1 27 27 GLY HA2 H 1 3.89 0.02 . 2 . . . . 50 GLY HA2 . 16364 1 300 . 1 1 27 27 GLY HA3 H 1 3.83 0.02 . 2 . . . . 50 GLY HA3 . 16364 1 301 . 1 1 27 27 GLY C C 13 173.8 0.2 . 1 . . . . 50 GLY C . 16364 1 302 . 1 1 27 27 GLY CA C 13 45.2 0.2 . 1 . . . . 50 GLY CA . 16364 1 303 . 1 1 27 27 GLY N N 15 109.5 0.2 . 1 . . . . 50 GLY N . 16364 1 304 . 1 1 28 28 LEU H H 1 7.77 0.02 . 1 . . . . 51 LEU H . 16364 1 305 . 1 1 28 28 LEU HA H 1 4.47 0.02 . 1 . . . . 51 LEU HA . 16364 1 306 . 1 1 28 28 LEU HB2 H 1 1.44 0.02 . 2 . . . . 51 LEU HB2 . 16364 1 307 . 1 1 28 28 LEU HB3 H 1 1.44 0.02 . 2 . . . . 51 LEU HB3 . 16364 1 308 . 1 1 28 28 LEU HD11 H 1 0.64 0.02 . 2 . . . . 51 LEU HD1 . 16364 1 309 . 1 1 28 28 LEU HD12 H 1 0.64 0.02 . 2 . . . . 51 LEU HD1 . 16364 1 310 . 1 1 28 28 LEU HD13 H 1 0.64 0.02 . 2 . . . . 51 LEU HD1 . 16364 1 311 . 1 1 28 28 LEU HD21 H 1 0.8 0.02 . 2 . . . . 51 LEU HD2 . 16364 1 312 . 1 1 28 28 LEU HD22 H 1 0.8 0.02 . 2 . . . . 51 LEU HD2 . 16364 1 313 . 1 1 28 28 LEU HD23 H 1 0.8 0.02 . 2 . . . . 51 LEU HD2 . 16364 1 314 . 1 1 28 28 LEU HG H 1 1.52 0.02 . 1 . . . . 51 LEU HG . 16364 1 315 . 1 1 28 28 LEU CA C 13 52.8 0.2 . 1 . . . . 51 LEU CA . 16364 1 316 . 1 1 28 28 LEU CB C 13 42.2 0.2 . 1 . . . . 51 LEU CB . 16364 1 317 . 1 1 28 28 LEU CD1 C 13 25.3 0.2 . 2 . . . . 51 LEU CD1 . 16364 1 318 . 1 1 28 28 LEU CD2 C 13 23.5 0.2 . 2 . . . . 51 LEU CD2 . 16364 1 319 . 1 1 28 28 LEU CG C 13 26.9 0.2 . 1 . . . . 51 LEU CG . 16364 1 320 . 1 1 28 28 LEU N N 15 123.0 0.2 . 1 . . . . 51 LEU N . 16364 1 321 . 1 1 29 29 PRO HA H 1 4.66 0.02 . 1 . . . . 52 PRO HA . 16364 1 322 . 1 1 29 29 PRO HB2 H 1 2.33 0.02 . 2 . . . . 52 PRO HB2 . 16364 1 323 . 1 1 29 29 PRO HB3 H 1 1.84 0.02 . 2 . . . . 52 PRO HB3 . 16364 1 324 . 1 1 29 29 PRO HD2 H 1 3.92 0.02 . 2 . . . . 52 PRO HD2 . 16364 1 325 . 1 1 29 29 PRO HD3 H 1 3.42 0.02 . 2 . . . . 52 PRO HD3 . 16364 1 326 . 1 1 29 29 PRO HG2 H 1 1.96 0.02 . 2 . . . . 52 PRO HG2 . 16364 1 327 . 1 1 29 29 PRO HG3 H 1 1.96 0.02 . 2 . . . . 52 PRO HG3 . 16364 1 328 . 1 1 29 29 PRO CA C 13 61.6 0.2 . 1 . . . . 52 PRO CA . 16364 1 329 . 1 1 29 29 PRO CB C 13 30.8 0.2 . 1 . . . . 52 PRO CB . 16364 1 330 . 1 1 29 29 PRO CD C 13 50.7 0.2 . 1 . . . . 52 PRO CD . 16364 1 331 . 1 1 29 29 PRO CG C 13 27.4 0.2 . 1 . . . . 52 PRO CG . 16364 1 332 . 1 1 30 30 PRO HA H 1 4.34 0.02 . 1 . . . . 53 PRO HA . 16364 1 333 . 1 1 30 30 PRO HB2 H 1 2.24 0.02 . 2 . . . . 53 PRO HB2 . 16364 1 334 . 1 1 30 30 PRO HB3 H 1 1.85 0.02 . 2 . . . . 53 PRO HB3 . 16364 1 335 . 1 1 30 30 PRO HD2 H 1 3.77 0.02 . 2 . . . . 53 PRO HD2 . 16364 1 336 . 1 1 30 30 PRO HD3 H 1 3.58 0.02 . 2 . . . . 53 PRO HD3 . 16364 1 337 . 1 1 30 30 PRO HG2 H 1 2.05 0.02 . 2 . . . . 53 PRO HG2 . 16364 1 338 . 1 1 30 30 PRO HG3 H 1 1.97 0.02 . 2 . . . . 53 PRO HG3 . 16364 1 339 . 1 1 30 30 PRO C C 13 177.5 0.2 . 1 . . . . 53 PRO C . 16364 1 340 . 1 1 30 30 PRO CA C 13 63.5 0.2 . 1 . . . . 53 PRO CA . 16364 1 341 . 1 1 30 30 PRO CB C 13 32 0.2 . 1 . . . . 53 PRO CB . 16364 1 342 . 1 1 30 30 PRO CD C 13 50.4 0.2 . 1 . . . . 53 PRO CD . 16364 1 343 . 1 1 30 30 PRO CG C 13 27.6 0.2 . 1 . . . . 53 PRO CG . 16364 1 344 . 1 1 31 31 GLY H H 1 8.69 0.02 . 1 . . . . 54 GLY H . 16364 1 345 . 1 1 31 31 GLY HA2 H 1 4.06 0.02 . 2 . . . . 54 GLY HA2 . 16364 1 346 . 1 1 31 31 GLY HA3 H 1 3.66 0.02 . 2 . . . . 54 GLY HA3 . 16364 1 347 . 1 1 31 31 GLY C C 13 172.9 0.2 . 1 . . . . 54 GLY C . 16364 1 348 . 1 1 31 31 GLY CA C 13 45.4 0.2 . 1 . . . . 54 GLY CA . 16364 1 349 . 1 1 31 31 GLY N N 15 110.1 0.2 . 1 . . . . 54 GLY N . 16364 1 350 . 1 1 32 32 LEU H H 1 7.51 0.02 . 1 . . . . 55 LEU H . 16364 1 351 . 1 1 32 32 LEU HA H 1 4.96 0.02 . 1 . . . . 55 LEU HA . 16364 1 352 . 1 1 32 32 LEU HB2 H 1 1.58 0.02 . 2 . . . . 55 LEU HB2 . 16364 1 353 . 1 1 32 32 LEU HB3 H 1 1.50 0.02 . 2 . . . . 55 LEU HB3 . 16364 1 354 . 1 1 32 32 LEU HD11 H 1 0.87 0.02 . 2 . . . . 55 LEU HD1 . 16364 1 355 . 1 1 32 32 LEU HD12 H 1 0.87 0.02 . 2 . . . . 55 LEU HD1 . 16364 1 356 . 1 1 32 32 LEU HD13 H 1 0.87 0.02 . 2 . . . . 55 LEU HD1 . 16364 1 357 . 1 1 32 32 LEU HD21 H 1 0.9 0.02 . 2 . . . . 55 LEU HD2 . 16364 1 358 . 1 1 32 32 LEU HD22 H 1 0.9 0.02 . 2 . . . . 55 LEU HD2 . 16364 1 359 . 1 1 32 32 LEU HD23 H 1 0.9 0.02 . 2 . . . . 55 LEU HD2 . 16364 1 360 . 1 1 32 32 LEU HG H 1 1.59 0.02 . 1 . . . . 55 LEU HG . 16364 1 361 . 1 1 32 32 LEU C C 13 175.4 0.2 . 1 . . . . 55 LEU C . 16364 1 362 . 1 1 32 32 LEU CA C 13 54.1 0.2 . 1 . . . . 55 LEU CA . 16364 1 363 . 1 1 32 32 LEU CB C 13 44.4 0.2 . 1 . . . . 55 LEU CB . 16364 1 364 . 1 1 32 32 LEU CD1 C 13 25 0.2 . 2 . . . . 55 LEU CD1 . 16364 1 365 . 1 1 32 32 LEU CD2 C 13 24.4 0.2 . 2 . . . . 55 LEU CD2 . 16364 1 366 . 1 1 32 32 LEU CG C 13 27.7 0.2 . 1 . . . . 55 LEU CG . 16364 1 367 . 1 1 32 32 LEU N N 15 119.3 0.2 . 1 . . . . 55 LEU N . 16364 1 368 . 1 1 33 33 ALA H H 1 7.84 0.02 . 1 . . . . 56 ALA H . 16364 1 369 . 1 1 33 33 ALA HA H 1 4.50 0.02 . 1 . . . . 56 ALA HA . 16364 1 370 . 1 1 33 33 ALA HB1 H 1 1.5 0.02 . 1 . . . . 56 ALA HB . 16364 1 371 . 1 1 33 33 ALA HB2 H 1 1.5 0.02 . 1 . . . . 56 ALA HB . 16364 1 372 . 1 1 33 33 ALA HB3 H 1 1.5 0.02 . 1 . . . . 56 ALA HB . 16364 1 373 . 1 1 33 33 ALA C C 13 178.2 0.2 . 1 . . . . 56 ALA C . 16364 1 374 . 1 1 33 33 ALA CA C 13 51.1 0.2 . 1 . . . . 56 ALA CA . 16364 1 375 . 1 1 33 33 ALA CB C 13 23.9 0.2 . 1 . . . . 56 ALA CB . 16364 1 376 . 1 1 33 33 ALA N N 15 121.8 0.2 . 1 . . . . 56 ALA N . 16364 1 377 . 1 1 34 34 LEU H H 1 8.64 0.02 . 1 . . . . 57 LEU H . 16364 1 378 . 1 1 34 34 LEU HA H 1 4.93 0.02 . 1 . . . . 57 LEU HA . 16364 1 379 . 1 1 34 34 LEU HB2 H 1 1.36 0.02 . 2 . . . . 57 LEU HB2 . 16364 1 380 . 1 1 34 34 LEU HB3 H 1 1.22 0.02 . 2 . . . . 57 LEU HB3 . 16364 1 381 . 1 1 34 34 LEU HD11 H 1 0.53 0.02 . 2 . . . . 57 LEU HD1 . 16364 1 382 . 1 1 34 34 LEU HD12 H 1 0.53 0.02 . 2 . . . . 57 LEU HD1 . 16364 1 383 . 1 1 34 34 LEU HD13 H 1 0.53 0.02 . 2 . . . . 57 LEU HD1 . 16364 1 384 . 1 1 34 34 LEU HD21 H 1 0.63 0.02 . 2 . . . . 57 LEU HD2 . 16364 1 385 . 1 1 34 34 LEU HD22 H 1 0.63 0.02 . 2 . . . . 57 LEU HD2 . 16364 1 386 . 1 1 34 34 LEU HD23 H 1 0.63 0.02 . 2 . . . . 57 LEU HD2 . 16364 1 387 . 1 1 34 34 LEU HG H 1 1.33 0.02 . 1 . . . . 57 LEU HG . 16364 1 388 . 1 1 34 34 LEU C C 13 174.4 0.2 . 1 . . . . 57 LEU C . 16364 1 389 . 1 1 34 34 LEU CA C 13 53.4 0.2 . 1 . . . . 57 LEU CA . 16364 1 390 . 1 1 34 34 LEU CB C 13 47.3 0.2 . 1 . . . . 57 LEU CB . 16364 1 391 . 1 1 34 34 LEU CD1 C 13 25.6 0.2 . 2 . . . . 57 LEU CD1 . 16364 1 392 . 1 1 34 34 LEU CD2 C 13 25.7 0.2 . 2 . . . . 57 LEU CD2 . 16364 1 393 . 1 1 34 34 LEU CG C 13 26.5 0.2 . 1 . . . . 57 LEU CG . 16364 1 394 . 1 1 34 34 LEU N N 15 119.2 0.2 . 1 . . . . 57 LEU N . 16364 1 395 . 1 1 35 35 LEU H H 1 8.64 0.02 . 1 . . . . 58 LEU H . 16364 1 396 . 1 1 35 35 LEU HA H 1 5.44 0.02 . 1 . . . . 58 LEU HA . 16364 1 397 . 1 1 35 35 LEU HB2 H 1 1.61 0.02 . 2 . . . . 58 LEU HB2 . 16364 1 398 . 1 1 35 35 LEU HB3 H 1 1.16 0.02 . 2 . . . . 58 LEU HB3 . 16364 1 399 . 1 1 35 35 LEU HD11 H 1 -0.12 0.02 . 2 . . . . 58 LEU HD1 . 16364 1 400 . 1 1 35 35 LEU HD12 H 1 -0.12 0.02 . 2 . . . . 58 LEU HD1 . 16364 1 401 . 1 1 35 35 LEU HD13 H 1 -0.12 0.02 . 2 . . . . 58 LEU HD1 . 16364 1 402 . 1 1 35 35 LEU HD21 H 1 0.65 0.02 . 2 . . . . 58 LEU HD2 . 16364 1 403 . 1 1 35 35 LEU HD22 H 1 0.65 0.02 . 2 . . . . 58 LEU HD2 . 16364 1 404 . 1 1 35 35 LEU HD23 H 1 0.65 0.02 . 2 . . . . 58 LEU HD2 . 16364 1 405 . 1 1 35 35 LEU HG H 1 1.25 0.02 . 1 . . . . 58 LEU HG . 16364 1 406 . 1 1 35 35 LEU C C 13 176.2 0.2 . 1 . . . . 58 LEU C . 16364 1 407 . 1 1 35 35 LEU CA C 13 52.6 0.2 . 1 . . . . 58 LEU CA . 16364 1 408 . 1 1 35 35 LEU CB C 13 46 0.2 . 1 . . . . 58 LEU CB . 16364 1 409 . 1 1 35 35 LEU CD1 C 13 26.4 0.2 . 2 . . . . 58 LEU CD1 . 16364 1 410 . 1 1 35 35 LEU CD2 C 13 24.2 0.2 . 2 . . . . 58 LEU CD2 . 16364 1 411 . 1 1 35 35 LEU CG C 13 26.4 0.2 . 1 . . . . 58 LEU CG . 16364 1 412 . 1 1 35 35 LEU N N 15 119.4 0.2 . 1 . . . . 58 LEU N . 16364 1 413 . 1 1 36 36 VAL H H 1 8.96 0.02 . 1 . . . . 59 VAL H . 16364 1 414 . 1 1 36 36 VAL HA H 1 4.86 0.02 . 1 . . . . 59 VAL HA . 16364 1 415 . 1 1 36 36 VAL HB H 1 1.81 0.02 . 1 . . . . 59 VAL HB . 16364 1 416 . 1 1 36 36 VAL HG11 H 1 0.76 0.02 . 2 . . . . 59 VAL HG1 . 16364 1 417 . 1 1 36 36 VAL HG12 H 1 0.76 0.02 . 2 . . . . 59 VAL HG1 . 16364 1 418 . 1 1 36 36 VAL HG13 H 1 0.76 0.02 . 2 . . . . 59 VAL HG1 . 16364 1 419 . 1 1 36 36 VAL HG21 H 1 0.76 0.02 . 2 . . . . 59 VAL HG2 . 16364 1 420 . 1 1 36 36 VAL HG22 H 1 0.76 0.02 . 2 . . . . 59 VAL HG2 . 16364 1 421 . 1 1 36 36 VAL HG23 H 1 0.76 0.02 . 2 . . . . 59 VAL HG2 . 16364 1 422 . 1 1 36 36 VAL C C 13 176.4 0.2 . 1 . . . . 59 VAL C . 16364 1 423 . 1 1 36 36 VAL CA C 13 59.9 0.2 . 1 . . . . 59 VAL CA . 16364 1 424 . 1 1 36 36 VAL CB C 13 34.6 0.2 . 1 . . . . 59 VAL CB . 16364 1 425 . 1 1 36 36 VAL CG1 C 13 20.9 0.2 . 2 . . . . 59 VAL CG1 . 16364 1 426 . 1 1 36 36 VAL CG2 C 13 21.6 0.2 . 2 . . . . 59 VAL CG2 . 16364 1 427 . 1 1 36 36 VAL N N 15 120.7 0.2 . 1 . . . . 59 VAL N . 16364 1 428 . 1 1 37 37 VAL H H 1 8.83 0.02 . 1 . . . . 60 VAL H . 16364 1 429 . 1 1 37 37 VAL HA H 1 4.17 0.02 . 1 . . . . 60 VAL HA . 16364 1 430 . 1 1 37 37 VAL HB H 1 2.16 0.02 . 1 . . . . 60 VAL HB . 16364 1 431 . 1 1 37 37 VAL HG11 H 1 0.98 0.02 . 2 . . . . 60 VAL HG1 . 16364 1 432 . 1 1 37 37 VAL HG12 H 1 0.98 0.02 . 2 . . . . 60 VAL HG1 . 16364 1 433 . 1 1 37 37 VAL HG13 H 1 0.98 0.02 . 2 . . . . 60 VAL HG1 . 16364 1 434 . 1 1 37 37 VAL HG21 H 1 0.96 0.02 . 2 . . . . 60 VAL HG2 . 16364 1 435 . 1 1 37 37 VAL HG22 H 1 0.96 0.02 . 2 . . . . 60 VAL HG2 . 16364 1 436 . 1 1 37 37 VAL HG23 H 1 0.96 0.02 . 2 . . . . 60 VAL HG2 . 16364 1 437 . 1 1 37 37 VAL C C 13 176 0.2 . 1 . . . . 60 VAL C . 16364 1 438 . 1 1 37 37 VAL CA C 13 63.9 0.2 . 1 . . . . 60 VAL CA . 16364 1 439 . 1 1 37 37 VAL CB C 13 31.4 0.2 . 1 . . . . 60 VAL CB . 16364 1 440 . 1 1 37 37 VAL CG1 C 13 21.6 0.2 . 2 . . . . 60 VAL CG1 . 16364 1 441 . 1 1 37 37 VAL CG2 C 13 21.1 0.2 . 2 . . . . 60 VAL CG2 . 16364 1 442 . 1 1 37 37 VAL N N 15 125.7 0.2 . 1 . . . . 60 VAL N . 16364 1 443 . 1 1 38 38 LYS H H 1 9.4 0.02 . 1 . . . . 61 LYS H . 16364 1 444 . 1 1 38 38 LYS HA H 1 4.45 0.02 . 1 . . . . 61 LYS HA . 16364 1 445 . 1 1 38 38 LYS HB2 H 1 1.71 0.02 . 2 . . . . 61 LYS HB2 . 16364 1 446 . 1 1 38 38 LYS HB3 H 1 1.71 0.02 . 2 . . . . 61 LYS HB3 . 16364 1 447 . 1 1 38 38 LYS HD2 H 1 1.6 0.02 . 2 . . . . 61 LYS HD2 . 16364 1 448 . 1 1 38 38 LYS HD3 H 1 1.6 0.02 . 2 . . . . 61 LYS HD3 . 16364 1 449 . 1 1 38 38 LYS HE2 H 1 2.89 0.02 . 2 . . . . 61 LYS HE2 . 16364 1 450 . 1 1 38 38 LYS HE3 H 1 2.89 0.02 . 2 . . . . 61 LYS HE3 . 16364 1 451 . 1 1 38 38 LYS HG2 H 1 1.51 0.02 . 2 . . . . 61 LYS HG2 . 16364 1 452 . 1 1 38 38 LYS HG3 H 1 1.36 0.02 . 2 . . . . 61 LYS HG3 . 16364 1 453 . 1 1 38 38 LYS C C 13 176 0.2 . 1 . . . . 61 LYS C . 16364 1 454 . 1 1 38 38 LYS CA C 13 56.9 0.2 . 1 . . . . 61 LYS CA . 16364 1 455 . 1 1 38 38 LYS CB C 13 34.2 0.2 . 1 . . . . 61 LYS CB . 16364 1 456 . 1 1 38 38 LYS CD C 13 29.0 0.2 . 1 . . . . 61 LYS CD . 16364 1 457 . 1 1 38 38 LYS CE C 13 41.4 0.2 . 1 . . . . 61 LYS CE . 16364 1 458 . 1 1 38 38 LYS CG C 13 24.9 0.2 . 1 . . . . 61 LYS CG . 16364 1 459 . 1 1 38 38 LYS N N 15 131.9 0.2 . 1 . . . . 61 LYS N . 16364 1 460 . 1 1 39 39 ARG H H 1 7.99 0.02 . 1 . . . . 62 ARG H . 16364 1 461 . 1 1 39 39 ARG HA H 1 4.7 0.02 . 1 . . . . 62 ARG HA . 16364 1 462 . 1 1 39 39 ARG HB2 H 1 1.81 0.02 . 2 . . . . 62 ARG HB2 . 16364 1 463 . 1 1 39 39 ARG HB3 H 1 1.72 0.02 . 2 . . . . 62 ARG HB3 . 16364 1 464 . 1 1 39 39 ARG HD2 H 1 3.2 0.02 . 2 . . . . 62 ARG HD2 . 16364 1 465 . 1 1 39 39 ARG HD3 H 1 3.12 0.02 . 2 . . . . 62 ARG HD3 . 16364 1 466 . 1 1 39 39 ARG HE H 1 7.4 0.02 . 1 . . . . 62 ARG HE . 16364 1 467 . 1 1 39 39 ARG HG2 H 1 1.64 0.02 . 2 . . . . 62 ARG HG2 . 16364 1 468 . 1 1 39 39 ARG HG3 H 1 1.54 0.02 . 2 . . . . 62 ARG HG3 . 16364 1 469 . 1 1 39 39 ARG C C 13 173.6 0.2 . 1 . . . . 62 ARG C . 16364 1 470 . 1 1 39 39 ARG CA C 13 55.1 0.2 . 1 . . . . 62 ARG CA . 16364 1 471 . 1 1 39 39 ARG CB C 13 34.1 0.2 . 1 . . . . 62 ARG CB . 16364 1 472 . 1 1 39 39 ARG CD C 13 43.4 0.2 . 1 . . . . 62 ARG CD . 16364 1 473 . 1 1 39 39 ARG CG C 13 27 0.2 . 1 . . . . 62 ARG CG . 16364 1 474 . 1 1 39 39 ARG N N 15 117.3 0.2 . 1 . . . . 62 ARG N . 16364 1 475 . 1 1 39 39 ARG NE N 15 84.7 0.2 . 1 . . . . 62 ARG NE . 16364 1 476 . 1 1 40 40 GLY H H 1 8.48 0.02 . 1 . . . . 63 GLY H . 16364 1 477 . 1 1 40 40 GLY HA2 H 1 4.29 0.02 . 2 . . . . 63 GLY HA2 . 16364 1 478 . 1 1 40 40 GLY HA3 H 1 3.58 0.02 . 2 . . . . 63 GLY HA3 . 16364 1 479 . 1 1 40 40 GLY CA C 13 43.8 0.2 . 1 . . . . 63 GLY CA . 16364 1 480 . 1 1 40 40 GLY N N 15 110.8 0.2 . 1 . . . . 63 GLY N . 16364 1 481 . 1 1 41 41 PRO HA H 1 4.3 0.02 . 1 . . . . 64 PRO HA . 16364 1 482 . 1 1 41 41 PRO HB2 H 1 2.30 0.02 . 2 . . . . 64 PRO HB2 . 16364 1 483 . 1 1 41 41 PRO HB3 H 1 1.95 0.02 . 2 . . . . 64 PRO HB3 . 16364 1 484 . 1 1 41 41 PRO HD2 H 1 3.10 0.02 . 2 . . . . 64 PRO HD2 . 16364 1 485 . 1 1 41 41 PRO HD3 H 1 2.84 0.02 . 2 . . . . 64 PRO HD3 . 16364 1 486 . 1 1 41 41 PRO HG2 H 1 1.88 0.02 . 2 . . . . 64 PRO HG2 . 16364 1 487 . 1 1 41 41 PRO HG3 H 1 1.44 0.02 . 2 . . . . 64 PRO HG3 . 16364 1 488 . 1 1 41 41 PRO C C 13 175.9 0.2 . 1 . . . . 64 PRO C . 16364 1 489 . 1 1 41 41 PRO CA C 13 64.4 0.2 . 1 . . . . 64 PRO CA . 16364 1 490 . 1 1 41 41 PRO CB C 13 31.5 0.2 . 1 . . . . 64 PRO CB . 16364 1 491 . 1 1 41 41 PRO CD C 13 48.8 0.2 . 1 . . . . 64 PRO CD . 16364 1 492 . 1 1 41 41 PRO CG C 13 27.3 0.2 . 1 . . . . 64 PRO CG . 16364 1 493 . 1 1 42 42 ASN H H 1 8.31 0.02 . 1 . . . . 65 ASN H . 16364 1 494 . 1 1 42 42 ASN HA H 1 4.77 0.02 . 1 . . . . 65 ASN HA . 16364 1 495 . 1 1 42 42 ASN HB2 H 1 3.14 0.02 . 2 . . . . 65 ASN HB2 . 16364 1 496 . 1 1 42 42 ASN HB3 H 1 2.86 0.02 . 2 . . . . 65 ASN HB3 . 16364 1 497 . 1 1 42 42 ASN HD21 H 1 7.82 0.02 . 2 . . . . 65 ASN HD21 . 16364 1 498 . 1 1 42 42 ASN HD22 H 1 5.76 0.02 . 2 . . . . 65 ASN HD22 . 16364 1 499 . 1 1 42 42 ASN C C 13 177.5 0.2 . 1 . . . . 65 ASN C . 16364 1 500 . 1 1 42 42 ASN CA C 13 52.1 0.2 . 1 . . . . 65 ASN CA . 16364 1 501 . 1 1 42 42 ASN CB C 13 36.7 0.2 . 1 . . . . 65 ASN CB . 16364 1 502 . 1 1 42 42 ASN CG C 13 179.5 0.2 . 1 . . . . 65 ASN CG . 16364 1 503 . 1 1 42 42 ASN N N 15 114.5 0.2 . 1 . . . . 65 ASN N . 16364 1 504 . 1 1 42 42 ASN ND2 N 15 106.4 0.2 . 1 . . . . 65 ASN ND2 . 16364 1 505 . 1 1 43 43 ALA H H 1 7.47 0.02 . 1 . . . . 66 ALA H . 16364 1 506 . 1 1 43 43 ALA HA H 1 3.69 0.02 . 1 . . . . 66 ALA HA . 16364 1 507 . 1 1 43 43 ALA HB1 H 1 1.35 0.02 . 1 . . . . 66 ALA HB . 16364 1 508 . 1 1 43 43 ALA HB2 H 1 1.35 0.02 . 1 . . . . 66 ALA HB . 16364 1 509 . 1 1 43 43 ALA HB3 H 1 1.35 0.02 . 1 . . . . 66 ALA HB . 16364 1 510 . 1 1 43 43 ALA C C 13 177.8 0.2 . 1 . . . . 66 ALA C . 16364 1 511 . 1 1 43 43 ALA CA C 13 54.2 0.2 . 1 . . . . 66 ALA CA . 16364 1 512 . 1 1 43 43 ALA CB C 13 17.7 0.2 . 1 . . . . 66 ALA CB . 16364 1 513 . 1 1 43 43 ALA N N 15 122.1 0.2 . 1 . . . . 66 ALA N . 16364 1 514 . 1 1 44 44 GLY H H 1 9.12 0.02 . 1 . . . . 67 GLY H . 16364 1 515 . 1 1 44 44 GLY HA2 H 1 4.44 0.02 . 2 . . . . 67 GLY HA2 . 16364 1 516 . 1 1 44 44 GLY HA3 H 1 3.49 0.02 . 2 . . . . 67 GLY HA3 . 16364 1 517 . 1 1 44 44 GLY C C 13 174.9 0.2 . 1 . . . . 67 GLY C . 16364 1 518 . 1 1 44 44 GLY CA C 13 44.6 0.2 . 1 . . . . 67 GLY CA . 16364 1 519 . 1 1 44 44 GLY N N 15 111.8 0.2 . 1 . . . . 67 GLY N . 16364 1 520 . 1 1 45 45 SER H H 1 8.09 0.02 . 1 . . . . 68 SER H . 16364 1 521 . 1 1 45 45 SER HA H 1 4.28 0.02 . 1 . . . . 68 SER HA . 16364 1 522 . 1 1 45 45 SER HB2 H 1 3.76 0.02 . 2 . . . . 68 SER HB2 . 16364 1 523 . 1 1 45 45 SER HB3 H 1 3.58 0.02 . 2 . . . . 68 SER HB3 . 16364 1 524 . 1 1 45 45 SER C C 13 171.5 0.2 . 1 . . . . 68 SER C . 16364 1 525 . 1 1 45 45 SER CA C 13 60.5 0.2 . 1 . . . . 68 SER CA . 16364 1 526 . 1 1 45 45 SER CB C 13 63.8 0.2 . 1 . . . . 68 SER CB . 16364 1 527 . 1 1 45 45 SER N N 15 117.4 0.2 . 1 . . . . 68 SER N . 16364 1 528 . 1 1 46 46 ARG H H 1 8.12 0.02 . 1 . . . . 69 ARG H . 16364 1 529 . 1 1 46 46 ARG HA H 1 5.14 0.02 . 1 . . . . 69 ARG HA . 16364 1 530 . 1 1 46 46 ARG HB2 H 1 1.55 0.02 . 2 . . . . 69 ARG HB2 . 16364 1 531 . 1 1 46 46 ARG HB3 H 1 1.55 0.02 . 2 . . . . 69 ARG HB3 . 16364 1 532 . 1 1 46 46 ARG HD2 H 1 3.08 0.02 . 2 . . . . 69 ARG HD2 . 16364 1 533 . 1 1 46 46 ARG HD3 H 1 3.03 0.02 . 2 . . . . 69 ARG HD3 . 16364 1 534 . 1 1 46 46 ARG HE H 1 7.26 0.02 . 1 . . . . 69 ARG HE . 16364 1 535 . 1 1 46 46 ARG HG2 H 1 1.59 0.02 . 2 . . . . 69 ARG HG2 . 16364 1 536 . 1 1 46 46 ARG HG3 H 1 1.42 0.02 . 2 . . . . 69 ARG HG3 . 16364 1 537 . 1 1 46 46 ARG C C 13 174.6 0.2 . 1 . . . . 69 ARG C . 16364 1 538 . 1 1 46 46 ARG CA C 13 54.2 0.2 . 1 . . . . 69 ARG CA . 16364 1 539 . 1 1 46 46 ARG CB C 13 33.9 0.2 . 1 . . . . 69 ARG CB . 16364 1 540 . 1 1 46 46 ARG CD C 13 43.8 0.2 . 1 . . . . 69 ARG CD . 16364 1 541 . 1 1 46 46 ARG CG C 13 27.1 0.2 . 1 . . . . 69 ARG CG . 16364 1 542 . 1 1 46 46 ARG N N 15 119.8 0.2 . 1 . . . . 69 ARG N . 16364 1 543 . 1 1 46 46 ARG NE N 15 84 0.2 . 1 . . . . 69 ARG NE . 16364 1 544 . 1 1 47 47 PHE H H 1 9.18 0.02 . 1 . . . . 70 PHE H . 16364 1 545 . 1 1 47 47 PHE HA H 1 4.72 0.02 . 1 . . . . 70 PHE HA . 16364 1 546 . 1 1 47 47 PHE HB2 H 1 2.92 0.02 . 2 . . . . 70 PHE HB2 . 16364 1 547 . 1 1 47 47 PHE HB3 H 1 2.53 0.02 . 2 . . . . 70 PHE HB3 . 16364 1 548 . 1 1 47 47 PHE HD1 H 1 7.05 0.02 . 3 . . . . 70 PHE HD1 . 16364 1 549 . 1 1 47 47 PHE HD2 H 1 7.05 0.02 . 3 . . . . 70 PHE HD2 . 16364 1 550 . 1 1 47 47 PHE HE1 H 1 7.13 0.02 . 3 . . . . 70 PHE HE1 . 16364 1 551 . 1 1 47 47 PHE HE2 H 1 7.13 0.02 . 3 . . . . 70 PHE HE2 . 16364 1 552 . 1 1 47 47 PHE HZ H 1 6.87 0.02 . 1 . . . . 70 PHE HZ . 16364 1 553 . 1 1 47 47 PHE C C 13 173.9 0.2 . 1 . . . . 70 PHE C . 16364 1 554 . 1 1 47 47 PHE CA C 13 56.4 0.2 . 1 . . . . 70 PHE CA . 16364 1 555 . 1 1 47 47 PHE CB C 13 41.5 0.2 . 1 . . . . 70 PHE CB . 16364 1 556 . 1 1 47 47 PHE CD1 C 13 132.4 0.2 . 3 . . . . 70 PHE CD1 . 16364 1 557 . 1 1 47 47 PHE CD2 C 13 132.4 0.2 . 3 . . . . 70 PHE CD2 . 16364 1 558 . 1 1 47 47 PHE CE1 C 13 130.9 0.2 . 3 . . . . 70 PHE CE1 . 16364 1 559 . 1 1 47 47 PHE CE2 C 13 130.9 0.2 . 3 . . . . 70 PHE CE2 . 16364 1 560 . 1 1 47 47 PHE CZ C 13 128.7 0.2 . 1 . . . . 70 PHE CZ . 16364 1 561 . 1 1 47 47 PHE N N 15 120.8 0.2 . 1 . . . . 70 PHE N . 16364 1 562 . 1 1 48 48 LEU H H 1 8.72 0.02 . 1 . . . . 71 LEU H . 16364 1 563 . 1 1 48 48 LEU HA H 1 4.45 0.02 . 1 . . . . 71 LEU HA . 16364 1 564 . 1 1 48 48 LEU HB2 H 1 1.64 0.02 . 2 . . . . 71 LEU HB2 . 16364 1 565 . 1 1 48 48 LEU HB3 H 1 1.44 0.02 . 2 . . . . 71 LEU HB3 . 16364 1 566 . 1 1 48 48 LEU HD11 H 1 0.85 0.02 . 2 . . . . 71 LEU HD1 . 16364 1 567 . 1 1 48 48 LEU HD12 H 1 0.85 0.02 . 2 . . . . 71 LEU HD1 . 16364 1 568 . 1 1 48 48 LEU HD13 H 1 0.85 0.02 . 2 . . . . 71 LEU HD1 . 16364 1 569 . 1 1 48 48 LEU HD21 H 1 0.85 0.02 . 2 . . . . 71 LEU HD2 . 16364 1 570 . 1 1 48 48 LEU HD22 H 1 0.85 0.02 . 2 . . . . 71 LEU HD2 . 16364 1 571 . 1 1 48 48 LEU HD23 H 1 0.85 0.02 . 2 . . . . 71 LEU HD2 . 16364 1 572 . 1 1 48 48 LEU HG H 1 1.44 0.02 . 1 . . . . 71 LEU HG . 16364 1 573 . 1 1 48 48 LEU C C 13 176.3 0.2 . 1 . . . . 71 LEU C . 16364 1 574 . 1 1 48 48 LEU CA C 13 54.9 0.2 . 1 . . . . 71 LEU CA . 16364 1 575 . 1 1 48 48 LEU CB C 13 43.2 0.2 . 1 . . . . 71 LEU CB . 16364 1 576 . 1 1 48 48 LEU CD1 C 13 24.2 0.2 . 2 . . . . 71 LEU CD1 . 16364 1 577 . 1 1 48 48 LEU CD2 C 13 25.3 0.2 . 2 . . . . 71 LEU CD2 . 16364 1 578 . 1 1 48 48 LEU CG C 13 27.6 0.2 . 1 . . . . 71 LEU CG . 16364 1 579 . 1 1 48 48 LEU N N 15 125.3 0.2 . 1 . . . . 71 LEU N . 16364 1 580 . 1 1 49 49 LEU H H 1 8.73 0.02 . 1 . . . . 72 LEU H . 16364 1 581 . 1 1 49 49 LEU HA H 1 4.77 0.02 . 1 . . . . 72 LEU HA . 16364 1 582 . 1 1 49 49 LEU HB2 H 1 1.27 0.02 . 2 . . . . 72 LEU HB2 . 16364 1 583 . 1 1 49 49 LEU HB3 H 1 1.27 0.02 . 2 . . . . 72 LEU HB3 . 16364 1 584 . 1 1 49 49 LEU HD11 H 1 0.3 0.02 . 2 . . . . 72 LEU HD1 . 16364 1 585 . 1 1 49 49 LEU HD12 H 1 0.3 0.02 . 2 . . . . 72 LEU HD1 . 16364 1 586 . 1 1 49 49 LEU HD13 H 1 0.3 0.02 . 2 . . . . 72 LEU HD1 . 16364 1 587 . 1 1 49 49 LEU HD21 H 1 0.56 0.02 . 2 . . . . 72 LEU HD2 . 16364 1 588 . 1 1 49 49 LEU HD22 H 1 0.56 0.02 . 2 . . . . 72 LEU HD2 . 16364 1 589 . 1 1 49 49 LEU HD23 H 1 0.56 0.02 . 2 . . . . 72 LEU HD2 . 16364 1 590 . 1 1 49 49 LEU HG H 1 1.22 0.02 . 1 . . . . 72 LEU HG . 16364 1 591 . 1 1 49 49 LEU C C 13 174.8 0.2 . 1 . . . . 72 LEU C . 16364 1 592 . 1 1 49 49 LEU CA C 13 53.2 0.2 . 1 . . . . 72 LEU CA . 16364 1 593 . 1 1 49 49 LEU CB C 13 40.9 0.2 . 1 . . . . 72 LEU CB . 16364 1 594 . 1 1 49 49 LEU CD1 C 13 25 0.2 . 2 . . . . 72 LEU CD1 . 16364 1 595 . 1 1 49 49 LEU CD2 C 13 23.2 0.2 . 2 . . . . 72 LEU CD2 . 16364 1 596 . 1 1 49 49 LEU CG C 13 26.5 0.2 . 1 . . . . 72 LEU CG . 16364 1 597 . 1 1 49 49 LEU N N 15 126.9 0.2 . 1 . . . . 72 LEU N . 16364 1 598 . 1 1 50 50 ASP H H 1 8.35 0.02 . 1 . . . . 73 ASP H . 16364 1 599 . 1 1 50 50 ASP HA H 1 4.79 0.02 . 1 . . . . 73 ASP HA . 16364 1 600 . 1 1 50 50 ASP HB2 H 1 2.89 0.02 . 2 . . . . 73 ASP HB2 . 16364 1 601 . 1 1 50 50 ASP HB3 H 1 2.37 0.02 . 2 . . . . 73 ASP HB3 . 16364 1 602 . 1 1 50 50 ASP C C 13 175.6 0.2 . 1 . . . . 73 ASP C . 16364 1 603 . 1 1 50 50 ASP CA C 13 53 0.2 . 1 . . . . 73 ASP CA . 16364 1 604 . 1 1 50 50 ASP CB C 13 41.4 0.2 . 1 . . . . 73 ASP CB . 16364 1 605 . 1 1 50 50 ASP N N 15 120.4 0.2 . 1 . . . . 73 ASP N . 16364 1 606 . 1 1 51 51 GLN H H 1 7.67 0.02 . 1 . . . . 74 GLN H . 16364 1 607 . 1 1 51 51 GLN HA H 1 4.66 0.02 . 1 . . . . 74 GLN HA . 16364 1 608 . 1 1 51 51 GLN HB2 H 1 2.28 0.02 . 2 . . . . 74 GLN HB2 . 16364 1 609 . 1 1 51 51 GLN HB3 H 1 1.97 0.02 . 2 . . . . 74 GLN HB3 . 16364 1 610 . 1 1 51 51 GLN HE21 H 1 7.76 0.02 . 2 . . . . 74 GLN HE21 . 16364 1 611 . 1 1 51 51 GLN HE22 H 1 6.84 0.02 . 2 . . . . 74 GLN HE22 . 16364 1 612 . 1 1 51 51 GLN HG2 H 1 2.45 0.02 . 2 . . . . 74 GLN HG2 . 16364 1 613 . 1 1 51 51 GLN HG3 H 1 2.4 0.02 . 2 . . . . 74 GLN HG3 . 16364 1 614 . 1 1 51 51 GLN C C 13 175.4 0.2 . 1 . . . . 74 GLN C . 16364 1 615 . 1 1 51 51 GLN CA C 13 53.7 0.2 . 1 . . . . 74 GLN CA . 16364 1 616 . 1 1 51 51 GLN CB C 13 31.3 0.2 . 1 . . . . 74 GLN CB . 16364 1 617 . 1 1 51 51 GLN CD C 13 181.1 0.2 . 1 . . . . 74 GLN CD . 16364 1 618 . 1 1 51 51 GLN CG C 13 33.1 0.2 . 1 . . . . 74 GLN CG . 16364 1 619 . 1 1 51 51 GLN N N 15 116.2 0.2 . 1 . . . . 74 GLN N . 16364 1 620 . 1 1 51 51 GLN NE2 N 15 113.6 0.2 . 1 . . . . 74 GLN NE2 . 16364 1 621 . 1 1 52 52 ALA H H 1 8.72 0.02 . 1 . . . . 75 ALA H . 16364 1 622 . 1 1 52 52 ALA HA H 1 4.17 0.02 . 1 . . . . 75 ALA HA . 16364 1 623 . 1 1 52 52 ALA HB1 H 1 1.54 0.02 . 1 . . . . 75 ALA HB . 16364 1 624 . 1 1 52 52 ALA HB2 H 1 1.54 0.02 . 1 . . . . 75 ALA HB . 16364 1 625 . 1 1 52 52 ALA HB3 H 1 1.54 0.02 . 1 . . . . 75 ALA HB . 16364 1 626 . 1 1 52 52 ALA C C 13 178.3 0.2 . 1 . . . . 75 ALA C . 16364 1 627 . 1 1 52 52 ALA CA C 13 55.7 0.2 . 1 . . . . 75 ALA CA . 16364 1 628 . 1 1 52 52 ALA CB C 13 18.5 0.2 . 1 . . . . 75 ALA CB . 16364 1 629 . 1 1 52 52 ALA N N 15 123.2 0.2 . 1 . . . . 75 ALA N . 16364 1 630 . 1 1 53 53 ILE H H 1 8.03 0.02 . 1 . . . . 76 ILE H . 16364 1 631 . 1 1 53 53 ILE HA H 1 4.65 0.02 . 1 . . . . 76 ILE HA . 16364 1 632 . 1 1 53 53 ILE HB H 1 1.79 0.02 . 1 . . . . 76 ILE HB . 16364 1 633 . 1 1 53 53 ILE HD11 H 1 0.84 0.02 . 1 . . . . 76 ILE HD1 . 16364 1 634 . 1 1 53 53 ILE HD12 H 1 0.84 0.02 . 1 . . . . 76 ILE HD1 . 16364 1 635 . 1 1 53 53 ILE HD13 H 1 0.84 0.02 . 1 . . . . 76 ILE HD1 . 16364 1 636 . 1 1 53 53 ILE HG12 H 1 1.53 0.02 . 2 . . . . 76 ILE HG12 . 16364 1 637 . 1 1 53 53 ILE HG13 H 1 0.99 0.02 . 2 . . . . 76 ILE HG13 . 16364 1 638 . 1 1 53 53 ILE HG21 H 1 0.73 0.02 . 1 . . . . 76 ILE HG2 . 16364 1 639 . 1 1 53 53 ILE HG22 H 1 0.73 0.02 . 1 . . . . 76 ILE HG2 . 16364 1 640 . 1 1 53 53 ILE HG23 H 1 0.73 0.02 . 1 . . . . 76 ILE HG2 . 16364 1 641 . 1 1 53 53 ILE C C 13 175.1 0.2 . 1 . . . . 76 ILE C . 16364 1 642 . 1 1 53 53 ILE CA C 13 61.1 0.2 . 1 . . . . 76 ILE CA . 16364 1 643 . 1 1 53 53 ILE CB C 13 40.5 0.2 . 1 . . . . 76 ILE CB . 16364 1 644 . 1 1 53 53 ILE CD1 C 13 12.9 0.2 . 1 . . . . 76 ILE CD1 . 16364 1 645 . 1 1 53 53 ILE CG1 C 13 27.6 0.2 . 1 . . . . 76 ILE CG1 . 16364 1 646 . 1 1 53 53 ILE CG2 C 13 17.3 0.2 . 1 . . . . 76 ILE CG2 . 16364 1 647 . 1 1 53 53 ILE N N 15 115.4 0.2 . 1 . . . . 76 ILE N . 16364 1 648 . 1 1 54 54 THR H H 1 8.84 0.02 . 1 . . . . 77 THR H . 16364 1 649 . 1 1 54 54 THR HA H 1 4.94 0.02 . 1 . . . . 77 THR HA . 16364 1 650 . 1 1 54 54 THR HB H 1 4.16 0.02 . 1 . . . . 77 THR HB . 16364 1 651 . 1 1 54 54 THR HG21 H 1 1.21 0.02 . 1 . . . . 77 THR HG2 . 16364 1 652 . 1 1 54 54 THR HG22 H 1 1.21 0.02 . 1 . . . . 77 THR HG2 . 16364 1 653 . 1 1 54 54 THR HG23 H 1 1.21 0.02 . 1 . . . . 77 THR HG2 . 16364 1 654 . 1 1 54 54 THR C C 13 174.6 0.2 . 1 . . . . 77 THR C . 16364 1 655 . 1 1 54 54 THR CA C 13 61.4 0.2 . 1 . . . . 77 THR CA . 16364 1 656 . 1 1 54 54 THR CB C 13 70.3 0.2 . 1 . . . . 77 THR CB . 16364 1 657 . 1 1 54 54 THR CG2 C 13 22.3 0.2 . 1 . . . . 77 THR CG2 . 16364 1 658 . 1 1 54 54 THR N N 15 125.3 0.2 . 1 . . . . 77 THR N . 16364 1 659 . 1 1 55 55 SER H H 1 10.69 0.02 . 1 . . . . 78 SER H . 16364 1 660 . 1 1 55 55 SER HA H 1 4.72 0.02 . 1 . . . . 78 SER HA . 16364 1 661 . 1 1 55 55 SER HB2 H 1 4.31 0.02 . 2 . . . . 78 SER HB2 . 16364 1 662 . 1 1 55 55 SER HB3 H 1 4.01 0.02 . 2 . . . . 78 SER HB3 . 16364 1 663 . 1 1 55 55 SER C C 13 172.6 0.2 . 1 . . . . 78 SER C . 16364 1 664 . 1 1 55 55 SER CA C 13 57.8 0.2 . 1 . . . . 78 SER CA . 16364 1 665 . 1 1 55 55 SER CB C 13 65.2 0.2 . 1 . . . . 78 SER CB . 16364 1 666 . 1 1 55 55 SER N N 15 126.3 0.2 . 1 . . . . 78 SER N . 16364 1 667 . 1 1 56 56 ALA H H 1 8.84 0.02 . 1 . . . . 79 ALA H . 16364 1 668 . 1 1 56 56 ALA HA H 1 5.72 0.02 . 1 . . . . 79 ALA HA . 16364 1 669 . 1 1 56 56 ALA HB1 H 1 1.17 0.02 . 1 . . . . 79 ALA HB . 16364 1 670 . 1 1 56 56 ALA HB2 H 1 1.17 0.02 . 1 . . . . 79 ALA HB . 16364 1 671 . 1 1 56 56 ALA HB3 H 1 1.17 0.02 . 1 . . . . 79 ALA HB . 16364 1 672 . 1 1 56 56 ALA C C 13 175.8 0.2 . 1 . . . . 79 ALA C . 16364 1 673 . 1 1 56 56 ALA CA C 13 49.8 0.2 . 1 . . . . 79 ALA CA . 16364 1 674 . 1 1 56 56 ALA CB C 13 21.9 0.2 . 1 . . . . 79 ALA CB . 16364 1 675 . 1 1 56 56 ALA N N 15 123.2 0.2 . 1 . . . . 79 ALA N . 16364 1 676 . 1 1 57 57 GLY H H 1 8.41 0.02 . 1 . . . . 80 GLY H . 16364 1 677 . 1 1 57 57 GLY HA2 H 1 4.40 0.02 . 2 . . . . 80 GLY HA2 . 16364 1 678 . 1 1 57 57 GLY HA3 H 1 3.97 0.02 . 2 . . . . 80 GLY HA3 . 16364 1 679 . 1 1 57 57 GLY C C 13 174.8 0.2 . 1 . . . . 80 GLY C . 16364 1 680 . 1 1 57 57 GLY CA C 13 46.3 0.2 . 1 . . . . 80 GLY CA . 16364 1 681 . 1 1 57 57 GLY N N 15 108.7 0.2 . 1 . . . . 80 GLY N . 16364 1 682 . 1 1 58 58 ARG H H 1 8.33 0.02 . 1 . . . . 81 ARG H . 16364 1 683 . 1 1 58 58 ARG HA H 1 4.44 0.02 . 1 . . . . 81 ARG HA . 16364 1 684 . 1 1 58 58 ARG HB2 H 1 1.75 0.02 . 2 . . . . 81 ARG HB2 . 16364 1 685 . 1 1 58 58 ARG HB3 H 1 1.57 0.02 . 2 . . . . 81 ARG HB3 . 16364 1 686 . 1 1 58 58 ARG HD2 H 1 3.27 0.02 . 2 . . . . 81 ARG HD2 . 16364 1 687 . 1 1 58 58 ARG HD3 H 1 2.92 0.02 . 2 . . . . 81 ARG HD3 . 16364 1 688 . 1 1 58 58 ARG HG2 H 1 1.91 0.02 . 2 . . . . 81 ARG HG2 . 16364 1 689 . 1 1 58 58 ARG HG3 H 1 1.58 0.02 . 2 . . . . 81 ARG HG3 . 16364 1 690 . 1 1 58 58 ARG C C 13 176.4 0.2 . 1 . . . . 81 ARG C . 16364 1 691 . 1 1 58 58 ARG CA C 13 54.7 0.2 . 1 . . . . 81 ARG CA . 16364 1 692 . 1 1 58 58 ARG CB C 13 32.3 0.2 . 1 . . . . 81 ARG CB . 16364 1 693 . 1 1 58 58 ARG CD C 13 43.2 0.2 . 1 . . . . 81 ARG CD . 16364 1 694 . 1 1 58 58 ARG CG C 13 29.4 0.2 . 1 . . . . 81 ARG CG . 16364 1 695 . 1 1 58 58 ARG N N 15 120.4 0.2 . 1 . . . . 81 ARG N . 16364 1 696 . 1 1 59 59 HIS H H 1 9.04 0.02 . 1 . . . . 82 HIS H . 16364 1 697 . 1 1 59 59 HIS HA H 1 4.28 0.02 . 1 . . . . 82 HIS HA . 16364 1 698 . 1 1 59 59 HIS HB2 H 1 3.09 0.02 . 2 . . . . 82 HIS HB2 . 16364 1 699 . 1 1 59 59 HIS HB3 H 1 2.86 0.02 . 2 . . . . 82 HIS HB3 . 16364 1 700 . 1 1 59 59 HIS HD2 H 1 6.89 0.02 . 1 . . . . 82 HIS HD2 . 16364 1 701 . 1 1 59 59 HIS HE1 H 1 7.72 0.02 . 1 . . . . 82 HIS HE1 . 16364 1 702 . 1 1 59 59 HIS CA C 13 56.8 0.2 . 1 . . . . 82 HIS CA . 16364 1 703 . 1 1 59 59 HIS CB C 13 30.9 0.2 . 1 . . . . 82 HIS CB . 16364 1 704 . 1 1 59 59 HIS CE1 C 13 139.2 0.2 . 1 . . . . 82 HIS CE1 . 16364 1 705 . 1 1 59 59 HIS N N 15 124.3 0.2 . 1 . . . . 82 HIS N . 16364 1 706 . 1 1 59 59 HIS ND1 N 15 250.5 0.2 . 1 . . . . 82 HIS ND1 . 16364 1 707 . 1 1 59 59 HIS NE2 N 15 165 0.2 . 1 . . . . 82 HIS NE2 . 16364 1 708 . 1 1 60 60 PRO HA H 1 3.64 0.02 . 1 . . . . 83 PRO HA . 16364 1 709 . 1 1 60 60 PRO HB2 H 1 1.96 0.02 . 2 . . . . 83 PRO HB2 . 16364 1 710 . 1 1 60 60 PRO HB3 H 1 1.73 0.02 . 2 . . . . 83 PRO HB3 . 16364 1 711 . 1 1 60 60 PRO HD2 H 1 3.52 0.02 . 2 . . . . 83 PRO HD2 . 16364 1 712 . 1 1 60 60 PRO HD3 H 1 2.48 0.02 . 2 . . . . 83 PRO HD3 . 16364 1 713 . 1 1 60 60 PRO HG2 H 1 1.79 0.02 . 2 . . . . 83 PRO HG2 . 16364 1 714 . 1 1 60 60 PRO HG3 H 1 1.72 0.02 . 2 . . . . 83 PRO HG3 . 16364 1 715 . 1 1 60 60 PRO C C 13 177 0.2 . 1 . . . . 83 PRO C . 16364 1 716 . 1 1 60 60 PRO CA C 13 64.8 0.2 . 1 . . . . 83 PRO CA . 16364 1 717 . 1 1 60 60 PRO CB C 13 31.7 0.2 . 1 . . . . 83 PRO CB . 16364 1 718 . 1 1 60 60 PRO CD C 13 50.7 0.2 . 1 . . . . 83 PRO CD . 16364 1 719 . 1 1 60 60 PRO CG C 13 27.1 0.2 . 1 . . . . 83 PRO CG . 16364 1 720 . 1 1 61 61 ASP H H 1 11.14 0.02 . 1 . . . . 84 ASP H . 16364 1 721 . 1 1 61 61 ASP HA H 1 4.7 0.02 . 1 . . . . 84 ASP HA . 16364 1 722 . 1 1 61 61 ASP HB2 H 1 2.79 0.02 . 2 . . . . 84 ASP HB2 . 16364 1 723 . 1 1 61 61 ASP HB3 H 1 2.68 0.02 . 2 . . . . 84 ASP HB3 . 16364 1 724 . 1 1 61 61 ASP C C 13 177.4 0.2 . 1 . . . . 84 ASP C . 16364 1 725 . 1 1 61 61 ASP CA C 13 53.9 0.2 . 1 . . . . 84 ASP CA . 16364 1 726 . 1 1 61 61 ASP CB C 13 40.5 0.2 . 1 . . . . 84 ASP CB . 16364 1 727 . 1 1 61 61 ASP N N 15 121.6 0.2 . 1 . . . . 84 ASP N . 16364 1 728 . 1 1 62 62 SER H H 1 8.19 0.02 . 1 . . . . 85 SER H . 16364 1 729 . 1 1 62 62 SER HA H 1 4.03 0.02 . 1 . . . . 85 SER HA . 16364 1 730 . 1 1 62 62 SER HB2 H 1 3.57 0.02 . 2 . . . . 85 SER HB2 . 16364 1 731 . 1 1 62 62 SER HB3 H 1 3.57 0.02 . 2 . . . . 85 SER HB3 . 16364 1 732 . 1 1 62 62 SER HG H 1 6.13 0.02 . 1 . . . . 85 SER HG . 16364 1 733 . 1 1 62 62 SER C C 13 173.4 0.2 . 1 . . . . 85 SER C . 16364 1 734 . 1 1 62 62 SER CA C 13 60.4 0.2 . 1 . . . . 85 SER CA . 16364 1 735 . 1 1 62 62 SER CB C 13 65.2 0.2 . 1 . . . . 85 SER CB . 16364 1 736 . 1 1 62 62 SER N N 15 118.1 0.2 . 1 . . . . 85 SER N . 16364 1 737 . 1 1 63 63 ASP H H 1 8.27 0.02 . 1 . . . . 86 ASP H . 16364 1 738 . 1 1 63 63 ASP HA H 1 4.39 0.02 . 1 . . . . 86 ASP HA . 16364 1 739 . 1 1 63 63 ASP HB2 H 1 3.23 0.02 . 2 . . . . 86 ASP HB2 . 16364 1 740 . 1 1 63 63 ASP HB3 H 1 2.78 0.02 . 2 . . . . 86 ASP HB3 . 16364 1 741 . 1 1 63 63 ASP C C 13 177.2 0.2 . 1 . . . . 86 ASP C . 16364 1 742 . 1 1 63 63 ASP CA C 13 58.3 0.2 . 1 . . . . 86 ASP CA . 16364 1 743 . 1 1 63 63 ASP CB C 13 42.1 0.2 . 1 . . . . 86 ASP CB . 16364 1 744 . 1 1 63 63 ASP N N 15 125.6 0.2 . 1 . . . . 86 ASP N . 16364 1 745 . 1 1 64 64 ILE H H 1 8.47 0.02 . 1 . . . . 87 ILE H . 16364 1 746 . 1 1 64 64 ILE HA H 1 3.56 0.02 . 1 . . . . 87 ILE HA . 16364 1 747 . 1 1 64 64 ILE HB H 1 1.48 0.02 . 1 . . . . 87 ILE HB . 16364 1 748 . 1 1 64 64 ILE HD11 H 1 0.24 0.02 . 1 . . . . 87 ILE HD1 . 16364 1 749 . 1 1 64 64 ILE HD12 H 1 0.24 0.02 . 1 . . . . 87 ILE HD1 . 16364 1 750 . 1 1 64 64 ILE HD13 H 1 0.24 0.02 . 1 . . . . 87 ILE HD1 . 16364 1 751 . 1 1 64 64 ILE HG12 H 1 1.02 0.02 . 2 . . . . 87 ILE HG12 . 16364 1 752 . 1 1 64 64 ILE HG13 H 1 0.23 0.02 . 2 . . . . 87 ILE HG13 . 16364 1 753 . 1 1 64 64 ILE HG21 H 1 -0.45 0.02 . 1 . . . . 87 ILE HG2 . 16364 1 754 . 1 1 64 64 ILE HG22 H 1 -0.45 0.02 . 1 . . . . 87 ILE HG2 . 16364 1 755 . 1 1 64 64 ILE HG23 H 1 -0.45 0.02 . 1 . . . . 87 ILE HG2 . 16364 1 756 . 1 1 64 64 ILE C C 13 172.9 0.2 . 1 . . . . 87 ILE C . 16364 1 757 . 1 1 64 64 ILE CA C 13 60.5 0.2 . 1 . . . . 87 ILE CA . 16364 1 758 . 1 1 64 64 ILE CB C 13 37.4 0.2 . 1 . . . . 87 ILE CB . 16364 1 759 . 1 1 64 64 ILE CD1 C 13 14.9 0.2 . 1 . . . . 87 ILE CD1 . 16364 1 760 . 1 1 64 64 ILE CG1 C 13 25.7 0.2 . 1 . . . . 87 ILE CG1 . 16364 1 761 . 1 1 64 64 ILE CG2 C 13 14.3 0.2 . 1 . . . . 87 ILE CG2 . 16364 1 762 . 1 1 64 64 ILE N N 15 119.5 0.2 . 1 . . . . 87 ILE N . 16364 1 763 . 1 1 65 65 PHE H H 1 8.1 0.02 . 1 . . . . 88 PHE H . 16364 1 764 . 1 1 65 65 PHE HA H 1 5.01 0.02 . 1 . . . . 88 PHE HA . 16364 1 765 . 1 1 65 65 PHE HB2 H 1 3.06 0.02 . 2 . . . . 88 PHE HB2 . 16364 1 766 . 1 1 65 65 PHE HB3 H 1 3 0.02 . 2 . . . . 88 PHE HB3 . 16364 1 767 . 1 1 65 65 PHE HD1 H 1 7.2 0.02 . 3 . . . . 88 PHE HD1 . 16364 1 768 . 1 1 65 65 PHE HD2 H 1 7.2 0.02 . 3 . . . . 88 PHE HD2 . 16364 1 769 . 1 1 65 65 PHE HE1 H 1 7.06 0.02 . 3 . . . . 88 PHE HE1 . 16364 1 770 . 1 1 65 65 PHE HE2 H 1 7.06 0.02 . 3 . . . . 88 PHE HE2 . 16364 1 771 . 1 1 65 65 PHE HZ H 1 6.84 0.02 . 1 . . . . 88 PHE HZ . 16364 1 772 . 1 1 65 65 PHE C C 13 174.0 0.2 . 1 . . . . 88 PHE C . 16364 1 773 . 1 1 65 65 PHE CA C 13 55.6 0.2 . 1 . . . . 88 PHE CA . 16364 1 774 . 1 1 65 65 PHE CB C 13 38.8 0.2 . 1 . . . . 88 PHE CB . 16364 1 775 . 1 1 65 65 PHE CD1 C 13 131.9 0.2 . 3 . . . . 88 PHE CD1 . 16364 1 776 . 1 1 65 65 PHE CD2 C 13 131.9 0.2 . 3 . . . . 88 PHE CD2 . 16364 1 777 . 1 1 65 65 PHE CE1 C 13 129.3 0.2 . 3 . . . . 88 PHE CE1 . 16364 1 778 . 1 1 65 65 PHE CE2 C 13 129.3 0.2 . 3 . . . . 88 PHE CE2 . 16364 1 779 . 1 1 65 65 PHE N N 15 127.1 0.2 . 1 . . . . 88 PHE N . 16364 1 780 . 1 1 66 66 LEU H H 1 7.71 0.02 . 1 . . . . 89 LEU H . 16364 1 781 . 1 1 66 66 LEU HA H 1 3.62 0.02 . 1 . . . . 89 LEU HA . 16364 1 782 . 1 1 66 66 LEU HB2 H 1 1.2 0.02 . 2 . . . . 89 LEU HB2 . 16364 1 783 . 1 1 66 66 LEU HB3 H 1 1.2 0.02 . 2 . . . . 89 LEU HB3 . 16364 1 784 . 1 1 66 66 LEU HD11 H 1 0.29 0.02 . 2 . . . . 89 LEU HD1 . 16364 1 785 . 1 1 66 66 LEU HD12 H 1 0.29 0.02 . 2 . . . . 89 LEU HD1 . 16364 1 786 . 1 1 66 66 LEU HD13 H 1 0.29 0.02 . 2 . . . . 89 LEU HD1 . 16364 1 787 . 1 1 66 66 LEU HD21 H 1 -0.27 0.02 . 2 . . . . 89 LEU HD2 . 16364 1 788 . 1 1 66 66 LEU HD22 H 1 -0.27 0.02 . 2 . . . . 89 LEU HD2 . 16364 1 789 . 1 1 66 66 LEU HD23 H 1 -0.27 0.02 . 2 . . . . 89 LEU HD2 . 16364 1 790 . 1 1 66 66 LEU HG H 1 1.02 0.02 . 1 . . . . 89 LEU HG . 16364 1 791 . 1 1 66 66 LEU C C 13 173.5 0.2 . 1 . . . . 89 LEU C . 16364 1 792 . 1 1 66 66 LEU CA C 13 52.1 0.2 . 1 . . . . 89 LEU CA . 16364 1 793 . 1 1 66 66 LEU CB C 13 41.3 0.2 . 1 . . . . 89 LEU CB . 16364 1 794 . 1 1 66 66 LEU CD1 C 13 25.9 0.2 . 2 . . . . 89 LEU CD1 . 16364 1 795 . 1 1 66 66 LEU CD2 C 13 20.8 0.2 . 2 . . . . 89 LEU CD2 . 16364 1 796 . 1 1 66 66 LEU CG C 13 24.6 0.2 . 1 . . . . 89 LEU CG . 16364 1 797 . 1 1 66 66 LEU N N 15 131.9 0.2 . 1 . . . . 89 LEU N . 16364 1 798 . 1 1 67 67 ASP H H 1 7.98 0.02 . 1 . . . . 90 ASP H . 16364 1 799 . 1 1 67 67 ASP HA H 1 4.26 0.02 . 1 . . . . 90 ASP HA . 16364 1 800 . 1 1 67 67 ASP HB2 H 1 2.67 0.02 . 2 . . . . 90 ASP HB2 . 16364 1 801 . 1 1 67 67 ASP HB3 H 1 1.65 0.02 . 2 . . . . 90 ASP HB3 . 16364 1 802 . 1 1 67 67 ASP C C 13 174.8 0.2 . 1 . . . . 90 ASP C . 16364 1 803 . 1 1 67 67 ASP CA C 13 53.1 0.2 . 1 . . . . 90 ASP CA . 16364 1 804 . 1 1 67 67 ASP CB C 13 39.9 0.2 . 1 . . . . 90 ASP CB . 16364 1 805 . 1 1 67 67 ASP N N 15 120.0 0.2 . 1 . . . . 90 ASP N . 16364 1 806 . 1 1 68 68 ASP H H 1 7.48 0.02 . 1 . . . . 91 ASP H . 16364 1 807 . 1 1 68 68 ASP HA H 1 4.85 0.02 . 1 . . . . 91 ASP HA . 16364 1 808 . 1 1 68 68 ASP HB2 H 1 2.82 0.02 . 2 . . . . 91 ASP HB2 . 16364 1 809 . 1 1 68 68 ASP HB3 H 1 2.38 0.02 . 2 . . . . 91 ASP HB3 . 16364 1 810 . 1 1 68 68 ASP C C 13 175.6 0.2 . 1 . . . . 91 ASP C . 16364 1 811 . 1 1 68 68 ASP CA C 13 54.9 0.2 . 1 . . . . 91 ASP CA . 16364 1 812 . 1 1 68 68 ASP CB C 13 48.5 0.2 . 1 . . . . 91 ASP CB . 16364 1 813 . 1 1 68 68 ASP N N 15 121.4 0.2 . 1 . . . . 91 ASP N . 16364 1 814 . 1 1 69 69 VAL H H 1 8.37 0.02 . 1 . . . . 92 VAL H . 16364 1 815 . 1 1 69 69 VAL HA H 1 4.06 0.02 . 1 . . . . 92 VAL HA . 16364 1 816 . 1 1 69 69 VAL HB H 1 2.24 0.02 . 1 . . . . 92 VAL HB . 16364 1 817 . 1 1 69 69 VAL HG11 H 1 1.02 0.02 . 2 . . . . 92 VAL HG1 . 16364 1 818 . 1 1 69 69 VAL HG12 H 1 1.02 0.02 . 2 . . . . 92 VAL HG1 . 16364 1 819 . 1 1 69 69 VAL HG13 H 1 1.02 0.02 . 2 . . . . 92 VAL HG1 . 16364 1 820 . 1 1 69 69 VAL HG21 H 1 1.02 0.02 . 2 . . . . 92 VAL HG2 . 16364 1 821 . 1 1 69 69 VAL HG22 H 1 1.02 0.02 . 2 . . . . 92 VAL HG2 . 16364 1 822 . 1 1 69 69 VAL HG23 H 1 1.02 0.02 . 2 . . . . 92 VAL HG2 . 16364 1 823 . 1 1 69 69 VAL C C 13 175.9 0.2 . 1 . . . . 92 VAL C . 16364 1 824 . 1 1 69 69 VAL CA C 13 64.8 0.2 . 1 . . . . 92 VAL CA . 16364 1 825 . 1 1 69 69 VAL CB C 13 31.7 0.2 . 1 . . . . 92 VAL CB . 16364 1 826 . 1 1 69 69 VAL CG1 C 13 20.5 0.2 . 2 . . . . 92 VAL CG1 . 16364 1 827 . 1 1 69 69 VAL CG2 C 13 20.3 0.2 . 2 . . . . 92 VAL CG2 . 16364 1 828 . 1 1 69 69 VAL N N 15 121.9 0.2 . 1 . . . . 92 VAL N . 16364 1 829 . 1 1 70 70 THR H H 1 8.36 0.02 . 1 . . . . 93 THR H . 16364 1 830 . 1 1 70 70 THR HA H 1 4.06 0.02 . 1 . . . . 93 THR HA . 16364 1 831 . 1 1 70 70 THR HB H 1 4.4 0.02 . 1 . . . . 93 THR HB . 16364 1 832 . 1 1 70 70 THR HG1 H 1 6.56 0.02 . 1 . . . . 93 THR HG1 . 16364 1 833 . 1 1 70 70 THR HG21 H 1 1.34 0.02 . 1 . . . . 93 THR HG2 . 16364 1 834 . 1 1 70 70 THR HG22 H 1 1.34 0.02 . 1 . . . . 93 THR HG2 . 16364 1 835 . 1 1 70 70 THR HG23 H 1 1.34 0.02 . 1 . . . . 93 THR HG2 . 16364 1 836 . 1 1 70 70 THR C C 13 175.1 0.2 . 1 . . . . 93 THR C . 16364 1 837 . 1 1 70 70 THR CA C 13 63.7 0.2 . 1 . . . . 93 THR CA . 16364 1 838 . 1 1 70 70 THR CB C 13 70.3 0.2 . 1 . . . . 93 THR CB . 16364 1 839 . 1 1 70 70 THR CG2 C 13 22.7 0.2 . 1 . . . . 93 THR CG2 . 16364 1 840 . 1 1 70 70 THR N N 15 111.1 0.2 . 1 . . . . 93 THR N . 16364 1 841 . 1 1 71 71 VAL H H 1 8.24 0.02 . 1 . . . . 94 VAL H . 16364 1 842 . 1 1 71 71 VAL HA H 1 4.52 0.02 . 1 . . . . 94 VAL HA . 16364 1 843 . 1 1 71 71 VAL HB H 1 2.45 0.02 . 1 . . . . 94 VAL HB . 16364 1 844 . 1 1 71 71 VAL HG11 H 1 1.15 0.02 . 2 . . . . 94 VAL HG1 . 16364 1 845 . 1 1 71 71 VAL HG12 H 1 1.15 0.02 . 2 . . . . 94 VAL HG1 . 16364 1 846 . 1 1 71 71 VAL HG13 H 1 1.15 0.02 . 2 . . . . 94 VAL HG1 . 16364 1 847 . 1 1 71 71 VAL HG21 H 1 1.02 0.02 . 2 . . . . 94 VAL HG2 . 16364 1 848 . 1 1 71 71 VAL HG22 H 1 1.02 0.02 . 2 . . . . 94 VAL HG2 . 16364 1 849 . 1 1 71 71 VAL HG23 H 1 1.02 0.02 . 2 . . . . 94 VAL HG2 . 16364 1 850 . 1 1 71 71 VAL C C 13 176.8 0.2 . 1 . . . . 94 VAL C . 16364 1 851 . 1 1 71 71 VAL CA C 13 61.2 0.2 . 1 . . . . 94 VAL CA . 16364 1 852 . 1 1 71 71 VAL CB C 13 33.5 0.2 . 1 . . . . 94 VAL CB . 16364 1 853 . 1 1 71 71 VAL CG1 C 13 21.1 0.2 . 2 . . . . 94 VAL CG1 . 16364 1 854 . 1 1 71 71 VAL CG2 C 13 22.9 0.2 . 2 . . . . 94 VAL CG2 . 16364 1 855 . 1 1 71 71 VAL N N 15 125.5 0.2 . 1 . . . . 94 VAL N . 16364 1 856 . 1 1 72 72 SER H H 1 11.41 0.02 . 1 . . . . 95 SER H . 16364 1 857 . 1 1 72 72 SER HA H 1 4.67 0.02 . 1 . . . . 95 SER HA . 16364 1 858 . 1 1 72 72 SER HB2 H 1 3.46 0.02 . 2 . . . . 95 SER HB2 . 16364 1 859 . 1 1 72 72 SER HB3 H 1 3.46 0.02 . 2 . . . . 95 SER HB3 . 16364 1 860 . 1 1 72 72 SER C C 13 174.5 0.2 . 1 . . . . 95 SER C . 16364 1 861 . 1 1 72 72 SER CA C 13 60.6 0.2 . 1 . . . . 95 SER CA . 16364 1 862 . 1 1 72 72 SER CB C 13 64.2 0.2 . 1 . . . . 95 SER CB . 16364 1 863 . 1 1 72 72 SER N N 15 126.8 0.2 . 1 . . . . 95 SER N . 16364 1 864 . 1 1 73 73 ARG H H 1 9.26 0.02 . 1 . . . . 96 ARG H . 16364 1 865 . 1 1 73 73 ARG HA H 1 3.77 0.02 . 1 . . . . 96 ARG HA . 16364 1 866 . 1 1 73 73 ARG HB2 H 1 2.01 0.02 . 2 . . . . 96 ARG HB2 . 16364 1 867 . 1 1 73 73 ARG HB3 H 1 1.88 0.02 . 2 . . . . 96 ARG HB3 . 16364 1 868 . 1 1 73 73 ARG HD2 H 1 3.29 0.02 . 2 . . . . 96 ARG HD2 . 16364 1 869 . 1 1 73 73 ARG HD3 H 1 3.29 0.02 . 2 . . . . 96 ARG HD3 . 16364 1 870 . 1 1 73 73 ARG HE H 1 7.32 0.02 . 1 . . . . 96 ARG HE . 16364 1 871 . 1 1 73 73 ARG HG2 H 1 1.84 0.02 . 2 . . . . 96 ARG HG2 . 16364 1 872 . 1 1 73 73 ARG HG3 H 1 1.57 0.02 . 2 . . . . 96 ARG HG3 . 16364 1 873 . 1 1 73 73 ARG C C 13 176.6 0.2 . 1 . . . . 96 ARG C . 16364 1 874 . 1 1 73 73 ARG CA C 13 61.3 0.2 . 1 . . . . 96 ARG CA . 16364 1 875 . 1 1 73 73 ARG CB C 13 29.8 0.2 . 1 . . . . 96 ARG CB . 16364 1 876 . 1 1 73 73 ARG CD C 13 44.1 0.2 . 1 . . . . 96 ARG CD . 16364 1 877 . 1 1 73 73 ARG CG C 13 29.0 0.2 . 1 . . . . 96 ARG CG . 16364 1 878 . 1 1 73 73 ARG N N 15 124.6 0.2 . 1 . . . . 96 ARG N . 16364 1 879 . 1 1 73 73 ARG NE N 15 85.3 0.2 . 1 . . . . 96 ARG NE . 16364 1 880 . 1 1 74 74 ARG H H 1 7.8 0.02 . 1 . . . . 97 ARG H . 16364 1 881 . 1 1 74 74 ARG HA H 1 4.44 0.02 . 1 . . . . 97 ARG HA . 16364 1 882 . 1 1 74 74 ARG HB2 H 1 1.93 0.02 . 2 . . . . 97 ARG HB2 . 16364 1 883 . 1 1 74 74 ARG HB3 H 1 1.85 0.02 . 2 . . . . 97 ARG HB3 . 16364 1 884 . 1 1 74 74 ARG HD2 H 1 3.30 0.02 . 2 . . . . 97 ARG HD2 . 16364 1 885 . 1 1 74 74 ARG HD3 H 1 2.90 0.02 . 2 . . . . 97 ARG HD3 . 16364 1 886 . 1 1 74 74 ARG HE H 1 6.87 0.02 . 1 . . . . 97 ARG HE . 16364 1 887 . 1 1 74 74 ARG HG2 H 1 1.64 0.02 . 2 . . . . 97 ARG HG2 . 16364 1 888 . 1 1 74 74 ARG HG3 H 1 1.56 0.02 . 2 . . . . 97 ARG HG3 . 16364 1 889 . 1 1 74 74 ARG C C 13 173.1 0.2 . 1 . . . . 97 ARG C . 16364 1 890 . 1 1 74 74 ARG CA C 13 54.8 0.2 . 1 . . . . 97 ARG CA . 16364 1 891 . 1 1 74 74 ARG CB C 13 29.3 0.2 . 1 . . . . 97 ARG CB . 16364 1 892 . 1 1 74 74 ARG CD C 13 43.7 0.2 . 1 . . . . 97 ARG CD . 16364 1 893 . 1 1 74 74 ARG CG C 13 26.0 0.2 . 1 . . . . 97 ARG CG . 16364 1 894 . 1 1 74 74 ARG N N 15 114.8 0.2 . 1 . . . . 97 ARG N . 16364 1 895 . 1 1 74 74 ARG NE N 15 83.7 0.2 . 1 . . . . 97 ARG NE . 16364 1 896 . 1 1 75 75 HIS H H 1 7.84 0.02 . 1 . . . . 98 HIS H . 16364 1 897 . 1 1 75 75 HIS HA H 1 4.43 0.02 . 1 . . . . 98 HIS HA . 16364 1 898 . 1 1 75 75 HIS HB2 H 1 3.27 0.02 . 2 . . . . 98 HIS HB2 . 16364 1 899 . 1 1 75 75 HIS HB3 H 1 3.12 0.02 . 2 . . . . 98 HIS HB3 . 16364 1 900 . 1 1 75 75 HIS HD1 H 1 11.1 0.02 . 1 . . . . 98 HIS HD1 . 16364 1 901 . 1 1 75 75 HIS HD2 H 1 6.83 0.02 . 1 . . . . 98 HIS HD2 . 16364 1 902 . 1 1 75 75 HIS HE1 H 1 8.02 0.02 . 1 . . . . 98 HIS HE1 . 16364 1 903 . 1 1 75 75 HIS C C 13 173.8 0.2 . 1 . . . . 98 HIS C . 16364 1 904 . 1 1 75 75 HIS CA C 13 57.8 0.2 . 1 . . . . 98 HIS CA . 16364 1 905 . 1 1 75 75 HIS CB C 13 35 0.2 . 1 . . . . 98 HIS CB . 16364 1 906 . 1 1 75 75 HIS CD2 C 13 117 0.2 . 1 . . . . 98 HIS CD2 . 16364 1 907 . 1 1 75 75 HIS CE1 C 13 137.8 0.2 . 1 . . . . 98 HIS CE1 . 16364 1 908 . 1 1 75 75 HIS N N 15 124.4 0.2 . 1 . . . . 98 HIS N . 16364 1 909 . 1 1 75 75 HIS ND1 N 15 168.3 0.2 . 1 . . . . 98 HIS ND1 . 16364 1 910 . 1 1 76 76 ALA H H 1 8.49 0.02 . 1 . . . . 99 ALA H . 16364 1 911 . 1 1 76 76 ALA HA H 1 5.58 0.02 . 1 . . . . 99 ALA HA . 16364 1 912 . 1 1 76 76 ALA HB1 H 1 1.13 0.02 . 1 . . . . 99 ALA HB . 16364 1 913 . 1 1 76 76 ALA HB2 H 1 1.13 0.02 . 1 . . . . 99 ALA HB . 16364 1 914 . 1 1 76 76 ALA HB3 H 1 1.13 0.02 . 1 . . . . 99 ALA HB . 16364 1 915 . 1 1 76 76 ALA C C 13 176.5 0.2 . 1 . . . . 99 ALA C . 16364 1 916 . 1 1 76 76 ALA CA C 13 50.3 0.2 . 1 . . . . 99 ALA CA . 16364 1 917 . 1 1 76 76 ALA CB C 13 23.2 0.2 . 1 . . . . 99 ALA CB . 16364 1 918 . 1 1 76 76 ALA N N 15 116.6 0.2 . 1 . . . . 99 ALA N . 16364 1 919 . 1 1 77 77 GLU H H 1 9.03 0.02 . 1 . . . . 100 GLU H . 16364 1 920 . 1 1 77 77 GLU HA H 1 5.03 0.02 . 1 . . . . 100 GLU HA . 16364 1 921 . 1 1 77 77 GLU HB2 H 1 1.66 0.02 . 2 . . . . 100 GLU HB2 . 16364 1 922 . 1 1 77 77 GLU HB3 H 1 1.58 0.02 . 2 . . . . 100 GLU HB3 . 16364 1 923 . 1 1 77 77 GLU HG2 H 1 2.14 0.02 . 2 . . . . 100 GLU HG2 . 16364 1 924 . 1 1 77 77 GLU HG3 H 1 2.01 0.02 . 2 . . . . 100 GLU HG3 . 16364 1 925 . 1 1 77 77 GLU C C 13 174.1 0.2 . 1 . . . . 100 GLU C . 16364 1 926 . 1 1 77 77 GLU CA C 13 54.5 0.2 . 1 . . . . 100 GLU CA . 16364 1 927 . 1 1 77 77 GLU CB C 13 34.9 0.2 . 1 . . . . 100 GLU CB . 16364 1 928 . 1 1 77 77 GLU CG C 13 36.9 0.2 . 1 . . . . 100 GLU CG . 16364 1 929 . 1 1 77 77 GLU N N 15 118.1 0.2 . 1 . . . . 100 GLU N . 16364 1 930 . 1 1 78 78 PHE H H 1 9.4 0.02 . 1 . . . . 101 PHE H . 16364 1 931 . 1 1 78 78 PHE HA H 1 5.4 0.02 . 1 . . . . 101 PHE HA . 16364 1 932 . 1 1 78 78 PHE HB2 H 1 3.03 0.02 . 2 . . . . 101 PHE HB2 . 16364 1 933 . 1 1 78 78 PHE HB3 H 1 2.76 0.02 . 2 . . . . 101 PHE HB3 . 16364 1 934 . 1 1 78 78 PHE HD1 H 1 6.94 0.02 . 3 . . . . 101 PHE HD1 . 16364 1 935 . 1 1 78 78 PHE HD2 H 1 6.94 0.02 . 3 . . . . 101 PHE HD2 . 16364 1 936 . 1 1 78 78 PHE HE1 H 1 6.82 0.02 . 3 . . . . 101 PHE HE1 . 16364 1 937 . 1 1 78 78 PHE HE2 H 1 6.82 0.02 . 3 . . . . 101 PHE HE2 . 16364 1 938 . 1 1 78 78 PHE HZ H 1 7.15 0.02 . 1 . . . . 101 PHE HZ . 16364 1 939 . 1 1 78 78 PHE C C 13 176.5 0.2 . 1 . . . . 101 PHE C . 16364 1 940 . 1 1 78 78 PHE CA C 13 56.7 0.2 . 1 . . . . 101 PHE CA . 16364 1 941 . 1 1 78 78 PHE CB C 13 41 0.2 . 1 . . . . 101 PHE CB . 16364 1 942 . 1 1 78 78 PHE CD1 C 13 131.8 0.2 . 3 . . . . 101 PHE CD1 . 16364 1 943 . 1 1 78 78 PHE CD2 C 13 131.8 0.2 . 3 . . . . 101 PHE CD2 . 16364 1 944 . 1 1 78 78 PHE CE1 C 13 130.2 0.2 . 3 . . . . 101 PHE CE1 . 16364 1 945 . 1 1 78 78 PHE CE2 C 13 130.2 0.2 . 3 . . . . 101 PHE CE2 . 16364 1 946 . 1 1 78 78 PHE N N 15 119.6 0.2 . 1 . . . . 101 PHE N . 16364 1 947 . 1 1 79 79 ARG H H 1 9.72 0.02 . 1 . . . . 102 ARG H . 16364 1 948 . 1 1 79 79 ARG HA H 1 5.49 0.02 . 1 . . . . 102 ARG HA . 16364 1 949 . 1 1 79 79 ARG HB2 H 1 1.81 0.02 . 2 . . . . 102 ARG HB2 . 16364 1 950 . 1 1 79 79 ARG HB3 H 1 1.74 0.02 . 2 . . . . 102 ARG HB3 . 16364 1 951 . 1 1 79 79 ARG HD2 H 1 3.13 0.02 . 2 . . . . 102 ARG HD2 . 16364 1 952 . 1 1 79 79 ARG HD3 H 1 3 0.02 . 2 . . . . 102 ARG HD3 . 16364 1 953 . 1 1 79 79 ARG HE H 1 7.17 0.02 . 1 . . . . 102 ARG HE . 16364 1 954 . 1 1 79 79 ARG HG2 H 1 1.47 0.02 . 2 . . . . 102 ARG HG2 . 16364 1 955 . 1 1 79 79 ARG HG3 H 1 1.47 0.02 . 2 . . . . 102 ARG HG3 . 16364 1 956 . 1 1 79 79 ARG C C 13 174.3 0.2 . 1 . . . . 102 ARG C . 16364 1 957 . 1 1 79 79 ARG CA C 13 54.8 0.2 . 1 . . . . 102 ARG CA . 16364 1 958 . 1 1 79 79 ARG CB C 13 33.1 0.2 . 1 . . . . 102 ARG CB . 16364 1 959 . 1 1 79 79 ARG CD C 13 43.6 0.2 . 1 . . . . 102 ARG CD . 16364 1 960 . 1 1 79 79 ARG CG C 13 28.1 0.2 . 1 . . . . 102 ARG CG . 16364 1 961 . 1 1 79 79 ARG N N 15 126.1 0.2 . 1 . . . . 102 ARG N . 16364 1 962 . 1 1 79 79 ARG NE N 15 82.8 0.2 . 1 . . . . 102 ARG NE . 16364 1 963 . 1 1 80 80 LEU H H 1 9.02 0.02 . 1 . . . . 103 LEU H . 16364 1 964 . 1 1 80 80 LEU HA H 1 4.4 0.02 . 1 . . . . 103 LEU HA . 16364 1 965 . 1 1 80 80 LEU HB2 H 1 1.65 0.02 . 2 . . . . 103 LEU HB2 . 16364 1 966 . 1 1 80 80 LEU HB3 H 1 0.94 0.02 . 2 . . . . 103 LEU HB3 . 16364 1 967 . 1 1 80 80 LEU HD11 H 1 -0.17 0.02 . 2 . . . . 103 LEU HD1 . 16364 1 968 . 1 1 80 80 LEU HD12 H 1 -0.17 0.02 . 2 . . . . 103 LEU HD1 . 16364 1 969 . 1 1 80 80 LEU HD13 H 1 -0.17 0.02 . 2 . . . . 103 LEU HD1 . 16364 1 970 . 1 1 80 80 LEU HD21 H 1 0.54 0.02 . 2 . . . . 103 LEU HD2 . 16364 1 971 . 1 1 80 80 LEU HD22 H 1 0.54 0.02 . 2 . . . . 103 LEU HD2 . 16364 1 972 . 1 1 80 80 LEU HD23 H 1 0.54 0.02 . 2 . . . . 103 LEU HD2 . 16364 1 973 . 1 1 80 80 LEU HG H 1 0.95 0.02 . 1 . . . . 103 LEU HG . 16364 1 974 . 1 1 80 80 LEU C C 13 176.1 0.2 . 1 . . . . 103 LEU C . 16364 1 975 . 1 1 80 80 LEU CA C 13 54.1 0.2 . 1 . . . . 103 LEU CA . 16364 1 976 . 1 1 80 80 LEU CB C 13 42.6 0.2 . 1 . . . . 103 LEU CB . 16364 1 977 . 1 1 80 80 LEU CD1 C 13 21.2 0.2 . 2 . . . . 103 LEU CD1 . 16364 1 978 . 1 1 80 80 LEU CD2 C 13 25.2 0.2 . 2 . . . . 103 LEU CD2 . 16364 1 979 . 1 1 80 80 LEU CG C 13 26.9 0.2 . 1 . . . . 103 LEU CG . 16364 1 980 . 1 1 80 80 LEU N N 15 128.0 0.2 . 1 . . . . 103 LEU N . 16364 1 981 . 1 1 81 81 GLU H H 1 8.86 0.02 . 1 . . . . 104 GLU H . 16364 1 982 . 1 1 81 81 GLU HA H 1 4.43 0.02 . 1 . . . . 104 GLU HA . 16364 1 983 . 1 1 81 81 GLU HB2 H 1 1.80 0.02 . 2 . . . . 104 GLU HB2 . 16364 1 984 . 1 1 81 81 GLU HB3 H 1 1.76 0.02 . 2 . . . . 104 GLU HB3 . 16364 1 985 . 1 1 81 81 GLU HG2 H 1 2.03 0.02 . 2 . . . . 104 GLU HG2 . 16364 1 986 . 1 1 81 81 GLU HG3 H 1 2.03 0.02 . 2 . . . . 104 GLU HG3 . 16364 1 987 . 1 1 81 81 GLU C C 13 175.8 0.2 . 1 . . . . 104 GLU C . 16364 1 988 . 1 1 81 81 GLU CA C 13 55.5 0.2 . 1 . . . . 104 GLU CA . 16364 1 989 . 1 1 81 81 GLU CB C 13 32.6 0.2 . 1 . . . . 104 GLU CB . 16364 1 990 . 1 1 81 81 GLU CG C 13 35.9 0.2 . 1 . . . . 104 GLU CG . 16364 1 991 . 1 1 81 81 GLU N N 15 128.6 0.2 . 1 . . . . 104 GLU N . 16364 1 992 . 1 1 82 82 ASN H H 1 9.41 0.02 . 1 . . . . 105 ASN H . 16364 1 993 . 1 1 82 82 ASN HA H 1 4.2 0.02 . 1 . . . . 105 ASN HA . 16364 1 994 . 1 1 82 82 ASN HB2 H 1 2.95 0.02 . 2 . . . . 105 ASN HB2 . 16364 1 995 . 1 1 82 82 ASN HB3 H 1 2.72 0.02 . 2 . . . . 105 ASN HB3 . 16364 1 996 . 1 1 82 82 ASN HD21 H 1 7.73 0.02 . 2 . . . . 105 ASN HD21 . 16364 1 997 . 1 1 82 82 ASN HD22 H 1 6.87 0.02 . 2 . . . . 105 ASN HD22 . 16364 1 998 . 1 1 82 82 ASN C C 13 174.3 0.2 . 1 . . . . 105 ASN C . 16364 1 999 . 1 1 82 82 ASN CA C 13 54.7 0.2 . 1 . . . . 105 ASN CA . 16364 1 1000 . 1 1 82 82 ASN CB C 13 37.2 0.2 . 1 . . . . 105 ASN CB . 16364 1 1001 . 1 1 82 82 ASN CG C 13 178.1 0.2 . 1 . . . . 105 ASN CG . 16364 1 1002 . 1 1 82 82 ASN N N 15 124.6 0.2 . 1 . . . . 105 ASN N . 16364 1 1003 . 1 1 82 82 ASN ND2 N 15 114.1 0.2 . 1 . . . . 105 ASN ND2 . 16364 1 1004 . 1 1 83 83 ASN H H 1 8.64 0.02 . 1 . . . . 106 ASN H . 16364 1 1005 . 1 1 83 83 ASN HA H 1 4.01 0.02 . 1 . . . . 106 ASN HA . 16364 1 1006 . 1 1 83 83 ASN HB2 H 1 3 0.02 . 2 . . . . 106 ASN HB2 . 16364 1 1007 . 1 1 83 83 ASN HB3 H 1 2.91 0.02 . 2 . . . . 106 ASN HB3 . 16364 1 1008 . 1 1 83 83 ASN HD21 H 1 7.52 0.02 . 2 . . . . 106 ASN HD21 . 16364 1 1009 . 1 1 83 83 ASN HD22 H 1 6.82 0.02 . 2 . . . . 106 ASN HD22 . 16364 1 1010 . 1 1 83 83 ASN C C 13 173.1 0.2 . 1 . . . . 106 ASN C . 16364 1 1011 . 1 1 83 83 ASN CA C 13 54.9 0.2 . 1 . . . . 106 ASN CA . 16364 1 1012 . 1 1 83 83 ASN CB C 13 38.1 0.2 . 1 . . . . 106 ASN CB . 16364 1 1013 . 1 1 83 83 ASN CG C 13 178.3 0.2 . 1 . . . . 106 ASN CG . 16364 1 1014 . 1 1 83 83 ASN N N 15 108.9 0.2 . 1 . . . . 106 ASN N . 16364 1 1015 . 1 1 83 83 ASN ND2 N 15 113 0.2 . 1 . . . . 106 ASN ND2 . 16364 1 1016 . 1 1 84 84 GLU H H 1 7.66 0.02 . 1 . . . . 107 GLU H . 16364 1 1017 . 1 1 84 84 GLU HA H 1 4.66 0.02 . 1 . . . . 107 GLU HA . 16364 1 1018 . 1 1 84 84 GLU HB2 H 1 2.07 0.02 . 2 . . . . 107 GLU HB2 . 16364 1 1019 . 1 1 84 84 GLU HB3 H 1 1.89 0.02 . 2 . . . . 107 GLU HB3 . 16364 1 1020 . 1 1 84 84 GLU HG2 H 1 2.25 0.02 . 2 . . . . 107 GLU HG2 . 16364 1 1021 . 1 1 84 84 GLU HG3 H 1 2.25 0.02 . 2 . . . . 107 GLU HG3 . 16364 1 1022 . 1 1 84 84 GLU C C 13 174.3 0.2 . 1 . . . . 107 GLU C . 16364 1 1023 . 1 1 84 84 GLU CA C 13 54.7 0.2 . 1 . . . . 107 GLU CA . 16364 1 1024 . 1 1 84 84 GLU CB C 13 32.9 0.2 . 1 . . . . 107 GLU CB . 16364 1 1025 . 1 1 84 84 GLU CG C 13 35.5 0.2 . 1 . . . . 107 GLU CG . 16364 1 1026 . 1 1 84 84 GLU N N 15 118.3 0.2 . 1 . . . . 107 GLU N . 16364 1 1027 . 1 1 85 85 PHE H H 1 9.69 0.02 . 1 . . . . 108 PHE H . 16364 1 1028 . 1 1 85 85 PHE HA H 1 5.00 0.02 . 1 . . . . 108 PHE HA . 16364 1 1029 . 1 1 85 85 PHE HB2 H 1 2.93 0.02 . 2 . . . . 108 PHE HB2 . 16364 1 1030 . 1 1 85 85 PHE HB3 H 1 2.49 0.02 . 2 . . . . 108 PHE HB3 . 16364 1 1031 . 1 1 85 85 PHE HD1 H 1 7.17 0.02 . 3 . . . . 108 PHE HD1 . 16364 1 1032 . 1 1 85 85 PHE HD2 H 1 7.17 0.02 . 3 . . . . 108 PHE HD2 . 16364 1 1033 . 1 1 85 85 PHE HE1 H 1 7.26 0.02 . 3 . . . . 108 PHE HE1 . 16364 1 1034 . 1 1 85 85 PHE HE2 H 1 7.26 0.02 . 3 . . . . 108 PHE HE2 . 16364 1 1035 . 1 1 85 85 PHE C C 13 174.5 0.2 . 1 . . . . 108 PHE C . 16364 1 1036 . 1 1 85 85 PHE CA C 13 58.6 0.2 . 1 . . . . 108 PHE CA . 16364 1 1037 . 1 1 85 85 PHE CB C 13 41.8 0.2 . 1 . . . . 108 PHE CB . 16364 1 1038 . 1 1 85 85 PHE CD1 C 13 131.2 0.2 . 3 . . . . 108 PHE CD1 . 16364 1 1039 . 1 1 85 85 PHE CD2 C 13 131.2 0.2 . 3 . . . . 108 PHE CD2 . 16364 1 1040 . 1 1 85 85 PHE CE1 C 13 129.9 0.2 . 3 . . . . 108 PHE CE1 . 16364 1 1041 . 1 1 85 85 PHE CE2 C 13 129.9 0.2 . 3 . . . . 108 PHE CE2 . 16364 1 1042 . 1 1 85 85 PHE N N 15 121.1 0.2 . 1 . . . . 108 PHE N . 16364 1 1043 . 1 1 86 86 ASN H H 1 9.18 0.02 . 1 . . . . 109 ASN H . 16364 1 1044 . 1 1 86 86 ASN HA H 1 5.58 0.02 . 1 . . . . 109 ASN HA . 16364 1 1045 . 1 1 86 86 ASN HB2 H 1 2.52 0.02 . 2 . . . . 109 ASN HB2 . 16364 1 1046 . 1 1 86 86 ASN HB3 H 1 2.27 0.02 . 2 . . . . 109 ASN HB3 . 16364 1 1047 . 1 1 86 86 ASN HD21 H 1 6.79 0.02 . 2 . . . . 109 ASN HD21 . 16364 1 1048 . 1 1 86 86 ASN HD22 H 1 6.66 0.02 . 2 . . . . 109 ASN HD22 . 16364 1 1049 . 1 1 86 86 ASN C C 13 175 0.2 . 1 . . . . 109 ASN C . 16364 1 1050 . 1 1 86 86 ASN CA C 13 51.2 0.2 . 1 . . . . 109 ASN CA . 16364 1 1051 . 1 1 86 86 ASN CB C 13 42.1 0.2 . 1 . . . . 109 ASN CB . 16364 1 1052 . 1 1 86 86 ASN CG C 13 175.4 0.2 . 1 . . . . 109 ASN CG . 16364 1 1053 . 1 1 86 86 ASN N N 15 119.4 0.2 . 1 . . . . 109 ASN N . 16364 1 1054 . 1 1 86 86 ASN ND2 N 15 110.4 0.2 . 1 . . . . 109 ASN ND2 . 16364 1 1055 . 1 1 87 87 VAL H H 1 9.06 0.02 . 1 . . . . 110 VAL H . 16364 1 1056 . 1 1 87 87 VAL HA H 1 4.94 0.02 . 1 . . . . 110 VAL HA . 16364 1 1057 . 1 1 87 87 VAL HB H 1 1.61 0.02 . 1 . . . . 110 VAL HB . 16364 1 1058 . 1 1 87 87 VAL HG11 H 1 0.73 0.02 . 2 . . . . 110 VAL HG1 . 16364 1 1059 . 1 1 87 87 VAL HG12 H 1 0.73 0.02 . 2 . . . . 110 VAL HG1 . 16364 1 1060 . 1 1 87 87 VAL HG13 H 1 0.73 0.02 . 2 . . . . 110 VAL HG1 . 16364 1 1061 . 1 1 87 87 VAL HG21 H 1 0.09 0.02 . 2 . . . . 110 VAL HG2 . 16364 1 1062 . 1 1 87 87 VAL HG22 H 1 0.09 0.02 . 2 . . . . 110 VAL HG2 . 16364 1 1063 . 1 1 87 87 VAL HG23 H 1 0.09 0.02 . 2 . . . . 110 VAL HG2 . 16364 1 1064 . 1 1 87 87 VAL C C 13 171.7 0.2 . 1 . . . . 110 VAL C . 16364 1 1065 . 1 1 87 87 VAL CA C 13 58.4 0.2 . 1 . . . . 110 VAL CA . 16364 1 1066 . 1 1 87 87 VAL CB C 13 33.8 0.2 . 1 . . . . 110 VAL CB . 16364 1 1067 . 1 1 87 87 VAL CG1 C 13 19.7 0.2 . 2 . . . . 110 VAL CG1 . 16364 1 1068 . 1 1 87 87 VAL CG2 C 13 22.7 0.2 . 2 . . . . 110 VAL CG2 . 16364 1 1069 . 1 1 87 87 VAL N N 15 121.3 0.2 . 1 . . . . 110 VAL N . 16364 1 1070 . 1 1 88 88 VAL H H 1 8.64 0.02 . 1 . . . . 111 VAL H . 16364 1 1071 . 1 1 88 88 VAL HA H 1 4.59 0.02 . 1 . . . . 111 VAL HA . 16364 1 1072 . 1 1 88 88 VAL HB H 1 1.68 0.02 . 1 . . . . 111 VAL HB . 16364 1 1073 . 1 1 88 88 VAL HG11 H 1 0.73 0.02 . 2 . . . . 111 VAL HG1 . 16364 1 1074 . 1 1 88 88 VAL HG12 H 1 0.73 0.02 . 2 . . . . 111 VAL HG1 . 16364 1 1075 . 1 1 88 88 VAL HG13 H 1 0.73 0.02 . 2 . . . . 111 VAL HG1 . 16364 1 1076 . 1 1 88 88 VAL HG21 H 1 0.73 0.02 . 2 . . . . 111 VAL HG2 . 16364 1 1077 . 1 1 88 88 VAL HG22 H 1 0.73 0.02 . 2 . . . . 111 VAL HG2 . 16364 1 1078 . 1 1 88 88 VAL HG23 H 1 0.73 0.02 . 2 . . . . 111 VAL HG2 . 16364 1 1079 . 1 1 88 88 VAL C C 13 175.7 0.2 . 1 . . . . 111 VAL C . 16364 1 1080 . 1 1 88 88 VAL CA C 13 60.1 0.2 . 1 . . . . 111 VAL CA . 16364 1 1081 . 1 1 88 88 VAL CB C 13 36.2 0.2 . 1 . . . . 111 VAL CB . 16364 1 1082 . 1 1 88 88 VAL CG1 C 13 19.7 0.2 . 2 . . . . 111 VAL CG1 . 16364 1 1083 . 1 1 88 88 VAL CG2 C 13 20.7 0.2 . 2 . . . . 111 VAL CG2 . 16364 1 1084 . 1 1 88 88 VAL N N 15 125.5 0.2 . 1 . . . . 111 VAL N . 16364 1 1085 . 1 1 89 89 ASP H H 1 8.48 0.02 . 1 . . . . 112 ASP H . 16364 1 1086 . 1 1 89 89 ASP HA H 1 4.87 0.02 . 1 . . . . 112 ASP HA . 16364 1 1087 . 1 1 89 89 ASP HB2 H 1 3 0.02 . 2 . . . . 112 ASP HB2 . 16364 1 1088 . 1 1 89 89 ASP HB3 H 1 2.39 0.02 . 2 . . . . 112 ASP HB3 . 16364 1 1089 . 1 1 89 89 ASP C C 13 177.2 0.2 . 1 . . . . 112 ASP C . 16364 1 1090 . 1 1 89 89 ASP CA C 13 54.7 0.2 . 1 . . . . 112 ASP CA . 16364 1 1091 . 1 1 89 89 ASP CB C 13 43.6 0.2 . 1 . . . . 112 ASP CB . 16364 1 1092 . 1 1 89 89 ASP N N 15 126.6 0.2 . 1 . . . . 112 ASP N . 16364 1 1093 . 1 1 90 90 VAL H H 1 7.98 0.02 . 1 . . . . 113 VAL H . 16364 1 1094 . 1 1 90 90 VAL HA H 1 4.54 0.02 . 1 . . . . 113 VAL HA . 16364 1 1095 . 1 1 90 90 VAL HB H 1 2.32 0.02 . 1 . . . . 113 VAL HB . 16364 1 1096 . 1 1 90 90 VAL HG11 H 1 0.6 0.02 . 2 . . . . 113 VAL HG1 . 16364 1 1097 . 1 1 90 90 VAL HG12 H 1 0.6 0.02 . 2 . . . . 113 VAL HG1 . 16364 1 1098 . 1 1 90 90 VAL HG13 H 1 0.6 0.02 . 2 . . . . 113 VAL HG1 . 16364 1 1099 . 1 1 90 90 VAL HG21 H 1 0.4 0.02 . 2 . . . . 113 VAL HG2 . 16364 1 1100 . 1 1 90 90 VAL HG22 H 1 0.4 0.02 . 2 . . . . 113 VAL HG2 . 16364 1 1101 . 1 1 90 90 VAL HG23 H 1 0.4 0.02 . 2 . . . . 113 VAL HG2 . 16364 1 1102 . 1 1 90 90 VAL C C 13 174.4 0.2 . 1 . . . . 113 VAL C . 16364 1 1103 . 1 1 90 90 VAL CA C 13 60.3 0.2 . 1 . . . . 113 VAL CA . 16364 1 1104 . 1 1 90 90 VAL CB C 13 29.5 0.2 . 1 . . . . 113 VAL CB . 16364 1 1105 . 1 1 90 90 VAL CG1 C 13 21.4 0.2 . 2 . . . . 113 VAL CG1 . 16364 1 1106 . 1 1 90 90 VAL CG2 C 13 18.5 0.2 . 2 . . . . 113 VAL CG2 . 16364 1 1107 . 1 1 90 90 VAL N N 15 119.7 0.2 . 1 . . . . 113 VAL N . 16364 1 1108 . 1 1 91 91 GLY H H 1 8.6 0.02 . 1 . . . . 114 GLY H . 16364 1 1109 . 1 1 91 91 GLY HA2 H 1 4.26 0.02 . 2 . . . . 114 GLY HA2 . 16364 1 1110 . 1 1 91 91 GLY HA3 H 1 3.72 0.02 . 2 . . . . 114 GLY HA3 . 16364 1 1111 . 1 1 91 91 GLY C C 13 175.3 0.2 . 1 . . . . 114 GLY C . 16364 1 1112 . 1 1 91 91 GLY CA C 13 45.7 0.2 . 1 . . . . 114 GLY CA . 16364 1 1113 . 1 1 91 91 GLY N N 15 111.3 0.2 . 1 . . . . 114 GLY N . 16364 1 1114 . 1 1 92 92 SER H H 1 9.19 0.02 . 1 . . . . 115 SER H . 16364 1 1115 . 1 1 92 92 SER HA H 1 3.89 0.02 . 1 . . . . 115 SER HA . 16364 1 1116 . 1 1 92 92 SER HB2 H 1 3.39 0.02 . 2 . . . . 115 SER HB2 . 16364 1 1117 . 1 1 92 92 SER HB3 H 1 2.89 0.02 . 2 . . . . 115 SER HB3 . 16364 1 1118 . 1 1 92 92 SER C C 13 174.5 0.2 . 1 . . . . 115 SER C . 16364 1 1119 . 1 1 92 92 SER CA C 13 58.6 0.2 . 1 . . . . 115 SER CA . 16364 1 1120 . 1 1 92 92 SER CB C 13 61.3 0.2 . 1 . . . . 115 SER CB . 16364 1 1121 . 1 1 92 92 SER N N 15 121.0 0.2 . 1 . . . . 115 SER N . 16364 1 1122 . 1 1 93 93 LEU H H 1 7.72 0.02 . 1 . . . . 116 LEU H . 16364 1 1123 . 1 1 93 93 LEU HA H 1 4.25 0.02 . 1 . . . . 116 LEU HA . 16364 1 1124 . 1 1 93 93 LEU HB2 H 1 1.72 0.02 . 2 . . . . 116 LEU HB2 . 16364 1 1125 . 1 1 93 93 LEU HB3 H 1 1.56 0.02 . 2 . . . . 116 LEU HB3 . 16364 1 1126 . 1 1 93 93 LEU HD11 H 1 0.9 0.02 . 2 . . . . 116 LEU HD1 . 16364 1 1127 . 1 1 93 93 LEU HD12 H 1 0.9 0.02 . 2 . . . . 116 LEU HD1 . 16364 1 1128 . 1 1 93 93 LEU HD13 H 1 0.9 0.02 . 2 . . . . 116 LEU HD1 . 16364 1 1129 . 1 1 93 93 LEU HD21 H 1 0.9 0.02 . 2 . . . . 116 LEU HD2 . 16364 1 1130 . 1 1 93 93 LEU HD22 H 1 0.9 0.02 . 2 . . . . 116 LEU HD2 . 16364 1 1131 . 1 1 93 93 LEU HD23 H 1 0.9 0.02 . 2 . . . . 116 LEU HD2 . 16364 1 1132 . 1 1 93 93 LEU HG H 1 1.45 0.02 . 1 . . . . 116 LEU HG . 16364 1 1133 . 1 1 93 93 LEU C C 13 179.1 0.2 . 1 . . . . 116 LEU C . 16364 1 1134 . 1 1 93 93 LEU CA C 13 57.2 0.2 . 1 . . . . 116 LEU CA . 16364 1 1135 . 1 1 93 93 LEU CB C 13 42.1 0.2 . 1 . . . . 116 LEU CB . 16364 1 1136 . 1 1 93 93 LEU CD1 C 13 23.5 0.2 . 2 . . . . 116 LEU CD1 . 16364 1 1137 . 1 1 93 93 LEU CD2 C 13 25.3 0.2 . 2 . . . . 116 LEU CD2 . 16364 1 1138 . 1 1 93 93 LEU CG C 13 27 0.2 . 1 . . . . 116 LEU CG . 16364 1 1139 . 1 1 93 93 LEU N N 15 120.5 0.2 . 1 . . . . 116 LEU N . 16364 1 1140 . 1 1 94 94 ASN H H 1 8.45 0.02 . 1 . . . . 117 ASN H . 16364 1 1141 . 1 1 94 94 ASN HA H 1 4.87 0.02 . 1 . . . . 117 ASN HA . 16364 1 1142 . 1 1 94 94 ASN HB2 H 1 3.13 0.02 . 2 . . . . 117 ASN HB2 . 16364 1 1143 . 1 1 94 94 ASN HB3 H 1 2.93 0.02 . 2 . . . . 117 ASN HB3 . 16364 1 1144 . 1 1 94 94 ASN HD21 H 1 8.03 0.02 . 2 . . . . 117 ASN HD21 . 16364 1 1145 . 1 1 94 94 ASN HD22 H 1 7.41 0.02 . 2 . . . . 117 ASN HD22 . 16364 1 1146 . 1 1 94 94 ASN C C 13 175.8 0.2 . 1 . . . . 117 ASN C . 16364 1 1147 . 1 1 94 94 ASN CA C 13 54 0.2 . 1 . . . . 117 ASN CA . 16364 1 1148 . 1 1 94 94 ASN CB C 13 40.1 0.2 . 1 . . . . 117 ASN CB . 16364 1 1149 . 1 1 94 94 ASN CG C 13 176.9 0.2 . 1 . . . . 117 ASN CG . 16364 1 1150 . 1 1 94 94 ASN N N 15 112.5 0.2 . 1 . . . . 117 ASN N . 16364 1 1151 . 1 1 94 94 ASN ND2 N 15 113.8 0.2 . 1 . . . . 117 ASN ND2 . 16364 1 1152 . 1 1 95 95 GLY H H 1 7.94 0.02 . 1 . . . . 118 GLY H . 16364 1 1153 . 1 1 95 95 GLY HA2 H 1 4.19 0.02 . 2 . . . . 118 GLY HA2 . 16364 1 1154 . 1 1 95 95 GLY HA3 H 1 3.61 0.02 . 2 . . . . 118 GLY HA3 . 16364 1 1155 . 1 1 95 95 GLY C C 13 174 0.2 . 1 . . . . 118 GLY C . 16364 1 1156 . 1 1 95 95 GLY CA C 13 44.3 0.2 . 1 . . . . 118 GLY CA . 16364 1 1157 . 1 1 95 95 GLY N N 15 109.8 0.2 . 1 . . . . 118 GLY N . 16364 1 1158 . 1 1 96 96 THR H H 1 8.94 0.02 . 1 . . . . 119 THR H . 16364 1 1159 . 1 1 96 96 THR HA H 1 3.82 0.02 . 1 . . . . 119 THR HA . 16364 1 1160 . 1 1 96 96 THR HB H 1 3.73 0.02 . 1 . . . . 119 THR HB . 16364 1 1161 . 1 1 96 96 THR HG1 H 1 6.67 0.02 . 1 . . . . 119 THR HG1 . 16364 1 1162 . 1 1 96 96 THR HG21 H 1 0.86 0.02 . 1 . . . . 119 THR HG2 . 16364 1 1163 . 1 1 96 96 THR HG22 H 1 0.86 0.02 . 1 . . . . 119 THR HG2 . 16364 1 1164 . 1 1 96 96 THR HG23 H 1 0.86 0.02 . 1 . . . . 119 THR HG2 . 16364 1 1165 . 1 1 96 96 THR C C 13 172.3 0.2 . 1 . . . . 119 THR C . 16364 1 1166 . 1 1 96 96 THR CA C 13 64.1 0.2 . 1 . . . . 119 THR CA . 16364 1 1167 . 1 1 96 96 THR CB C 13 70.2 0.2 . 1 . . . . 119 THR CB . 16364 1 1168 . 1 1 96 96 THR CG2 C 13 21.2 0.2 . 1 . . . . 119 THR CG2 . 16364 1 1169 . 1 1 96 96 THR N N 15 122.0 0.2 . 1 . . . . 119 THR N . 16364 1 1170 . 1 1 97 97 TYR H H 1 8.22 0.02 . 1 . . . . 120 TYR H . 16364 1 1171 . 1 1 97 97 TYR HA H 1 5.34 0.02 . 1 . . . . 120 TYR HA . 16364 1 1172 . 1 1 97 97 TYR HB2 H 1 2.99 0.02 . 2 . . . . 120 TYR HB2 . 16364 1 1173 . 1 1 97 97 TYR HB3 H 1 2.32 0.02 . 2 . . . . 120 TYR HB3 . 16364 1 1174 . 1 1 97 97 TYR HD1 H 1 6.7 0.02 . 3 . . . . 120 TYR HD1 . 16364 1 1175 . 1 1 97 97 TYR HD2 H 1 6.7 0.02 . 3 . . . . 120 TYR HD2 . 16364 1 1176 . 1 1 97 97 TYR HE1 H 1 6.83 0.02 . 3 . . . . 120 TYR HE1 . 16364 1 1177 . 1 1 97 97 TYR HE2 H 1 6.83 0.02 . 3 . . . . 120 TYR HE2 . 16364 1 1178 . 1 1 97 97 TYR C C 13 175.9 0.2 . 1 . . . . 120 TYR C . 16364 1 1179 . 1 1 97 97 TYR CA C 13 55.6 0.2 . 1 . . . . 120 TYR CA . 16364 1 1180 . 1 1 97 97 TYR CB C 13 41.4 0.2 . 1 . . . . 120 TYR CB . 16364 1 1181 . 1 1 97 97 TYR CD1 C 13 132.7 0.2 . 3 . . . . 120 TYR CD1 . 16364 1 1182 . 1 1 97 97 TYR CD2 C 13 132.7 0.2 . 3 . . . . 120 TYR CD2 . 16364 1 1183 . 1 1 97 97 TYR CE1 C 13 117.9 0.2 . 3 . . . . 120 TYR CE1 . 16364 1 1184 . 1 1 97 97 TYR CE2 C 13 117.9 0.2 . 3 . . . . 120 TYR CE2 . 16364 1 1185 . 1 1 97 97 TYR N N 15 122.8 0.2 . 1 . . . . 120 TYR N . 16364 1 1186 . 1 1 98 98 VAL H H 1 9.04 0.02 . 1 . . . . 121 VAL H . 16364 1 1187 . 1 1 98 98 VAL HA H 1 5.01 0.02 . 1 . . . . 121 VAL HA . 16364 1 1188 . 1 1 98 98 VAL HB H 1 1.75 0.02 . 1 . . . . 121 VAL HB . 16364 1 1189 . 1 1 98 98 VAL HG11 H 1 0.75 0.02 . 2 . . . . 121 VAL HG1 . 16364 1 1190 . 1 1 98 98 VAL HG12 H 1 0.75 0.02 . 2 . . . . 121 VAL HG1 . 16364 1 1191 . 1 1 98 98 VAL HG13 H 1 0.75 0.02 . 2 . . . . 121 VAL HG1 . 16364 1 1192 . 1 1 98 98 VAL HG21 H 1 0.77 0.02 . 2 . . . . 121 VAL HG2 . 16364 1 1193 . 1 1 98 98 VAL HG22 H 1 0.77 0.02 . 2 . . . . 121 VAL HG2 . 16364 1 1194 . 1 1 98 98 VAL HG23 H 1 0.77 0.02 . 2 . . . . 121 VAL HG2 . 16364 1 1195 . 1 1 98 98 VAL C C 13 176.9 0.2 . 1 . . . . 121 VAL C . 16364 1 1196 . 1 1 98 98 VAL CA C 13 61.1 0.2 . 1 . . . . 121 VAL CA . 16364 1 1197 . 1 1 98 98 VAL CB C 13 33.0 0.2 . 1 . . . . 121 VAL CB . 16364 1 1198 . 1 1 98 98 VAL CG1 C 13 23.4 0.2 . 2 . . . . 121 VAL CG1 . 16364 1 1199 . 1 1 98 98 VAL CG2 C 13 21.1 0.2 . 2 . . . . 121 VAL CG2 . 16364 1 1200 . 1 1 98 98 VAL N N 15 121.4 0.2 . 1 . . . . 121 VAL N . 16364 1 1201 . 1 1 99 99 ASN H H 1 10.1 0.02 . 1 . . . . 122 ASN H . 16364 1 1202 . 1 1 99 99 ASN HA H 1 4.44 0.02 . 1 . . . . 122 ASN HA . 16364 1 1203 . 1 1 99 99 ASN HB2 H 1 3.02 0.02 . 2 . . . . 122 ASN HB2 . 16364 1 1204 . 1 1 99 99 ASN HB3 H 1 2.88 0.02 . 2 . . . . 122 ASN HB3 . 16364 1 1205 . 1 1 99 99 ASN HD21 H 1 7.49 0.02 . 2 . . . . 122 ASN HD21 . 16364 1 1206 . 1 1 99 99 ASN HD22 H 1 7.87 0.02 . 2 . . . . 122 ASN HD22 . 16364 1 1207 . 1 1 99 99 ASN C C 13 174.5 0.2 . 1 . . . . 122 ASN C . 16364 1 1208 . 1 1 99 99 ASN CA C 13 55.0 0.2 . 1 . . . . 122 ASN CA . 16364 1 1209 . 1 1 99 99 ASN CB C 13 37.0 0.2 . 1 . . . . 122 ASN CB . 16364 1 1210 . 1 1 99 99 ASN CG C 13 175.9 0.2 . 1 . . . . 122 ASN CG . 16364 1 1211 . 1 1 99 99 ASN N N 15 129.4 0.2 . 1 . . . . 122 ASN N . 16364 1 1212 . 1 1 99 99 ASN ND2 N 15 117.3 0.2 . 1 . . . . 122 ASN ND2 . 16364 1 1213 . 1 1 100 100 ARG H H 1 9.29 0.02 . 1 . . . . 123 ARG H . 16364 1 1214 . 1 1 100 100 ARG HA H 1 3.68 0.02 . 1 . . . . 123 ARG HA . 16364 1 1215 . 1 1 100 100 ARG HB2 H 1 1.58 0.02 . 2 . . . . 123 ARG HB2 . 16364 1 1216 . 1 1 100 100 ARG HB3 H 1 1.48 0.02 . 2 . . . . 123 ARG HB3 . 16364 1 1217 . 1 1 100 100 ARG HD2 H 1 3.15 0.02 . 2 . . . . 123 ARG HD2 . 16364 1 1218 . 1 1 100 100 ARG HD3 H 1 3.09 0.02 . 2 . . . . 123 ARG HD3 . 16364 1 1219 . 1 1 100 100 ARG HE H 1 7.62 0.02 . 1 . . . . 123 ARG HE . 16364 1 1220 . 1 1 100 100 ARG HG2 H 1 2.01 0.02 . 2 . . . . 123 ARG HG2 . 16364 1 1221 . 1 1 100 100 ARG HG3 H 1 2.34 0.02 . 2 . . . . 123 ARG HG3 . 16364 1 1222 . 1 1 100 100 ARG C C 13 175.2 0.2 . 1 . . . . 123 ARG C . 16364 1 1223 . 1 1 100 100 ARG CA C 13 58.1 0.2 . 1 . . . . 123 ARG CA . 16364 1 1224 . 1 1 100 100 ARG CB C 13 27.6 0.2 . 1 . . . . 123 ARG CB . 16364 1 1225 . 1 1 100 100 ARG CD C 13 42.9 0.2 . 1 . . . . 123 ARG CD . 16364 1 1226 . 1 1 100 100 ARG CG C 13 27.1 0.2 . 1 . . . . 123 ARG CG . 16364 1 1227 . 1 1 100 100 ARG N N 15 106.1 0.2 . 1 . . . . 123 ARG N . 16364 1 1228 . 1 1 100 100 ARG NE N 15 85.1 0.2 . 1 . . . . 123 ARG NE . 16364 1 1229 . 1 1 101 101 GLU H H 1 7.97 0.02 . 1 . . . . 124 GLU H . 16364 1 1230 . 1 1 101 101 GLU HA H 1 5.11 0.02 . 1 . . . . 124 GLU HA . 16364 1 1231 . 1 1 101 101 GLU HB2 H 1 2.1 0.02 . 2 . . . . 124 GLU HB2 . 16364 1 1232 . 1 1 101 101 GLU HB3 H 1 1.92 0.02 . 2 . . . . 124 GLU HB3 . 16364 1 1233 . 1 1 101 101 GLU HG2 H 1 2.38 0.02 . 2 . . . . 124 GLU HG2 . 16364 1 1234 . 1 1 101 101 GLU HG3 H 1 2.26 0.02 . 2 . . . . 124 GLU HG3 . 16364 1 1235 . 1 1 101 101 GLU CA C 13 53.0 0.2 . 1 . . . . 124 GLU CA . 16364 1 1236 . 1 1 101 101 GLU CB C 13 30.9 0.2 . 1 . . . . 124 GLU CB . 16364 1 1237 . 1 1 101 101 GLU CG C 13 35.3 0.2 . 1 . . . . 124 GLU CG . 16364 1 1238 . 1 1 101 101 GLU N N 15 121.3 0.2 . 1 . . . . 124 GLU N . 16364 1 1239 . 1 1 102 102 PRO HA H 1 4.05 0.02 . 1 . . . . 125 PRO HA . 16364 1 1240 . 1 1 102 102 PRO HB2 H 1 1.71 0.02 . 2 . . . . 125 PRO HB2 . 16364 1 1241 . 1 1 102 102 PRO HB3 H 1 1.62 0.02 . 2 . . . . 125 PRO HB3 . 16364 1 1242 . 1 1 102 102 PRO HD2 H 1 3.96 0.02 . 2 . . . . 125 PRO HD2 . 16364 1 1243 . 1 1 102 102 PRO HD3 H 1 3.86 0.02 . 2 . . . . 125 PRO HD3 . 16364 1 1244 . 1 1 102 102 PRO HG2 H 1 2.19 0.02 . 2 . . . . 125 PRO HG2 . 16364 1 1245 . 1 1 102 102 PRO HG3 H 1 2.05 0.02 . 2 . . . . 125 PRO HG3 . 16364 1 1246 . 1 1 102 102 PRO C C 13 177.5 0.2 . 1 . . . . 125 PRO C . 16364 1 1247 . 1 1 102 102 PRO CA C 13 62.3 0.2 . 1 . . . . 125 PRO CA . 16364 1 1248 . 1 1 102 102 PRO CB C 13 31.3 0.2 . 1 . . . . 125 PRO CB . 16364 1 1249 . 1 1 102 102 PRO CD C 13 50.4 0.2 . 1 . . . . 125 PRO CD . 16364 1 1250 . 1 1 102 102 PRO CG C 13 27.2 0.2 . 1 . . . . 125 PRO CG . 16364 1 1251 . 1 1 103 103 VAL H H 1 8.33 0.02 . 1 . . . . 126 VAL H . 16364 1 1252 . 1 1 103 103 VAL HA H 1 4.7 0.02 . 1 . . . . 126 VAL HA . 16364 1 1253 . 1 1 103 103 VAL HB H 1 1.89 0.02 . 1 . . . . 126 VAL HB . 16364 1 1254 . 1 1 103 103 VAL HG11 H 1 0.83 0.02 . 2 . . . . 126 VAL HG1 . 16364 1 1255 . 1 1 103 103 VAL HG12 H 1 0.83 0.02 . 2 . . . . 126 VAL HG1 . 16364 1 1256 . 1 1 103 103 VAL HG13 H 1 0.83 0.02 . 2 . . . . 126 VAL HG1 . 16364 1 1257 . 1 1 103 103 VAL HG21 H 1 0.45 0.02 . 2 . . . . 126 VAL HG2 . 16364 1 1258 . 1 1 103 103 VAL HG22 H 1 0.45 0.02 . 2 . . . . 126 VAL HG2 . 16364 1 1259 . 1 1 103 103 VAL HG23 H 1 0.45 0.02 . 2 . . . . 126 VAL HG2 . 16364 1 1260 . 1 1 103 103 VAL C C 13 174.5 0.2 . 1 . . . . 126 VAL C . 16364 1 1261 . 1 1 103 103 VAL CA C 13 58.9 0.2 . 1 . . . . 126 VAL CA . 16364 1 1262 . 1 1 103 103 VAL CB C 13 35.3 0.2 . 1 . . . . 126 VAL CB . 16364 1 1263 . 1 1 103 103 VAL CG1 C 13 21.8 0.2 . 2 . . . . 126 VAL CG1 . 16364 1 1264 . 1 1 103 103 VAL CG2 C 13 18.3 0.2 . 2 . . . . 126 VAL CG2 . 16364 1 1265 . 1 1 103 103 VAL N N 15 115 0.2 . 1 . . . . 126 VAL N . 16364 1 1266 . 1 1 104 104 ASP H H 1 8.52 0.02 . 1 . . . . 127 ASP H . 16364 1 1267 . 1 1 104 104 ASP HA H 1 4.78 0.02 . 1 . . . . 127 ASP HA . 16364 1 1268 . 1 1 104 104 ASP HB2 H 1 2.76 0.02 . 2 . . . . 127 ASP HB2 . 16364 1 1269 . 1 1 104 104 ASP HB3 H 1 2.64 0.02 . 2 . . . . 127 ASP HB3 . 16364 1 1270 . 1 1 104 104 ASP C C 13 176.2 0.2 . 1 . . . . 127 ASP C . 16364 1 1271 . 1 1 104 104 ASP CA C 13 55.8 0.2 . 1 . . . . 127 ASP CA . 16364 1 1272 . 1 1 104 104 ASP CB C 13 41.1 0.2 . 1 . . . . 127 ASP CB . 16364 1 1273 . 1 1 104 104 ASP N N 15 120.8 0.2 . 1 . . . . 127 ASP N . 16364 1 1274 . 1 1 105 105 SER H H 1 7.65 0.02 . 1 . . . . 128 SER H . 16364 1 1275 . 1 1 105 105 SER HA H 1 5.44 0.02 . 1 . . . . 128 SER HA . 16364 1 1276 . 1 1 105 105 SER HB2 H 1 3.75 0.02 . 2 . . . . 128 SER HB2 . 16364 1 1277 . 1 1 105 105 SER HB3 H 1 3.75 0.02 . 2 . . . . 128 SER HB3 . 16364 1 1278 . 1 1 105 105 SER C C 13 173.4 0.2 . 1 . . . . 128 SER C . 16364 1 1279 . 1 1 105 105 SER CA C 13 56.6 0.2 . 1 . . . . 128 SER CA . 16364 1 1280 . 1 1 105 105 SER CB C 13 65 0.2 . 1 . . . . 128 SER CB . 16364 1 1281 . 1 1 105 105 SER N N 15 111.5 0.2 . 1 . . . . 128 SER N . 16364 1 1282 . 1 1 106 106 ALA H H 1 8.79 0.02 . 1 . . . . 129 ALA H . 16364 1 1283 . 1 1 106 106 ALA HA H 1 4.61 0.02 . 1 . . . . 129 ALA HA . 16364 1 1284 . 1 1 106 106 ALA HB1 H 1 1.26 0.02 . 1 . . . . 129 ALA HB . 16364 1 1285 . 1 1 106 106 ALA HB2 H 1 1.26 0.02 . 1 . . . . 129 ALA HB . 16364 1 1286 . 1 1 106 106 ALA HB3 H 1 1.26 0.02 . 1 . . . . 129 ALA HB . 16364 1 1287 . 1 1 106 106 ALA C C 13 175.3 0.2 . 1 . . . . 129 ALA C . 16364 1 1288 . 1 1 106 106 ALA CA C 13 52.1 0.2 . 1 . . . . 129 ALA CA . 16364 1 1289 . 1 1 106 106 ALA CB C 13 22.6 0.2 . 1 . . . . 129 ALA CB . 16364 1 1290 . 1 1 106 106 ALA N N 15 125.1 0.2 . 1 . . . . 129 ALA N . 16364 1 1291 . 1 1 107 107 VAL H H 1 8.34 0.02 . 1 . . . . 130 VAL H . 16364 1 1292 . 1 1 107 107 VAL HA H 1 4.16 0.02 . 1 . . . . 130 VAL HA . 16364 1 1293 . 1 1 107 107 VAL HB H 1 1.86 0.02 . 1 . . . . 130 VAL HB . 16364 1 1294 . 1 1 107 107 VAL HG11 H 1 0.87 0.02 . 2 . . . . 130 VAL HG1 . 16364 1 1295 . 1 1 107 107 VAL HG12 H 1 0.87 0.02 . 2 . . . . 130 VAL HG1 . 16364 1 1296 . 1 1 107 107 VAL HG13 H 1 0.87 0.02 . 2 . . . . 130 VAL HG1 . 16364 1 1297 . 1 1 107 107 VAL HG21 H 1 0.93 0.02 . 2 . . . . 130 VAL HG2 . 16364 1 1298 . 1 1 107 107 VAL HG22 H 1 0.93 0.02 . 2 . . . . 130 VAL HG2 . 16364 1 1299 . 1 1 107 107 VAL HG23 H 1 0.93 0.02 . 2 . . . . 130 VAL HG2 . 16364 1 1300 . 1 1 107 107 VAL C C 13 176.3 0.2 . 1 . . . . 130 VAL C . 16364 1 1301 . 1 1 107 107 VAL CA C 13 62.6 0.2 . 1 . . . . 130 VAL CA . 16364 1 1302 . 1 1 107 107 VAL CB C 13 32.0 0.2 . 1 . . . . 130 VAL CB . 16364 1 1303 . 1 1 107 107 VAL CG1 C 13 21.3 0.2 . 2 . . . . 130 VAL CG1 . 16364 1 1304 . 1 1 107 107 VAL CG2 C 13 21.8 0.2 . 2 . . . . 130 VAL CG2 . 16364 1 1305 . 1 1 107 107 VAL N N 15 122.8 0.2 . 1 . . . . 130 VAL N . 16364 1 1306 . 1 1 108 108 LEU H H 1 8.49 0.02 . 1 . . . . 131 LEU H . 16364 1 1307 . 1 1 108 108 LEU HA H 1 4.37 0.02 . 1 . . . . 131 LEU HA . 16364 1 1308 . 1 1 108 108 LEU HB2 H 1 0.64 0.02 . 2 . . . . 131 LEU HB2 . 16364 1 1309 . 1 1 108 108 LEU HB3 H 1 0.1 0.02 . 2 . . . . 131 LEU HB3 . 16364 1 1310 . 1 1 108 108 LEU HD11 H 1 0.38 0.02 . 2 . . . . 131 LEU HD1 . 16364 1 1311 . 1 1 108 108 LEU HD12 H 1 0.38 0.02 . 2 . . . . 131 LEU HD1 . 16364 1 1312 . 1 1 108 108 LEU HD13 H 1 0.38 0.02 . 2 . . . . 131 LEU HD1 . 16364 1 1313 . 1 1 108 108 LEU HD21 H 1 0.65 0.02 . 2 . . . . 131 LEU HD2 . 16364 1 1314 . 1 1 108 108 LEU HD22 H 1 0.65 0.02 . 2 . . . . 131 LEU HD2 . 16364 1 1315 . 1 1 108 108 LEU HD23 H 1 0.65 0.02 . 2 . . . . 131 LEU HD2 . 16364 1 1316 . 1 1 108 108 LEU HG H 1 1.38 0.02 . 1 . . . . 131 LEU HG . 16364 1 1317 . 1 1 108 108 LEU C C 13 175.2 0.2 . 1 . . . . 131 LEU C . 16364 1 1318 . 1 1 108 108 LEU CA C 13 54.2 0.2 . 1 . . . . 131 LEU CA . 16364 1 1319 . 1 1 108 108 LEU CB C 13 43 0.2 . 1 . . . . 131 LEU CB . 16364 1 1320 . 1 1 108 108 LEU CD1 C 13 26.4 0.2 . 2 . . . . 131 LEU CD1 . 16364 1 1321 . 1 1 108 108 LEU CD2 C 13 23.8 0.2 . 2 . . . . 131 LEU CD2 . 16364 1 1322 . 1 1 108 108 LEU CG C 13 26.3 0.2 . 1 . . . . 131 LEU CG . 16364 1 1323 . 1 1 108 108 LEU N N 15 128.9 0.2 . 1 . . . . 131 LEU N . 16364 1 1324 . 1 1 109 109 ALA H H 1 9.13 0.02 . 1 . . . . 132 ALA H . 16364 1 1325 . 1 1 109 109 ALA HA H 1 4.75 0.02 . 1 . . . . 132 ALA HA . 16364 1 1326 . 1 1 109 109 ALA HB1 H 1 1.42 0.02 . 1 . . . . 132 ALA HB . 16364 1 1327 . 1 1 109 109 ALA HB2 H 1 1.42 0.02 . 1 . . . . 132 ALA HB . 16364 1 1328 . 1 1 109 109 ALA HB3 H 1 1.42 0.02 . 1 . . . . 132 ALA HB . 16364 1 1329 . 1 1 109 109 ALA C C 13 176.5 0.2 . 1 . . . . 132 ALA C . 16364 1 1330 . 1 1 109 109 ALA CA C 13 49.7 0.2 . 1 . . . . 132 ALA CA . 16364 1 1331 . 1 1 109 109 ALA CB C 13 22.4 0.2 . 1 . . . . 132 ALA CB . 16364 1 1332 . 1 1 109 109 ALA N N 15 126 0.2 . 1 . . . . 132 ALA N . 16364 1 1333 . 1 1 110 110 ASN H H 1 8.86 0.02 . 1 . . . . 133 ASN H . 16364 1 1334 . 1 1 110 110 ASN HA H 1 4.43 0.02 . 1 . . . . 133 ASN HA . 16364 1 1335 . 1 1 110 110 ASN HB2 H 1 2.94 0.02 . 2 . . . . 133 ASN HB2 . 16364 1 1336 . 1 1 110 110 ASN HB3 H 1 2.72 0.02 . 2 . . . . 133 ASN HB3 . 16364 1 1337 . 1 1 110 110 ASN HD21 H 1 7.58 0.02 . 2 . . . . 133 ASN HD21 . 16364 1 1338 . 1 1 110 110 ASN HD22 H 1 6.76 0.02 . 2 . . . . 133 ASN HD22 . 16364 1 1339 . 1 1 110 110 ASN C C 13 176.4 0.2 . 1 . . . . 133 ASN C . 16364 1 1340 . 1 1 110 110 ASN CA C 13 56.4 0.2 . 1 . . . . 133 ASN CA . 16364 1 1341 . 1 1 110 110 ASN CB C 13 39.8 0.2 . 1 . . . . 133 ASN CB . 16364 1 1342 . 1 1 110 110 ASN CG C 13 175.5 0.2 . 1 . . . . 133 ASN CG . 16364 1 1343 . 1 1 110 110 ASN N N 15 117.6 0.2 . 1 . . . . 133 ASN N . 16364 1 1344 . 1 1 110 110 ASN ND2 N 15 113.4 0.2 . 1 . . . . 133 ASN ND2 . 16364 1 1345 . 1 1 111 111 GLY H H 1 10.1 0.02 . 1 . . . . 134 GLY H . 16364 1 1346 . 1 1 111 111 GLY HA2 H 1 4.43 0.02 . 2 . . . . 134 GLY HA2 . 16364 1 1347 . 1 1 111 111 GLY HA3 H 1 3.41 0.02 . 2 . . . . 134 GLY HA3 . 16364 1 1348 . 1 1 111 111 GLY C C 13 174.8 0.2 . 1 . . . . 134 GLY C . 16364 1 1349 . 1 1 111 111 GLY CA C 13 45.1 0.2 . 1 . . . . 134 GLY CA . 16364 1 1350 . 1 1 111 111 GLY N N 15 117.2 0.2 . 1 . . . . 134 GLY N . 16364 1 1351 . 1 1 112 112 ASP H H 1 8.64 0.02 . 1 . . . . 135 ASP H . 16364 1 1352 . 1 1 112 112 ASP HA H 1 4.43 0.02 . 1 . . . . 135 ASP HA . 16364 1 1353 . 1 1 112 112 ASP HB2 H 1 2.84 0.02 . 2 . . . . 135 ASP HB2 . 16364 1 1354 . 1 1 112 112 ASP HB3 H 1 2.36 0.02 . 2 . . . . 135 ASP HB3 . 16364 1 1355 . 1 1 112 112 ASP C C 13 174.7 0.2 . 1 . . . . 135 ASP C . 16364 1 1356 . 1 1 112 112 ASP CA C 13 56.2 0.2 . 1 . . . . 135 ASP CA . 16364 1 1357 . 1 1 112 112 ASP CB C 13 42.1 0.2 . 1 . . . . 135 ASP CB . 16364 1 1358 . 1 1 112 112 ASP N N 15 122.9 0.2 . 1 . . . . 135 ASP N . 16364 1 1359 . 1 1 113 113 GLU H H 1 8.36 0.02 . 1 . . . . 136 GLU H . 16364 1 1360 . 1 1 113 113 GLU HA H 1 5.22 0.02 . 1 . . . . 136 GLU HA . 16364 1 1361 . 1 1 113 113 GLU HB2 H 1 2.13 0.02 . 2 . . . . 136 GLU HB2 . 16364 1 1362 . 1 1 113 113 GLU HB3 H 1 2.02 0.02 . 2 . . . . 136 GLU HB3 . 16364 1 1363 . 1 1 113 113 GLU HG2 H 1 2.26 0.02 . 2 . . . . 136 GLU HG2 . 16364 1 1364 . 1 1 113 113 GLU HG3 H 1 1.95 0.02 . 2 . . . . 136 GLU HG3 . 16364 1 1365 . 1 1 113 113 GLU C C 13 176 0.2 . 1 . . . . 136 GLU C . 16364 1 1366 . 1 1 113 113 GLU CA C 13 54.4 0.2 . 1 . . . . 136 GLU CA . 16364 1 1367 . 1 1 113 113 GLU CB C 13 32.9 0.2 . 1 . . . . 136 GLU CB . 16364 1 1368 . 1 1 113 113 GLU CG C 13 38.1 0.2 . 1 . . . . 136 GLU CG . 16364 1 1369 . 1 1 113 113 GLU N N 15 119 0.2 . 1 . . . . 136 GLU N . 16364 1 1370 . 1 1 114 114 VAL H H 1 9.80 0.02 . 1 . . . . 137 VAL H . 16364 1 1371 . 1 1 114 114 VAL HA H 1 5.16 0.02 . 1 . . . . 137 VAL HA . 16364 1 1372 . 1 1 114 114 VAL HB H 1 2.03 0.02 . 1 . . . . 137 VAL HB . 16364 1 1373 . 1 1 114 114 VAL HG11 H 1 0.95 0.02 . 2 . . . . 137 VAL HG1 . 16364 1 1374 . 1 1 114 114 VAL HG12 H 1 0.95 0.02 . 2 . . . . 137 VAL HG1 . 16364 1 1375 . 1 1 114 114 VAL HG13 H 1 0.95 0.02 . 2 . . . . 137 VAL HG1 . 16364 1 1376 . 1 1 114 114 VAL HG21 H 1 0.98 0.02 . 2 . . . . 137 VAL HG2 . 16364 1 1377 . 1 1 114 114 VAL HG22 H 1 0.98 0.02 . 2 . . . . 137 VAL HG2 . 16364 1 1378 . 1 1 114 114 VAL HG23 H 1 0.98 0.02 . 2 . . . . 137 VAL HG2 . 16364 1 1379 . 1 1 114 114 VAL C C 13 174.4 0.2 . 1 . . . . 137 VAL C . 16364 1 1380 . 1 1 114 114 VAL CA C 13 60.4 0.2 . 1 . . . . 137 VAL CA . 16364 1 1381 . 1 1 114 114 VAL CB C 13 34.3 0.2 . 1 . . . . 137 VAL CB . 16364 1 1382 . 1 1 114 114 VAL CG1 C 13 22.6 0.2 . 2 . . . . 137 VAL CG1 . 16364 1 1383 . 1 1 114 114 VAL CG2 C 13 21.7 0.2 . 2 . . . . 137 VAL CG2 . 16364 1 1384 . 1 1 114 114 VAL N N 15 129 0.2 . 1 . . . . 137 VAL N . 16364 1 1385 . 1 1 115 115 GLN H H 1 9.61 0.02 . 1 . . . . 138 GLN H . 16364 1 1386 . 1 1 115 115 GLN HA H 1 5.43 0.02 . 1 . . . . 138 GLN HA . 16364 1 1387 . 1 1 115 115 GLN HB2 H 1 2.12 0.02 . 2 . . . . 138 GLN HB2 . 16364 1 1388 . 1 1 115 115 GLN HB3 H 1 1.91 0.02 . 2 . . . . 138 GLN HB3 . 16364 1 1389 . 1 1 115 115 GLN HE21 H 1 7.59 0.02 . 2 . . . . 138 GLN HE21 . 16364 1 1390 . 1 1 115 115 GLN HE22 H 1 6.9 0.02 . 2 . . . . 138 GLN HE22 . 16364 1 1391 . 1 1 115 115 GLN HG2 H 1 2.37 0.02 . 2 . . . . 138 GLN HG2 . 16364 1 1392 . 1 1 115 115 GLN HG3 H 1 2.32 0.02 . 2 . . . . 138 GLN HG3 . 16364 1 1393 . 1 1 115 115 GLN C C 13 174.8 0.2 . 1 . . . . 138 GLN C . 16364 1 1394 . 1 1 115 115 GLN CA C 13 54.5 0.2 . 1 . . . . 138 GLN CA . 16364 1 1395 . 1 1 115 115 GLN CB C 13 30.7 0.2 . 1 . . . . 138 GLN CB . 16364 1 1396 . 1 1 115 115 GLN CD C 13 180.1 0.2 . 1 . . . . 138 GLN CD . 16364 1 1397 . 1 1 115 115 GLN CG C 13 32.9 0.2 . 1 . . . . 138 GLN CG . 16364 1 1398 . 1 1 115 115 GLN N N 15 129.3 0.2 . 1 . . . . 138 GLN N . 16364 1 1399 . 1 1 116 116 ILE H H 1 8.4 0.02 . 1 . . . . 139 ILE H . 16364 1 1400 . 1 1 116 116 ILE HA H 1 4.02 0.02 . 1 . . . . 139 ILE HA . 16364 1 1401 . 1 1 116 116 ILE HB H 1 1.28 0.02 . 1 . . . . 139 ILE HB . 16364 1 1402 . 1 1 116 116 ILE HD11 H 1 0.55 0.02 . 1 . . . . 139 ILE HD1 . 16364 1 1403 . 1 1 116 116 ILE HD12 H 1 0.55 0.02 . 1 . . . . 139 ILE HD1 . 16364 1 1404 . 1 1 116 116 ILE HD13 H 1 0.55 0.02 . 1 . . . . 139 ILE HD1 . 16364 1 1405 . 1 1 116 116 ILE HG12 H 1 1.41 0.02 . 2 . . . . 139 ILE HG12 . 16364 1 1406 . 1 1 116 116 ILE HG13 H 1 0.81 0.02 . 2 . . . . 139 ILE HG13 . 16364 1 1407 . 1 1 116 116 ILE HG21 H 1 -0.11 0.02 . 1 . . . . 139 ILE HG2 . 16364 1 1408 . 1 1 116 116 ILE HG22 H 1 -0.11 0.02 . 1 . . . . 139 ILE HG2 . 16364 1 1409 . 1 1 116 116 ILE HG23 H 1 -0.11 0.02 . 1 . . . . 139 ILE HG2 . 16364 1 1410 . 1 1 116 116 ILE C C 13 174.5 0.2 . 1 . . . . 139 ILE C . 16364 1 1411 . 1 1 116 116 ILE CA C 13 60.6 0.2 . 1 . . . . 139 ILE CA . 16364 1 1412 . 1 1 116 116 ILE CB C 13 40.9 0.2 . 1 . . . . 139 ILE CB . 16364 1 1413 . 1 1 116 116 ILE CD1 C 13 13.6 0.2 . 1 . . . . 139 ILE CD1 . 16364 1 1414 . 1 1 116 116 ILE CG1 C 13 27.4 0.2 . 1 . . . . 139 ILE CG1 . 16364 1 1415 . 1 1 116 116 ILE CG2 C 13 15.3 0.2 . 1 . . . . 139 ILE CG2 . 16364 1 1416 . 1 1 116 116 ILE N N 15 128.3 0.2 . 1 . . . . 139 ILE N . 16364 1 1417 . 1 1 117 117 GLY H H 1 9.65 0.02 . 1 . . . . 140 GLY H . 16364 1 1418 . 1 1 117 117 GLY HA2 H 1 3.82 0.02 . 2 . . . . 140 GLY HA2 . 16364 1 1419 . 1 1 117 117 GLY HA3 H 1 3.63 0.02 . 2 . . . . 140 GLY HA3 . 16364 1 1420 . 1 1 117 117 GLY C C 13 175.4 0.2 . 1 . . . . 140 GLY C . 16364 1 1421 . 1 1 117 117 GLY CA C 13 46.5 0.2 . 1 . . . . 140 GLY CA . 16364 1 1422 . 1 1 117 117 GLY N N 15 116.8 0.2 . 1 . . . . 140 GLY N . 16364 1 1423 . 1 1 118 118 LYS H H 1 7.96 0.02 . 1 . . . . 141 LYS H . 16364 1 1424 . 1 1 118 118 LYS HA H 1 4.07 0.02 . 1 . . . . 141 LYS HA . 16364 1 1425 . 1 1 118 118 LYS HB2 H 1 1.46 0.02 . 2 . . . . 141 LYS HB2 . 16364 1 1426 . 1 1 118 118 LYS HB3 H 1 1.46 0.02 . 2 . . . . 141 LYS HB3 . 16364 1 1427 . 1 1 118 118 LYS HD2 H 1 1.4 0.02 . 2 . . . . 141 LYS HD2 . 16364 1 1428 . 1 1 118 118 LYS HD3 H 1 1.29 0.02 . 2 . . . . 141 LYS HD3 . 16364 1 1429 . 1 1 118 118 LYS HE2 H 1 2.69 0.02 . 2 . . . . 141 LYS HE2 . 16364 1 1430 . 1 1 118 118 LYS HE3 H 1 2.63 0.02 . 2 . . . . 141 LYS HE3 . 16364 1 1431 . 1 1 118 118 LYS HG2 H 1 0.94 0.02 . 2 . . . . 141 LYS HG2 . 16364 1 1432 . 1 1 118 118 LYS HG3 H 1 0.64 0.02 . 2 . . . . 141 LYS HG3 . 16364 1 1433 . 1 1 118 118 LYS C C 13 175.6 0.2 . 1 . . . . 141 LYS C . 16364 1 1434 . 1 1 118 118 LYS CA C 13 56.7 0.2 . 1 . . . . 141 LYS CA . 16364 1 1435 . 1 1 118 118 LYS CB C 13 32.6 0.2 . 1 . . . . 141 LYS CB . 16364 1 1436 . 1 1 118 118 LYS CD C 13 29.3 0.2 . 1 . . . . 141 LYS CD . 16364 1 1437 . 1 1 118 118 LYS CE C 13 41.2 0.2 . 1 . . . . 141 LYS CE . 16364 1 1438 . 1 1 118 118 LYS CG C 13 24.1 0.2 . 1 . . . . 141 LYS CG . 16364 1 1439 . 1 1 118 118 LYS N N 15 122.4 0.2 . 1 . . . . 141 LYS N . 16364 1 1440 . 1 1 119 119 PHE H H 1 8.26 0.02 . 1 . . . . 142 PHE H . 16364 1 1441 . 1 1 119 119 PHE HA H 1 4.54 0.02 . 1 . . . . 142 PHE HA . 16364 1 1442 . 1 1 119 119 PHE HB2 H 1 3.42 0.02 . 2 . . . . 142 PHE HB2 . 16364 1 1443 . 1 1 119 119 PHE HB3 H 1 2.59 0.02 . 2 . . . . 142 PHE HB3 . 16364 1 1444 . 1 1 119 119 PHE HD1 H 1 7.36 0.02 . 3 . . . . 142 PHE HD1 . 16364 1 1445 . 1 1 119 119 PHE HD2 H 1 7.36 0.02 . 3 . . . . 142 PHE HD2 . 16364 1 1446 . 1 1 119 119 PHE HE1 H 1 7.16 0.02 . 3 . . . . 142 PHE HE1 . 16364 1 1447 . 1 1 119 119 PHE HE2 H 1 7.16 0.02 . 3 . . . . 142 PHE HE2 . 16364 1 1448 . 1 1 119 119 PHE HZ H 1 6.44 0.02 . 1 . . . . 142 PHE HZ . 16364 1 1449 . 1 1 119 119 PHE C C 13 174.7 0.2 . 1 . . . . 142 PHE C . 16364 1 1450 . 1 1 119 119 PHE CA C 13 58.2 0.2 . 1 . . . . 142 PHE CA . 16364 1 1451 . 1 1 119 119 PHE CB C 13 39.9 0.2 . 1 . . . . 142 PHE CB . 16364 1 1452 . 1 1 119 119 PHE CD1 C 13 132.8 0.2 . 3 . . . . 142 PHE CD1 . 16364 1 1453 . 1 1 119 119 PHE CD2 C 13 132.8 0.2 . 3 . . . . 142 PHE CD2 . 16364 1 1454 . 1 1 119 119 PHE CE1 C 13 131.9 0.2 . 3 . . . . 142 PHE CE1 . 16364 1 1455 . 1 1 119 119 PHE CE2 C 13 131.9 0.2 . 3 . . . . 142 PHE CE2 . 16364 1 1456 . 1 1 119 119 PHE N N 15 119.5 0.2 . 1 . . . . 142 PHE N . 16364 1 1457 . 1 1 120 120 ARG H H 1 8.69 0.02 . 1 . . . . 143 ARG H . 16364 1 1458 . 1 1 120 120 ARG HA H 1 5.02 0.02 . 1 . . . . 143 ARG HA . 16364 1 1459 . 1 1 120 120 ARG HB2 H 1 1.74 0.02 . 2 . . . . 143 ARG HB2 . 16364 1 1460 . 1 1 120 120 ARG HB3 H 1 1.67 0.02 . 2 . . . . 143 ARG HB3 . 16364 1 1461 . 1 1 120 120 ARG HD2 H 1 3.13 0.02 . 2 . . . . 143 ARG HD2 . 16364 1 1462 . 1 1 120 120 ARG HD3 H 1 3.13 0.02 . 2 . . . . 143 ARG HD3 . 16364 1 1463 . 1 1 120 120 ARG HG2 H 1 1.51 0.02 . 2 . . . . 143 ARG HG2 . 16364 1 1464 . 1 1 120 120 ARG HG3 H 1 1.37 0.02 . 2 . . . . 143 ARG HG3 . 16364 1 1465 . 1 1 120 120 ARG C C 13 174.8 0.2 . 1 . . . . 143 ARG C . 16364 1 1466 . 1 1 120 120 ARG CA C 13 55.1 0.2 . 1 . . . . 143 ARG CA . 16364 1 1467 . 1 1 120 120 ARG CB C 13 32.8 0.2 . 1 . . . . 143 ARG CB . 16364 1 1468 . 1 1 120 120 ARG CD C 13 43.5 0.2 . 1 . . . . 143 ARG CD . 16364 1 1469 . 1 1 120 120 ARG CG C 13 27.7 0.2 . 1 . . . . 143 ARG CG . 16364 1 1470 . 1 1 120 120 ARG N N 15 121.5 0.2 . 1 . . . . 143 ARG N . 16364 1 1471 . 1 1 121 121 LEU H H 1 9.76 0.02 . 1 . . . . 144 LEU H . 16364 1 1472 . 1 1 121 121 LEU HA H 1 5.42 0.02 . 1 . . . . 144 LEU HA . 16364 1 1473 . 1 1 121 121 LEU HB2 H 1 1.72 0.02 . 2 . . . . 144 LEU HB2 . 16364 1 1474 . 1 1 121 121 LEU HB3 H 1 1.46 0.02 . 2 . . . . 144 LEU HB3 . 16364 1 1475 . 1 1 121 121 LEU HD11 H 1 0.81 0.02 . 2 . . . . 144 LEU HD1 . 16364 1 1476 . 1 1 121 121 LEU HD12 H 1 0.81 0.02 . 2 . . . . 144 LEU HD1 . 16364 1 1477 . 1 1 121 121 LEU HD13 H 1 0.81 0.02 . 2 . . . . 144 LEU HD1 . 16364 1 1478 . 1 1 121 121 LEU HD21 H 1 0.76 0.02 . 2 . . . . 144 LEU HD2 . 16364 1 1479 . 1 1 121 121 LEU HD22 H 1 0.76 0.02 . 2 . . . . 144 LEU HD2 . 16364 1 1480 . 1 1 121 121 LEU HD23 H 1 0.76 0.02 . 2 . . . . 144 LEU HD2 . 16364 1 1481 . 1 1 121 121 LEU HG H 1 1.66 0.02 . 1 . . . . 144 LEU HG . 16364 1 1482 . 1 1 121 121 LEU C C 13 175 0.2 . 1 . . . . 144 LEU C . 16364 1 1483 . 1 1 121 121 LEU CA C 13 53.9 0.2 . 1 . . . . 144 LEU CA . 16364 1 1484 . 1 1 121 121 LEU CB C 13 44.9 0.2 . 1 . . . . 144 LEU CB . 16364 1 1485 . 1 1 121 121 LEU CD1 C 13 26.3 0.2 . 2 . . . . 144 LEU CD1 . 16364 1 1486 . 1 1 121 121 LEU CD2 C 13 27.2 0.2 . 2 . . . . 144 LEU CD2 . 16364 1 1487 . 1 1 121 121 LEU CG C 13 28.7 0.2 . 1 . . . . 144 LEU CG . 16364 1 1488 . 1 1 121 121 LEU N N 15 126.4 0.2 . 1 . . . . 144 LEU N . 16364 1 1489 . 1 1 122 122 VAL H H 1 9.37 0.02 . 1 . . . . 145 VAL H . 16364 1 1490 . 1 1 122 122 VAL HA H 1 5.01 0.02 . 1 . . . . 145 VAL HA . 16364 1 1491 . 1 1 122 122 VAL HB H 1 1.83 0.02 . 1 . . . . 145 VAL HB . 16364 1 1492 . 1 1 122 122 VAL HG11 H 1 0.97 0.02 . 2 . . . . 145 VAL HG1 . 16364 1 1493 . 1 1 122 122 VAL HG12 H 1 0.97 0.02 . 2 . . . . 145 VAL HG1 . 16364 1 1494 . 1 1 122 122 VAL HG13 H 1 0.97 0.02 . 2 . . . . 145 VAL HG1 . 16364 1 1495 . 1 1 122 122 VAL HG21 H 1 0.95 0.02 . 2 . . . . 145 VAL HG2 . 16364 1 1496 . 1 1 122 122 VAL HG22 H 1 0.95 0.02 . 2 . . . . 145 VAL HG2 . 16364 1 1497 . 1 1 122 122 VAL HG23 H 1 0.95 0.02 . 2 . . . . 145 VAL HG2 . 16364 1 1498 . 1 1 122 122 VAL C C 13 173.7 0.2 . 1 . . . . 145 VAL C . 16364 1 1499 . 1 1 122 122 VAL CA C 13 60.8 0.2 . 1 . . . . 145 VAL CA . 16364 1 1500 . 1 1 122 122 VAL CB C 13 34.3 0.2 . 1 . . . . 145 VAL CB . 16364 1 1501 . 1 1 122 122 VAL CG1 C 13 21.3 0.2 . 2 . . . . 145 VAL CG1 . 16364 1 1502 . 1 1 122 122 VAL CG2 C 13 22.5 0.2 . 2 . . . . 145 VAL CG2 . 16364 1 1503 . 1 1 122 122 VAL N N 15 121.9 0.2 . 1 . . . . 145 VAL N . 16364 1 1504 . 1 1 123 123 PHE H H 1 8.83 0.02 . 1 . . . . 146 PHE H . 16364 1 1505 . 1 1 123 123 PHE HA H 1 4.98 0.02 . 1 . . . . 146 PHE HA . 16364 1 1506 . 1 1 123 123 PHE HB2 H 1 3.02 0.02 . 2 . . . . 146 PHE HB2 . 16364 1 1507 . 1 1 123 123 PHE HB3 H 1 2.59 0.02 . 2 . . . . 146 PHE HB3 . 16364 1 1508 . 1 1 123 123 PHE HD1 H 1 6.88 0.02 . 3 . . . . 146 PHE HD1 . 16364 1 1509 . 1 1 123 123 PHE HD2 H 1 6.88 0.02 . 3 . . . . 146 PHE HD2 . 16364 1 1510 . 1 1 123 123 PHE HE1 H 1 6.57 0.02 . 3 . . . . 146 PHE HE1 . 16364 1 1511 . 1 1 123 123 PHE HE2 H 1 6.57 0.02 . 3 . . . . 146 PHE HE2 . 16364 1 1512 . 1 1 123 123 PHE HZ H 1 7.09 0.02 . 1 . . . . 146 PHE HZ . 16364 1 1513 . 1 1 123 123 PHE C C 13 172.7 0.2 . 1 . . . . 146 PHE C . 16364 1 1514 . 1 1 123 123 PHE CA C 13 57.1 0.2 . 1 . . . . 146 PHE CA . 16364 1 1515 . 1 1 123 123 PHE CB C 13 41.1 0.2 . 1 . . . . 146 PHE CB . 16364 1 1516 . 1 1 123 123 PHE CD1 C 13 132.1 0.2 . 3 . . . . 146 PHE CD1 . 16364 1 1517 . 1 1 123 123 PHE CD2 C 13 132.1 0.2 . 3 . . . . 146 PHE CD2 . 16364 1 1518 . 1 1 123 123 PHE CE1 C 13 130.9 0.2 . 3 . . . . 146 PHE CE1 . 16364 1 1519 . 1 1 123 123 PHE CE2 C 13 130.9 0.2 . 3 . . . . 146 PHE CE2 . 16364 1 1520 . 1 1 123 123 PHE CZ C 13 130 0.2 . 1 . . . . 146 PHE CZ . 16364 1 1521 . 1 1 123 123 PHE N N 15 128.7 0.2 . 1 . . . . 146 PHE N . 16364 1 1522 . 1 1 124 124 LEU H H 1 8.65 0.02 . 1 . . . . 147 LEU H . 16364 1 1523 . 1 1 124 124 LEU HA H 1 5.02 0.02 . 1 . . . . 147 LEU HA . 16364 1 1524 . 1 1 124 124 LEU HB2 H 1 1.36 0.02 . 2 . . . . 147 LEU HB2 . 16364 1 1525 . 1 1 124 124 LEU HB3 H 1 1.28 0.02 . 2 . . . . 147 LEU HB3 . 16364 1 1526 . 1 1 124 124 LEU HD11 H 1 0.70 0.02 . 2 . . . . 147 LEU HD1 . 16364 1 1527 . 1 1 124 124 LEU HD12 H 1 0.70 0.02 . 2 . . . . 147 LEU HD1 . 16364 1 1528 . 1 1 124 124 LEU HD13 H 1 0.70 0.02 . 2 . . . . 147 LEU HD1 . 16364 1 1529 . 1 1 124 124 LEU HD21 H 1 0.81 0.02 . 2 . . . . 147 LEU HD2 . 16364 1 1530 . 1 1 124 124 LEU HD22 H 1 0.81 0.02 . 2 . . . . 147 LEU HD2 . 16364 1 1531 . 1 1 124 124 LEU HD23 H 1 0.81 0.02 . 2 . . . . 147 LEU HD2 . 16364 1 1532 . 1 1 124 124 LEU HG H 1 1.35 0.02 . 1 . . . . 147 LEU HG . 16364 1 1533 . 1 1 124 124 LEU C C 13 175.3 0.2 . 1 . . . . 147 LEU C . 16364 1 1534 . 1 1 124 124 LEU CA C 13 52.6 0.2 . 1 . . . . 147 LEU CA . 16364 1 1535 . 1 1 124 124 LEU CB C 13 45.6 0.2 . 1 . . . . 147 LEU CB . 16364 1 1536 . 1 1 124 124 LEU CD1 C 13 26.3 0.2 . 2 . . . . 147 LEU CD1 . 16364 1 1537 . 1 1 124 124 LEU CD2 C 13 23.4 0.2 . 2 . . . . 147 LEU CD2 . 16364 1 1538 . 1 1 124 124 LEU CG C 13 26.7 0.2 . 1 . . . . 147 LEU CG . 16364 1 1539 . 1 1 124 124 LEU N N 15 128 0.2 . 1 . . . . 147 LEU N . 16364 1 1540 . 1 1 125 125 THR H H 1 8.3 0.02 . 1 . . . . 148 THR H . 16364 1 1541 . 1 1 125 125 THR HA H 1 4.33 0.02 . 1 . . . . 148 THR HA . 16364 1 1542 . 1 1 125 125 THR HB H 1 4.08 0.02 . 1 . . . . 148 THR HB . 16364 1 1543 . 1 1 125 125 THR HG21 H 1 1.13 0.02 . 1 . . . . 148 THR HG2 . 16364 1 1544 . 1 1 125 125 THR HG22 H 1 1.13 0.02 . 1 . . . . 148 THR HG2 . 16364 1 1545 . 1 1 125 125 THR HG23 H 1 1.13 0.02 . 1 . . . . 148 THR HG2 . 16364 1 1546 . 1 1 125 125 THR C C 13 173.9 0.2 . 1 . . . . 148 THR C . 16364 1 1547 . 1 1 125 125 THR CA C 13 60.2 0.2 . 1 . . . . 148 THR CA . 16364 1 1548 . 1 1 125 125 THR CB C 13 70.3 0.2 . 1 . . . . 148 THR CB . 16364 1 1549 . 1 1 125 125 THR CG2 C 13 21.4 0.2 . 1 . . . . 148 THR CG2 . 16364 1 1550 . 1 1 125 125 THR N N 15 110.6 0.2 . 1 . . . . 148 THR N . 16364 1 1551 . 1 1 126 126 GLY H H 1 8.31 0.02 . 1 . . . . 149 GLY H . 16364 1 1552 . 1 1 126 126 GLY HA2 H 1 3.84 0.02 . 2 . . . . 149 GLY HA2 . 16364 1 1553 . 1 1 126 126 GLY HA3 H 1 3.84 0.02 . 2 . . . . 149 GLY HA3 . 16364 1 1554 . 1 1 126 126 GLY CA C 13 45.2 0.2 . 1 . . . . 149 GLY CA . 16364 1 1555 . 1 1 126 126 GLY N N 15 109.8 0.2 . 1 . . . . 149 GLY N . 16364 1 1556 . 1 1 127 127 HIS H H 1 8.31 0.02 . 1 . . . . 150 HIS H . 16364 1 1557 . 1 1 127 127 HIS HA H 1 4.63 0.02 . 1 . . . . 150 HIS HA . 16364 1 1558 . 1 1 127 127 HIS HB2 H 1 3.10 0.02 . 2 . . . . 150 HIS HB2 . 16364 1 1559 . 1 1 127 127 HIS HB3 H 1 3.10 0.02 . 2 . . . . 150 HIS HB3 . 16364 1 1560 . 1 1 127 127 HIS HD2 H 1 7.09 0.02 . 1 . . . . 150 HIS HD2 . 16364 1 1561 . 1 1 127 127 HIS HE1 H 1 8.01 0.02 . 1 . . . . 150 HIS HE1 . 16364 1 1562 . 1 1 127 127 HIS C C 13 174.8 0.2 . 1 . . . . 150 HIS C . 16364 1 1563 . 1 1 127 127 HIS CA C 13 55.9 0.2 . 1 . . . . 150 HIS CA . 16364 1 1564 . 1 1 127 127 HIS CB C 13 30.7 0.2 . 1 . . . . 150 HIS CB . 16364 1 1565 . 1 1 127 127 HIS CD2 C 13 119.7 0.2 . 1 . . . . 150 HIS CD2 . 16364 1 1566 . 1 1 127 127 HIS CE1 C 13 137.8 0.2 . 1 . . . . 150 HIS CE1 . 16364 1 1567 . 1 1 127 127 HIS N N 15 119.3 0.2 . 1 . . . . 150 HIS N . 16364 1 1568 . 1 1 127 127 HIS ND1 N 15 256 0.2 . 1 . . . . 150 HIS ND1 . 16364 1 1569 . 1 1 127 127 HIS NE2 N 15 177.4 0.2 . 1 . . . . 150 HIS NE2 . 16364 1 1570 . 1 1 128 128 LYS H H 1 8.49 0.02 . 1 . . . . 151 LYS H . 16364 1 1571 . 1 1 128 128 LYS HA H 1 4.30 0.02 . 1 . . . . 151 LYS HA . 16364 1 1572 . 1 1 128 128 LYS HB2 H 1 1.78 0.02 . 2 . . . . 151 LYS HB2 . 16364 1 1573 . 1 1 128 128 LYS HB3 H 1 1.68 0.02 . 2 . . . . 151 LYS HB3 . 16364 1 1574 . 1 1 128 128 LYS HD2 H 1 1.66 0.02 . 2 . . . . 151 LYS HD2 . 16364 1 1575 . 1 1 128 128 LYS HD3 H 1 1.66 0.02 . 2 . . . . 151 LYS HD3 . 16364 1 1576 . 1 1 128 128 LYS HE2 H 1 2.98 0.02 . 2 . . . . 151 LYS HE2 . 16364 1 1577 . 1 1 128 128 LYS HE3 H 1 2.98 0.02 . 2 . . . . 151 LYS HE3 . 16364 1 1578 . 1 1 128 128 LYS HG2 H 1 1.40 0.02 . 2 . . . . 151 LYS HG2 . 16364 1 1579 . 1 1 128 128 LYS HG3 H 1 1.40 0.02 . 2 . . . . 151 LYS HG3 . 16364 1 1580 . 1 1 128 128 LYS C C 13 176.2 0.2 . 1 . . . . 151 LYS C . 16364 1 1581 . 1 1 128 128 LYS CA C 13 56.1 0.2 . 1 . . . . 151 LYS CA . 16364 1 1582 . 1 1 128 128 LYS CB C 13 33.2 0.2 . 1 . . . . 151 LYS CB . 16364 1 1583 . 1 1 128 128 LYS CD C 13 29.1 0.2 . 1 . . . . 151 LYS CD . 16364 1 1584 . 1 1 128 128 LYS CE C 13 42.2 0.2 . 1 . . . . 151 LYS CE . 16364 1 1585 . 1 1 128 128 LYS CG C 13 24.9 0.2 . 1 . . . . 151 LYS CG . 16364 1 1586 . 1 1 128 128 LYS N N 15 123.8 0.2 . 1 . . . . 151 LYS N . 16364 1 1587 . 1 1 129 129 GLN H H 1 8.64 0.02 . 1 . . . . 152 GLN H . 16364 1 1588 . 1 1 129 129 GLN HA H 1 4.27 0.02 . 1 . . . . 152 GLN HA . 16364 1 1589 . 1 1 129 129 GLN HB2 H 1 2.06 0.02 . 2 . . . . 152 GLN HB2 . 16364 1 1590 . 1 1 129 129 GLN HB3 H 1 1.99 0.02 . 2 . . . . 152 GLN HB3 . 16364 1 1591 . 1 1 129 129 GLN HE21 H 1 7.56 0.02 . 2 . . . . 152 GLN HE21 . 16364 1 1592 . 1 1 129 129 GLN HE22 H 1 6.87 0.02 . 2 . . . . 152 GLN HE22 . 16364 1 1593 . 1 1 129 129 GLN HG2 H 1 2.36 0.02 . 2 . . . . 152 GLN HG2 . 16364 1 1594 . 1 1 129 129 GLN HG3 H 1 2.36 0.02 . 2 . . . . 152 GLN HG3 . 16364 1 1595 . 1 1 129 129 GLN C C 13 176.5 0.2 . 1 . . . . 152 GLN C . 16364 1 1596 . 1 1 129 129 GLN CA C 13 56.4 0.2 . 1 . . . . 152 GLN CA . 16364 1 1597 . 1 1 129 129 GLN CB C 13 29.5 0.2 . 1 . . . . 152 GLN CB . 16364 1 1598 . 1 1 129 129 GLN CD C 13 180.4 0.2 . 1 . . . . 152 GLN CD . 16364 1 1599 . 1 1 129 129 GLN CG C 13 33.8 0.2 . 1 . . . . 152 GLN CG . 16364 1 1600 . 1 1 129 129 GLN N N 15 122.9 0.2 . 1 . . . . 152 GLN N . 16364 1 1601 . 1 1 129 129 GLN NE2 N 15 112.5 0.2 . 1 . . . . 152 GLN NE2 . 16364 1 1602 . 1 1 130 130 GLY H H 1 8.64 0.02 . 1 . . . . 153 GLY H . 16364 1 1603 . 1 1 130 130 GLY HA2 H 1 3.99 0.02 . 2 . . . . 153 GLY HA2 . 16364 1 1604 . 1 1 130 130 GLY HA3 H 1 3.91 0.02 . 2 . . . . 153 GLY HA3 . 16364 1 1605 . 1 1 130 130 GLY C C 13 174.1 0.2 . 1 . . . . 153 GLY C . 16364 1 1606 . 1 1 130 130 GLY CA C 13 45.4 0.2 . 1 . . . . 153 GLY CA . 16364 1 1607 . 1 1 130 130 GLY N N 15 111.1 0.2 . 1 . . . . 153 GLY N . 16364 1 1608 . 1 1 131 131 GLU H H 1 8.22 0.02 . 1 . . . . 154 GLU H . 16364 1 1609 . 1 1 131 131 GLU HA H 1 4.26 0.02 . 1 . . . . 154 GLU HA . 16364 1 1610 . 1 1 131 131 GLU HB2 H 1 2.01 0.02 . 2 . . . . 154 GLU HB2 . 16364 1 1611 . 1 1 131 131 GLU HB3 H 1 1.91 0.02 . 2 . . . . 154 GLU HB3 . 16364 1 1612 . 1 1 131 131 GLU HG2 H 1 2.2 0.02 . 2 . . . . 154 GLU HG2 . 16364 1 1613 . 1 1 131 131 GLU HG3 H 1 2.2 0.02 . 2 . . . . 154 GLU HG3 . 16364 1 1614 . 1 1 131 131 GLU C C 13 176.1 0.2 . 1 . . . . 154 GLU C . 16364 1 1615 . 1 1 131 131 GLU CA C 13 56.6 0.2 . 1 . . . . 154 GLU CA . 16364 1 1616 . 1 1 131 131 GLU CB C 13 30.6 0.2 . 1 . . . . 154 GLU CB . 16364 1 1617 . 1 1 131 131 GLU CG C 13 36.2 0.2 . 1 . . . . 154 GLU CG . 16364 1 1618 . 1 1 131 131 GLU N N 15 120.5 0.2 . 1 . . . . 154 GLU N . 16364 1 1619 . 1 1 132 132 ASP H H 1 8.53 0.02 . 1 . . . . 155 ASP H . 16364 1 1620 . 1 1 132 132 ASP HA H 1 4.56 0.02 . 1 . . . . 155 ASP HA . 16364 1 1621 . 1 1 132 132 ASP HB2 H 1 2.71 0.02 . 2 . . . . 155 ASP HB2 . 16364 1 1622 . 1 1 132 132 ASP HB3 H 1 2.6 0.02 . 2 . . . . 155 ASP HB3 . 16364 1 1623 . 1 1 132 132 ASP C C 13 176.3 0.2 . 1 . . . . 155 ASP C . 16364 1 1624 . 1 1 132 132 ASP CA C 13 54.3 0.2 . 1 . . . . 155 ASP CA . 16364 1 1625 . 1 1 132 132 ASP CB C 13 41 0.2 . 1 . . . . 155 ASP CB . 16364 1 1626 . 1 1 132 132 ASP N N 15 121.3 0.2 . 1 . . . . 155 ASP N . 16364 1 1627 . 1 1 133 133 LEU H H 1 8.23 0.02 . 1 . . . . 156 LEU H . 16364 1 1628 . 1 1 133 133 LEU HA H 1 4.2 0.02 . 1 . . . . 156 LEU HA . 16364 1 1629 . 1 1 133 133 LEU HB2 H 1 1.55 0.02 . 2 . . . . 156 LEU HB2 . 16364 1 1630 . 1 1 133 133 LEU HB3 H 1 1.55 0.02 . 2 . . . . 156 LEU HB3 . 16364 1 1631 . 1 1 133 133 LEU HD11 H 1 0.85 0.02 . 2 . . . . 156 LEU HD1 . 16364 1 1632 . 1 1 133 133 LEU HD12 H 1 0.85 0.02 . 2 . . . . 156 LEU HD1 . 16364 1 1633 . 1 1 133 133 LEU HD13 H 1 0.85 0.02 . 2 . . . . 156 LEU HD1 . 16364 1 1634 . 1 1 133 133 LEU HD21 H 1 0.79 0.02 . 2 . . . . 156 LEU HD2 . 16364 1 1635 . 1 1 133 133 LEU HD22 H 1 0.79 0.02 . 2 . . . . 156 LEU HD2 . 16364 1 1636 . 1 1 133 133 LEU HD23 H 1 0.79 0.02 . 2 . . . . 156 LEU HD2 . 16364 1 1637 . 1 1 133 133 LEU HG H 1 1.56 0.02 . 1 . . . . 156 LEU HG . 16364 1 1638 . 1 1 133 133 LEU C C 13 177.7 0.2 . 1 . . . . 156 LEU C . 16364 1 1639 . 1 1 133 133 LEU CA C 13 55.5 0.2 . 1 . . . . 156 LEU CA . 16364 1 1640 . 1 1 133 133 LEU CB C 13 42.1 0.2 . 1 . . . . 156 LEU CB . 16364 1 1641 . 1 1 133 133 LEU CD1 C 13 25.2 0.2 . 2 . . . . 156 LEU CD1 . 16364 1 1642 . 1 1 133 133 LEU CD2 C 13 23.4 0.2 . 2 . . . . 156 LEU CD2 . 16364 1 1643 . 1 1 133 133 LEU CG C 13 27 0.2 . 1 . . . . 156 LEU CG . 16364 1 1644 . 1 1 133 133 LEU N N 15 122.5 0.2 . 1 . . . . 156 LEU N . 16364 1 1645 . 1 1 134 134 GLU H H 1 8.27 0.02 . 1 . . . . 157 GLU H . 16364 1 1646 . 1 1 134 134 GLU HA H 1 4.1 0.02 . 1 . . . . 157 GLU HA . 16364 1 1647 . 1 1 134 134 GLU HB2 H 1 1.85 0.02 . 2 . . . . 157 GLU HB2 . 16364 1 1648 . 1 1 134 134 GLU HB3 H 1 1.85 0.02 . 2 . . . . 157 GLU HB3 . 16364 1 1649 . 1 1 134 134 GLU HG2 H 1 2.15 0.02 . 2 . . . . 157 GLU HG2 . 16364 1 1650 . 1 1 134 134 GLU HG3 H 1 2.09 0.02 . 2 . . . . 157 GLU HG3 . 16364 1 1651 . 1 1 134 134 GLU C C 13 177.3 0.2 . 1 . . . . 157 GLU C . 16364 1 1652 . 1 1 134 134 GLU CA C 13 56.9 0.2 . 1 . . . . 157 GLU CA . 16364 1 1653 . 1 1 134 134 GLU CB C 13 30 0.2 . 1 . . . . 157 GLU CB . 16364 1 1654 . 1 1 134 134 GLU CG C 13 36.1 0.2 . 1 . . . . 157 GLU CG . 16364 1 1655 . 1 1 134 134 GLU N N 15 119.8 0.2 . 1 . . . . 157 GLU N . 16364 1 1656 . 1 1 135 135 HIS H H 1 8.15 0.02 . 1 . . . . 158 HIS H . 16364 1 1657 . 1 1 135 135 HIS HA H 1 4.53 0.02 . 1 . . . . 158 HIS HA . 16364 1 1658 . 1 1 135 135 HIS HB2 H 1 3.06 0.02 . 2 . . . . 158 HIS HB2 . 16364 1 1659 . 1 1 135 135 HIS HB3 H 1 2.99 0.02 . 2 . . . . 158 HIS HB3 . 16364 1 1660 . 1 1 135 135 HIS HD2 H 1 6.98 0.02 . 1 . . . . 158 HIS HD2 . 16364 1 1661 . 1 1 135 135 HIS HE1 H 1 6.58 0.02 . 1 . . . . 158 HIS HE1 . 16364 1 1662 . 1 1 135 135 HIS CA C 13 56.1 0.2 . 1 . . . . 158 HIS CA . 16364 1 1663 . 1 1 135 135 HIS CB C 13 30.0 0.2 . 1 . . . . 158 HIS CB . 16364 1 1664 . 1 1 135 135 HIS N N 15 118.5 0.2 . 1 . . . . 158 HIS N . 16364 1 1665 . 1 1 139 139 HIS HA H 1 4.59 0.02 . 1 . . . . 162 HIS HA . 16364 1 1666 . 1 1 139 139 HIS HB2 H 1 3.07 0.02 . 2 . . . . 162 HIS HB2 . 16364 1 1667 . 1 1 139 139 HIS HB3 H 1 3.07 0.02 . 2 . . . . 162 HIS HB3 . 16364 1 1668 . 1 1 139 139 HIS C C 13 173.9 0.2 . 1 . . . . 162 HIS C . 16364 1 1669 . 1 1 139 139 HIS CA C 13 55.9 0.2 . 1 . . . . 162 HIS CA . 16364 1 1670 . 1 1 139 139 HIS CB C 13 30.1 0.2 . 1 . . . . 162 HIS CB . 16364 1 1671 . 1 1 140 140 HIS H H 1 8.14 0.02 . 1 . . . . 163 HIS H . 16364 1 1672 . 1 1 140 140 HIS HA H 1 4.41 0.02 . 1 . . . . 163 HIS HA . 16364 1 1673 . 1 1 140 140 HIS HB2 H 1 3.17 0.02 . 2 . . . . 163 HIS HB2 . 16364 1 1674 . 1 1 140 140 HIS HB3 H 1 3.05 0.02 . 2 . . . . 163 HIS HB3 . 16364 1 1675 . 1 1 140 140 HIS CA C 13 57.4 0.2 . 1 . . . . 163 HIS CA . 16364 1 1676 . 1 1 140 140 HIS CB C 13 30.3 0.2 . 1 . . . . 163 HIS CB . 16364 1 1677 . 1 1 140 140 HIS N N 15 125.3 0.2 . 1 . . . . 163 HIS N . 16364 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy.list _Spectral_peak_list.Entry_ID 16364 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 105.967 4.999 9.296 3129205 106.025 3.040 9.299 3119213 106.041 10.095 9.288 5647814 106.066 2.341 9.286 6082863 106.067 3.675 9.290 19297900 106.085 4.441 9.287 7895150 106.106 7.967 9.290 7924556 106.170 2.878 9.289 3320773 106.170 1.490 9.292 4501928 106.170 2.019 9.287 4897715 108.512 4.298 8.503 83636984 108.513 4.007 8.504 82398536 108.517 1.382 8.504 29151272 108.531 8.024 8.504 8525425 108.535 1.481 8.394 3468295 108.617 3.989 8.405 5389792 108.621 3.626 8.400 5623380 108.627 1.026 8.405 3660800 108.629 4.395 8.400 4595368 108.639 5.719 8.399 18998926 108.642 1.194 8.399 13293308 108.670 0.271 8.402 3687879 108.698 -0.442 8.403 3107490 108.712 0.543 8.638 3652562 108.812 0.944 8.642 4483184 108.822 2.947 8.641 23479382 108.827 4.412 8.637 6435690 108.831 4.006 8.641 51819156 108.831 3.000 8.642 18421112 108.831 2.899 8.643 17416680 108.838 4.200 8.642 20001396 108.838 7.663 8.641 19510456 108.841 2.711 8.642 8985810 108.846 -0.172 8.640 13474647 108.852 9.405 8.637 5643102 109.298 2.225 8.338 9880946 109.312 4.163 8.338 56771728 109.315 1.943 8.337 13274980 109.318 8.575 8.336 13186952 109.319 7.775 8.337 22665512 109.345 3.903 8.336 32818910 109.345 3.827 8.339 39805476 109.346 0.788 8.339 7129620 109.696 4.328 8.319 18766330 109.785 0.640 8.318 9376947 109.787 8.451 7.938 9901509 109.788 3.609 7.939 12715699 109.806 4.194 7.937 10670103 109.820 1.128 8.318 6995340 109.828 2.901 7.937 4836452 109.832 4.071 8.316 22291430 109.832 3.831 8.316 16337109 109.836 8.945 7.936 5310705 109.839 1.431 8.322 5973368 109.896 4.872 7.937 8717307 110.038 2.234 8.694 8949420 110.053 7.507 8.695 17372318 110.060 4.054 8.696 19591690 110.066 4.326 8.695 42221728 110.070 3.654 8.695 22852454 110.073 1.835 8.695 7541298 110.138 1.982 8.700 4225554 110.276 4.421 6.789 4092688 110.290 2.321 7.433 10804839 110.305 2.026 6.792 4794220 110.316 0.733 6.793 4800324 110.317 4.038 7.437 3758342 110.325 0.740 6.653 3056184 110.326 6.794 6.792 183899248 110.327 5.594 6.790 3027558 110.330 6.655 6.655 164672256 110.341 8.860 6.651 3536756 110.344 9.181 6.793 8542085 110.353 2.514 6.792 11090677 110.356 4.998 6.795 4257250 110.358 2.329 6.423 10047661 110.362 4.049 6.426 6423109 110.362 8.859 6.793 5754816 110.367 6.422 7.435 62802188 110.368 7.432 6.425 92120640 110.370 2.050 6.649 4179455 110.370 1.746 6.657 5160679 110.374 1.787 6.792 8016122 110.377 2.252 6.656 4795584 110.377 6.795 6.655 112215784 110.378 6.655 6.792 152364208 110.379 2.519 6.650 4160676 110.390 1.817 6.653 5309613 110.391 2.265 6.790 7834788 110.422 9.194 6.654 3441006 110.455 0.944 6.795 5933222 110.463 0.931 6.652 6245882 110.480 4.777 6.426 4701051 110.499 0.806 8.377 9053228 110.500 7.980 8.377 20686716 110.501 4.406 8.377 55593004 110.536 2.716 8.289 3198514 110.554 8.649 8.298 5102516 110.563 2.937 8.297 3596722 110.566 0.656 8.297 7483738 110.570 1.295 8.296 8327363 110.578 3.844 8.379 19317112 110.578 3.951 8.379 65134332 110.583 0.803 8.299 15947941 110.586 5.034 8.298 28956846 110.603 10.091 8.302 3968026 110.614 1.126 8.297 14517865 110.618 4.074 8.301 4778884 110.675 4.339 8.305 8100082 110.675 1.365 8.300 7753510 110.772 4.292 8.478 11707126 110.773 3.117 8.471 4741264 110.773 3.585 8.477 13919762 110.775 4.698 8.477 44000252 110.777 1.530 8.476 7623568 110.780 1.355 8.477 16525049 110.797 2.845 8.478 3345247 110.808 7.985 8.475 3308739 110.824 0.979 8.478 4928709 110.873 1.817 8.475 8276050 110.873 1.718 8.479 9899973 111.040 2.365 8.638 12542007 111.049 4.008 8.640 35768712 111.054 6.559 8.359 7282468 111.055 1.335 8.358 17391662 111.056 8.216 8.640 16406736 111.057 4.266 8.640 96302040 111.061 4.065 8.363 7350630 111.063 4.419 8.363 3096861 111.063 1.008 8.358 15651110 111.156 2.053 8.640 9664632 111.156 1.996 8.643 8159354 111.156 3.911 8.640 33880188 111.189 8.231 8.361 6622927 111.240 7.975 8.597 13589744 111.266 4.541 8.601 11118308 111.268 3.714 8.598 20991942 111.270 9.193 8.597 25407136 111.279 0.401 8.597 6204659 111.290 0.602 8.599 5055724 111.358 4.272 8.600 17148070 111.504 5.441 7.646 16408241 111.509 1.891 7.649 21696492 111.510 1.249 7.648 6062893 111.511 4.727 7.648 23436352 111.512 8.520 7.648 58280492 111.513 3.754 7.649 21336076 111.515 2.639 7.649 26521220 111.516 0.448 7.647 13756706 111.517 0.830 7.647 14046389 111.517 2.758 7.648 20708868 111.538 8.788 7.649 6811662 111.708 4.442 9.123 8008585 111.735 3.690 9.126 14283394 111.742 0.782 9.127 3463592 111.743 0.982 9.126 11525952 111.748 3.495 9.127 9492229 111.753 1.352 9.125 9890607 111.765 2.162 9.125 6855210 111.767 8.091 9.124 6213328 112.100 7.575 6.898 163401360 112.100 6.881 7.581 174034144 112.100 2.369 7.578 18430826 112.100 2.369 6.895 4809634 112.435 7.962 8.446 11864861 112.437 1.717 8.445 9159491 112.438 2.941 8.445 8945693 112.441 1.566 8.441 5811874 112.441 1.483 8.437 6056390 112.445 7.714 8.444 6245594 112.448 3.136 8.444 7674486 112.452 2.366 7.577 32806302 112.457 0.897 8.447 8034112 112.479 2.004 7.563 3232568 112.486 4.261 8.448 4710660 112.519 4.873 8.447 14852689 112.573 6.854 7.545 372172192 112.698 3.031 7.164 5484224 112.698 0.730 7.168 7527352 112.698 3.128 7.164 4744088 112.707 1.481 7.164 10385564 112.715 6.441 7.167 6498034 112.817 1.638 7.166 5097707 112.817 1.718 7.166 4205907 112.860 4.017 7.514 3309606 112.862 2.909 7.517 19282428 112.891 4.240 8.016 29508392 112.893 4.007 8.020 76357624 112.896 2.913 6.822 14365054 112.897 1.168 8.020 33185640 112.901 8.528 8.020 11908388 112.902 8.618 8.021 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131.861 5.006 7.708 16062176 131.863 2.995 7.708 4404242 131.865 -0.279 7.712 4948757 131.867 1.525 9.399 4848147 131.872 0.978 9.392 11089463 131.879 1.702 9.392 12061059 131.883 3.612 7.709 6465200 131.897 5.426 9.396 5284548 131.916 8.397 7.712 3232820 131.923 0.102 7.709 3863141 131.924 0.757 9.396 4263662 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 NH 1 2584.504 . . . 16364 1 2 H 1 H 2 10626.300 . . . 16364 1 3 H 1 HN 1 12755.102 . . . 16364 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16364 1 stop_ save_ save_Cnoesy_aliph.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list _Spectral_peak_list.Entry_ID 16364 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 12.959 7.162 0.842 19302732 12.968 8.839 0.847 11919200 12.968 8.745 0.850 10055624 12.976 1.985 0.842 10129701 12.976 4.172 0.843 5905698 12.984 3.101 0.841 22795426 12.984 1.790 0.842 83670936 12.988 0.841 0.842 2976786176 12.994 0.995 0.843 213347760 12.997 1.530 0.842 168635712 13.003 9.016 0.843 4926563 13.013 4.651 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5911252 65.309 8.834 4.011 5257686 69.802 8.625 4.249 15260640 69.825 3.981 4.244 14115011 69.837 8.026 4.248 15075855 69.846 1.170 4.248 149206880 69.871 1.363 4.245 10432501 70.172 3.043 3.715 6794195 70.230 4.922 4.137 4258760 70.230 1.196 4.131 21397098 70.246 8.941 3.721 7242911 70.257 2.392 3.730 12162138 70.274 7.403 4.416 6599620 70.287 0.848 3.730 34571068 70.298 0.630 4.081 21476128 70.302 3.747 3.721 43327072 70.303 4.325 4.082 26810880 70.304 1.341 4.415 41119644 70.309 3.825 4.417 12100186 70.309 4.086 4.085 92512200 70.310 1.127 4.082 49552140 70.313 4.413 4.416 46594836 70.316 0.994 4.414 7213896 70.324 3.826 3.727 18836364 70.324 6.658 3.728 22030922 70.327 7.992 4.418 10800275 70.329 4.065 4.417 27387570 70.330 8.494 3.713 7439182 70.334 8.347 4.416 6686118 70.334 8.309 4.082 22316226 70.343 3.631 4.418 12070210 70.343 8.238 4.419 5268548 70.373 6.958 4.129 14655030 70.453 3.022 4.132 7250826 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 14963.631 . . . 16364 2 2 H 1 H 2 11901.456 . . . 16364 2 3 H 1 HC 1 15243.902 . . . 16364 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16364 2 stop_ save_ save_Cnoesy_arom.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom.list _Spectral_peak_list.Entry_ID 16364 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 117.850 1.133 6.833 12331848 117.903 2.333 6.837 5388428 117.972 0.831 6.841 7266966 117.986 2.060 6.838 7758086 118.001 6.696 6.844 87481024 118.007 2.989 6.836 5052028 118.050 3.985 6.845 7254336 118.091 3.889 6.838 7405090 118.100 1.634 6.838 7296525 128.535 0.971 6.806 9755283 129.193 1.014 7.054 6022340 129.308 7.073 7.055 63652356 129.677 1.578 7.197 6283445 129.797 0.811 7.211 10861981 130.225 1.211 6.823 11189407 130.225 0.732 6.832 5164214 130.353 0.981 6.822 11527307 130.429 0.359 6.829 8302323 130.858 0.640 6.576 3930460 130.865 7.110 7.128 121114712 130.952 6.580 6.571 15466312 130.971 0.986 7.125 16621516 131.001 7.141 6.572 4460492 131.151 6.890 6.580 7428544 131.179 6.551 7.176 5429748 131.215 9.691 7.177 3715619 131.215 4.991 7.177 6062034 131.215 2.943 7.165 7967736 131.215 2.492 7.162 6687927 131.215 0.326 7.168 4893040 131.503 0.624 7.170 6229648 131.716 9.399 6.924 4414104 131.788 1.007 7.148 8623514 131.795 3.042 6.919 6315418 131.795 2.762 6.919 5832386 131.795 1.220 6.922 6393042 131.842 5.397 6.914 4852159 131.863 4.503 7.159 5834724 131.863 3.051 7.162 15249829 131.887 2.997 7.198 13179852 131.945 0.361 6.916 13132149 132.056 2.582 6.883 4237666 132.056 0.651 6.871 10728851 132.060 0.953 6.909 4109278 132.071 6.560 6.881 10979436 132.153 8.649 6.880 4163390 132.232 0.221 7.056 5172902 132.259 4.991 6.886 5436752 132.259 3.024 6.889 7406462 132.311 2.927 7.050 8710697 132.319 0.756 7.039 7823599 132.320 -0.120 7.054 4111618 132.388 7.050 7.049 97389600 132.414 0.978 7.052 7345800 132.465 9.177 7.048 4382370 132.471 2.546 7.053 9526900 132.542 4.727 7.050 5983913 132.618 1.683 6.704 5378133 132.634 2.136 6.702 9987865 132.656 1.911 6.705 7911091 132.658 8.239 6.704 12091676 132.684 2.323 6.701 18637286 132.693 5.352 6.702 6062200 132.716 5.128 6.703 6189164 132.718 2.990 6.703 11049359 132.721 3.933 6.701 9145024 132.725 0.830 6.701 6922859 132.783 3.682 6.703 7828952 132.821 3.403 7.358 4001126 132.821 2.573 7.373 3841015 132.821 0.985 7.364 11308439 132.821 8.265 7.362 6785274 139.240 2.715 7.731 22838702 139.249 1.742 7.727 10221969 139.266 11.147 7.725 14060142 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Carom 1 5558.401 . . . 16364 3 2 H 1 H 2 11901.456 . . . 16364 3 3 H 1 HC 1 15243.902 . . . 16364 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16364 3 stop_ save_ save_4D_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list _Spectral_peak_list.Entry_ID 16364 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 17 _Spectral_peak_list.Experiment_name '4D CC NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.940 21.998 1.182 -0.462 49854 13.940 14.850 0.227 -0.460 68507 13.940 20.919 0.862 0.255 -387705 14.309 25.785 0.272 -0.461 34623 14.309 20.815 -0.293 -0.444 38814 14.358 19.018 3.540 -0.461 33432 14.386 26.901 0.762 -0.460 39378 14.387 29.209 -0.312 6.826 182506 14.426 14.415 -0.179 6.824 661554 14.898 22.193 1.192 0.235 98280 14.908 14.901 0.226 0.233 562993 14.932 26.295 -0.139 0.235 49812 14.943 25.514 0.230 0.229 27007 14.951 14.912 0.708 7.713 94122 14.974 23.084 0.551 0.232 53616 15.199 22.906 1.009 -0.117 87175 15.210 33.987 0.544 -0.117 0 15.219 25.867 0.275 -0.117 66439 15.222 15.221 -0.126 -0.118 966357 15.236 21.073 1.134 -0.118 75729 15.237 20.155 1.270 -0.106 -36414 15.246 26.564 0.784 -0.115 33520 15.265 19.092 4.000 -0.117 48105 15.470 15.547 2.193 0.234 -33790 15.477 15.504 2.217 0.278 -35934 17.264 19.676 4.637 0.717 65602 17.270 19.731 1.775 0.716 -115952 17.271 17.266 0.714 0.717 1953398 17.284 27.545 0.968 0.718 46232 17.286 27.629 1.508 0.719 56637 17.554 32.036 4.054 1.258 24850 18.140 30.039 4.487 1.291 -342301 18.141 29.651 3.573 1.291 -119427 18.225 23.467 0.737 0.440 109861 18.248 21.626 0.822 0.441 291595 18.249 17.354 4.684 0.441 48418 18.250 22.489 1.239 0.440 131014 18.255 14.537 1.874 0.439 -84477 18.371 29.506 5.566 0.391 -45848 18.412 18.805 4.537 0.391 46827 18.421 29.396 2.308 0.390 109064 18.435 22.993 1.149 0.405 28889 18.435 21.343 0.609 0.405 180267 19.086 32.021 4.068 1.262 -478857 19.663 18.306 0.422 0.734 55611 19.663 33.742 1.615 0.734 29168 19.663 16.974 4.941 0.734 17992 19.722 19.759 3.712 0.962 18629 19.724 22.451 1.236 0.727 86705 19.724 22.596 0.078 0.724 119646 19.910 33.987 1.611 0.723 0 20.101 28.192 4.230 1.142 -14812 20.268 20.984 1.125 0.767 52505 20.350 22.663 1.314 1.015 106475 20.350 31.575 2.227 1.015 330999 20.350 23.323 4.064 1.015 147793 20.401 20.371 0.943 -0.273 -365633 20.465 15.105 5.427 0.730 72776 20.484 28.877 1.586 0.876 52165 20.518 19.320 5.007 0.878 60455 20.525 20.683 4.097 0.872 201178 20.525 31.971 4.295 0.872 -27878 20.525 15.203 2.205 0.872 -40499 20.525 22.465 3.811 0.872 43761 20.528 23.513 3.727 0.736 152310 20.538 32.698 2.029 0.897 106792 20.561 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0.522 -0.177 354598 21.097 26.930 0.933 -0.177 131678 21.100 19.706 4.992 0.770 71718 21.100 33.363 1.742 0.770 78862 21.100 18.340 0.439 0.770 31246 21.100 20.768 4.043 0.770 191366 21.181 21.830 1.628 -0.163 -38914 21.181 21.830 0.945 -0.163 -77048 21.191 25.653 0.277 1.134 26113 21.204 26.888 0.741 0.957 118672 21.318 18.411 0.383 0.598 213057 21.322 28.671 3.701 0.874 34804 21.322 18.108 0.422 0.874 43611 21.322 32.037 1.842 0.874 215868 21.322 19.630 5.004 0.970 29878 21.322 34.198 1.830 0.970 31929 21.322 26.155 0.819 0.970 115708 21.331 29.417 2.307 0.600 99185 21.339 18.730 4.526 0.599 94825 21.392 28.737 4.075 1.130 62953 21.392 18.834 4.328 1.130 17398 21.411 29.645 5.561 0.612 -23104 21.414 26.822 1.490 0.789 36484 21.414 14.081 1.787 0.737 -3398 21.414 25.964 0.609 0.737 183685 21.414 33.424 5.120 0.737 -22605 21.514 23.347 0.768 1.325 -15658 21.535 21.549 1.477 0.625 -53599 21.558 23.436 0.777 1.355 -24875 21.596 28.271 4.223 1.148 510481 21.625 21.612 1.148 0.771 -359760 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0.563 -17370 23.340 26.690 1.358 0.809 58645 23.340 26.294 0.708 0.809 165270 23.357 31.902 5.022 0.803 -79504 23.374 23.375 0.763 1.316 756628 23.387 14.081 4.207 0.824 75060 23.400 14.062 4.192 0.790 169517 23.400 21.422 1.549 0.790 -91960 23.400 27.036 1.549 0.790 96924 23.451 19.668 4.986 0.751 45357 23.455 33.068 1.738 0.747 45913 23.473 18.256 0.436 0.742 87952 23.481 24.865 1.286 0.802 -25699 23.533 15.799 4.237 0.892 185722 23.579 21.277 1.567 0.898 -102633 23.579 27.065 1.451 0.911 140123 23.695 15.552 4.950 0.651 40381 23.750 33.424 4.372 0.630 -55134 23.750 21.079 0.785 0.630 143639 23.782 31.823 5.436 0.651 -53300 23.810 33.334 4.369 0.656 -30531 23.810 26.353 1.372 0.656 28151 23.824 26.360 1.281 0.656 40201 23.824 26.426 -0.128 0.656 98409 24.139 29.925 4.504 0.646 -54578 24.190 20.431 2.676 0.635 -27045 24.251 13.940 4.432 0.842 45064 24.427 24.451 0.868 0.268 -248310 24.862 32.498 4.756 0.296 -23162 24.932 26.349 -0.133 0.301 46324 24.946 23.297 0.553 0.301 178690 24.952 26.369 1.214 0.299 64898 25.022 30.121 3.398 0.850 -42914 25.023 30.751 1.813 0.849 44379 25.043 13.940 4.187 0.823 264628 25.049 27.441 1.950 0.851 69884 25.049 25.058 0.830 6.788 41388 25.130 20.090 1.277 0.302 -29840 25.134 33.952 4.460 0.845 -48487 25.134 27.350 1.457 0.845 209419 25.134 21.475 1.512 0.845 -304991 25.134 23.653 1.523 0.845 -129805 25.134 14.081 4.185 0.845 110940 25.134 33.226 4.955 0.845 -67455 25.134 32.169 4.779 0.845 -50377 25.167 21.819 1.647 0.531 -45923 25.174 18.376 1.525 0.527 52397 25.174 21.096 -0.185 0.529 354222 25.178 26.910 0.941 0.529 131188 25.200 27.065 1.590 0.850 145753 25.221 33.278 4.377 0.531 -30546 25.236 21.525 1.410 0.636 -101803 25.278 26.855 1.498 0.632 134050 25.278 21.211 1.589 0.899 -56020 25.278 15.798 4.251 0.886 40877 25.278 27.036 1.448 0.899 118096 25.288 21.877 0.942 0.542 -16674 25.543 16.470 -0.006 6.985 -28006 25.544 26.756 1.336 0.637 41420 25.560 25.601 -0.038 6.955 53667 25.578 21.196 0.768 0.624 324201 25.627 23.050 3.018 0.620 -100608 25.639 32.676 4.919 0.621 -91634 25.655 33.987 4.433 0.622 0 25.669 16.431 0.014 7.011 -29131 25.809 23.404 0.834 0.286 12706 25.835 20.694 -0.282 0.279 80057 25.861 31.322 3.594 0.285 -15727 25.864 15.226 -0.122 0.278 53192 25.914 25.832 0.290 0.293 363120 25.914 24.644 1.016 0.293 20634 26.124 25.824 0.277 0.811 75375 26.238 26.435 -0.133 0.808 40003 26.275 23.455 0.807 0.697 143588 26.275 21.013 0.774 0.697 179261 26.275 24.776 1.270 0.697 -20738 26.275 24.776 1.347 0.697 -22177 26.275 31.968 5.002 0.710 -15722 26.277 20.709 -0.286 0.803 33317 26.291 21.617 0.968 0.373 40281 26.307 33.358 5.418 0.822 -21849 26.307 28.605 1.644 0.822 83201 26.307 24.314 1.710 0.822 -32294 26.307 24.182 1.457 0.822 -21049 26.341 14.926 0.232 -0.129 50555 26.369 23.692 0.626 0.377 103789 26.379 33.358 4.372 0.376 -16703 26.401 21.425 0.965 0.818 120853 26.409 23.785 0.653 -0.130 94221 26.409 26.360 1.270 -0.130 19644 26.409 25.568 1.600 -0.130 -15338 26.763 26.700 -0.183 6.823 25354 26.903 23.376 0.747 0.758 429370 27.066 22.349 4.149 0.754 29471 27.069 22.048 0.725 0.726 -40009 27.079 21.281 0.963 0.753 176315 27.113 20.797 -0.287 0.754 26667 27.155 33.094 5.418 0.762 -30900 27.155 27.152 0.763 0.762 1898544 27.178 26.387 -0.141 0.752 45111 27.197 25.801 0.262 0.748 20895 27.210 28.701 1.646 0.748 64987 27.295 23.748 0.623 6.578 -16977 27.310 18.771 3.017 7.212 26907 27.328 21.323 1.100 6.573 -16887 27.481 21.197 0.973 7.113 -39798 27.975 23.708 0.636 7.154 -24092 27.983 18.834 3.008 7.268 24799 28.303 28.256 0.136 7.138 1583562 28.340 28.327 -0.099 6.907 65326 28.347 16.605 4.489 7.138 -75244 28.367 16.500 4.603 7.194 -91055 28.398 18.449 3.025 7.157 80647 28.400 23.728 0.623 6.882 -39962 28.581 26.396 0.388 6.870 -14756 28.591 28.443 -0.111 6.880 40524 28.825 15.925 -0.111 6.889 76100 28.838 15.912 -0.080 6.923 38606 28.864 28.839 0.027 7.031 92954 28.891 23.307 0.777 0.756 -47505 29.186 29.233 0.348 7.349 48744 29.217 29.228 -0.312 6.690 341609 29.223 14.423 -0.176 6.689 167120 29.356 28.341 0.169 7.361 37825 30.107 16.541 0.036 6.927 -22000 32.713 32.719 2.050 0.843 -47779 33.100 32.776 2.128 0.866 -26008 33.500 19.696 4.638 0.829 -43983 33.735 19.693 1.787 0.846 40234 33.987 32.666 2.024 0.862 39871 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 3121.342 . . . 16364 4 2 C 13 C 2 3121.342 . . . 16364 4 3 H 1 HC 2 4197.272 . . . 16364 4 4 H 1 HC 1 8000 . . . 16364 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16364 4 stop_ save_