data_6190 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6190 _Entry.Title ; Solution Structure of apoCox11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-22 _Entry.Accession_date 2004-04-22 _Entry.Last_release_date 2004-06-30 _Entry.Original_release_date 2004-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 L. Banci . . . 6190 2 I. Bertini . . . 6190 3 F. Cantini . . . 6190 4 S. Ciofi-Baffoni . . . 6190 5 L. Gonnelli . . . 6190 6 S. Mangani . . . 6190 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6190 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 878 6190 '13C chemical shifts' 330 6190 '15N chemical shifts' 136 6190 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-06-30 2004-04-22 original author . 6190 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6190 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15181013 _Citation.Full_citation . _Citation.Title 'Solution structure of Cox11: A novel type of beta-immunoglobulin-like fold involved in CuB site formation of cytochrome c oxidase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Banci . . . 6190 1 2 I. Bertini . . . 6190 1 3 F. Cantini . . . 6190 1 4 S. Ciofi-Baffoni . . . 6190 1 5 L. Gonnelli . . . 6190 1 6 S. Mangani . . . 6190 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'immunoglobulin-like fold' 6190 1 'copper protein' 6190 1 'cytochrome c oxidase assembly' 6190 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ctaG _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ctaG _Assembly.Entry_ID 6190 _Assembly.ID 1 _Assembly.Name 'Cytochrome C oxidase assembly protein ctaG' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6190 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Cytochrome C oxidase assembly protein ctaG' 1 $ctaG . . . native . . . . . 6190 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SP0 . . . . . . 6190 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Cytochrome C oxidase assembly protein ctaG' system 6190 1 'Cytochrome C oxidase assembly protein ctaG' abbreviation 6190 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ctaG _Entity.Sf_category entity _Entity.Sf_framecode ctaG _Entity.Entry_ID 6190 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cytochrome C oxidase assembly protein ctaG' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVPLYDMFCRVTGYNGTTQR VEQASDLILDEKIKVTFDAN VAAGLPWEFVPVQRDIDVRI GETVQIMYRAKNLASTPTTG QATFNVTPMAAGAYFNKVQC FCFTETTLEPGEEMEMPVVF FVDPEIVKPVETQGIKTLTL SYTFYPREPSKPVAQVKAKA ENKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SO9 . "Solution Structure Of Apocox11, 30 Structures" . . . . . 100.00 164 100.00 100.00 5.70e-116 . . . . 6190 1 2 no PDB 1SP0 . "Solution Structure Of Apocox11" . . . . . 100.00 164 100.00 100.00 5.70e-116 . . . . 6190 1 3 no EMBL CAC45480 . "Putative cytochrome C oxidase assembly transmembrane protein [Sinorhizobium meliloti 1021]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 4 no EMBL CCM66608 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti Rm41]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 5 no EMBL CDH84806 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti RU11/001]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 6 no GB AEG03463 . "Cytochrome c oxidase assembly protein ctaG [Sinorhizobium meliloti BL225C]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 7 no GB AEG52377 . "Cytochrome c oxidase assembly protein ctaG [Sinorhizobium meliloti AK83]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 8 no GB AEH77844 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti SM11]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 9 no GB AGA05872 . "Cytochrome oxidase assembly factor [Sinorhizobium meliloti GR4]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 10 no GB AGG73486 . "Putative cytochrome C oxidase assembly transmembrane protein [Sinorhizobium meliloti 2011]" . . . . . 99.39 203 100.00 100.00 3.00e-115 . . . . 6190 1 11 no REF NP_385014 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti 1021]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 12 no REF WP_003532324 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti]" . . . . . 99.39 198 100.00 100.00 3.66e-115 . . . . 6190 1 13 no REF WP_010968908 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 14 no REF WP_015445564 . "Putative cytochrome C oxidase assembly transmembrane protein [Sinorhizobium meliloti]" . . . . . 99.39 203 100.00 100.00 3.00e-115 . . . . 6190 1 15 no REF WP_018094447 . "cytochrome C oxidase assembly protein [Sinorhizobium meliloti]" . . . . . 99.39 198 97.55 100.00 1.39e-113 . . . . 6190 1 16 no SP Q92RG6 . "RecName: Full=Cytochrome c oxidase assembly protein CtaG [Sinorhizobium meliloti 1021]" . . . . . 99.39 198 100.00 100.00 3.50e-115 . . . . 6190 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cytochrome C oxidase assembly protein ctaG' common 6190 1 'Cytochrome C oxidase assembly protein ctaG' abbreviation 6190 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 -12 MET . 6190 1 2 -11 VAL . 6190 1 3 -10 PRO . 6190 1 4 -9 LEU . 6190 1 5 -8 TYR . 6190 1 6 -7 ASP . 6190 1 7 -6 MET . 6190 1 8 -5 PHE . 6190 1 9 -4 CYS . 6190 1 10 -3 ARG . 6190 1 11 -2 VAL . 6190 1 12 -1 THR . 6190 1 13 1 GLY . 6190 1 14 2 TYR . 6190 1 15 3 ASN . 6190 1 16 4 GLY . 6190 1 17 5 THR . 6190 1 18 6 THR . 6190 1 19 7 GLN . 6190 1 20 8 ARG . 6190 1 21 9 VAL . 6190 1 22 10 GLU . 6190 1 23 11 GLN . 6190 1 24 12 ALA . 6190 1 25 13 SER . 6190 1 26 14 ASP . 6190 1 27 15 LEU . 6190 1 28 16 ILE . 6190 1 29 17 LEU . 6190 1 30 18 ASP . 6190 1 31 19 GLU . 6190 1 32 20 LYS . 6190 1 33 21 ILE . 6190 1 34 22 LYS . 6190 1 35 23 VAL . 6190 1 36 24 THR . 6190 1 37 25 PHE . 6190 1 38 26 ASP . 6190 1 39 27 ALA . 6190 1 40 28 ASN . 6190 1 41 29 VAL . 6190 1 42 30 ALA . 6190 1 43 31 ALA . 6190 1 44 32 GLY . 6190 1 45 33 LEU . 6190 1 46 34 PRO . 6190 1 47 35 TRP . 6190 1 48 36 GLU . 6190 1 49 37 PHE . 6190 1 50 38 VAL . 6190 1 51 39 PRO . 6190 1 52 40 VAL . 6190 1 53 41 GLN . 6190 1 54 42 ARG . 6190 1 55 43 ASP . 6190 1 56 44 ILE . 6190 1 57 45 ASP . 6190 1 58 46 VAL . 6190 1 59 47 ARG . 6190 1 60 48 ILE . 6190 1 61 49 GLY . 6190 1 62 50 GLU . 6190 1 63 51 THR . 6190 1 64 52 VAL . 6190 1 65 53 GLN . 6190 1 66 54 ILE . 6190 1 67 55 MET . 6190 1 68 56 TYR . 6190 1 69 57 ARG . 6190 1 70 58 ALA . 6190 1 71 59 LYS . 6190 1 72 60 ASN . 6190 1 73 61 LEU . 6190 1 74 62 ALA . 6190 1 75 63 SER . 6190 1 76 64 THR . 6190 1 77 65 PRO . 6190 1 78 66 THR . 6190 1 79 67 THR . 6190 1 80 68 GLY . 6190 1 81 69 GLN . 6190 1 82 70 ALA . 6190 1 83 71 THR . 6190 1 84 72 PHE . 6190 1 85 73 ASN . 6190 1 86 74 VAL . 6190 1 87 75 THR . 6190 1 88 76 PRO . 6190 1 89 77 MET . 6190 1 90 78 ALA . 6190 1 91 79 ALA . 6190 1 92 80 GLY . 6190 1 93 81 ALA . 6190 1 94 82 TYR . 6190 1 95 83 PHE . 6190 1 96 84 ASN . 6190 1 97 85 LYS . 6190 1 98 86 VAL . 6190 1 99 87 GLN . 6190 1 100 88 CYS . 6190 1 101 89 PHE . 6190 1 102 90 CYS . 6190 1 103 91 PHE . 6190 1 104 92 THR . 6190 1 105 93 GLU . 6190 1 106 94 THR . 6190 1 107 95 THR . 6190 1 108 96 LEU . 6190 1 109 97 GLU . 6190 1 110 98 PRO . 6190 1 111 99 GLY . 6190 1 112 100 GLU . 6190 1 113 101 GLU . 6190 1 114 102 MET . 6190 1 115 103 GLU . 6190 1 116 104 MET . 6190 1 117 105 PRO . 6190 1 118 106 VAL . 6190 1 119 107 VAL . 6190 1 120 108 PHE . 6190 1 121 109 PHE . 6190 1 122 110 VAL . 6190 1 123 111 ASP . 6190 1 124 112 PRO . 6190 1 125 113 GLU . 6190 1 126 114 ILE . 6190 1 127 115 VAL . 6190 1 128 116 LYS . 6190 1 129 117 PRO . 6190 1 130 118 VAL . 6190 1 131 119 GLU . 6190 1 132 120 THR . 6190 1 133 121 GLN . 6190 1 134 122 GLY . 6190 1 135 123 ILE . 6190 1 136 124 LYS . 6190 1 137 125 THR . 6190 1 138 126 LEU . 6190 1 139 127 THR . 6190 1 140 128 LEU . 6190 1 141 129 SER . 6190 1 142 130 TYR . 6190 1 143 131 THR . 6190 1 144 132 PHE . 6190 1 145 133 TYR . 6190 1 146 134 PRO . 6190 1 147 135 ARG . 6190 1 148 136 GLU . 6190 1 149 137 PRO . 6190 1 150 138 SER . 6190 1 151 139 LYS . 6190 1 152 140 PRO . 6190 1 153 141 VAL . 6190 1 154 142 ALA . 6190 1 155 143 GLN . 6190 1 156 144 VAL . 6190 1 157 145 LYS . 6190 1 158 146 ALA . 6190 1 159 147 LYS . 6190 1 160 148 ALA . 6190 1 161 149 GLU . 6190 1 162 150 ASN . 6190 1 163 151 LYS . 6190 1 164 152 LEU . 6190 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6190 1 . VAL 2 2 6190 1 . PRO 3 3 6190 1 . LEU 4 4 6190 1 . TYR 5 5 6190 1 . ASP 6 6 6190 1 . MET 7 7 6190 1 . PHE 8 8 6190 1 . CYS 9 9 6190 1 . ARG 10 10 6190 1 . VAL 11 11 6190 1 . THR 12 12 6190 1 . GLY 13 13 6190 1 . TYR 14 14 6190 1 . ASN 15 15 6190 1 . GLY 16 16 6190 1 . THR 17 17 6190 1 . THR 18 18 6190 1 . GLN 19 19 6190 1 . ARG 20 20 6190 1 . VAL 21 21 6190 1 . GLU 22 22 6190 1 . GLN 23 23 6190 1 . ALA 24 24 6190 1 . SER 25 25 6190 1 . ASP 26 26 6190 1 . LEU 27 27 6190 1 . ILE 28 28 6190 1 . LEU 29 29 6190 1 . ASP 30 30 6190 1 . GLU 31 31 6190 1 . LYS 32 32 6190 1 . ILE 33 33 6190 1 . LYS 34 34 6190 1 . VAL 35 35 6190 1 . THR 36 36 6190 1 . PHE 37 37 6190 1 . ASP 38 38 6190 1 . ALA 39 39 6190 1 . ASN 40 40 6190 1 . VAL 41 41 6190 1 . ALA 42 42 6190 1 . ALA 43 43 6190 1 . GLY 44 44 6190 1 . LEU 45 45 6190 1 . PRO 46 46 6190 1 . TRP 47 47 6190 1 . GLU 48 48 6190 1 . PHE 49 49 6190 1 . VAL 50 50 6190 1 . PRO 51 51 6190 1 . VAL 52 52 6190 1 . GLN 53 53 6190 1 . ARG 54 54 6190 1 . ASP 55 55 6190 1 . ILE 56 56 6190 1 . ASP 57 57 6190 1 . VAL 58 58 6190 1 . ARG 59 59 6190 1 . ILE 60 60 6190 1 . GLY 61 61 6190 1 . GLU 62 62 6190 1 . THR 63 63 6190 1 . VAL 64 64 6190 1 . GLN 65 65 6190 1 . ILE 66 66 6190 1 . MET 67 67 6190 1 . TYR 68 68 6190 1 . ARG 69 69 6190 1 . ALA 70 70 6190 1 . LYS 71 71 6190 1 . ASN 72 72 6190 1 . LEU 73 73 6190 1 . ALA 74 74 6190 1 . SER 75 75 6190 1 . THR 76 76 6190 1 . PRO 77 77 6190 1 . THR 78 78 6190 1 . THR 79 79 6190 1 . GLY 80 80 6190 1 . GLN 81 81 6190 1 . ALA 82 82 6190 1 . THR 83 83 6190 1 . PHE 84 84 6190 1 . ASN 85 85 6190 1 . VAL 86 86 6190 1 . THR 87 87 6190 1 . PRO 88 88 6190 1 . MET 89 89 6190 1 . ALA 90 90 6190 1 . ALA 91 91 6190 1 . GLY 92 92 6190 1 . ALA 93 93 6190 1 . TYR 94 94 6190 1 . PHE 95 95 6190 1 . ASN 96 96 6190 1 . LYS 97 97 6190 1 . VAL 98 98 6190 1 . GLN 99 99 6190 1 . CYS 100 100 6190 1 . PHE 101 101 6190 1 . CYS 102 102 6190 1 . PHE 103 103 6190 1 . THR 104 104 6190 1 . GLU 105 105 6190 1 . THR 106 106 6190 1 . THR 107 107 6190 1 . LEU 108 108 6190 1 . GLU 109 109 6190 1 . PRO 110 110 6190 1 . GLY 111 111 6190 1 . GLU 112 112 6190 1 . GLU 113 113 6190 1 . MET 114 114 6190 1 . GLU 115 115 6190 1 . MET 116 116 6190 1 . PRO 117 117 6190 1 . VAL 118 118 6190 1 . VAL 119 119 6190 1 . PHE 120 120 6190 1 . PHE 121 121 6190 1 . VAL 122 122 6190 1 . ASP 123 123 6190 1 . PRO 124 124 6190 1 . GLU 125 125 6190 1 . ILE 126 126 6190 1 . VAL 127 127 6190 1 . LYS 128 128 6190 1 . PRO 129 129 6190 1 . VAL 130 130 6190 1 . GLU 131 131 6190 1 . THR 132 132 6190 1 . GLN 133 133 6190 1 . GLY 134 134 6190 1 . ILE 135 135 6190 1 . LYS 136 136 6190 1 . THR 137 137 6190 1 . LEU 138 138 6190 1 . THR 139 139 6190 1 . LEU 140 140 6190 1 . SER 141 141 6190 1 . TYR 142 142 6190 1 . THR 143 143 6190 1 . PHE 144 144 6190 1 . TYR 145 145 6190 1 . PRO 146 146 6190 1 . ARG 147 147 6190 1 . GLU 148 148 6190 1 . PRO 149 149 6190 1 . SER 150 150 6190 1 . LYS 151 151 6190 1 . PRO 152 152 6190 1 . VAL 153 153 6190 1 . ALA 154 154 6190 1 . GLN 155 155 6190 1 . VAL 156 156 6190 1 . LYS 157 157 6190 1 . ALA 158 158 6190 1 . LYS 159 159 6190 1 . ALA 160 160 6190 1 . GLU 161 161 6190 1 . ASN 162 162 6190 1 . LYS 163 163 6190 1 . LEU 164 164 6190 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 6190 _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 $ctaG . 382 . . 'Sinorhizobium melilot' 'Sinorhizobium meliloti' . . Bacteria . Sinorhizobium melilot . . . . . . . . . . . . . . . . . . . . . 6190 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 6190 _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 $ctaG . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET21A . . . . . . 6190 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6190 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cytochrome C oxidase assembly protein ctaG' [U-15N] . . 1 $ctaG . . 1.5 . . mM . . . . 6190 1 2 DTT . . . . . . . 5 . . mM . . . . 6190 1 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6190 1 4 H2O . . . . . . . 90 . . % . . . . 6190 1 5 D2O . . . . . . . 10 . . % . . . . 6190 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6190 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cytochrome C oxidase assembly protein ctaG' '[U-95% 13C; U-98% 15N]' . . 1 $ctaG . . 1 . . mM . . . . 6190 2 2 DTT . . . . . . . 5 . . mM . . . . 6190 2 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6190 2 4 H2O . . . . . . . 90 . . % . . . . 6190 2 5 D2O . . . . . . . 10 . . % . . . . 6190 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6190 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cytochrome C oxidase assembly protein ctaG' '[U-95% 13C; U-98% 15N]' . . 1 $ctaG . . 2 . . mM . . . . 6190 3 2 DTT . . . . . . . 5 . . mM . . . . 6190 3 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6190 3 4 H2O . . . . . . . 90 . . % . . . . 6190 3 5 D2O . . . . . . . 10 . . % . . . . 6190 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6190 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 6190 1 temperature 298 . K 6190 1 'ionic strength' 20 . mM 6190 1 pressure 1 . atm 6190 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6190 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6190 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6190 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6190 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6190 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6190 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6190 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6190 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6190 _Software.ID 5 _Software.Name AMBER _Software.Version 5.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6190 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6190 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6190 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 500 . . . 6190 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 6190 _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 NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 4 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 5 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 6 '13C (H)CCH-TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 8 CBCANH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 9 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 10 HN(CA)CO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6190 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6190 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6190 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6190 1 C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6190 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6190 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6190 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 13 13 GLY N N 15 110.367 0.01 . . . . . . 1 . . . 6190 1 2 . 1 1 13 13 GLY H H 1 8.239 0.017 . . . . . . 1 . . . 6190 1 3 . 1 1 13 13 GLY HA2 H 1 3.819 0.007 . . . . . . 1 . . . 6190 1 4 . 1 1 13 13 GLY HA3 H 1 4.232 0.01 . . . . . . 1 . . . 6190 1 5 . 1 1 14 14 TYR N N 15 120.625 0.01 . . . . . . 2 . . . 6190 1 6 . 1 1 14 14 TYR H H 1 8.058 0.002 . . . . . . 2 . . . 6190 1 7 . 1 1 14 14 TYR HA H 1 4.404 0.01 . . . . . . 2 . . . 6190 1 8 . 1 1 15 15 ASN N N 15 122.776 0.01 . . . . . . 3 . . . 6190 1 9 . 1 1 15 15 ASN H H 1 8.321 0.01 . . . . . . 3 . . . 6190 1 10 . 1 1 15 15 ASN HA H 1 4.464 0.01 . . . . . . 3 . . . 6190 1 11 . 1 1 15 15 ASN HB2 H 1 2.693 0.01 . . . . . . 3 . . . 6190 1 12 . 1 1 15 15 ASN HB3 H 1 2.587 0.01 . . . . . . 3 . . . 6190 1 13 . 1 1 15 15 ASN ND2 N 15 111.360 0.01 . . . . . . 3 . . . 6190 1 14 . 1 1 15 15 ASN HD21 H 1 6.773 0.01 . . . . . . 3 . . . 6190 1 15 . 1 1 15 15 ASN HD22 H 1 7.456 0.01 . . . . . . 3 . . . 6190 1 16 . 1 1 16 16 GLY N N 15 107.720 0.01 . . . . . . 4 . . . 6190 1 17 . 1 1 16 16 GLY H H 1 7.596 0.001 . . . . . . 4 . . . 6190 1 18 . 1 1 16 16 GLY HA2 H 1 4.531 0.006 . . . . . . 4 . . . 6190 1 19 . 1 1 16 16 GLY HA3 H 1 3.827 0.009 . . . . . . 4 . . . 6190 1 20 . 1 1 17 17 THR N N 15 112.518 0.01 . . . . . . 5 . . . 6190 1 21 . 1 1 17 17 THR H H 1 7.968 0.005 . . . . . . 5 . . . 6190 1 22 . 1 1 17 17 THR HA H 1 4.335 0.009 . . . . . . 5 . . . 6190 1 23 . 1 1 17 17 THR HB H 1 4.130 0.01 . . . . . . 5 . . . 6190 1 24 . 1 1 17 17 THR HG21 H 1 1.111 0.01 . . . . . . 5 . . . 6190 1 25 . 1 1 17 17 THR HG22 H 1 1.111 0.01 . . . . . . 5 . . . 6190 1 26 . 1 1 17 17 THR HG23 H 1 1.111 0.01 . . . . . . 5 . . . 6190 1 27 . 1 1 18 18 THR N N 15 115.993 0.01 . . . . . . 6 . . . 6190 1 28 . 1 1 18 18 THR H H 1 8.069 0.001 . . . . . . 6 . . . 6190 1 29 . 1 1 18 18 THR HA H 1 4.242 0.003 . . . . . . 6 . . . 6190 1 30 . 1 1 18 18 THR HB H 1 4.020 0.01 . . . . . . 6 . . . 6190 1 31 . 1 1 18 18 THR HG21 H 1 1.086 0.003 . . . . . . 6 . . . 6190 1 32 . 1 1 18 18 THR HG22 H 1 1.086 0.003 . . . . . . 6 . . . 6190 1 33 . 1 1 18 18 THR HG23 H 1 1.086 0.003 . . . . . . 6 . . . 6190 1 34 . 1 1 19 19 GLN N N 15 122.776 0.01 . . . . . . 7 . . . 6190 1 35 . 1 1 19 19 GLN H H 1 8.265 0.006 . . . . . . 7 . . . 6190 1 36 . 1 1 19 19 GLN HA H 1 4.218 0.018 . . . . . . 7 . . . 6190 1 37 . 1 1 19 19 GLN HB2 H 1 1.955 0.007 . . . . . . 7 . . . 6190 1 38 . 1 1 19 19 GLN HB3 H 1 1.844 0.001 . . . . . . 7 . . . 6190 1 39 . 1 1 19 19 GLN HG2 H 1 2.211 0.001 . . . . . . 7 . . . 6190 1 40 . 1 1 19 19 GLN NE2 N 15 111.525 0.01 . . . . . . 7 . . . 6190 1 41 . 1 1 19 19 GLN HE21 H 1 7.385 0.01 . . . . . . 7 . . . 6190 1 42 . 1 1 19 19 GLN HE22 H 1 6.720 0.01 . . . . . . 7 . . . 6190 1 43 . 1 1 20 20 ARG N N 15 123.107 0.01 . . . . . . 8 . . . 6190 1 44 . 1 1 20 20 ARG H H 1 8.225 0.002 . . . . . . 8 . . . 6190 1 45 . 1 1 20 20 ARG CA C 13 55.741 0.01 . . . . . . 8 . . . 6190 1 46 . 1 1 20 20 ARG HA H 1 4.254 0.006 . . . . . . 8 . . . 6190 1 47 . 1 1 20 20 ARG CB C 13 27.832 0.01 . . . . . . 8 . . . 6190 1 48 . 1 1 20 20 ARG HB2 H 1 1.698 0.004 . . . . . . 8 . . . 6190 1 49 . 1 1 20 20 ARG HB3 H 1 1.601 0.004 . . . . . . 8 . . . 6190 1 50 . 1 1 20 20 ARG HG2 H 1 1.453 0.007 . . . . . . 8 . . . 6190 1 51 . 1 1 20 20 ARG HD2 H 1 2.760 0.01 . . . . . . 8 . . . 6190 1 52 . 1 1 21 21 VAL N N 15 122.114 0.01 . . . . . . 9 . . . 6190 1 53 . 1 1 21 21 VAL H H 1 8.144 0.006 . . . . . . 9 . . . 6190 1 54 . 1 1 21 21 VAL CA C 13 60.593 0.01 . . . . . . 9 . . . 6190 1 55 . 1 1 21 21 VAL HA H 1 3.996 0.008 . . . . . . 9 . . . 6190 1 56 . 1 1 21 21 VAL CB C 13 32.028 0.01 . . . . . . 9 . . . 6190 1 57 . 1 1 21 21 VAL HB H 1 1.857 0.008 . . . . . . 9 . . . 6190 1 58 . 1 1 21 21 VAL HG21 H 1 0.724 0.013 . . . . . . 9 . . . 6190 1 59 . 1 1 21 21 VAL HG22 H 1 0.724 0.013 . . . . . . 9 . . . 6190 1 60 . 1 1 21 21 VAL HG23 H 1 0.724 0.013 . . . . . . 9 . . . 6190 1 61 . 1 1 22 22 GLU N N 15 125.920 0.01 . . . . . . 10 . . . 6190 1 62 . 1 1 22 22 GLU H H 1 8.376 0.003 . . . . . . 10 . . . 6190 1 63 . 1 1 22 22 GLU CA C 13 55.205 0.01 . . . . . . 10 . . . 6190 1 64 . 1 1 22 22 GLU HA H 1 4.091 0.005 . . . . . . 10 . . . 6190 1 65 . 1 1 22 22 GLU HB2 H 1 1.867 0.01 . . . . . . 10 . . . 6190 1 66 . 1 1 22 22 GLU HB3 H 1 1.774 0.01 . . . . . . 10 . . . 6190 1 67 . 1 1 22 22 GLU HG2 H 1 2.111 0.007 . . . . . . 10 . . . 6190 1 68 . 1 1 23 23 GLN N N 15 120.956 0.01 . . . . . . 11 . . . 6190 1 69 . 1 1 23 23 GLN H H 1 8.372 0.009 . . . . . . 11 . . . 6190 1 70 . 1 1 23 23 GLN CA C 13 54.056 0.01 . . . . . . 11 . . . 6190 1 71 . 1 1 23 23 GLN HA H 1 3.946 0.009 . . . . . . 11 . . . 6190 1 72 . 1 1 23 23 GLN CB C 13 27.186 0.01 . . . . . . 11 . . . 6190 1 73 . 1 1 23 23 GLN HB2 H 1 1.984 0.010 . . . . . . 11 . . . 6190 1 74 . 1 1 23 23 GLN HB3 H 1 1.844 0.005 . . . . . . 11 . . . 6190 1 75 . 1 1 23 23 GLN HG2 H 1 2.314 0.008 . . . . . . 11 . . . 6190 1 76 . 1 1 23 23 GLN NE2 N 15 115.002 0.002 . . . . . . 11 . . . 6190 1 77 . 1 1 23 23 GLN HE21 H 1 7.495 0.009 . . . . . . 11 . . . 6190 1 78 . 1 1 23 23 GLN HE22 H 1 7.059 0.007 . . . . . . 11 . . . 6190 1 79 . 1 1 24 24 ALA N N 15 127.243 0.01 . . . . . . 12 . . . 6190 1 80 . 1 1 24 24 ALA H H 1 8.083 0.003 . . . . . . 12 . . . 6190 1 81 . 1 1 24 24 ALA CA C 13 51.310 0.01 . . . . . . 12 . . . 6190 1 82 . 1 1 24 24 ALA HA H 1 4.055 0.007 . . . . . . 12 . . . 6190 1 83 . 1 1 24 24 ALA HB1 H 1 1.152 0.007 . . . . . . 12 . . . 6190 1 84 . 1 1 24 24 ALA HB2 H 1 1.152 0.007 . . . . . . 12 . . . 6190 1 85 . 1 1 24 24 ALA HB3 H 1 1.152 0.007 . . . . . . 12 . . . 6190 1 86 . 1 1 24 24 ALA CB C 13 19.053 0.01 . . . . . . 12 . . . 6190 1 87 . 1 1 25 25 SER N N 15 112.849 0.01 . . . . . . 13 . . . 6190 1 88 . 1 1 25 25 SER H H 1 7.816 0.004 . . . . . . 13 . . . 6190 1 89 . 1 1 25 25 SER CA C 13 55.017 0.01 . . . . . . 13 . . . 6190 1 90 . 1 1 25 25 SER HA H 1 4.171 0.007 . . . . . . 13 . . . 6190 1 91 . 1 1 25 25 SER CB C 13 63.502 0.01 . . . . . . 13 . . . 6190 1 92 . 1 1 25 25 SER HB2 H 1 3.599 0.006 . . . . . . 13 . . . 6190 1 93 . 1 1 25 25 SER HB3 H 1 2.948 0.013 . . . . . . 13 . . . 6190 1 94 . 1 1 26 26 ASP N N 15 123.769 0.01 . . . . . . 14 . . . 6190 1 95 . 1 1 26 26 ASP H H 1 8.310 0.006 . . . . . . 14 . . . 6190 1 96 . 1 1 26 26 ASP CA C 13 54.123 0.01 . . . . . . 14 . . . 6190 1 97 . 1 1 26 26 ASP HA H 1 4.359 0.009 . . . . . . 14 . . . 6190 1 98 . 1 1 26 26 ASP CB C 13 37.135 0.01 . . . . . . 14 . . . 6190 1 99 . 1 1 26 26 ASP HB2 H 1 2.505 0.006 . . . . . . 14 . . . 6190 1 100 . 1 1 27 27 LEU N N 15 121.453 0.01 . . . . . . 15 . . . 6190 1 101 . 1 1 27 27 LEU H H 1 7.644 0.001 . . . . . . 15 . . . 6190 1 102 . 1 1 27 27 LEU CA C 13 53.477 0.01 . . . . . . 15 . . . 6190 1 103 . 1 1 27 27 LEU HA H 1 4.343 0.005 . . . . . . 15 . . . 6190 1 104 . 1 1 27 27 LEU CB C 13 42.678 0.01 . . . . . . 15 . . . 6190 1 105 . 1 1 27 27 LEU HB2 H 1 1.486 0.006 . . . . . . 15 . . . 6190 1 106 . 1 1 27 27 LEU HB3 H 1 1.309 0.009 . . . . . . 15 . . . 6190 1 107 . 1 1 27 27 LEU CG C 13 26.226 0.01 . . . . . . 15 . . . 6190 1 108 . 1 1 27 27 LEU HG H 1 1.214 0.013 . . . . . . 15 . . . 6190 1 109 . 1 1 27 27 LEU HD11 H 1 0.756 0.006 . . . . . . 15 . . . 6190 1 110 . 1 1 27 27 LEU HD12 H 1 0.756 0.006 . . . . . . 15 . . . 6190 1 111 . 1 1 27 27 LEU HD13 H 1 0.756 0.006 . . . . . . 15 . . . 6190 1 112 . 1 1 27 27 LEU HD21 H 1 0.724 0.007 . . . . . . 15 . . . 6190 1 113 . 1 1 27 27 LEU HD22 H 1 0.724 0.007 . . . . . . 15 . . . 6190 1 114 . 1 1 27 27 LEU HD23 H 1 0.724 0.007 . . . . . . 15 . . . 6190 1 115 . 1 1 28 28 ILE N N 15 125.093 0.01 . . . . . . 16 . . . 6190 1 116 . 1 1 28 28 ILE H H 1 8.034 0.010 . . . . . . 16 . . . 6190 1 117 . 1 1 28 28 ILE CA C 13 59.911 0.01 . . . . . . 16 . . . 6190 1 118 . 1 1 28 28 ILE HA H 1 4.264 0.009 . . . . . . 16 . . . 6190 1 119 . 1 1 28 28 ILE CB C 13 38.80 0.01 . . . . . . 16 . . . 6190 1 120 . 1 1 28 28 ILE HB H 1 1.455 0.005 . . . . . . 16 . . . 6190 1 121 . 1 1 28 28 ILE HG21 H 1 0.667 0.008 . . . . . . 16 . . . 6190 1 122 . 1 1 28 28 ILE HG22 H 1 0.667 0.008 . . . . . . 16 . . . 6190 1 123 . 1 1 28 28 ILE HG23 H 1 0.667 0.008 . . . . . . 16 . . . 6190 1 124 . 1 1 28 28 ILE CG1 C 13 26.133 0.01 . . . . . . 16 . . . 6190 1 125 . 1 1 28 28 ILE HG12 H 1 0.550 0.008 . . . . . . 16 . . . 6190 1 126 . 1 1 28 28 ILE HG13 H 1 1.250 0.007 . . . . . . 16 . . . 6190 1 127 . 1 1 28 28 ILE HD11 H 1 0.703 0.007 . . . . . . 16 . . . 6190 1 128 . 1 1 28 28 ILE HD12 H 1 0.703 0.007 . . . . . . 16 . . . 6190 1 129 . 1 1 28 28 ILE HD13 H 1 0.703 0.007 . . . . . . 16 . . . 6190 1 130 . 1 1 28 28 ILE CD1 C 13 12.456 0.01 . . . . . . 16 . . . 6190 1 131 . 1 1 29 29 LEU N N 15 126.913 0.01 . . . . . . 17 . . . 6190 1 132 . 1 1 29 29 LEU H H 1 8.795 0.009 . . . . . . 17 . . . 6190 1 133 . 1 1 29 29 LEU CA C 13 52.667 0.01 . . . . . . 17 . . . 6190 1 134 . 1 1 29 29 LEU HA H 1 4.425 0.005 . . . . . . 17 . . . 6190 1 135 . 1 1 29 29 LEU CB C 13 41.767 0.01 . . . . . . 17 . . . 6190 1 136 . 1 1 29 29 LEU HB2 H 1 1.768 0.015 . . . . . . 17 . . . 6190 1 137 . 1 1 29 29 LEU HB3 H 1 1.831 0.005 . . . . . . 17 . . . 6190 1 138 . 1 1 29 29 LEU CG C 13 26.307 0.01 . . . . . . 17 . . . 6190 1 139 . 1 1 29 29 LEU HG H 1 1.476 0.009 . . . . . . 17 . . . 6190 1 140 . 1 1 29 29 LEU HD11 H 1 0.896 0.006 . . . . . . 17 . . . 6190 1 141 . 1 1 29 29 LEU HD12 H 1 0.896 0.006 . . . . . . 17 . . . 6190 1 142 . 1 1 29 29 LEU HD13 H 1 0.896 0.006 . . . . . . 17 . . . 6190 1 143 . 1 1 29 29 LEU HD21 H 1 0.763 0.009 . . . . . . 17 . . . 6190 1 144 . 1 1 29 29 LEU HD22 H 1 0.763 0.009 . . . . . . 17 . . . 6190 1 145 . 1 1 29 29 LEU HD23 H 1 0.763 0.009 . . . . . . 17 . . . 6190 1 146 . 1 1 29 29 LEU CD1 C 13 20.900 0.01 . . . . . . 17 . . . 6190 1 147 . 1 1 29 29 LEU CD2 C 13 24.620 0.01 . . . . . . 17 . . . 6190 1 148 . 1 1 30 30 ASP N N 15 117.151 0.01 . . . . . . 18 . . . 6190 1 149 . 1 1 30 30 ASP H H 1 8.240 0.001 . . . . . . 18 . . . 6190 1 150 . 1 1 30 30 ASP CA C 13 53.813 0.01 . . . . . . 18 . . . 6190 1 151 . 1 1 30 30 ASP HA H 1 4.476 0.013 . . . . . . 18 . . . 6190 1 152 . 1 1 30 30 ASP CB C 13 39.964 0.01 . . . . . . 18 . . . 6190 1 153 . 1 1 30 30 ASP HB2 H 1 2.587 0.006 . . . . . . 18 . . . 6190 1 154 . 1 1 30 30 ASP HB3 H 1 2.404 0.006 . . . . . . 18 . . . 6190 1 155 . 1 1 31 31 GLU N N 15 119.304 0.002 . . . . . . 19 . . . 6190 1 156 . 1 1 31 31 GLU H H 1 7.395 0.004 . . . . . . 19 . . . 6190 1 157 . 1 1 31 31 GLU CA C 13 55.737 0.01 . . . . . . 19 . . . 6190 1 158 . 1 1 31 31 GLU HA H 1 4.086 0.003 . . . . . . 19 . . . 6190 1 159 . 1 1 31 31 GLU CB C 13 30.655 0.01 . . . . . . 19 . . . 6190 1 160 . 1 1 31 31 GLU HB2 H 1 1.804 0.012 . . . . . . 19 . . . 6190 1 161 . 1 1 31 31 GLU HB3 H 1 1.880 0.006 . . . . . . 19 . . . 6190 1 162 . 1 1 31 31 GLU CG C 13 35.377 0.01 . . . . . . 19 . . . 6190 1 163 . 1 1 31 31 GLU HG2 H 1 2.188 0.003 . . . . . . 19 . . . 6190 1 164 . 1 1 32 32 LYS N N 15 120.460 0.01 . . . . . . 20 . . . 6190 1 165 . 1 1 32 32 LYS H H 1 8.139 0.004 . . . . . . 20 . . . 6190 1 166 . 1 1 32 32 LYS CA C 13 53.946 0.01 . . . . . . 20 . . . 6190 1 167 . 1 1 32 32 LYS HA H 1 5.122 0.003 . . . . . . 20 . . . 6190 1 168 . 1 1 32 32 LYS CB C 13 34.942 0.01 . . . . . . 20 . . . 6190 1 169 . 1 1 32 32 LYS HB2 H 1 1.538 0.007 . . . . . . 20 . . . 6190 1 170 . 1 1 32 32 LYS HB3 H 1 1.452 0.006 . . . . . . 20 . . . 6190 1 171 . 1 1 32 32 LYS CG C 13 24.583 0.01 . . . . . . 20 . . . 6190 1 172 . 1 1 32 32 LYS HG2 H 1 1.410 0.004 . . . . . . 20 . . . 6190 1 173 . 1 1 32 32 LYS HG3 H 1 0.986 0.009 . . . . . . 20 . . . 6190 1 174 . 1 1 32 32 LYS CD C 13 28.421 0.01 . . . . . . 20 . . . 6190 1 175 . 1 1 32 32 LYS HD2 H 1 1.424 0.009 . . . . . . 20 . . . 6190 1 176 . 1 1 32 32 LYS HE2 H 1 2.798 0.012 . . . . . . 20 . . . 6190 1 177 . 1 1 33 33 ILE N N 15 119.625 0.010 . . . . . . 21 . . . 6190 1 178 . 1 1 33 33 ILE H H 1 9.046 0.007 . . . . . . 21 . . . 6190 1 179 . 1 1 33 33 ILE CA C 13 58.791 0.01 . . . . . . 21 . . . 6190 1 180 . 1 1 33 33 ILE HA H 1 4.363 0.005 . . . . . . 21 . . . 6190 1 181 . 1 1 33 33 ILE CB C 13 42.008 0.01 . . . . . . 21 . . . 6190 1 182 . 1 1 33 33 ILE HB H 1 1.393 0.005 . . . . . . 21 . . . 6190 1 183 . 1 1 33 33 ILE HG21 H 1 0.681 0.007 . . . . . . 21 . . . 6190 1 184 . 1 1 33 33 ILE HG22 H 1 0.681 0.007 . . . . . . 21 . . . 6190 1 185 . 1 1 33 33 ILE HG23 H 1 0.681 0.007 . . . . . . 21 . . . 6190 1 186 . 1 1 33 33 ILE CG1 C 13 22.573 0.01 . . . . . . 21 . . . 6190 1 187 . 1 1 33 33 ILE HG12 H 1 0.964 0.004 . . . . . . 21 . . . 6190 1 188 . 1 1 33 33 ILE HG13 H 1 1.379 0.003 . . . . . . 21 . . . 6190 1 189 . 1 1 33 33 ILE HD11 H 1 0.676 0.010 . . . . . . 21 . . . 6190 1 190 . 1 1 33 33 ILE HD12 H 1 0.676 0.010 . . . . . . 21 . . . 6190 1 191 . 1 1 33 33 ILE HD13 H 1 0.676 0.010 . . . . . . 21 . . . 6190 1 192 . 1 1 33 33 ILE CD1 C 13 13.742 0.01 . . . . . . 21 . . . 6190 1 193 . 1 1 34 34 LYS N N 15 126.416 0.01 . . . . . . 22 . . . 6190 1 194 . 1 1 34 34 LYS H H 1 7.737 0.003 . . . . . . 22 . . . 6190 1 195 . 1 1 34 34 LYS CA C 13 54.094 0.01 . . . . . . 22 . . . 6190 1 196 . 1 1 34 34 LYS HA H 1 5.152 0.007 . . . . . . 22 . . . 6190 1 197 . 1 1 34 34 LYS CB C 13 31.967 0.01 . . . . . . 22 . . . 6190 1 198 . 1 1 34 34 LYS HB2 H 1 1.747 0.007 . . . . . . 22 . . . 6190 1 199 . 1 1 34 34 LYS CG C 13 22.568 0.01 . . . . . . 22 . . . 6190 1 200 . 1 1 34 34 LYS HG2 H 1 1.117 0.006 . . . . . . 22 . . . 6190 1 201 . 1 1 34 34 LYS HG3 H 1 1.268 0.004 . . . . . . 22 . . . 6190 1 202 . 1 1 34 34 LYS CD C 13 26.944 0.01 . . . . . . 22 . . . 6190 1 203 . 1 1 34 34 LYS HD2 H 1 1.594 0.007 . . . . . . 22 . . . 6190 1 204 . 1 1 34 34 LYS HD3 H 1 1.452 0.004 . . . . . . 22 . . . 6190 1 205 . 1 1 34 34 LYS HE2 H 1 2.830 0.007 . . . . . . 22 . . . 6190 1 206 . 1 1 35 35 VAL N N 15 129.560 0.01 . . . . . . 23 . . . 6190 1 207 . 1 1 35 35 VAL H H 1 9.152 0.002 . . . . . . 23 . . . 6190 1 208 . 1 1 35 35 VAL HA H 1 4.676 0.006 . . . . . . 23 . . . 6190 1 209 . 1 1 35 35 VAL CB C 13 31.962 0.01 . . . . . . 23 . . . 6190 1 210 . 1 1 35 35 VAL HB H 1 1.882 0.009 . . . . . . 23 . . . 6190 1 211 . 1 1 35 35 VAL HG11 H 1 0.893 0.008 . . . . . . 23 . . . 6190 1 212 . 1 1 35 35 VAL HG12 H 1 0.893 0.008 . . . . . . 23 . . . 6190 1 213 . 1 1 35 35 VAL HG13 H 1 0.893 0.008 . . . . . . 23 . . . 6190 1 214 . 1 1 35 35 VAL HG21 H 1 0.291 0.008 . . . . . . 23 . . . 6190 1 215 . 1 1 35 35 VAL HG22 H 1 0.291 0.008 . . . . . . 23 . . . 6190 1 216 . 1 1 35 35 VAL HG23 H 1 0.291 0.008 . . . . . . 23 . . . 6190 1 217 . 1 1 35 35 VAL CG1 C 13 18.905 0.01 . . . . . . 23 . . . 6190 1 218 . 1 1 35 35 VAL CG2 C 13 17.788 0.01 . . . . . . 23 . . . 6190 1 219 . 1 1 36 36 THR N N 15 120.108 0.027 . . . . . . 24 . . . 6190 1 220 . 1 1 36 36 THR H H 1 8.738 0.005 . . . . . . 24 . . . 6190 1 221 . 1 1 36 36 THR CA C 13 59.393 0.01 . . . . . . 24 . . . 6190 1 222 . 1 1 36 36 THR HA H 1 4.576 0.004 . . . . . . 24 . . . 6190 1 223 . 1 1 36 36 THR CB C 13 68.919 0.01 . . . . . . 24 . . . 6190 1 224 . 1 1 36 36 THR HB H 1 4.045 0.004 . . . . . . 24 . . . 6190 1 225 . 1 1 36 36 THR HG21 H 1 1.018 0.012 . . . . . . 24 . . . 6190 1 226 . 1 1 36 36 THR HG22 H 1 1.018 0.012 . . . . . . 24 . . . 6190 1 227 . 1 1 36 36 THR HG23 H 1 1.018 0.012 . . . . . . 24 . . . 6190 1 228 . 1 1 36 36 THR CG2 C 13 20.617 0.01 . . . . . . 24 . . . 6190 1 229 . 1 1 37 37 PHE N N 15 120.460 0.01 . . . . . . 25 . . . 6190 1 230 . 1 1 37 37 PHE H H 1 7.899 0.004 . . . . . . 25 . . . 6190 1 231 . 1 1 37 37 PHE CA C 13 56.587 0.01 . . . . . . 25 . . . 6190 1 232 . 1 1 37 37 PHE HA H 1 5.440 0.007 . . . . . . 25 . . . 6190 1 233 . 1 1 37 37 PHE CB C 13 40.114 0.01 . . . . . . 25 . . . 6190 1 234 . 1 1 37 37 PHE HB2 H 1 3.278 0.010 . . . . . . 25 . . . 6190 1 235 . 1 1 37 37 PHE HB3 H 1 2.706 0.006 . . . . . . 25 . . . 6190 1 236 . 1 1 37 37 PHE HZ H 1 7.125 0.003 . . . . . . 25 . . . 6190 1 237 . 1 1 37 37 PHE HD1 H 1 7.346 0.008 . . . . . . 25 . . . 6190 1 238 . 1 1 37 37 PHE HE1 H 1 6.968 0.006 . . . . . . 25 . . . 6190 1 239 . 1 1 38 38 ASP N N 15 121.618 0.01 . . . . . . 26 . . . 6190 1 240 . 1 1 38 38 ASP H H 1 9.168 0.005 . . . . . . 26 . . . 6190 1 241 . 1 1 38 38 ASP CA C 13 51.330 0.01 . . . . . . 26 . . . 6190 1 242 . 1 1 38 38 ASP HA H 1 5.158 0.005 . . . . . . 26 . . . 6190 1 243 . 1 1 38 38 ASP CB C 13 43.968 0.01 . . . . . . 26 . . . 6190 1 244 . 1 1 38 38 ASP HB2 H 1 2.528 0.005 . . . . . . 26 . . . 6190 1 245 . 1 1 38 38 ASP HB3 H 1 2.402 0.004 . . . . . . 26 . . . 6190 1 246 . 1 1 39 39 ALA N N 15 127.740 0.01 . . . . . . 27 . . . 6190 1 247 . 1 1 39 39 ALA H H 1 8.838 0.005 . . . . . . 27 . . . 6190 1 248 . 1 1 39 39 ALA CA C 13 50.267 0.01 . . . . . . 27 . . . 6190 1 249 . 1 1 39 39 ALA HA H 1 5.300 0.007 . . . . . . 27 . . . 6190 1 250 . 1 1 39 39 ALA HB1 H 1 0.992 0.008 . . . . . . 27 . . . 6190 1 251 . 1 1 39 39 ALA HB2 H 1 0.992 0.008 . . . . . . 27 . . . 6190 1 252 . 1 1 39 39 ALA HB3 H 1 0.992 0.008 . . . . . . 27 . . . 6190 1 253 . 1 1 39 39 ALA CB C 13 23.656 0.01 . . . . . . 27 . . . 6190 1 254 . 1 1 40 40 ASN N N 15 117.813 0.01 . . . . . . 28 . . . 6190 1 255 . 1 1 40 40 ASN H H 1 8.773 0.003 . . . . . . 28 . . . 6190 1 256 . 1 1 40 40 ASN CA C 13 51.528 0.01 . . . . . . 28 . . . 6190 1 257 . 1 1 40 40 ASN HA H 1 5.231 0.007 . . . . . . 28 . . . 6190 1 258 . 1 1 40 40 ASN CB C 13 41.826 0.01 . . . . . . 28 . . . 6190 1 259 . 1 1 40 40 ASN HB2 H 1 2.915 0.009 . . . . . . 28 . . . 6190 1 260 . 1 1 40 40 ASN HB3 H 1 2.603 0.006 . . . . . . 28 . . . 6190 1 261 . 1 1 40 40 ASN ND2 N 15 113.979 0.038 . . . . . . 28 . . . 6190 1 262 . 1 1 40 40 ASN HD21 H 1 6.867 0.007 . . . . . . 28 . . . 6190 1 263 . 1 1 40 40 ASN HD22 H 1 6.685 0.004 . . . . . . 28 . . . 6190 1 264 . 1 1 41 41 VAL N N 15 120.460 0.01 . . . . . . 29 . . . 6190 1 265 . 1 1 41 41 VAL H H 1 8.797 0.005 . . . . . . 29 . . . 6190 1 266 . 1 1 41 41 VAL CA C 13 60.214 0.01 . . . . . . 29 . . . 6190 1 267 . 1 1 41 41 VAL HA H 1 4.546 0.011 . . . . . . 29 . . . 6190 1 268 . 1 1 41 41 VAL CB C 13 33.285 0.01 . . . . . . 29 . . . 6190 1 269 . 1 1 41 41 VAL HB H 1 2.063 0.005 . . . . . . 29 . . . 6190 1 270 . 1 1 41 41 VAL CG1 C 13 21.858 0.01 . . . . . . 29 . . . 6190 1 271 . 1 1 41 41 VAL HG11 H 1 1.163 0.007 . . . . . . 29 . . . 6190 1 272 . 1 1 41 41 VAL HG12 H 1 1.163 0.007 . . . . . . 29 . . . 6190 1 273 . 1 1 41 41 VAL HG13 H 1 1.163 0.007 . . . . . . 29 . . . 6190 1 274 . 1 1 42 42 ALA N N 15 130.718 0.01 . . . . . . 30 . . . 6190 1 275 . 1 1 42 42 ALA H H 1 8.382 0.002 . . . . . . 30 . . . 6190 1 276 . 1 1 42 42 ALA CA C 13 50.279 0.01 . . . . . . 30 . . . 6190 1 277 . 1 1 42 42 ALA HA H 1 4.184 0.004 . . . . . . 30 . . . 6190 1 278 . 1 1 42 42 ALA HB1 H 1 1.035 0.003 . . . . . . 30 . . . 6190 1 279 . 1 1 42 42 ALA HB2 H 1 1.035 0.003 . . . . . . 30 . . . 6190 1 280 . 1 1 42 42 ALA HB3 H 1 1.035 0.003 . . . . . . 30 . . . 6190 1 281 . 1 1 42 42 ALA CB C 13 20.600 0.01 . . . . . . 30 . . . 6190 1 282 . 1 1 43 43 ALA N N 15 119.613 0.01 . . . . . . 31 . . . 6190 1 283 . 1 1 43 43 ALA H H 1 8.061 0.006 . . . . . . 31 . . . 6190 1 284 . 1 1 43 43 ALA CA C 13 52.129 0.01 . . . . . . 31 . . . 6190 1 285 . 1 1 43 43 ALA HA H 1 3.942 0.008 . . . . . . 31 . . . 6190 1 286 . 1 1 43 43 ALA HB1 H 1 1.270 0.005 . . . . . . 31 . . . 6190 1 287 . 1 1 43 43 ALA HB2 H 1 1.270 0.005 . . . . . . 31 . . . 6190 1 288 . 1 1 43 43 ALA HB3 H 1 1.270 0.005 . . . . . . 31 . . . 6190 1 289 . 1 1 43 43 ALA CB C 13 17.163 0.01 . . . . . . 31 . . . 6190 1 290 . 1 1 44 44 GLY N N 15 105.735 0.01 . . . . . . 32 . . . 6190 1 291 . 1 1 44 44 GLY H H 1 8.399 0.005 . . . . . . 32 . . . 6190 1 292 . 1 1 44 44 GLY CA C 13 42.393 0.01 . . . . . . 32 . . . 6190 1 293 . 1 1 44 44 GLY HA2 H 1 3.509 0.008 . . . . . . 32 . . . 6190 1 294 . 1 1 44 44 GLY HA3 H 1 4.126 0.005 . . . . . . 32 . . . 6190 1 295 . 1 1 45 45 LEU N N 15 122.280 0.01 . . . . . . 33 . . . 6190 1 296 . 1 1 45 45 LEU H H 1 7.241 0.004 . . . . . . 33 . . . 6190 1 297 . 1 1 45 45 LEU HA H 1 4.657 0.008 . . . . . . 33 . . . 6190 1 298 . 1 1 45 45 LEU CB C 13 43.045 0.01 . . . . . . 33 . . . 6190 1 299 . 1 1 45 45 LEU HB2 H 1 1.834 0.005 . . . . . . 33 . . . 6190 1 300 . 1 1 45 45 LEU HB3 H 1 0.326 0.007 . . . . . . 33 . . . 6190 1 301 . 1 1 45 45 LEU CG C 13 21.406 0.01 . . . . . . 33 . . . 6190 1 302 . 1 1 45 45 LEU HG H 1 -0.233 0.005 . . . . . . 33 . . . 6190 1 303 . 1 1 45 45 LEU HD11 H 1 -0.142 0.003 . . . . . . 33 . . . 6190 1 304 . 1 1 45 45 LEU HD12 H 1 -0.142 0.003 . . . . . . 33 . . . 6190 1 305 . 1 1 45 45 LEU HD13 H 1 -0.142 0.003 . . . . . . 33 . . . 6190 1 306 . 1 1 45 45 LEU HD21 H 1 -0.681 0.006 . . . . . . 33 . . . 6190 1 307 . 1 1 45 45 LEU HD22 H 1 -0.681 0.006 . . . . . . 33 . . . 6190 1 308 . 1 1 45 45 LEU HD23 H 1 -0.681 0.006 . . . . . . 33 . . . 6190 1 309 . 1 1 45 45 LEU CD1 C 13 24.812 0.01 . . . . . . 33 . . . 6190 1 310 . 1 1 45 45 LEU CD2 C 13 25.242 0.01 . . . . . . 33 . . . 6190 1 311 . 1 1 46 46 PRO CA C 13 61.491 0.01 . . . . . . 34 . . . 6190 1 312 . 1 1 46 46 PRO HA H 1 4.826 0.005 . . . . . . 34 . . . 6190 1 313 . 1 1 46 46 PRO CB C 13 27.893 0.01 . . . . . . 34 . . . 6190 1 314 . 1 1 46 46 PRO HB2 H 1 2.194 0.01 . . . . . . 34 . . . 6190 1 315 . 1 1 46 46 PRO HB3 H 1 2.141 0.01 . . . . . . 34 . . . 6190 1 316 . 1 1 46 46 PRO CG C 13 26.908 0.01 . . . . . . 34 . . . 6190 1 317 . 1 1 46 46 PRO HG2 H 1 2.478 0.01 . . . . . . 34 . . . 6190 1 318 . 1 1 46 46 PRO HG3 H 1 1.727 0.01 . . . . . . 34 . . . 6190 1 319 . 1 1 46 46 PRO HD2 H 1 3.722 0.01 . . . . . . 34 . . . 6190 1 320 . 1 1 46 46 PRO HD3 H 1 3.446 0.01 . . . . . . 34 . . . 6190 1 321 . 1 1 47 47 TRP N N 15 120.129 0.01 . . . . . . 35 . . . 6190 1 322 . 1 1 47 47 TRP H H 1 7.964 0.003 . . . . . . 35 . . . 6190 1 323 . 1 1 47 47 TRP CA C 13 51.957 0.01 . . . . . . 35 . . . 6190 1 324 . 1 1 47 47 TRP HA H 1 5.963 0.009 . . . . . . 35 . . . 6190 1 325 . 1 1 47 47 TRP CB C 13 31.844 0.01 . . . . . . 35 . . . 6190 1 326 . 1 1 47 47 TRP HB2 H 1 2.895 0.008 . . . . . . 35 . . . 6190 1 327 . 1 1 47 47 TRP HB3 H 1 2.411 0.011 . . . . . . 35 . . . 6190 1 328 . 1 1 47 47 TRP NE1 N 15 127.409 0.01 . . . . . . 35 . . . 6190 1 329 . 1 1 47 47 TRP HD1 H 1 6.733 0.009 . . . . . . 35 . . . 6190 1 330 . 1 1 47 47 TRP HE3 H 1 6.008 0.004 . . . . . . 35 . . . 6190 1 331 . 1 1 47 47 TRP HE1 H 1 10.125 0.004 . . . . . . 35 . . . 6190 1 332 . 1 1 47 47 TRP HZ3 H 1 4.104 0.005 . . . . . . 35 . . . 6190 1 333 . 1 1 47 47 TRP HZ2 H 1 6.994 0.006 . . . . . . 35 . . . 6190 1 334 . 1 1 47 47 TRP HH2 H 1 6.238 0.009 . . . . . . 35 . . . 6190 1 335 . 1 1 48 48 GLU N N 15 119.964 0.01 . . . . . . 36 . . . 6190 1 336 . 1 1 48 48 GLU H H 1 8.767 0.002 . . . . . . 36 . . . 6190 1 337 . 1 1 48 48 GLU HA H 1 4.591 0.005 . . . . . . 36 . . . 6190 1 338 . 1 1 48 48 GLU CB C 13 30.825 0.01 . . . . . . 36 . . . 6190 1 339 . 1 1 48 48 GLU HB2 H 1 1.878 0.004 . . . . . . 36 . . . 6190 1 340 . 1 1 48 48 GLU CG C 13 35.782 0.01 . . . . . . 36 . . . 6190 1 341 . 1 1 48 48 GLU HG2 H 1 2.185 0.005 . . . . . . 36 . . . 6190 1 342 . 1 1 48 48 GLU HG3 H 1 2.046 0.003 . . . . . . 36 . . . 6190 1 343 . 1 1 49 49 PHE N N 15 127.905 0.01 . . . . . . 37 . . . 6190 1 344 . 1 1 49 49 PHE H H 1 8.664 0.002 . . . . . . 37 . . . 6190 1 345 . 1 1 49 49 PHE CA C 13 54.128 0.01 . . . . . . 37 . . . 6190 1 346 . 1 1 49 49 PHE HA H 1 5.920 0.006 . . . . . . 37 . . . 6190 1 347 . 1 1 49 49 PHE CB C 13 40.406 0.01 . . . . . . 37 . . . 6190 1 348 . 1 1 49 49 PHE HB2 H 1 3.020 0.007 . . . . . . 37 . . . 6190 1 349 . 1 1 49 49 PHE HB3 H 1 2.893 0.010 . . . . . . 37 . . . 6190 1 350 . 1 1 49 49 PHE HZ H 1 6.844 0.002 . . . . . . 37 . . . 6190 1 351 . 1 1 49 49 PHE HD1 H 1 7.374 0.005 . . . . . . 37 . . . 6190 1 352 . 1 1 49 49 PHE HE1 H 1 7.174 0.007 . . . . . . 37 . . . 6190 1 353 . 1 1 50 50 VAL N N 15 119.633 0.01 . . . . . . 38 . . . 6190 1 354 . 1 1 50 50 VAL H H 1 8.566 0.001 . . . . . . 38 . . . 6190 1 355 . 1 1 50 50 VAL CA C 13 56.424 0.01 . . . . . . 38 . . . 6190 1 356 . 1 1 50 50 VAL HA H 1 4.622 0.003 . . . . . . 38 . . . 6190 1 357 . 1 1 50 50 VAL CB C 13 33.513 0.01 . . . . . . 38 . . . 6190 1 358 . 1 1 50 50 VAL HB H 1 1.922 0.008 . . . . . . 38 . . . 6190 1 359 . 1 1 50 50 VAL HG11 H 1 0.587 0.007 . . . . . . 38 . . . 6190 1 360 . 1 1 50 50 VAL HG12 H 1 0.587 0.007 . . . . . . 38 . . . 6190 1 361 . 1 1 50 50 VAL HG13 H 1 0.587 0.007 . . . . . . 38 . . . 6190 1 362 . 1 1 50 50 VAL HG21 H 1 0.794 0.009 . . . . . . 38 . . . 6190 1 363 . 1 1 50 50 VAL HG22 H 1 0.794 0.009 . . . . . . 38 . . . 6190 1 364 . 1 1 50 50 VAL HG23 H 1 0.794 0.009 . . . . . . 38 . . . 6190 1 365 . 1 1 50 50 VAL CG1 C 13 17.213 0.01 . . . . . . 38 . . . 6190 1 366 . 1 1 50 50 VAL CG2 C 13 20.409 0.01 . . . . . . 38 . . . 6190 1 367 . 1 1 51 51 PRO CD C 13 48.461 0.01 . . . . . . 39 . . . 6190 1 368 . 1 1 51 51 PRO CA C 13 62.213 0.01 . . . . . . 39 . . . 6190 1 369 . 1 1 51 51 PRO HA H 1 3.706 0.01 . . . . . . 39 . . . 6190 1 370 . 1 1 51 51 PRO CB C 13 30.663 0.01 . . . . . . 39 . . . 6190 1 371 . 1 1 51 51 PRO HB2 H 1 1.766 0.01 . . . . . . 39 . . . 6190 1 372 . 1 1 51 51 PRO CG C 13 20.100 0.01 . . . . . . 39 . . . 6190 1 373 . 1 1 51 51 PRO HG2 H 1 1.833 0.006 . . . . . . 39 . . . 6190 1 374 . 1 1 51 51 PRO HG3 H 1 1.607 0.004 . . . . . . 39 . . . 6190 1 375 . 1 1 51 51 PRO HD2 H 1 3.410 0.004 . . . . . . 39 . . . 6190 1 376 . 1 1 51 51 PRO HD3 H 1 3.529 0.006 . . . . . . 39 . . . 6190 1 377 . 1 1 52 52 VAL N N 15 122.942 0.01 . . . . . . 40 . . . 6190 1 378 . 1 1 52 52 VAL H H 1 8.093 0.004 . . . . . . 40 . . . 6190 1 379 . 1 1 52 52 VAL CA C 13 63.962 0.01 . . . . . . 40 . . . 6190 1 380 . 1 1 52 52 VAL HA H 1 3.411 0.006 . . . . . . 40 . . . 6190 1 381 . 1 1 52 52 VAL CB C 13 30.125 0.01 . . . . . . 40 . . . 6190 1 382 . 1 1 52 52 VAL HB H 1 1.779 0.004 . . . . . . 40 . . . 6190 1 383 . 1 1 52 52 VAL HG11 H 1 0.578 0.006 . . . . . . 40 . . . 6190 1 384 . 1 1 52 52 VAL HG12 H 1 0.578 0.006 . . . . . . 40 . . . 6190 1 385 . 1 1 52 52 VAL HG13 H 1 0.578 0.006 . . . . . . 40 . . . 6190 1 386 . 1 1 52 52 VAL HG21 H 1 0.735 0.008 . . . . . . 40 . . . 6190 1 387 . 1 1 52 52 VAL HG22 H 1 0.735 0.008 . . . . . . 40 . . . 6190 1 388 . 1 1 52 52 VAL HG23 H 1 0.735 0.008 . . . . . . 40 . . . 6190 1 389 . 1 1 52 52 VAL CG1 C 13 19.823 0.01 . . . . . . 40 . . . 6190 1 390 . 1 1 53 53 GLN N N 15 115.993 0.01 . . . . . . 41 . . . 6190 1 391 . 1 1 53 53 GLN H H 1 7.484 0.006 . . . . . . 41 . . . 6190 1 392 . 1 1 53 53 GLN HA H 1 4.663 0.004 . . . . . . 41 . . . 6190 1 393 . 1 1 53 53 GLN CB C 13 31.339 0.01 . . . . . . 41 . . . 6190 1 394 . 1 1 53 53 GLN HB2 H 1 2.134 0.009 . . . . . . 41 . . . 6190 1 395 . 1 1 53 53 GLN HB3 H 1 1.956 0.004 . . . . . . 41 . . . 6190 1 396 . 1 1 53 53 GLN HG2 H 1 2.258 0.010 . . . . . . 41 . . . 6190 1 397 . 1 1 53 53 GLN NE2 N 15 111.195 0.01 . . . . . . 41 . . . 6190 1 398 . 1 1 53 53 GLN HE21 H 1 6.840 0.007 . . . . . . 41 . . . 6190 1 399 . 1 1 53 53 GLN HE22 H 1 7.189 0.006 . . . . . . 41 . . . 6190 1 400 . 1 1 54 54 ARG N N 15 121.453 0.01 . . . . . . 42 . . . 6190 1 401 . 1 1 54 54 ARG H H 1 8.673 0.006 . . . . . . 42 . . . 6190 1 402 . 1 1 54 54 ARG CA C 13 56.888 0.01 . . . . . . 42 . . . 6190 1 403 . 1 1 54 54 ARG HA H 1 4.218 0.005 . . . . . . 42 . . . 6190 1 404 . 1 1 54 54 ARG CB C 13 29.419 0.01 . . . . . . 42 . . . 6190 1 405 . 1 1 54 54 ARG HB2 H 1 1.889 0.009 . . . . . . 42 . . . 6190 1 406 . 1 1 54 54 ARG HB3 H 1 1.827 0.004 . . . . . . 42 . . . 6190 1 407 . 1 1 54 54 ARG CG C 13 25.696 0.01 . . . . . . 42 . . . 6190 1 408 . 1 1 54 54 ARG HG2 H 1 1.707 0.026 . . . . . . 42 . . . 6190 1 409 . 1 1 54 54 ARG HG3 H 1 1.623 0.008 . . . . . . 42 . . . 6190 1 410 . 1 1 54 54 ARG CD C 13 41.737 0.01 . . . . . . 42 . . . 6190 1 411 . 1 1 54 54 ARG HD2 H 1 3.247 0.002 . . . . . . 42 . . . 6190 1 412 . 1 1 54 54 ARG HD3 H 1 3.193 0.01 . . . . . . 42 . . . 6190 1 413 . 1 1 55 55 ASP N N 15 112.518 0.01 . . . . . . 43 . . . 6190 1 414 . 1 1 55 55 ASP H H 1 7.753 0.005 . . . . . . 43 . . . 6190 1 415 . 1 1 55 55 ASP CA C 13 52.101 0.01 . . . . . . 43 . . . 6190 1 416 . 1 1 55 55 ASP HA H 1 5.368 0.005 . . . . . . 43 . . . 6190 1 417 . 1 1 55 55 ASP CB C 13 40.775 0.01 . . . . . . 43 . . . 6190 1 418 . 1 1 55 55 ASP HB2 H 1 2.843 0.006 . . . . . . 43 . . . 6190 1 419 . 1 1 55 55 ASP HB3 H 1 2.367 0.005 . . . . . . 43 . . . 6190 1 420 . 1 1 56 56 ILE N N 15 116.324 0.01 . . . . . . 44 . . . 6190 1 421 . 1 1 56 56 ILE H H 1 8.902 0.002 . . . . . . 44 . . . 6190 1 422 . 1 1 56 56 ILE CA C 13 60.213 0.01 . . . . . . 44 . . . 6190 1 423 . 1 1 56 56 ILE HA H 1 4.509 0.006 . . . . . . 44 . . . 6190 1 424 . 1 1 56 56 ILE CB C 13 41.502 0.01 . . . . . . 44 . . . 6190 1 425 . 1 1 56 56 ILE HB H 1 1.950 0.009 . . . . . . 44 . . . 6190 1 426 . 1 1 56 56 ILE HG21 H 1 1.135 0.004 . . . . . . 44 . . . 6190 1 427 . 1 1 56 56 ILE HG22 H 1 1.135 0.004 . . . . . . 44 . . . 6190 1 428 . 1 1 56 56 ILE HG23 H 1 1.135 0.004 . . . . . . 44 . . . 6190 1 429 . 1 1 56 56 ILE CG2 C 13 15.913 0.01 . . . . . . 44 . . . 6190 1 430 . 1 1 56 56 ILE CG1 C 13 27.332 0.01 . . . . . . 44 . . . 6190 1 431 . 1 1 56 56 ILE HG12 H 1 1.185 0.006 . . . . . . 44 . . . 6190 1 432 . 1 1 56 56 ILE HG13 H 1 1.654 0.006 . . . . . . 44 . . . 6190 1 433 . 1 1 56 56 ILE HD11 H 1 0.875 0.010 . . . . . . 44 . . . 6190 1 434 . 1 1 56 56 ILE HD12 H 1 0.875 0.010 . . . . . . 44 . . . 6190 1 435 . 1 1 56 56 ILE HD13 H 1 0.875 0.010 . . . . . . 44 . . . 6190 1 436 . 1 1 56 56 ILE CD1 C 13 13.652 0.01 . . . . . . 44 . . . 6190 1 437 . 1 1 57 57 ASP N N 15 125.589 0.01 . . . . . . 45 . . . 6190 1 438 . 1 1 57 57 ASP H H 1 8.158 0.004 . . . . . . 45 . . . 6190 1 439 . 1 1 57 57 ASP CA C 13 52.415 0.01 . . . . . . 45 . . . 6190 1 440 . 1 1 57 57 ASP HA H 1 5.481 0.008 . . . . . . 45 . . . 6190 1 441 . 1 1 57 57 ASP CB C 13 41.157 0.01 . . . . . . 45 . . . 6190 1 442 . 1 1 57 57 ASP HB2 H 1 2.466 0.006 . . . . . . 45 . . . 6190 1 443 . 1 1 57 57 ASP HB3 H 1 2.227 0.008 . . . . . . 45 . . . 6190 1 444 . 1 1 58 58 VAL N N 15 119.964 0.01 . . . . . . 46 . . . 6190 1 445 . 1 1 58 58 VAL H H 1 9.039 0.006 . . . . . . 46 . . . 6190 1 446 . 1 1 58 58 VAL HA H 1 4.676 0.006 . . . . . . 46 . . . 6190 1 447 . 1 1 58 58 VAL CB C 13 34.343 0.01 . . . . . . 46 . . . 6190 1 448 . 1 1 58 58 VAL HB H 1 2.048 0.004 . . . . . . 46 . . . 6190 1 449 . 1 1 58 58 VAL HG11 H 1 0.934 0.006 . . . . . . 46 . . . 6190 1 450 . 1 1 58 58 VAL HG12 H 1 0.934 0.006 . . . . . . 46 . . . 6190 1 451 . 1 1 58 58 VAL HG13 H 1 0.934 0.006 . . . . . . 46 . . . 6190 1 452 . 1 1 58 58 VAL HG21 H 1 0.985 0.005 . . . . . . 46 . . . 6190 1 453 . 1 1 58 58 VAL HG22 H 1 0.985 0.005 . . . . . . 46 . . . 6190 1 454 . 1 1 58 58 VAL HG23 H 1 0.985 0.005 . . . . . . 46 . . . 6190 1 455 . 1 1 58 58 VAL CG1 C 13 21.052 0.01 . . . . . . 46 . . . 6190 1 456 . 1 1 58 58 VAL CG2 C 13 20.244 0.01 . . . . . . 46 . . . 6190 1 457 . 1 1 59 59 ARG N N 15 123.438 0.01 . . . . . . 47 . . . 6190 1 458 . 1 1 59 59 ARG H H 1 8.597 0.005 . . . . . . 47 . . . 6190 1 459 . 1 1 59 59 ARG CA C 13 55.393 0.01 . . . . . . 47 . . . 6190 1 460 . 1 1 59 59 ARG HA H 1 4.460 0.004 . . . . . . 47 . . . 6190 1 461 . 1 1 59 59 ARG CB C 13 29.476 0.01 . . . . . . 47 . . . 6190 1 462 . 1 1 59 59 ARG HB2 H 1 2.212 0.004 . . . . . . 47 . . . 6190 1 463 . 1 1 59 59 ARG CG C 13 26.838 0.01 . . . . . . 47 . . . 6190 1 464 . 1 1 59 59 ARG HG2 H 1 1.681 0.005 . . . . . . 47 . . . 6190 1 465 . 1 1 59 59 ARG HG3 H 1 1.497 0.006 . . . . . . 47 . . . 6190 1 466 . 1 1 59 59 ARG HD2 H 1 3.162 0.005 . . . . . . 47 . . . 6190 1 467 . 1 1 59 59 ARG HD3 H 1 3.112 0.005 . . . . . . 47 . . . 6190 1 468 . 1 1 60 60 ILE N N 15 126.582 0.01 . . . . . . 48 . . . 6190 1 469 . 1 1 60 60 ILE H H 1 8.661 0.002 . . . . . . 48 . . . 6190 1 470 . 1 1 60 60 ILE CA C 13 64.876 0.01 . . . . . . 48 . . . 6190 1 471 . 1 1 60 60 ILE HA H 1 3.375 0.007 . . . . . . 48 . . . 6190 1 472 . 1 1 60 60 ILE CB C 13 36.577 0.01 . . . . . . 48 . . . 6190 1 473 . 1 1 60 60 ILE HB H 1 1.612 0.007 . . . . . . 48 . . . 6190 1 474 . 1 1 60 60 ILE HG21 H 1 0.732 0.008 . . . . . . 48 . . . 6190 1 475 . 1 1 60 60 ILE HG22 H 1 0.732 0.008 . . . . . . 48 . . . 6190 1 476 . 1 1 60 60 ILE HG23 H 1 0.732 0.008 . . . . . . 48 . . . 6190 1 477 . 1 1 60 60 ILE CG1 C 13 28.402 0.01 . . . . . . 48 . . . 6190 1 478 . 1 1 60 60 ILE HG12 H 1 1.608 0.010 . . . . . . 48 . . . 6190 1 479 . 1 1 60 60 ILE HG13 H 1 0.618 0.008 . . . . . . 48 . . . 6190 1 480 . 1 1 60 60 ILE HD11 H 1 0.608 0.010 . . . . . . 48 . . . 6190 1 481 . 1 1 60 60 ILE HD12 H 1 0.608 0.010 . . . . . . 48 . . . 6190 1 482 . 1 1 60 60 ILE HD13 H 1 0.608 0.010 . . . . . . 48 . . . 6190 1 483 . 1 1 60 60 ILE CD1 C 13 12.289 0.01 . . . . . . 48 . . . 6190 1 484 . 1 1 61 61 GLY N N 15 118.309 0.01 . . . . . . 49 . . . 6190 1 485 . 1 1 61 61 GLY H H 1 8.299 0.005 . . . . . . 49 . . . 6190 1 486 . 1 1 61 61 GLY CA C 13 42.798 0.01 . . . . . . 49 . . . 6190 1 487 . 1 1 61 61 GLY HA2 H 1 3.780 0.004 . . . . . . 49 . . . 6190 1 488 . 1 1 61 61 GLY HA3 H 1 4.898 0.011 . . . . . . 49 . . . 6190 1 489 . 1 1 62 62 GLU N N 15 122.776 0.01 . . . . . . 50 . . . 6190 1 490 . 1 1 62 62 GLU H H 1 7.838 0.006 . . . . . . 50 . . . 6190 1 491 . 1 1 62 62 GLU CA C 13 55.056 0.01 . . . . . . 50 . . . 6190 1 492 . 1 1 62 62 GLU HA H 1 4.056 0.007 . . . . . . 50 . . . 6190 1 493 . 1 1 62 62 GLU HB2 H 1 1.455 0.004 . . . . . . 50 . . . 6190 1 494 . 1 1 62 62 GLU HB3 H 1 1.811 0.007 . . . . . . 50 . . . 6190 1 495 . 1 1 62 62 GLU HG2 H 1 2.183 0.012 . . . . . . 50 . . . 6190 1 496 . 1 1 63 63 THR N N 15 123.604 0.01 . . . . . . 51 . . . 6190 1 497 . 1 1 63 63 THR H H 1 8.943 0.010 . . . . . . 51 . . . 6190 1 498 . 1 1 63 63 THR HA H 1 4.889 0.005 . . . . . . 51 . . . 6190 1 499 . 1 1 63 63 THR HB H 1 3.786 0.006 . . . . . . 51 . . . 6190 1 500 . 1 1 63 63 THR HG21 H 1 0.922 0.008 . . . . . . 51 . . . 6190 1 501 . 1 1 63 63 THR HG22 H 1 0.922 0.008 . . . . . . 51 . . . 6190 1 502 . 1 1 63 63 THR HG23 H 1 0.922 0.008 . . . . . . 51 . . . 6190 1 503 . 1 1 64 64 VAL N N 15 122.611 0.01 . . . . . . 52 . . . 6190 1 504 . 1 1 64 64 VAL H H 1 8.608 0.004 . . . . . . 52 . . . 6190 1 505 . 1 1 64 64 VAL CA C 13 58.382 0.01 . . . . . . 52 . . . 6190 1 506 . 1 1 64 64 VAL HA H 1 4.356 0.006 . . . . . . 52 . . . 6190 1 507 . 1 1 64 64 VAL CB C 13 34.833 0.01 . . . . . . 52 . . . 6190 1 508 . 1 1 64 64 VAL HB H 1 1.603 0.006 . . . . . . 52 . . . 6190 1 509 . 1 1 64 64 VAL HG11 H 1 0.612 0.007 . . . . . . 52 . . . 6190 1 510 . 1 1 64 64 VAL HG12 H 1 0.612 0.007 . . . . . . 52 . . . 6190 1 511 . 1 1 64 64 VAL HG13 H 1 0.612 0.007 . . . . . . 52 . . . 6190 1 512 . 1 1 64 64 VAL HG21 H 1 0.239 0.009 . . . . . . 52 . . . 6190 1 513 . 1 1 64 64 VAL HG22 H 1 0.239 0.009 . . . . . . 52 . . . 6190 1 514 . 1 1 64 64 VAL HG23 H 1 0.239 0.009 . . . . . . 52 . . . 6190 1 515 . 1 1 64 64 VAL CG1 C 13 20.874 0.01 . . . . . . 52 . . . 6190 1 516 . 1 1 64 64 VAL CG2 C 13 18.142 0.01 . . . . . . 52 . . . 6190 1 517 . 1 1 65 65 GLN N N 15 120.294 0.01 . . . . . . 53 . . . 6190 1 518 . 1 1 65 65 GLN H H 1 8.055 0.009 . . . . . . 53 . . . 6190 1 519 . 1 1 65 65 GLN CA C 13 52.726 0.01 . . . . . . 53 . . . 6190 1 520 . 1 1 65 65 GLN HA H 1 5.479 0.012 . . . . . . 53 . . . 6190 1 521 . 1 1 65 65 GLN CB C 13 31.407 0.01 . . . . . . 53 . . . 6190 1 522 . 1 1 65 65 GLN HB2 H 1 1.831 0.009 . . . . . . 53 . . . 6190 1 523 . 1 1 65 65 GLN CG C 13 34.163 0.01 . . . . . . 53 . . . 6190 1 524 . 1 1 65 65 GLN HG2 H 1 1.966 0.009 . . . . . . 53 . . . 6190 1 525 . 1 1 65 65 GLN NE2 N 15 110.202 0.01 . . . . . . 53 . . . 6190 1 526 . 1 1 65 65 GLN HE21 H 1 6.931 0.019 . . . . . . 53 . . . 6190 1 527 . 1 1 65 65 GLN HE22 H 1 6.692 0.011 . . . . . . 53 . . . 6190 1 528 . 1 1 66 66 ILE N N 15 121.949 0.01 . . . . . . 54 . . . 6190 1 529 . 1 1 66 66 ILE H H 1 9.190 0.002 . . . . . . 54 . . . 6190 1 530 . 1 1 66 66 ILE CA C 13 56.619 0.01 . . . . . . 54 . . . 6190 1 531 . 1 1 66 66 ILE HA H 1 4.454 0.009 . . . . . . 54 . . . 6190 1 532 . 1 1 66 66 ILE CB C 13 40.598 0.01 . . . . . . 54 . . . 6190 1 533 . 1 1 66 66 ILE HB H 1 1.554 0.007 . . . . . . 54 . . . 6190 1 534 . 1 1 66 66 ILE HG21 H 1 0.718 0.008 . . . . . . 54 . . . 6190 1 535 . 1 1 66 66 ILE HG22 H 1 0.718 0.008 . . . . . . 54 . . . 6190 1 536 . 1 1 66 66 ILE HG23 H 1 0.718 0.008 . . . . . . 54 . . . 6190 1 537 . 1 1 66 66 ILE CG2 C 13 20.438 0.01 . . . . . . 54 . . . 6190 1 538 . 1 1 66 66 ILE CG1 C 13 25.343 0.01 . . . . . . 54 . . . 6190 1 539 . 1 1 66 66 ILE HG12 H 1 1.411 0.010 . . . . . . 54 . . . 6190 1 540 . 1 1 66 66 ILE HG13 H 1 0.952 0.009 . . . . . . 54 . . . 6190 1 541 . 1 1 66 66 ILE HD11 H 1 0.371 0.008 . . . . . . 54 . . . 6190 1 542 . 1 1 66 66 ILE HD12 H 1 0.371 0.008 . . . . . . 54 . . . 6190 1 543 . 1 1 66 66 ILE HD13 H 1 0.371 0.008 . . . . . . 54 . . . 6190 1 544 . 1 1 66 66 ILE CD1 C 13 15.412 0.01 . . . . . . 54 . . . 6190 1 545 . 1 1 67 67 MET N N 15 117.316 0.01 . . . . . . 55 . . . 6190 1 546 . 1 1 67 67 MET H H 1 8.253 0.003 . . . . . . 55 . . . 6190 1 547 . 1 1 67 67 MET CA C 13 52.821 0.01 . . . . . . 55 . . . 6190 1 548 . 1 1 67 67 MET HA H 1 5.373 0.009 . . . . . . 55 . . . 6190 1 549 . 1 1 67 67 MET CB C 13 34.872 0.01 . . . . . . 55 . . . 6190 1 550 . 1 1 67 67 MET HB2 H 1 1.720 0.004 . . . . . . 55 . . . 6190 1 551 . 1 1 67 67 MET HB3 H 1 1.661 0.006 . . . . . . 55 . . . 6190 1 552 . 1 1 67 67 MET CG C 13 31.427 0.01 . . . . . . 55 . . . 6190 1 553 . 1 1 67 67 MET HG2 H 1 2.397 0.004 . . . . . . 55 . . . 6190 1 554 . 1 1 68 68 TYR N N 15 124.100 0.01 . . . . . . 56 . . . 6190 1 555 . 1 1 68 68 TYR H H 1 8.689 0.007 . . . . . . 56 . . . 6190 1 556 . 1 1 68 68 TYR HA H 1 4.701 0.004 . . . . . . 56 . . . 6190 1 557 . 1 1 68 68 TYR CB C 13 41.157 0.01 . . . . . . 56 . . . 6190 1 558 . 1 1 68 68 TYR HB2 H 1 2.665 0.010 . . . . . . 56 . . . 6190 1 559 . 1 1 68 68 TYR HB3 H 1 2.460 0.009 . . . . . . 56 . . . 6190 1 560 . 1 1 68 68 TYR HE1 H 1 6.522 0.004 . . . . . . 56 . . . 6190 1 561 . 1 1 68 68 TYR HD1 H 1 6.391 0.005 . . . . . . 56 . . . 6190 1 562 . 1 1 69 69 ARG N N 15 120.129 0.01 . . . . . . 57 . . . 6190 1 563 . 1 1 69 69 ARG H H 1 9.073 0.004 . . . . . . 57 . . . 6190 1 564 . 1 1 69 69 ARG CA C 13 53.828 0.01 . . . . . . 57 . . . 6190 1 565 . 1 1 69 69 ARG HA H 1 5.130 0.004 . . . . . . 57 . . . 6190 1 566 . 1 1 69 69 ARG CB C 13 32.700 0.01 . . . . . . 57 . . . 6190 1 567 . 1 1 69 69 ARG HB2 H 1 1.267 0.010 . . . . . . 57 . . . 6190 1 568 . 1 1 69 69 ARG HB3 H 1 1.457 0.006 . . . . . . 57 . . . 6190 1 569 . 1 1 69 69 ARG CG C 13 26.360 0.01 . . . . . . 57 . . . 6190 1 570 . 1 1 69 69 ARG HG2 H 1 1.181 0.009 . . . . . . 57 . . . 6190 1 571 . 1 1 69 69 ARG HD2 H 1 2.901 0.008 . . . . . . 57 . . . 6190 1 572 . 1 1 69 69 ARG NE N 15 124.431 0.01 . . . . . . 57 . . . 6190 1 573 . 1 1 69 69 ARG HE H 1 7.194 0.002 . . . . . . 57 . . . 6190 1 574 . 1 1 70 70 ALA N N 15 126.251 0.01 . . . . . . 58 . . . 6190 1 575 . 1 1 70 70 ALA H H 1 8.461 0.004 . . . . . . 58 . . . 6190 1 576 . 1 1 70 70 ALA CA C 13 48.521 0.01 . . . . . . 58 . . . 6190 1 577 . 1 1 70 70 ALA HA H 1 5.551 0.007 . . . . . . 58 . . . 6190 1 578 . 1 1 70 70 ALA HB1 H 1 0.763 0.007 . . . . . . 58 . . . 6190 1 579 . 1 1 70 70 ALA HB2 H 1 0.763 0.007 . . . . . . 58 . . . 6190 1 580 . 1 1 70 70 ALA HB3 H 1 0.763 0.007 . . . . . . 58 . . . 6190 1 581 . 1 1 70 70 ALA CB C 13 22.794 0.01 . . . . . . 58 . . . 6190 1 582 . 1 1 71 71 LYS N N 15 119.467 0.01 . . . . . . 59 . . . 6190 1 583 . 1 1 71 71 LYS H H 1 8.397 0.006 . . . . . . 59 . . . 6190 1 584 . 1 1 71 71 LYS CA C 13 52.988 0.01 . . . . . . 59 . . . 6190 1 585 . 1 1 71 71 LYS HA H 1 4.963 0.007 . . . . . . 59 . . . 6190 1 586 . 1 1 71 71 LYS CB C 13 36.431 0.01 . . . . . . 59 . . . 6190 1 587 . 1 1 71 71 LYS HB2 H 1 1.434 0.008 . . . . . . 59 . . . 6190 1 588 . 1 1 71 71 LYS CG C 13 24.025 0.01 . . . . . . 59 . . . 6190 1 589 . 1 1 71 71 LYS HG2 H 1 0.838 0.005 . . . . . . 59 . . . 6190 1 590 . 1 1 71 71 LYS HG3 H 1 0.636 0.009 . . . . . . 59 . . . 6190 1 591 . 1 1 71 71 LYS CD C 13 28.491 0.01 . . . . . . 59 . . . 6190 1 592 . 1 1 71 71 LYS HD2 H 1 1.349 0.007 . . . . . . 59 . . . 6190 1 593 . 1 1 71 71 LYS CE C 13 44.856 0.01 . . . . . . 59 . . . 6190 1 594 . 1 1 71 71 LYS HE2 H 1 2.634 0.005 . . . . . . 59 . . . 6190 1 595 . 1 1 72 72 ASN N N 15 122.776 0.01 . . . . . . 60 . . . 6190 1 596 . 1 1 72 72 ASN H H 1 7.502 0.006 . . . . . . 60 . . . 6190 1 597 . 1 1 72 72 ASN CA C 13 50.892 0.01 . . . . . . 60 . . . 6190 1 598 . 1 1 72 72 ASN HA H 1 4.580 0.011 . . . . . . 60 . . . 6190 1 599 . 1 1 72 72 ASN CB C 13 37.412 0.01 . . . . . . 60 . . . 6190 1 600 . 1 1 72 72 ASN HB2 H 1 2.846 0.007 . . . . . . 60 . . . 6190 1 601 . 1 1 72 72 ASN HB3 H 1 2.165 0.007 . . . . . . 60 . . . 6190 1 602 . 1 1 72 72 ASN ND2 N 15 110.698 0.01 . . . . . . 60 . . . 6190 1 603 . 1 1 72 72 ASN HD21 H 1 7.110 0.003 . . . . . . 60 . . . 6190 1 604 . 1 1 72 72 ASN HD22 H 1 6.264 0.007 . . . . . . 60 . . . 6190 1 605 . 1 1 73 73 LEU N N 15 126.747 0.01 . . . . . . 61 . . . 6190 1 606 . 1 1 73 73 LEU H H 1 8.936 0.003 . . . . . . 61 . . . 6190 1 607 . 1 1 73 73 LEU CA C 13 53.528 0.01 . . . . . . 61 . . . 6190 1 608 . 1 1 73 73 LEU HA H 1 4.241 0.007 . . . . . . 61 . . . 6190 1 609 . 1 1 73 73 LEU CB C 13 41.348 0.01 . . . . . . 61 . . . 6190 1 610 . 1 1 73 73 LEU HB2 H 1 1.697 0.009 . . . . . . 61 . . . 6190 1 611 . 1 1 73 73 LEU HB3 H 1 1.498 0.005 . . . . . . 61 . . . 6190 1 612 . 1 1 73 73 LEU HD11 H 1 0.726 0.008 . . . . . . 61 . . . 6190 1 613 . 1 1 73 73 LEU HD12 H 1 0.726 0.008 . . . . . . 61 . . . 6190 1 614 . 1 1 73 73 LEU HD13 H 1 0.726 0.008 . . . . . . 61 . . . 6190 1 615 . 1 1 73 73 LEU HD21 H 1 0.628 0.005 . . . . . . 61 . . . 6190 1 616 . 1 1 73 73 LEU HD22 H 1 0.628 0.005 . . . . . . 61 . . . 6190 1 617 . 1 1 73 73 LEU HD23 H 1 0.628 0.005 . . . . . . 61 . . . 6190 1 618 . 1 1 74 74 ALA N N 15 121.618 0.01 . . . . . . 62 . . . 6190 1 619 . 1 1 74 74 ALA H H 1 7.978 0.003 . . . . . . 62 . . . 6190 1 620 . 1 1 74 74 ALA CA C 13 50.483 0.01 . . . . . . 62 . . . 6190 1 621 . 1 1 74 74 ALA HA H 1 4.502 0.004 . . . . . . 62 . . . 6190 1 622 . 1 1 74 74 ALA HB1 H 1 1.757 0.007 . . . . . . 62 . . . 6190 1 623 . 1 1 74 74 ALA HB2 H 1 1.757 0.007 . . . . . . 62 . . . 6190 1 624 . 1 1 74 74 ALA HB3 H 1 1.757 0.007 . . . . . . 62 . . . 6190 1 625 . 1 1 74 74 ALA CB C 13 19.970 0.01 . . . . . . 62 . . . 6190 1 626 . 1 1 75 75 SER N N 15 110.864 0.01 . . . . . . 63 . . . 6190 1 627 . 1 1 75 75 SER H H 1 8.383 0.006 . . . . . . 63 . . . 6190 1 628 . 1 1 75 75 SER CA C 13 57.173 0.01 . . . . . . 63 . . . 6190 1 629 . 1 1 75 75 SER HA H 1 4.373 0.006 . . . . . . 63 . . . 6190 1 630 . 1 1 75 75 SER CB C 13 62.340 0.01 . . . . . . 63 . . . 6190 1 631 . 1 1 75 75 SER HB2 H 1 3.977 0.009 . . . . . . 63 . . . 6190 1 632 . 1 1 75 75 SER HB3 H 1 3.841 0.005 . . . . . . 63 . . . 6190 1 633 . 1 1 76 76 THR N N 15 111.525 0.01 . . . . . . 64 . . . 6190 1 634 . 1 1 76 76 THR H H 1 7.220 0.004 . . . . . . 64 . . . 6190 1 635 . 1 1 76 76 THR CA C 13 57.164 0.01 . . . . . . 64 . . . 6190 1 636 . 1 1 76 76 THR HA H 1 4.758 0.009 . . . . . . 64 . . . 6190 1 637 . 1 1 76 76 THR CB C 13 68.325 0.01 . . . . . . 64 . . . 6190 1 638 . 1 1 76 76 THR HB H 1 4.271 0.001 . . . . . . 64 . . . 6190 1 639 . 1 1 76 76 THR HG21 H 1 1.073 0.008 . . . . . . 64 . . . 6190 1 640 . 1 1 76 76 THR HG22 H 1 1.073 0.008 . . . . . . 64 . . . 6190 1 641 . 1 1 76 76 THR HG23 H 1 1.073 0.008 . . . . . . 64 . . . 6190 1 642 . 1 1 77 77 PRO CD C 13 48.865 0.01 . . . . . . 65 . . . 6190 1 643 . 1 1 77 77 PRO CA C 13 61.831 0.01 . . . . . . 65 . . . 6190 1 644 . 1 1 77 77 PRO HA H 1 4.764 0.01 . . . . . . 65 . . . 6190 1 645 . 1 1 77 77 PRO CB C 13 30.009 0.01 . . . . . . 65 . . . 6190 1 646 . 1 1 77 77 PRO HB2 H 1 2.059 0.01 . . . . . . 65 . . . 6190 1 647 . 1 1 77 77 PRO HB3 H 1 1.699 0.01 . . . . . . 65 . . . 6190 1 648 . 1 1 77 77 PRO HD2 H 1 3.679 0.004 . . . . . . 65 . . . 6190 1 649 . 1 1 78 78 THR N N 15 112.187 0.01 . . . . . . 66 . . . 6190 1 650 . 1 1 78 78 THR H H 1 8.298 0.004 . . . . . . 66 . . . 6190 1 651 . 1 1 78 78 THR HA H 1 4.703 0.008 . . . . . . 66 . . . 6190 1 652 . 1 1 78 78 THR CB C 13 72.652 0.01 . . . . . . 66 . . . 6190 1 653 . 1 1 78 78 THR HB H 1 4.094 0.008 . . . . . . 66 . . . 6190 1 654 . 1 1 78 78 THR HG21 H 1 1.184 0.009 . . . . . . 66 . . . 6190 1 655 . 1 1 78 78 THR HG22 H 1 1.184 0.009 . . . . . . 66 . . . 6190 1 656 . 1 1 78 78 THR HG23 H 1 1.184 0.009 . . . . . . 66 . . . 6190 1 657 . 1 1 78 78 THR HG1 H 1 3.248 0.01 . . . . . . 66 . . . 6190 1 658 . 1 1 78 78 THR CG2 C 13 22.441 0.01 . . . . . . 66 . . . 6190 1 659 . 1 1 79 79 THR N N 15 117.482 0.01 . . . . . . 67 . . . 6190 1 660 . 1 1 79 79 THR H H 1 8.109 0.001 . . . . . . 67 . . . 6190 1 661 . 1 1 79 79 THR CA C 13 61.110 0.01 . . . . . . 67 . . . 6190 1 662 . 1 1 79 79 THR HA H 1 5.479 0.005 . . . . . . 67 . . . 6190 1 663 . 1 1 79 79 THR CB C 13 70.005 0.01 . . . . . . 67 . . . 6190 1 664 . 1 1 79 79 THR HB H 1 3.714 0.009 . . . . . . 67 . . . 6190 1 665 . 1 1 79 79 THR HG21 H 1 0.958 0.006 . . . . . . 67 . . . 6190 1 666 . 1 1 79 79 THR HG22 H 1 0.958 0.006 . . . . . . 67 . . . 6190 1 667 . 1 1 79 79 THR HG23 H 1 0.958 0.006 . . . . . . 67 . . . 6190 1 668 . 1 1 79 79 THR CG2 C 13 21.003 0.01 . . . . . . 67 . . . 6190 1 669 . 1 1 80 80 GLY N N 15 113.345 0.01 . . . . . . 68 . . . 6190 1 670 . 1 1 80 80 GLY H H 1 9.074 0.005 . . . . . . 68 . . . 6190 1 671 . 1 1 80 80 GLY CA C 13 41.180 0.01 . . . . . . 68 . . . 6190 1 672 . 1 1 80 80 GLY HA2 H 1 5.027 0.010 . . . . . . 68 . . . 6190 1 673 . 1 1 80 80 GLY HA3 H 1 2.818 0.011 . . . . . . 68 . . . 6190 1 674 . 1 1 81 81 GLN N N 15 118.640 0.01 . . . . . . 69 . . . 6190 1 675 . 1 1 81 81 GLN H H 1 9.048 0.006 . . . . . . 69 . . . 6190 1 676 . 1 1 81 81 GLN HA H 1 4.693 0.006 . . . . . . 69 . . . 6190 1 677 . 1 1 81 81 GLN HB2 H 1 1.808 0.01 . . . . . . 69 . . . 6190 1 678 . 1 1 81 81 GLN HB3 H 1 1.730 0.01 . . . . . . 69 . . . 6190 1 679 . 1 1 81 81 GLN HG2 H 1 2.122 0.01 . . . . . . 69 . . . 6190 1 680 . 1 1 81 81 GLN HG3 H 1 1.976 0.01 . . . . . . 69 . . . 6190 1 681 . 1 1 81 81 GLN NE2 N 15 110.698 0.01 . . . . . . 69 . . . 6190 1 682 . 1 1 81 81 GLN HE21 H 1 7.388 0.01 . . . . . . 69 . . . 6190 1 683 . 1 1 81 81 GLN HE22 H 1 6.579 0.01 . . . . . . 69 . . . 6190 1 684 . 1 1 82 82 ALA H H 1 8.568 0.004 . . . . . . 70 . . . 6190 1 685 . 1 1 82 82 ALA CA C 13 49.314 0.01 . . . . . . 70 . . . 6190 1 686 . 1 1 82 82 ALA HA H 1 5.421 0.005 . . . . . . 70 . . . 6190 1 687 . 1 1 82 82 ALA HB1 H 1 0.166 0.006 . . . . . . 70 . . . 6190 1 688 . 1 1 82 82 ALA HB2 H 1 0.166 0.006 . . . . . . 70 . . . 6190 1 689 . 1 1 82 82 ALA HB3 H 1 0.166 0.006 . . . . . . 70 . . . 6190 1 690 . 1 1 82 82 ALA CB C 13 18.493 0.01 . . . . . . 70 . . . 6190 1 691 . 1 1 83 83 THR N N 15 111.856 0.01 . . . . . . 71 . . . 6190 1 692 . 1 1 83 83 THR H H 1 8.603 0.007 . . . . . . 71 . . . 6190 1 693 . 1 1 83 83 THR CA C 13 59.017 0.01 . . . . . . 71 . . . 6190 1 694 . 1 1 83 83 THR HA H 1 4.353 0.008 . . . . . . 71 . . . 6190 1 695 . 1 1 83 83 THR CB C 13 69.518 0.01 . . . . . . 71 . . . 6190 1 696 . 1 1 83 83 THR HB H 1 4.288 0.004 . . . . . . 71 . . . 6190 1 697 . 1 1 83 83 THR HG21 H 1 1.059 0.003 . . . . . . 71 . . . 6190 1 698 . 1 1 83 83 THR HG22 H 1 1.059 0.003 . . . . . . 71 . . . 6190 1 699 . 1 1 83 83 THR HG23 H 1 1.059 0.003 . . . . . . 71 . . . 6190 1 700 . 1 1 84 84 PHE N N 15 116.820 0.01 . . . . . . 72 . . . 6190 1 701 . 1 1 84 84 PHE H H 1 7.771 0.009 . . . . . . 72 . . . 6190 1 702 . 1 1 84 84 PHE CA C 13 54.082 0.01 . . . . . . 72 . . . 6190 1 703 . 1 1 84 84 PHE HA H 1 5.476 0.007 . . . . . . 72 . . . 6190 1 704 . 1 1 84 84 PHE CB C 13 42.236 0.01 . . . . . . 72 . . . 6190 1 705 . 1 1 84 84 PHE HB2 H 1 2.109 0.044 . . . . . . 72 . . . 6190 1 706 . 1 1 84 84 PHE HB3 H 1 2.017 0.048 . . . . . . 72 . . . 6190 1 707 . 1 1 84 84 PHE HZ H 1 6.453 0.001 . . . . . . 72 . . . 6190 1 708 . 1 1 84 84 PHE HD1 H 1 6.623 0.006 . . . . . . 72 . . . 6190 1 709 . 1 1 84 84 PHE HE1 H 1 7.196 0.008 . . . . . . 72 . . . 6190 1 710 . 1 1 85 85 ASN N N 15 117.482 0.01 . . . . . . 73 . . . 6190 1 711 . 1 1 85 85 ASN H H 1 8.559 0.004 . . . . . . 73 . . . 6190 1 712 . 1 1 85 85 ASN CA C 13 51.909 0.01 . . . . . . 73 . . . 6190 1 713 . 1 1 85 85 ASN HA H 1 4.183 0.009 . . . . . . 73 . . . 6190 1 714 . 1 1 85 85 ASN CB C 13 41.573 0.01 . . . . . . 73 . . . 6190 1 715 . 1 1 85 85 ASN HB2 H 1 2.327 0.009 . . . . . . 73 . . . 6190 1 716 . 1 1 85 85 ASN HB3 H 1 2.271 0.008 . . . . . . 73 . . . 6190 1 717 . 1 1 85 85 ASN ND2 N 15 112.684 0.01 . . . . . . 73 . . . 6190 1 718 . 1 1 85 85 ASN HD21 H 1 7.195 0.005 . . . . . . 73 . . . 6190 1 719 . 1 1 85 85 ASN HD22 H 1 6.452 0.002 . . . . . . 73 . . . 6190 1 720 . 1 1 86 86 VAL N N 15 122.776 0.01 . . . . . . 74 . . . 6190 1 721 . 1 1 86 86 VAL H H 1 7.904 0.002 . . . . . . 74 . . . 6190 1 722 . 1 1 86 86 VAL HA H 1 4.626 0.005 . . . . . . 74 . . . 6190 1 723 . 1 1 86 86 VAL CB C 13 32.971 0.01 . . . . . . 74 . . . 6190 1 724 . 1 1 86 86 VAL HB H 1 1.479 0.005 . . . . . . 74 . . . 6190 1 725 . 1 1 86 86 VAL HG11 H 1 0.324 0.013 . . . . . . 74 . . . 6190 1 726 . 1 1 86 86 VAL HG12 H 1 0.324 0.013 . . . . . . 74 . . . 6190 1 727 . 1 1 86 86 VAL HG13 H 1 0.324 0.013 . . . . . . 74 . . . 6190 1 728 . 1 1 86 86 VAL HG21 H 1 0.371 0.008 . . . . . . 74 . . . 6190 1 729 . 1 1 86 86 VAL HG22 H 1 0.371 0.008 . . . . . . 74 . . . 6190 1 730 . 1 1 86 86 VAL HG23 H 1 0.371 0.008 . . . . . . 74 . . . 6190 1 731 . 1 1 86 86 VAL CG1 C 13 20.429 0.01 . . . . . . 74 . . . 6190 1 732 . 1 1 86 86 VAL CG2 C 13 19.440 0.01 . . . . . . 74 . . . 6190 1 733 . 1 1 87 87 THR N N 15 119.136 0.01 . . . . . . 75 . . . 6190 1 734 . 1 1 87 87 THR H H 1 8.374 0.002 . . . . . . 75 . . . 6190 1 735 . 1 1 87 87 THR CA C 13 57.138 0.01 . . . . . . 75 . . . 6190 1 736 . 1 1 87 87 THR HA H 1 4.339 0.006 . . . . . . 75 . . . 6190 1 737 . 1 1 87 87 THR CB C 13 69.609 0.01 . . . . . . 75 . . . 6190 1 738 . 1 1 87 87 THR HB H 1 3.857 0.009 . . . . . . 75 . . . 6190 1 739 . 1 1 87 87 THR HG21 H 1 1.022 0.006 . . . . . . 75 . . . 6190 1 740 . 1 1 87 87 THR HG22 H 1 1.022 0.006 . . . . . . 75 . . . 6190 1 741 . 1 1 87 87 THR HG23 H 1 1.022 0.006 . . . . . . 75 . . . 6190 1 742 . 1 1 87 87 THR CG2 C 13 20.677 0.162 . . . . . . 75 . . . 6190 1 743 . 1 1 88 88 PRO CD C 13 49.713 0.01 . . . . . . 76 . . . 6190 1 744 . 1 1 88 88 PRO HA H 1 4.663 0.011 . . . . . . 76 . . . 6190 1 745 . 1 1 88 88 PRO CB C 13 33.403 0.01 . . . . . . 76 . . . 6190 1 746 . 1 1 88 88 PRO HB2 H 1 1.987 0.004 . . . . . . 76 . . . 6190 1 747 . 1 1 88 88 PRO HB3 H 1 2.526 0.005 . . . . . . 76 . . . 6190 1 748 . 1 1 88 88 PRO CG C 13 25.156 0.01 . . . . . . 76 . . . 6190 1 749 . 1 1 88 88 PRO HG2 H 1 1.985 0.006 . . . . . . 76 . . . 6190 1 750 . 1 1 88 88 PRO HG3 H 1 1.818 0.004 . . . . . . 76 . . . 6190 1 751 . 1 1 88 88 PRO HD2 H 1 3.784 0.012 . . . . . . 76 . . . 6190 1 752 . 1 1 88 88 PRO HD3 H 1 3.429 0.004 . . . . . . 76 . . . 6190 1 753 . 1 1 89 89 MET N N 15 124.762 0.01 . . . . . . 77 . . . 6190 1 754 . 1 1 89 89 MET H H 1 9.007 0.002 . . . . . . 77 . . . 6190 1 755 . 1 1 89 89 MET CA C 13 58.187 0.01 . . . . . . 77 . . . 6190 1 756 . 1 1 89 89 MET HA H 1 4.120 0.012 . . . . . . 77 . . . 6190 1 757 . 1 1 89 89 MET CB C 13 31.226 0.01 . . . . . . 77 . . . 6190 1 758 . 1 1 89 89 MET HB2 H 1 2.101 0.004 . . . . . . 77 . . . 6190 1 759 . 1 1 89 89 MET HB3 H 1 2.018 0.010 . . . . . . 77 . . . 6190 1 760 . 1 1 89 89 MET CG C 13 30.622 0.01 . . . . . . 77 . . . 6190 1 761 . 1 1 89 89 MET HG2 H 1 2.578 0.016 . . . . . . 77 . . . 6190 1 762 . 1 1 90 90 ALA N N 15 120.625 0.01 . . . . . . 78 . . . 6190 1 763 . 1 1 90 90 ALA H H 1 8.872 0.002 . . . . . . 78 . . . 6190 1 764 . 1 1 90 90 ALA CA C 13 53.374 0.01 . . . . . . 78 . . . 6190 1 765 . 1 1 90 90 ALA HA H 1 4.054 0.008 . . . . . . 78 . . . 6190 1 766 . 1 1 90 90 ALA HB1 H 1 1.268 0.007 . . . . . . 78 . . . 6190 1 767 . 1 1 90 90 ALA HB2 H 1 1.268 0.007 . . . . . . 78 . . . 6190 1 768 . 1 1 90 90 ALA HB3 H 1 1.268 0.007 . . . . . . 78 . . . 6190 1 769 . 1 1 90 90 ALA CB C 13 17.711 0.01 . . . . . . 78 . . . 6190 1 770 . 1 1 91 91 ALA N N 15 114.354 0.024 . . . . . . 79 . . . 6190 1 771 . 1 1 91 91 ALA H H 1 7.647 0.004 . . . . . . 79 . . . 6190 1 772 . 1 1 91 91 ALA CA C 13 51.655 0.01 . . . . . . 79 . . . 6190 1 773 . 1 1 91 91 ALA HA H 1 4.313 0.007 . . . . . . 79 . . . 6190 1 774 . 1 1 91 91 ALA HB1 H 1 1.324 0.007 . . . . . . 79 . . . 6190 1 775 . 1 1 91 91 ALA HB2 H 1 1.324 0.007 . . . . . . 79 . . . 6190 1 776 . 1 1 91 91 ALA HB3 H 1 1.324 0.007 . . . . . . 79 . . . 6190 1 777 . 1 1 91 91 ALA CB C 13 18.839 0.01 . . . . . . 79 . . . 6190 1 778 . 1 1 92 92 GLY N N 15 105.073 0.01 . . . . . . 80 . . . 6190 1 779 . 1 1 92 92 GLY H H 1 7.910 0.005 . . . . . . 80 . . . 6190 1 780 . 1 1 92 92 GLY CA C 13 46.034 0.01 . . . . . . 80 . . . 6190 1 781 . 1 1 92 92 GLY HA2 H 1 4.082 0.007 . . . . . . 80 . . . 6190 1 782 . 1 1 92 92 GLY HA3 H 1 3.451 0.008 . . . . . . 80 . . . 6190 1 783 . 1 1 93 93 ALA N N 15 120.625 0.01 . . . . . . 81 . . . 6190 1 784 . 1 1 93 93 ALA H H 1 7.551 0.005 . . . . . . 81 . . . 6190 1 785 . 1 1 93 93 ALA CA C 13 52.303 0.01 . . . . . . 81 . . . 6190 1 786 . 1 1 93 93 ALA HA H 1 3.950 0.008 . . . . . . 81 . . . 6190 1 787 . 1 1 93 93 ALA HB1 H 1 0.829 0.006 . . . . . . 81 . . . 6190 1 788 . 1 1 93 93 ALA HB2 H 1 0.829 0.006 . . . . . . 81 . . . 6190 1 789 . 1 1 93 93 ALA HB3 H 1 0.829 0.006 . . . . . . 81 . . . 6190 1 790 . 1 1 93 93 ALA CB C 13 16.908 0.01 . . . . . . 81 . . . 6190 1 791 . 1 1 94 94 TYR N N 15 113.345 0.01 . . . . . . 82 . . . 6190 1 792 . 1 1 94 94 TYR H H 1 7.460 0.004 . . . . . . 82 . . . 6190 1 793 . 1 1 94 94 TYR CA C 13 55.698 0.01 . . . . . . 82 . . . 6190 1 794 . 1 1 94 94 TYR HA H 1 4.496 0.009 . . . . . . 82 . . . 6190 1 795 . 1 1 94 94 TYR CB C 13 38.441 0.01 . . . . . . 82 . . . 6190 1 796 . 1 1 94 94 TYR HB2 H 1 3.583 0.007 . . . . . . 82 . . . 6190 1 797 . 1 1 94 94 TYR HB3 H 1 2.606 0.009 . . . . . . 82 . . . 6190 1 798 . 1 1 94 94 TYR HE1 H 1 6.630 0.007 . . . . . . 82 . . . 6190 1 799 . 1 1 94 94 TYR HD1 H 1 6.893 0.008 . . . . . . 82 . . . 6190 1 800 . 1 1 95 95 PHE N N 15 124.762 0.01 . . . . . . 83 . . . 6190 1 801 . 1 1 95 95 PHE H H 1 7.440 0.001 . . . . . . 83 . . . 6190 1 802 . 1 1 95 95 PHE CA C 13 57.631 0.01 . . . . . . 83 . . . 6190 1 803 . 1 1 95 95 PHE HA H 1 4.261 0.009 . . . . . . 83 . . . 6190 1 804 . 1 1 95 95 PHE CB C 13 39.235 0.01 . . . . . . 83 . . . 6190 1 805 . 1 1 95 95 PHE HB2 H 1 2.448 0.008 . . . . . . 83 . . . 6190 1 806 . 1 1 95 95 PHE HB3 H 1 3.438 0.016 . . . . . . 83 . . . 6190 1 807 . 1 1 95 95 PHE HZ H 1 5.677 0.003 . . . . . . 83 . . . 6190 1 808 . 1 1 95 95 PHE HD1 H 1 6.754 0.007 . . . . . . 83 . . . 6190 1 809 . 1 1 95 95 PHE HE1 H 1 6.365 0.006 . . . . . . 83 . . . 6190 1 810 . 1 1 96 96 ASN N N 15 128.567 0.01 . . . . . . 84 . . . 6190 1 811 . 1 1 96 96 ASN H H 1 8.075 0.008 . . . . . . 84 . . . 6190 1 812 . 1 1 96 96 ASN CA C 13 51.483 0.01 . . . . . . 84 . . . 6190 1 813 . 1 1 96 96 ASN HA H 1 4.446 0.012 . . . . . . 84 . . . 6190 1 814 . 1 1 96 96 ASN CB C 13 37.911 0.01 . . . . . . 84 . . . 6190 1 815 . 1 1 96 96 ASN HB2 H 1 1.271 0.006 . . . . . . 84 . . . 6190 1 816 . 1 1 96 96 ASN HB3 H 1 1.556 0.008 . . . . . . 84 . . . 6190 1 817 . 1 1 96 96 ASN ND2 N 15 111.856 0.01 . . . . . . 84 . . . 6190 1 818 . 1 1 96 96 ASN HD21 H 1 5.721 0.016 . . . . . . 84 . . . 6190 1 819 . 1 1 96 96 ASN HD22 H 1 7.187 0.004 . . . . . . 84 . . . 6190 1 820 . 1 1 103 103 PHE CB C 13 38.110 0.01 . . . . . . 91 . . . 6190 1 821 . 1 1 103 103 PHE HB2 H 1 3.450 0.01 . . . . . . 91 . . . 6190 1 822 . 1 1 103 103 PHE HB3 H 1 2.770 0.01 . . . . . . 91 . . . 6190 1 823 . 1 1 103 103 PHE HD1 H 1 6.648 0.01 . . . . . . 91 . . . 6190 1 824 . 1 1 103 103 PHE HE1 H 1 6.266 0.01 . . . . . . 91 . . . 6190 1 825 . 1 1 105 105 GLU HA H 1 4.276 0.01 . . . . . . 93 . . . 6190 1 826 . 1 1 105 105 GLU HB2 H 1 1.890 0.005 . . . . . . 93 . . . 6190 1 827 . 1 1 105 105 GLU HG2 H 1 2.016 0.01 . . . . . . 93 . . . 6190 1 828 . 1 1 106 106 THR N N 15 123.934 0.01 . . . . . . 94 . . . 6190 1 829 . 1 1 106 106 THR H H 1 9.164 0.005 . . . . . . 94 . . . 6190 1 830 . 1 1 106 106 THR CA C 13 61.531 0.01 . . . . . . 94 . . . 6190 1 831 . 1 1 106 106 THR HA H 1 4.532 0.005 . . . . . . 94 . . . 6190 1 832 . 1 1 106 106 THR CB C 13 70.612 0.01 . . . . . . 94 . . . 6190 1 833 . 1 1 106 106 THR HB H 1 4.097 0.004 . . . . . . 94 . . . 6190 1 834 . 1 1 106 106 THR HG21 H 1 0.943 0.007 . . . . . . 94 . . . 6190 1 835 . 1 1 106 106 THR HG22 H 1 0.943 0.007 . . . . . . 94 . . . 6190 1 836 . 1 1 106 106 THR HG23 H 1 0.943 0.007 . . . . . . 94 . . . 6190 1 837 . 1 1 106 106 THR CG2 C 13 19.488 0.01 . . . . . . 94 . . . 6190 1 838 . 1 1 107 107 THR N N 15 126.582 0.01 . . . . . . 95 . . . 6190 1 839 . 1 1 107 107 THR H H 1 8.899 0.004 . . . . . . 95 . . . 6190 1 840 . 1 1 107 107 THR CA C 13 60.693 0.01 . . . . . . 95 . . . 6190 1 841 . 1 1 107 107 THR HA H 1 5.140 0.005 . . . . . . 95 . . . 6190 1 842 . 1 1 107 107 THR CB C 13 69.014 0.01 . . . . . . 95 . . . 6190 1 843 . 1 1 107 107 THR HB H 1 3.783 0.010 . . . . . . 95 . . . 6190 1 844 . 1 1 107 107 THR HG21 H 1 0.943 0.008 . . . . . . 95 . . . 6190 1 845 . 1 1 107 107 THR HG22 H 1 0.943 0.008 . . . . . . 95 . . . 6190 1 846 . 1 1 107 107 THR HG23 H 1 0.943 0.008 . . . . . . 95 . . . 6190 1 847 . 1 1 107 107 THR CG2 C 13 20.328 0.01 . . . . . . 95 . . . 6190 1 848 . 1 1 108 108 LEU N N 15 126.913 0.01 . . . . . . 96 . . . 6190 1 849 . 1 1 108 108 LEU H H 1 8.612 0.004 . . . . . . 96 . . . 6190 1 850 . 1 1 108 108 LEU CA C 13 51.524 0.01 . . . . . . 96 . . . 6190 1 851 . 1 1 108 108 LEU HA H 1 4.579 0.004 . . . . . . 96 . . . 6190 1 852 . 1 1 108 108 LEU CB C 13 44.842 0.01 . . . . . . 96 . . . 6190 1 853 . 1 1 108 108 LEU HB2 H 1 1.085 0.011 . . . . . . 96 . . . 6190 1 854 . 1 1 108 108 LEU CG C 13 25.792 0.01 . . . . . . 96 . . . 6190 1 855 . 1 1 108 108 LEU HG H 1 0.741 0.009 . . . . . . 96 . . . 6190 1 856 . 1 1 108 108 LEU HD11 H 1 0.174 0.007 . . . . . . 96 . . . 6190 1 857 . 1 1 108 108 LEU HD12 H 1 0.174 0.007 . . . . . . 96 . . . 6190 1 858 . 1 1 108 108 LEU HD13 H 1 0.174 0.007 . . . . . . 96 . . . 6190 1 859 . 1 1 108 108 LEU HD21 H 1 -0.974 0.006 . . . . . . 96 . . . 6190 1 860 . 1 1 108 108 LEU HD22 H 1 -0.974 0.006 . . . . . . 96 . . . 6190 1 861 . 1 1 108 108 LEU HD23 H 1 -0.974 0.006 . . . . . . 96 . . . 6190 1 862 . 1 1 108 108 LEU CD1 C 13 21.972 0.01 . . . . . . 96 . . . 6190 1 863 . 1 1 108 108 LEU CD2 C 13 22.274 0.01 . . . . . . 96 . . . 6190 1 864 . 1 1 109 109 GLU N N 15 122.776 0.01 . . . . . . 97 . . . 6190 1 865 . 1 1 109 109 GLU H H 1 9.316 0.004 . . . . . . 97 . . . 6190 1 866 . 1 1 109 109 GLU CA C 13 54.332 0.01 . . . . . . 97 . . . 6190 1 867 . 1 1 109 109 GLU HA H 1 4.014 0.006 . . . . . . 97 . . . 6190 1 868 . 1 1 109 109 GLU CB C 13 26.264 0.01 . . . . . . 97 . . . 6190 1 869 . 1 1 109 109 GLU HB2 H 1 2.062 0.005 . . . . . . 97 . . . 6190 1 870 . 1 1 109 109 GLU HB3 H 1 1.650 0.005 . . . . . . 97 . . . 6190 1 871 . 1 1 110 110 PRO CD C 13 49.208 0.01 . . . . . . 98 . . . 6190 1 872 . 1 1 110 110 PRO CA C 13 63.722 0.01 . . . . . . 98 . . . 6190 1 873 . 1 1 110 110 PRO HA H 1 3.929 0.006 . . . . . . 98 . . . 6190 1 874 . 1 1 110 110 PRO CB C 13 30.475 0.01 . . . . . . 98 . . . 6190 1 875 . 1 1 110 110 PRO HB2 H 1 1.958 0.006 . . . . . . 98 . . . 6190 1 876 . 1 1 110 110 PRO HB3 H 1 1.752 0.005 . . . . . . 98 . . . 6190 1 877 . 1 1 110 110 PRO CG C 13 26.905 0.01 . . . . . . 98 . . . 6190 1 878 . 1 1 110 110 PRO HG2 H 1 1.989 0.011 . . . . . . 98 . . . 6190 1 879 . 1 1 110 110 PRO HG3 H 1 1.184 0.003 . . . . . . 98 . . . 6190 1 880 . 1 1 110 110 PRO HD2 H 1 3.687 0.007 . . . . . . 98 . . . 6190 1 881 . 1 1 110 110 PRO HD3 H 1 3.115 0.006 . . . . . . 98 . . . 6190 1 882 . 1 1 111 111 GLY N N 15 114.237 0.099 . . . . . . 99 . . . 6190 1 883 . 1 1 111 111 GLY H H 1 7.760 0.004 . . . . . . 99 . . . 6190 1 884 . 1 1 111 111 GLY CA C 13 44.011 0.01 . . . . . . 99 . . . 6190 1 885 . 1 1 111 111 GLY HA2 H 1 3.715 0.007 . . . . . . 99 . . . 6190 1 886 . 1 1 111 111 GLY HA3 H 1 3.907 0.004 . . . . . . 99 . . . 6190 1 887 . 1 1 112 112 GLU N N 15 123.273 0.01 . . . . . . 100 . . . 6190 1 888 . 1 1 112 112 GLU H H 1 7.910 0.004 . . . . . . 100 . . . 6190 1 889 . 1 1 112 112 GLU CA C 13 55.989 0.01 . . . . . . 100 . . . 6190 1 890 . 1 1 112 112 GLU HA H 1 3.866 0.004 . . . . . . 100 . . . 6190 1 891 . 1 1 112 112 GLU CB C 13 30.105 0.01 . . . . . . 100 . . . 6190 1 892 . 1 1 112 112 GLU HB2 H 1 1.786 0.006 . . . . . . 100 . . . 6190 1 893 . 1 1 112 112 GLU HB3 H 1 1.880 0.007 . . . . . . 100 . . . 6190 1 894 . 1 1 112 112 GLU CG C 13 35.139 0.01 . . . . . . 100 . . . 6190 1 895 . 1 1 112 112 GLU HG2 H 1 2.166 0.010 . . . . . . 100 . . . 6190 1 896 . 1 1 112 112 GLU HG3 H 1 1.825 0.004 . . . . . . 100 . . . 6190 1 897 . 1 1 113 113 GLU N N 15 124.431 0.01 . . . . . . 101 . . . 6190 1 898 . 1 1 113 113 GLU H H 1 8.100 0.004 . . . . . . 101 . . . 6190 1 899 . 1 1 113 113 GLU CA C 13 52.435 0.01 . . . . . . 101 . . . 6190 1 900 . 1 1 113 113 GLU HA H 1 5.190 0.008 . . . . . . 101 . . . 6190 1 901 . 1 1 113 113 GLU CB C 13 32.376 0.01 . . . . . . 101 . . . 6190 1 902 . 1 1 113 113 GLU HB2 H 1 1.751 0.007 . . . . . . 101 . . . 6190 1 903 . 1 1 113 113 GLU HB3 H 1 1.597 0.006 . . . . . . 101 . . . 6190 1 904 . 1 1 113 113 GLU CG C 13 35.971 0.01 . . . . . . 101 . . . 6190 1 905 . 1 1 113 113 GLU HG2 H 1 1.806 0.004 . . . . . . 101 . . . 6190 1 906 . 1 1 113 113 GLU HG3 H 1 1.931 0.005 . . . . . . 101 . . . 6190 1 907 . 1 1 114 114 MET N N 15 124.431 0.01 . . . . . . 102 . . . 6190 1 908 . 1 1 114 114 MET H H 1 8.934 0.003 . . . . . . 102 . . . 6190 1 909 . 1 1 114 114 MET CA C 13 53.505 0.01 . . . . . . 102 . . . 6190 1 910 . 1 1 114 114 MET HA H 1 4.542 0.007 . . . . . . 102 . . . 6190 1 911 . 1 1 114 114 MET CB C 13 36.795 0.01 . . . . . . 102 . . . 6190 1 912 . 1 1 114 114 MET HB2 H 1 1.587 0.005 . . . . . . 102 . . . 6190 1 913 . 1 1 114 114 MET HB3 H 1 1.475 0.004 . . . . . . 102 . . . 6190 1 914 . 1 1 114 114 MET CG C 13 30.343 0.01 . . . . . . 102 . . . 6190 1 915 . 1 1 114 114 MET HG2 H 1 2.097 0.011 . . . . . . 102 . . . 6190 1 916 . 1 1 114 114 MET HG3 H 1 2.252 0.007 . . . . . . 102 . . . 6190 1 917 . 1 1 115 115 GLU N N 15 125.424 0.01 . . . . . . 103 . . . 6190 1 918 . 1 1 115 115 GLU H H 1 8.452 0.004 . . . . . . 103 . . . 6190 1 919 . 1 1 115 115 GLU HA H 1 4.749 0.005 . . . . . . 103 . . . 6190 1 920 . 1 1 115 115 GLU HB2 H 1 1.773 0.004 . . . . . . 103 . . . 6190 1 921 . 1 1 115 115 GLU HB3 H 1 1.941 0.001 . . . . . . 103 . . . 6190 1 922 . 1 1 116 116 MET N N 15 123.604 0.01 . . . . . . 104 . . . 6190 1 923 . 1 1 116 116 MET H H 1 8.919 0.002 . . . . . . 104 . . . 6190 1 924 . 1 1 116 116 MET CA C 13 51.449 0.01 . . . . . . 104 . . . 6190 1 925 . 1 1 116 116 MET HA H 1 4.797 0.012 . . . . . . 104 . . . 6190 1 926 . 1 1 116 116 MET CB C 13 33.819 0.01 . . . . . . 104 . . . 6190 1 927 . 1 1 116 116 MET HB2 H 1 1.257 0.007 . . . . . . 104 . . . 6190 1 928 . 1 1 116 116 MET HB3 H 1 1.177 0.002 . . . . . . 104 . . . 6190 1 929 . 1 1 116 116 MET CG C 13 31.237 0.01 . . . . . . 104 . . . 6190 1 930 . 1 1 116 116 MET HG2 H 1 2.004 0.008 . . . . . . 104 . . . 6190 1 931 . 1 1 116 116 MET HG3 H 1 1.829 0.007 . . . . . . 104 . . . 6190 1 932 . 1 1 117 117 PRO CD C 13 50.400 0.01 . . . . . . 105 . . . 6190 1 933 . 1 1 117 117 PRO CA C 13 61.107 0.01 . . . . . . 105 . . . 6190 1 934 . 1 1 117 117 PRO HA H 1 5.288 0.006 . . . . . . 105 . . . 6190 1 935 . 1 1 117 117 PRO CB C 13 32.000 0.01 . . . . . . 105 . . . 6190 1 936 . 1 1 117 117 PRO HB2 H 1 1.637 0.009 . . . . . . 105 . . . 6190 1 937 . 1 1 117 117 PRO HB3 H 1 2.015 0.006 . . . . . . 105 . . . 6190 1 938 . 1 1 117 117 PRO CG C 13 20.551 0.01 . . . . . . 105 . . . 6190 1 939 . 1 1 117 117 PRO HG2 H 1 2.021 0.009 . . . . . . 105 . . . 6190 1 940 . 1 1 117 117 PRO HG3 H 1 1.827 0.004 . . . . . . 105 . . . 6190 1 941 . 1 1 117 117 PRO HD2 H 1 3.796 0.003 . . . . . . 105 . . . 6190 1 942 . 1 1 117 117 PRO HD3 H 1 3.628 0.006 . . . . . . 105 . . . 6190 1 943 . 1 1 118 118 VAL N N 15 119.741 0.079 . . . . . . 106 . . . 6190 1 944 . 1 1 118 118 VAL H H 1 8.838 0.002 . . . . . . 106 . . . 6190 1 945 . 1 1 118 118 VAL CA C 13 60.618 0.01 . . . . . . 106 . . . 6190 1 946 . 1 1 118 118 VAL HA H 1 4.456 0.008 . . . . . . 106 . . . 6190 1 947 . 1 1 118 118 VAL CB C 13 32.563 0.01 . . . . . . 106 . . . 6190 1 948 . 1 1 118 118 VAL HB H 1 2.006 0.009 . . . . . . 106 . . . 6190 1 949 . 1 1 118 118 VAL HG11 H 1 1.118 0.006 . . . . . . 106 . . . 6190 1 950 . 1 1 118 118 VAL HG12 H 1 1.118 0.006 . . . . . . 106 . . . 6190 1 951 . 1 1 118 118 VAL HG13 H 1 1.118 0.006 . . . . . . 106 . . . 6190 1 952 . 1 1 118 118 VAL CG1 C 13 19.120 0.162 . . . . . . 106 . . . 6190 1 953 . 1 1 119 119 VAL N N 15 126.913 0.01 . . . . . . 107 . . . 6190 1 954 . 1 1 119 119 VAL H H 1 8.667 0.002 . . . . . . 107 . . . 6190 1 955 . 1 1 119 119 VAL CA C 13 58.895 0.01 . . . . . . 107 . . . 6190 1 956 . 1 1 119 119 VAL HA H 1 5.376 0.006 . . . . . . 107 . . . 6190 1 957 . 1 1 119 119 VAL CB C 13 32.145 0.01 . . . . . . 107 . . . 6190 1 958 . 1 1 119 119 VAL HB H 1 1.765 0.008 . . . . . . 107 . . . 6190 1 959 . 1 1 119 119 VAL HG11 H 1 0.863 0.015 . . . . . . 107 . . . 6190 1 960 . 1 1 119 119 VAL HG12 H 1 0.863 0.015 . . . . . . 107 . . . 6190 1 961 . 1 1 119 119 VAL HG13 H 1 0.863 0.015 . . . . . . 107 . . . 6190 1 962 . 1 1 119 119 VAL HG21 H 1 0.719 0.008 . . . . . . 107 . . . 6190 1 963 . 1 1 119 119 VAL HG22 H 1 0.719 0.008 . . . . . . 107 . . . 6190 1 964 . 1 1 119 119 VAL HG23 H 1 0.719 0.008 . . . . . . 107 . . . 6190 1 965 . 1 1 120 120 PHE N N 15 124.762 0.01 . . . . . . 108 . . . 6190 1 966 . 1 1 120 120 PHE H H 1 8.911 0.004 . . . . . . 108 . . . 6190 1 967 . 1 1 120 120 PHE CA C 13 54.437 0.01 . . . . . . 108 . . . 6190 1 968 . 1 1 120 120 PHE HA H 1 5.744 0.008 . . . . . . 108 . . . 6190 1 969 . 1 1 120 120 PHE CB C 13 42.675 0.01 . . . . . . 108 . . . 6190 1 970 . 1 1 120 120 PHE HB2 H 1 2.303 0.005 . . . . . . 108 . . . 6190 1 971 . 1 1 120 120 PHE HB3 H 1 2.464 0.010 . . . . . . 108 . . . 6190 1 972 . 1 1 120 120 PHE HZ H 1 6.792 0.004 . . . . . . 108 . . . 6190 1 973 . 1 1 120 120 PHE HD1 H 1 6.529 0.008 . . . . . . 108 . . . 6190 1 974 . 1 1 120 120 PHE HE1 H 1 7.090 0.005 . . . . . . 108 . . . 6190 1 975 . 1 1 121 121 PHE N N 15 112.849 0.01 . . . . . . 109 . . . 6190 1 976 . 1 1 121 121 PHE H H 1 8.477 0.006 . . . . . . 109 . . . 6190 1 977 . 1 1 121 121 PHE HA H 1 4.772 0.010 . . . . . . 109 . . . 6190 1 978 . 1 1 121 121 PHE CB C 13 42.591 0.01 . . . . . . 109 . . . 6190 1 979 . 1 1 121 121 PHE HB2 H 1 2.933 0.008 . . . . . . 109 . . . 6190 1 980 . 1 1 121 121 PHE HB3 H 1 2.327 0.009 . . . . . . 109 . . . 6190 1 981 . 1 1 121 121 PHE HZ H 1 6.521 0.01 . . . . . . 109 . . . 6190 1 982 . 1 1 121 121 PHE HD1 H 1 6.794 0.008 . . . . . . 109 . . . 6190 1 983 . 1 1 121 121 PHE HE1 H 1 7.094 0.006 . . . . . . 109 . . . 6190 1 984 . 1 1 122 122 VAL N N 15 121.778 0.009 . . . . . . 110 . . . 6190 1 985 . 1 1 122 122 VAL H H 1 9.345 0.001 . . . . . . 110 . . . 6190 1 986 . 1 1 122 122 VAL CA C 13 60.562 0.01 . . . . . . 110 . . . 6190 1 987 . 1 1 122 122 VAL HA H 1 4.376 0.010 . . . . . . 110 . . . 6190 1 988 . 1 1 122 122 VAL CB C 13 31.341 0.01 . . . . . . 110 . . . 6190 1 989 . 1 1 122 122 VAL HB H 1 1.872 0.005 . . . . . . 110 . . . 6190 1 990 . 1 1 122 122 VAL HG11 H 1 0.908 0.008 . . . . . . 110 . . . 6190 1 991 . 1 1 122 122 VAL HG12 H 1 0.908 0.008 . . . . . . 110 . . . 6190 1 992 . 1 1 122 122 VAL HG13 H 1 0.908 0.008 . . . . . . 110 . . . 6190 1 993 . 1 1 123 123 ASP N N 15 129.891 0.01 . . . . . . 111 . . . 6190 1 994 . 1 1 123 123 ASP H H 1 9.178 0.005 . . . . . . 111 . . . 6190 1 995 . 1 1 123 123 ASP HA H 1 4.648 0.009 . . . . . . 111 . . . 6190 1 996 . 1 1 123 123 ASP CB C 13 42.997 0.01 . . . . . . 111 . . . 6190 1 997 . 1 1 123 123 ASP HB2 H 1 3.044 0.007 . . . . . . 111 . . . 6190 1 998 . 1 1 123 123 ASP HB3 H 1 2.640 0.010 . . . . . . 111 . . . 6190 1 999 . 1 1 124 124 PRO CD C 13 50.737 0.01 . . . . . . 112 . . . 6190 1 1000 . 1 1 124 124 PRO CA C 13 63.653 0.01 . . . . . . 112 . . . 6190 1 1001 . 1 1 124 124 PRO HA H 1 4.198 0.003 . . . . . . 112 . . . 6190 1 1002 . 1 1 124 124 PRO CB C 13 31.532 0.01 . . . . . . 112 . . . 6190 1 1003 . 1 1 124 124 PRO HB2 H 1 2.081 0.009 . . . . . . 112 . . . 6190 1 1004 . 1 1 124 124 PRO HB3 H 1 1.980 0.011 . . . . . . 112 . . . 6190 1 1005 . 1 1 124 124 PRO CG C 13 26.565 0.01 . . . . . . 112 . . . 6190 1 1006 . 1 1 124 124 PRO HG2 H 1 2.074 0.011 . . . . . . 112 . . . 6190 1 1007 . 1 1 124 124 PRO HG3 H 1 1.750 0.006 . . . . . . 112 . . . 6190 1 1008 . 1 1 124 124 PRO HD2 H 1 4.132 0.008 . . . . . . 112 . . . 6190 1 1009 . 1 1 124 124 PRO HD3 H 1 3.992 0.004 . . . . . . 112 . . . 6190 1 1010 . 1 1 125 125 GLU N N 15 119.964 0.01 . . . . . . 113 . . . 6190 1 1011 . 1 1 125 125 GLU H H 1 9.139 0.01 . . . . . . 113 . . . 6190 1 1012 . 1 1 125 125 GLU CA C 13 57.109 0.01 . . . . . . 113 . . . 6190 1 1013 . 1 1 125 125 GLU HA H 1 3.839 0.004 . . . . . . 113 . . . 6190 1 1014 . 1 1 125 125 GLU CB C 13 28.459 0.01 . . . . . . 113 . . . 6190 1 1015 . 1 1 125 125 GLU HB2 H 1 2.036 0.014 . . . . . . 113 . . . 6190 1 1016 . 1 1 125 125 GLU HB3 H 1 1.934 0.004 . . . . . . 113 . . . 6190 1 1017 . 1 1 125 125 GLU CG C 13 35.884 0.01 . . . . . . 113 . . . 6190 1 1018 . 1 1 125 125 GLU HG2 H 1 2.443 0.006 . . . . . . 113 . . . 6190 1 1019 . 1 1 125 125 GLU HG3 H 1 2.302 0.005 . . . . . . 113 . . . 6190 1 1020 . 1 1 126 126 ILE N N 15 118.640 0.01 . . . . . . 114 . . . 6190 1 1021 . 1 1 126 126 ILE H H 1 8.043 0.005 . . . . . . 114 . . . 6190 1 1022 . 1 1 126 126 ILE CA C 13 62.871 0.01 . . . . . . 114 . . . 6190 1 1023 . 1 1 126 126 ILE HA H 1 2.513 0.005 . . . . . . 114 . . . 6190 1 1024 . 1 1 126 126 ILE CB C 13 37.182 0.01 . . . . . . 114 . . . 6190 1 1025 . 1 1 126 126 ILE HB H 1 1.536 0.006 . . . . . . 114 . . . 6190 1 1026 . 1 1 126 126 ILE HG21 H 1 0.646 0.005 . . . . . . 114 . . . 6190 1 1027 . 1 1 126 126 ILE HG22 H 1 0.646 0.005 . . . . . . 114 . . . 6190 1 1028 . 1 1 126 126 ILE HG23 H 1 0.646 0.005 . . . . . . 114 . . . 6190 1 1029 . 1 1 126 126 ILE CG1 C 13 28.529 0.01 . . . . . . 114 . . . 6190 1 1030 . 1 1 126 126 ILE HG12 H 1 1.147 0.006 . . . . . . 114 . . . 6190 1 1031 . 1 1 126 126 ILE HG13 H 1 0.961 0.010 . . . . . . 114 . . . 6190 1 1032 . 1 1 126 126 ILE HD11 H 1 0.679 0.007 . . . . . . 114 . . . 6190 1 1033 . 1 1 126 126 ILE HD12 H 1 0.679 0.007 . . . . . . 114 . . . 6190 1 1034 . 1 1 126 126 ILE HD13 H 1 0.679 0.007 . . . . . . 114 . . . 6190 1 1035 . 1 1 126 126 ILE CD1 C 13 12.663 0.01 . . . . . . 114 . . . 6190 1 1036 . 1 1 127 127 VAL N N 15 110.202 0.01 . . . . . . 115 . . . 6190 1 1037 . 1 1 127 127 VAL H H 1 6.618 0.002 . . . . . . 115 . . . 6190 1 1038 . 1 1 127 127 VAL CA C 13 61.222 0.01 . . . . . . 115 . . . 6190 1 1039 . 1 1 127 127 VAL HA H 1 4.012 0.004 . . . . . . 115 . . . 6190 1 1040 . 1 1 127 127 VAL CB C 13 29.735 0.01 . . . . . . 115 . . . 6190 1 1041 . 1 1 127 127 VAL HB H 1 2.317 0.003 . . . . . . 115 . . . 6190 1 1042 . 1 1 127 127 VAL HG11 H 1 0.792 0.007 . . . . . . 115 . . . 6190 1 1043 . 1 1 127 127 VAL HG12 H 1 0.792 0.007 . . . . . . 115 . . . 6190 1 1044 . 1 1 127 127 VAL HG13 H 1 0.792 0.007 . . . . . . 115 . . . 6190 1 1045 . 1 1 127 127 VAL HG21 H 1 0.761 0.010 . . . . . . 115 . . . 6190 1 1046 . 1 1 127 127 VAL HG22 H 1 0.761 0.010 . . . . . . 115 . . . 6190 1 1047 . 1 1 127 127 VAL HG23 H 1 0.761 0.010 . . . . . . 115 . . . 6190 1 1048 . 1 1 127 127 VAL CG1 C 13 20.958 0.01 . . . . . . 115 . . . 6190 1 1049 . 1 1 127 127 VAL CG2 C 13 16.836 0.01 . . . . . . 115 . . . 6190 1 1050 . 1 1 128 128 LYS N N 15 120.460 0.01 . . . . . . 116 . . . 6190 1 1051 . 1 1 128 128 LYS H H 1 7.553 0.004 . . . . . . 116 . . . 6190 1 1052 . 1 1 128 128 LYS CA C 13 58.087 0.01 . . . . . . 116 . . . 6190 1 1053 . 1 1 128 128 LYS HA H 1 4.251 0.005 . . . . . . 116 . . . 6190 1 1054 . 1 1 128 128 LYS CB C 13 29.946 0.01 . . . . . . 116 . . . 6190 1 1055 . 1 1 128 128 LYS HB2 H 1 1.960 0.005 . . . . . . 116 . . . 6190 1 1056 . 1 1 128 128 LYS HB3 H 1 1.681 0.008 . . . . . . 116 . . . 6190 1 1057 . 1 1 128 128 LYS CG C 13 24.667 0.01 . . . . . . 116 . . . 6190 1 1058 . 1 1 128 128 LYS HG2 H 1 1.325 0.006 . . . . . . 116 . . . 6190 1 1059 . 1 1 128 128 LYS HG3 H 1 1.158 0.005 . . . . . . 116 . . . 6190 1 1060 . 1 1 128 128 LYS CD C 13 27.928 0.01 . . . . . . 116 . . . 6190 1 1061 . 1 1 128 128 LYS HD2 H 1 1.571 0.008 . . . . . . 116 . . . 6190 1 1062 . 1 1 128 128 LYS HE2 H 1 2.831 0.002 . . . . . . 116 . . . 6190 1 1063 . 1 1 129 129 PRO CD C 13 49.356 0.01 . . . . . . 117 . . . 6190 1 1064 . 1 1 129 129 PRO CA C 13 62.529 0.01 . . . . . . 117 . . . 6190 1 1065 . 1 1 129 129 PRO HA H 1 4.423 0.005 . . . . . . 117 . . . 6190 1 1066 . 1 1 129 129 PRO CB C 13 30.578 0.01 . . . . . . 117 . . . 6190 1 1067 . 1 1 129 129 PRO HB2 H 1 2.271 0.004 . . . . . . 117 . . . 6190 1 1068 . 1 1 129 129 PRO HB3 H 1 1.924 0.043 . . . . . . 117 . . . 6190 1 1069 . 1 1 129 129 PRO CG C 13 26.601 0.01 . . . . . . 117 . . . 6190 1 1070 . 1 1 129 129 PRO HG2 H 1 2.123 0.005 . . . . . . 117 . . . 6190 1 1071 . 1 1 129 129 PRO HG3 H 1 1.820 0.005 . . . . . . 117 . . . 6190 1 1072 . 1 1 129 129 PRO HD2 H 1 3.847 0.005 . . . . . . 117 . . . 6190 1 1073 . 1 1 129 129 PRO HD3 H 1 3.205 0.006 . . . . . . 117 . . . 6190 1 1074 . 1 1 130 130 VAL N N 15 122.114 0.01 . . . . . . 118 . . . 6190 1 1075 . 1 1 130 130 VAL H H 1 8.451 0.006 . . . . . . 118 . . . 6190 1 1076 . 1 1 130 130 VAL CA C 13 64.363 0.01 . . . . . . 118 . . . 6190 1 1077 . 1 1 130 130 VAL HA H 1 3.583 0.006 . . . . . . 118 . . . 6190 1 1078 . 1 1 130 130 VAL CB C 13 30.658 0.01 . . . . . . 118 . . . 6190 1 1079 . 1 1 130 130 VAL HB H 1 1.953 0.005 . . . . . . 118 . . . 6190 1 1080 . 1 1 130 130 VAL HG11 H 1 0.856 0.005 . . . . . . 118 . . . 6190 1 1081 . 1 1 130 130 VAL HG12 H 1 0.856 0.005 . . . . . . 118 . . . 6190 1 1082 . 1 1 130 130 VAL HG13 H 1 0.856 0.005 . . . . . . 118 . . . 6190 1 1083 . 1 1 130 130 VAL HG21 H 1 0.921 0.007 . . . . . . 118 . . . 6190 1 1084 . 1 1 130 130 VAL HG22 H 1 0.921 0.007 . . . . . . 118 . . . 6190 1 1085 . 1 1 130 130 VAL HG23 H 1 0.921 0.007 . . . . . . 118 . . . 6190 1 1086 . 1 1 130 130 VAL CG1 C 13 19.737 0.01 . . . . . . 118 . . . 6190 1 1087 . 1 1 131 131 GLU N N 15 116.511 0.025 . . . . . . 119 . . . 6190 1 1088 . 1 1 131 131 GLU H H 1 9.081 0.001 . . . . . . 119 . . . 6190 1 1089 . 1 1 131 131 GLU CA C 13 58.538 0.01 . . . . . . 119 . . . 6190 1 1090 . 1 1 131 131 GLU HA H 1 4.012 0.007 . . . . . . 119 . . . 6190 1 1091 . 1 1 131 131 GLU CB C 13 28.445 0.01 . . . . . . 119 . . . 6190 1 1092 . 1 1 131 131 GLU HB2 H 1 1.999 0.014 . . . . . . 119 . . . 6190 1 1093 . 1 1 131 131 GLU HB3 H 1 1.913 0.005 . . . . . . 119 . . . 6190 1 1094 . 1 1 131 131 GLU CG C 13 35.887 0.01 . . . . . . 119 . . . 6190 1 1095 . 1 1 131 131 GLU HG2 H 1 2.338 0.008 . . . . . . 119 . . . 6190 1 1096 . 1 1 131 131 GLU HG3 H 1 2.253 0.003 . . . . . . 119 . . . 6190 1 1097 . 1 1 132 132 THR N N 15 104.080 0.01 . . . . . . 120 . . . 6190 1 1098 . 1 1 132 132 THR H H 1 7.081 0.004 . . . . . . 120 . . . 6190 1 1099 . 1 1 132 132 THR CA C 13 60.385 0.01 . . . . . . 120 . . . 6190 1 1100 . 1 1 132 132 THR HA H 1 4.382 0.009 . . . . . . 120 . . . 6190 1 1101 . 1 1 132 132 THR CB C 13 67.374 0.01 . . . . . . 120 . . . 6190 1 1102 . 1 1 132 132 THR HB H 1 4.207 0.010 . . . . . . 120 . . . 6190 1 1103 . 1 1 132 132 THR HG21 H 1 0.871 0.008 . . . . . . 120 . . . 6190 1 1104 . 1 1 132 132 THR HG22 H 1 0.871 0.008 . . . . . . 120 . . . 6190 1 1105 . 1 1 132 132 THR HG23 H 1 0.871 0.008 . . . . . . 120 . . . 6190 1 1106 . 1 1 132 132 THR HG1 H 1 5.045 0.01 . . . . . . 120 . . . 6190 1 1107 . 1 1 132 132 THR CG2 C 13 20.603 0.01 . . . . . . 120 . . . 6190 1 1108 . 1 1 133 133 GLN N N 15 122.611 0.01 . . . . . . 121 . . . 6190 1 1109 . 1 1 133 133 GLN H H 1 7.660 0.003 . . . . . . 121 . . . 6190 1 1110 . 1 1 133 133 GLN CA C 13 57.047 0.01 . . . . . . 121 . . . 6190 1 1111 . 1 1 133 133 GLN HA H 1 3.937 0.008 . . . . . . 121 . . . 6190 1 1112 . 1 1 133 133 GLN CB C 13 26.974 0.01 . . . . . . 121 . . . 6190 1 1113 . 1 1 133 133 GLN HB2 H 1 1.913 0.007 . . . . . . 121 . . . 6190 1 1114 . 1 1 133 133 GLN HB3 H 1 1.827 0.006 . . . . . . 121 . . . 6190 1 1115 . 1 1 133 133 GLN CG C 13 32.405 0.01 . . . . . . 121 . . . 6190 1 1116 . 1 1 133 133 GLN HG2 H 1 2.319 0.009 . . . . . . 121 . . . 6190 1 1117 . 1 1 133 133 GLN NE2 N 15 110.533 0.01 . . . . . . 121 . . . 6190 1 1118 . 1 1 133 133 GLN HE21 H 1 7.074 0.001 . . . . . . 121 . . . 6190 1 1119 . 1 1 133 133 GLN HE22 H 1 6.656 0.003 . . . . . . 121 . . . 6190 1 1120 . 1 1 134 134 GLY N N 15 107.720 0.01 . . . . . . 122 . . . 6190 1 1121 . 1 1 134 134 GLY H H 1 8.592 0.002 . . . . . . 122 . . . 6190 1 1122 . 1 1 134 134 GLY CA C 13 43.687 0.01 . . . . . . 122 . . . 6190 1 1123 . 1 1 134 134 GLY HA2 H 1 3.640 0.004 . . . . . . 122 . . . 6190 1 1124 . 1 1 134 134 GLY HA3 H 1 3.950 0.012 . . . . . . 122 . . . 6190 1 1125 . 1 1 135 135 ILE N N 15 121.122 0.01 . . . . . . 123 . . . 6190 1 1126 . 1 1 135 135 ILE H H 1 7.348 0.01 . . . . . . 123 . . . 6190 1 1127 . 1 1 135 135 ILE CA C 13 61.581 0.01 . . . . . . 123 . . . 6190 1 1128 . 1 1 135 135 ILE HA H 1 3.839 0.006 . . . . . . 123 . . . 6190 1 1129 . 1 1 135 135 ILE CB C 13 36.509 0.01 . . . . . . 123 . . . 6190 1 1130 . 1 1 135 135 ILE HB H 1 1.788 0.005 . . . . . . 123 . . . 6190 1 1131 . 1 1 135 135 ILE HG21 H 1 0.743 0.007 . . . . . . 123 . . . 6190 1 1132 . 1 1 135 135 ILE HG22 H 1 0.743 0.007 . . . . . . 123 . . . 6190 1 1133 . 1 1 135 135 ILE HG23 H 1 0.743 0.007 . . . . . . 123 . . . 6190 1 1134 . 1 1 135 135 ILE CG2 C 13 16.294 0.01 . . . . . . 123 . . . 6190 1 1135 . 1 1 135 135 ILE CG1 C 13 26.855 0.01 . . . . . . 123 . . . 6190 1 1136 . 1 1 135 135 ILE HG12 H 1 1.533 0.006 . . . . . . 123 . . . 6190 1 1137 . 1 1 135 135 ILE HG13 H 1 1.016 0.007 . . . . . . 123 . . . 6190 1 1138 . 1 1 135 135 ILE HD11 H 1 0.792 0.011 . . . . . . 123 . . . 6190 1 1139 . 1 1 135 135 ILE HD12 H 1 0.792 0.011 . . . . . . 123 . . . 6190 1 1140 . 1 1 135 135 ILE HD13 H 1 0.792 0.011 . . . . . . 123 . . . 6190 1 1141 . 1 1 135 135 ILE CD1 C 13 13.401 0.01 . . . . . . 123 . . . 6190 1 1142 . 1 1 136 136 LYS N N 15 124.431 0.01 . . . . . . 124 . . . 6190 1 1143 . 1 1 136 136 LYS H H 1 8.474 0.006 . . . . . . 124 . . . 6190 1 1144 . 1 1 136 136 LYS HA H 1 4.580 0.006 . . . . . . 124 . . . 6190 1 1145 . 1 1 136 136 LYS CB C 13 32.711 0.01 . . . . . . 124 . . . 6190 1 1146 . 1 1 136 136 LYS HB2 H 1 2.017 0.006 . . . . . . 124 . . . 6190 1 1147 . 1 1 136 136 LYS HB3 H 1 1.658 0.006 . . . . . . 124 . . . 6190 1 1148 . 1 1 136 136 LYS CG C 13 23.101 0.01 . . . . . . 124 . . . 6190 1 1149 . 1 1 136 136 LYS HG2 H 1 1.439 0.007 . . . . . . 124 . . . 6190 1 1150 . 1 1 136 136 LYS HG3 H 1 1.316 0.008 . . . . . . 124 . . . 6190 1 1151 . 1 1 136 136 LYS CD C 13 26.934 0.01 . . . . . . 124 . . . 6190 1 1152 . 1 1 136 136 LYS HD2 H 1 1.573 0.010 . . . . . . 124 . . . 6190 1 1153 . 1 1 136 136 LYS CE C 13 41.148 0.01 . . . . . . 124 . . . 6190 1 1154 . 1 1 136 136 LYS HE2 H 1 2.903 0.006 . . . . . . 124 . . . 6190 1 1155 . 1 1 136 136 LYS HE3 H 1 2.844 0.002 . . . . . . 124 . . . 6190 1 1156 . 1 1 137 137 THR N N 15 114.173 0.01 . . . . . . 125 . . . 6190 1 1157 . 1 1 137 137 THR H H 1 7.295 0.001 . . . . . . 125 . . . 6190 1 1158 . 1 1 137 137 THR CA C 13 59.005 0.01 . . . . . . 125 . . . 6190 1 1159 . 1 1 137 137 THR HA H 1 5.343 0.006 . . . . . . 125 . . . 6190 1 1160 . 1 1 137 137 THR CB C 13 70.243 0.01 . . . . . . 125 . . . 6190 1 1161 . 1 1 137 137 THR HB H 1 3.848 0.009 . . . . . . 125 . . . 6190 1 1162 . 1 1 137 137 THR HG21 H 1 0.957 0.008 . . . . . . 125 . . . 6190 1 1163 . 1 1 137 137 THR HG22 H 1 0.957 0.008 . . . . . . 125 . . . 6190 1 1164 . 1 1 137 137 THR HG23 H 1 0.957 0.008 . . . . . . 125 . . . 6190 1 1165 . 1 1 137 137 THR CG2 C 13 20.484 0.01 . . . . . . 125 . . . 6190 1 1166 . 1 1 138 138 LEU N N 15 124.762 0.01 . . . . . . 126 . . . 6190 1 1167 . 1 1 138 138 LEU H H 1 8.838 0.002 . . . . . . 126 . . . 6190 1 1168 . 1 1 138 138 LEU CA C 13 52.423 0.01 . . . . . . 126 . . . 6190 1 1169 . 1 1 138 138 LEU HA H 1 4.948 0.005 . . . . . . 126 . . . 6190 1 1170 . 1 1 138 138 LEU CB C 13 44.858 0.01 . . . . . . 126 . . . 6190 1 1171 . 1 1 138 138 LEU HB2 H 1 1.496 0.011 . . . . . . 126 . . . 6190 1 1172 . 1 1 138 138 LEU HB3 H 1 1.251 0.004 . . . . . . 126 . . . 6190 1 1173 . 1 1 138 138 LEU CG C 13 25.531 0.01 . . . . . . 126 . . . 6190 1 1174 . 1 1 138 138 LEU HG H 1 0.648 0.010 . . . . . . 126 . . . 6190 1 1175 . 1 1 138 138 LEU HD11 H 1 0.359 0.066 . . . . . . 126 . . . 6190 1 1176 . 1 1 138 138 LEU HD12 H 1 0.359 0.066 . . . . . . 126 . . . 6190 1 1177 . 1 1 138 138 LEU HD13 H 1 0.359 0.066 . . . . . . 126 . . . 6190 1 1178 . 1 1 138 138 LEU HD21 H 1 0.287 0.001 . . . . . . 126 . . . 6190 1 1179 . 1 1 138 138 LEU HD22 H 1 0.287 0.001 . . . . . . 126 . . . 6190 1 1180 . 1 1 138 138 LEU HD23 H 1 0.287 0.001 . . . . . . 126 . . . 6190 1 1181 . 1 1 139 139 THR N N 15 117.151 0.01 . . . . . . 127 . . . 6190 1 1182 . 1 1 139 139 THR H H 1 8.925 0.002 . . . . . . 127 . . . 6190 1 1183 . 1 1 139 139 THR CA C 13 60.321 0.01 . . . . . . 127 . . . 6190 1 1184 . 1 1 139 139 THR HA H 1 4.806 0.009 . . . . . . 127 . . . 6190 1 1185 . 1 1 139 139 THR CB C 13 70.173 0.01 . . . . . . 127 . . . 6190 1 1186 . 1 1 139 139 THR HB H 1 3.608 0.006 . . . . . . 127 . . . 6190 1 1187 . 1 1 139 139 THR HG21 H 1 0.753 0.009 . . . . . . 127 . . . 6190 1 1188 . 1 1 139 139 THR HG22 H 1 0.753 0.009 . . . . . . 127 . . . 6190 1 1189 . 1 1 139 139 THR HG23 H 1 0.753 0.009 . . . . . . 127 . . . 6190 1 1190 . 1 1 139 139 THR CG2 C 13 19.799 0.01 . . . . . . 127 . . . 6190 1 1191 . 1 1 140 140 LEU N N 15 130.883 0.01 . . . . . . 128 . . . 6190 1 1192 . 1 1 140 140 LEU H H 1 8.719 0.007 . . . . . . 128 . . . 6190 1 1193 . 1 1 140 140 LEU CA C 13 52.367 0.01 . . . . . . 128 . . . 6190 1 1194 . 1 1 140 140 LEU HA H 1 4.459 0.006 . . . . . . 128 . . . 6190 1 1195 . 1 1 140 140 LEU CB C 13 41.974 0.01 . . . . . . 128 . . . 6190 1 1196 . 1 1 140 140 LEU HB2 H 1 1.869 0.006 . . . . . . 128 . . . 6190 1 1197 . 1 1 140 140 LEU HB3 H 1 1.819 0.005 . . . . . . 128 . . . 6190 1 1198 . 1 1 140 140 LEU HG H 1 1.517 0.004 . . . . . . 128 . . . 6190 1 1199 . 1 1 140 140 LEU HD11 H 1 0.974 0.016 . . . . . . 128 . . . 6190 1 1200 . 1 1 140 140 LEU HD12 H 1 0.974 0.016 . . . . . . 128 . . . 6190 1 1201 . 1 1 140 140 LEU HD13 H 1 0.974 0.016 . . . . . . 128 . . . 6190 1 1202 . 1 1 140 140 LEU HD21 H 1 0.287 0.005 . . . . . . 128 . . . 6190 1 1203 . 1 1 140 140 LEU HD22 H 1 0.287 0.005 . . . . . . 128 . . . 6190 1 1204 . 1 1 140 140 LEU HD23 H 1 0.287 0.005 . . . . . . 128 . . . 6190 1 1205 . 1 1 140 140 LEU CD1 C 13 24.044 0.01 . . . . . . 128 . . . 6190 1 1206 . 1 1 140 140 LEU CD2 C 13 22.199 0.01 . . . . . . 128 . . . 6190 1 1207 . 1 1 141 141 SER N N 15 118.971 0.01 . . . . . . 129 . . . 6190 1 1208 . 1 1 141 141 SER H H 1 8.337 0.008 . . . . . . 129 . . . 6190 1 1209 . 1 1 141 141 SER CA C 13 54.437 0.01 . . . . . . 129 . . . 6190 1 1210 . 1 1 141 141 SER HA H 1 5.143 0.005 . . . . . . 129 . . . 6190 1 1211 . 1 1 141 141 SER CB C 13 63.765 0.01 . . . . . . 129 . . . 6190 1 1212 . 1 1 141 141 SER HB2 H 1 3.371 0.005 . . . . . . 129 . . . 6190 1 1213 . 1 1 141 141 SER HB3 H 1 3.454 0.007 . . . . . . 129 . . . 6190 1 1214 . 1 1 142 142 TYR N N 15 122.611 0.01 . . . . . . 130 . . . 6190 1 1215 . 1 1 142 142 TYR H H 1 7.439 0.007 . . . . . . 130 . . . 6190 1 1216 . 1 1 142 142 TYR CA C 13 56.081 0.01 . . . . . . 130 . . . 6190 1 1217 . 1 1 142 142 TYR HA H 1 5.466 0.008 . . . . . . 130 . . . 6190 1 1218 . 1 1 142 142 TYR CB C 13 43.521 0.01 . . . . . . 130 . . . 6190 1 1219 . 1 1 142 142 TYR HB2 H 1 2.770 0.010 . . . . . . 130 . . . 6190 1 1220 . 1 1 142 142 TYR HB3 H 1 2.738 0.016 . . . . . . 130 . . . 6190 1 1221 . 1 1 142 142 TYR HE1 H 1 5.982 0.012 . . . . . . 130 . . . 6190 1 1222 . 1 1 142 142 TYR HD1 H 1 6.532 0.008 . . . . . . 130 . . . 6190 1 1223 . 1 1 143 143 THR H H 1 8.288 0.01 . . . . . . 131 . . . 6190 1 1224 . 1 1 143 143 THR CA C 13 60.107 0.01 . . . . . . 131 . . . 6190 1 1225 . 1 1 143 143 THR HA H 1 5.293 0.01 . . . . . . 131 . . . 6190 1 1226 . 1 1 143 143 THR CB C 13 70.219 0.01 . . . . . . 131 . . . 6190 1 1227 . 1 1 143 143 THR HB H 1 3.681 0.01 . . . . . . 131 . . . 6190 1 1228 . 1 1 143 143 THR HG21 H 1 0.378 0.01 . . . . . . 131 . . . 6190 1 1229 . 1 1 143 143 THR HG22 H 1 0.378 0.01 . . . . . . 131 . . . 6190 1 1230 . 1 1 143 143 THR HG23 H 1 0.378 0.01 . . . . . . 131 . . . 6190 1 1231 . 1 1 143 143 THR CG2 C 13 19.633 0.01 . . . . . . 131 . . . 6190 1 1232 . 1 1 144 144 PHE N N 15 127.243 0.01 . . . . . . 132 . . . 6190 1 1233 . 1 1 144 144 PHE H H 1 8.317 0.01 . . . . . . 132 . . . 6190 1 1234 . 1 1 144 144 PHE HA H 1 4.322 0.01 . . . . . . 132 . . . 6190 1 1235 . 1 1 144 144 PHE HB2 H 1 2.474 0.01 . . . . . . 132 . . . 6190 1 1236 . 1 1 144 144 PHE HB3 H 1 1.936 0.01 . . . . . . 132 . . . 6190 1 1237 . 1 1 144 144 PHE HZ H 1 7.104 0.01 . . . . . . 132 . . . 6190 1 1238 . 1 1 144 144 PHE HD1 H 1 5.628 0.01 . . . . . . 132 . . . 6190 1 1239 . 1 1 144 144 PHE HE1 H 1 6.757 0.01 . . . . . . 132 . . . 6190 1 1240 . 1 1 145 145 TYR N N 15 120.460 0.01 . . . . . . 133 . . . 6190 1 1241 . 1 1 145 145 TYR H H 1 8.534 0.01 . . . . . . 133 . . . 6190 1 1242 . 1 1 145 145 TYR CB C 13 36.326 0.01 . . . . . . 133 . . . 6190 1 1243 . 1 1 145 145 TYR HB2 H 1 2.901 0.01 . . . . . . 133 . . . 6190 1 1244 . 1 1 145 145 TYR HB3 H 1 2.730 0.01 . . . . . . 133 . . . 6190 1 1245 . 1 1 145 145 TYR HE1 H 1 6.720 0.01 . . . . . . 133 . . . 6190 1 1246 . 1 1 145 145 TYR HD1 H 1 7.036 0.01 . . . . . . 133 . . . 6190 1 1247 . 1 1 146 146 PRO CD C 13 49.665 0.01 . . . . . . 134 . . . 6190 1 1248 . 1 1 146 146 PRO CA C 13 61.531 0.01 . . . . . . 134 . . . 6190 1 1249 . 1 1 146 146 PRO HA H 1 4.590 0.012 . . . . . . 134 . . . 6190 1 1250 . 1 1 146 146 PRO CB C 13 30.441 0.01 . . . . . . 134 . . . 6190 1 1251 . 1 1 146 146 PRO HB2 H 1 1.812 0.01 . . . . . . 134 . . . 6190 1 1252 . 1 1 146 146 PRO HB3 H 1 1.874 0.006 . . . . . . 134 . . . 6190 1 1253 . 1 1 146 146 PRO CG C 13 20.955 0.01 . . . . . . 134 . . . 6190 1 1254 . 1 1 146 146 PRO HG2 H 1 2.119 0.01 . . . . . . 134 . . . 6190 1 1255 . 1 1 146 146 PRO HG3 H 1 1.925 0.01 . . . . . . 134 . . . 6190 1 1256 . 1 1 146 146 PRO HD2 H 1 3.355 0.01 . . . . . . 134 . . . 6190 1 1257 . 1 1 146 146 PRO HD3 H 1 3.845 0.01 . . . . . . 134 . . . 6190 1 1258 . 1 1 147 147 ARG N N 15 120.460 0.01 . . . . . . 135 . . . 6190 1 1259 . 1 1 147 147 ARG H H 1 7.847 0.01 . . . . . . 135 . . . 6190 1 1260 . 1 1 147 147 ARG CA C 13 53.123 0.01 . . . . . . 135 . . . 6190 1 1261 . 1 1 147 147 ARG HA H 1 4.343 0.006 . . . . . . 135 . . . 6190 1 1262 . 1 1 147 147 ARG CB C 13 28.223 0.01 . . . . . . 135 . . . 6190 1 1263 . 1 1 147 147 ARG HB2 H 1 1.567 0.003 . . . . . . 135 . . . 6190 1 1264 . 1 1 147 147 ARG HB3 H 1 1.341 0.007 . . . . . . 135 . . . 6190 1 1265 . 1 1 147 147 ARG CG C 13 24.642 0.01 . . . . . . 135 . . . 6190 1 1266 . 1 1 147 147 ARG HG2 H 1 1.299 0.017 . . . . . . 135 . . . 6190 1 1267 . 1 1 147 147 ARG HD2 H 1 2.967 0.011 . . . . . . 135 . . . 6190 1 1268 . 1 1 148 148 GLU N N 15 123.273 0.01 . . . . . . 136 . . . 6190 1 1269 . 1 1 148 148 GLU H H 1 8.399 0.002 . . . . . . 136 . . . 6190 1 1270 . 1 1 148 148 GLU CA C 13 52.714 0.01 . . . . . . 136 . . . 6190 1 1271 . 1 1 148 148 GLU HA H 1 4.498 0.008 . . . . . . 136 . . . 6190 1 1272 . 1 1 148 148 GLU CB C 13 29.046 0.01 . . . . . . 136 . . . 6190 1 1273 . 1 1 148 148 GLU HB2 H 1 1.906 0.012 . . . . . . 136 . . . 6190 1 1274 . 1 1 148 148 GLU HB3 H 1 1.756 0.006 . . . . . . 136 . . . 6190 1 1275 . 1 1 148 148 GLU CG C 13 34.906 0.01 . . . . . . 136 . . . 6190 1 1276 . 1 1 148 148 GLU HG2 H 1 2.184 0.006 . . . . . . 136 . . . 6190 1 1277 . 1 1 149 149 PRO CD C 13 49.602 0.01 . . . . . . 137 . . . 6190 1 1278 . 1 1 149 149 PRO CA C 13 61.874 0.01 . . . . . . 137 . . . 6190 1 1279 . 1 1 149 149 PRO HA H 1 4.343 0.004 . . . . . . 137 . . . 6190 1 1280 . 1 1 149 149 PRO CB C 13 30.968 0.01 . . . . . . 137 . . . 6190 1 1281 . 1 1 149 149 PRO HB2 H 1 2.189 0.004 . . . . . . 137 . . . 6190 1 1282 . 1 1 149 149 PRO HB3 H 1 1.834 0.003 . . . . . . 137 . . . 6190 1 1283 . 1 1 149 149 PRO CG C 13 26.267 0.01 . . . . . . 137 . . . 6190 1 1284 . 1 1 149 149 PRO HG2 H 1 1.930 0.003 . . . . . . 137 . . . 6190 1 1285 . 1 1 149 149 PRO HD2 H 1 3.644 0.003 . . . . . . 137 . . . 6190 1 1286 . 1 1 150 150 SER N N 15 118.309 0.01 . . . . . . 138 . . . 6190 1 1287 . 1 1 150 150 SER H H 1 9.124 0.030 . . . . . . 138 . . . 6190 1 1288 . 1 1 150 150 SER CA C 13 57.746 0.01 . . . . . . 138 . . . 6190 1 1289 . 1 1 150 150 SER HA H 1 4.234 0.006 . . . . . . 138 . . . 6190 1 1290 . 1 1 150 150 SER CB C 13 62.457 0.01 . . . . . . 138 . . . 6190 1 1291 . 1 1 150 150 SER HB2 H 1 3.748 0.004 . . . . . . 138 . . . 6190 1 1292 . 1 1 151 151 LYS N N 15 123.769 0.01 . . . . . . 139 . . . 6190 1 1293 . 1 1 151 151 LYS H H 1 8.061 0.023 . . . . . . 139 . . . 6190 1 1294 . 1 1 151 151 LYS CA C 13 52.866 0.01 . . . . . . 139 . . . 6190 1 1295 . 1 1 151 151 LYS HA H 1 4.538 0.009 . . . . . . 139 . . . 6190 1 1296 . 1 1 151 151 LYS CB C 13 31.683 0.01 . . . . . . 139 . . . 6190 1 1297 . 1 1 151 151 LYS HB2 H 1 1.708 0.004 . . . . . . 139 . . . 6190 1 1298 . 1 1 151 151 LYS HB3 H 1 1.595 0.014 . . . . . . 139 . . . 6190 1 1299 . 1 1 151 151 LYS CG C 13 23.421 0.01 . . . . . . 139 . . . 6190 1 1300 . 1 1 151 151 LYS HG2 H 1 1.342 0.005 . . . . . . 139 . . . 6190 1 1301 . 1 1 151 151 LYS HD2 H 1 1.598 0.01 . . . . . . 139 . . . 6190 1 1302 . 1 1 152 152 PRO CD C 13 49.300 0.01 . . . . . . 140 . . . 6190 1 1303 . 1 1 152 152 PRO HA H 1 4.330 0.01 . . . . . . 140 . . . 6190 1 1304 . 1 1 152 152 PRO CG C 13 25.900 0.01 . . . . . . 140 . . . 6190 1 1305 . 1 1 152 152 PRO HG2 H 1 1.914 0.005 . . . . . . 140 . . . 6190 1 1306 . 1 1 152 152 PRO HD2 H 1 3.710 0.006 . . . . . . 140 . . . 6190 1 1307 . 1 1 152 152 PRO HD3 H 1 3.516 0.009 . . . . . . 140 . . . 6190 1 1308 . 1 1 153 153 VAL N N 15 120.625 0.01 . . . . . . 141 . . . 6190 1 1309 . 1 1 153 153 VAL H H 1 8.152 0.003 . . . . . . 141 . . . 6190 1 1310 . 1 1 153 153 VAL CA C 13 60.891 0.01 . . . . . . 141 . . . 6190 1 1311 . 1 1 153 153 VAL HA H 1 3.946 0.012 . . . . . . 141 . . . 6190 1 1312 . 1 1 153 153 VAL CB C 13 31.708 0.01 . . . . . . 141 . . . 6190 1 1313 . 1 1 153 153 VAL HB H 1 1.949 0.014 . . . . . . 141 . . . 6190 1 1314 . 1 1 153 153 VAL HG11 H 1 0.848 0.005 . . . . . . 141 . . . 6190 1 1315 . 1 1 153 153 VAL HG12 H 1 0.848 0.005 . . . . . . 141 . . . 6190 1 1316 . 1 1 153 153 VAL HG13 H 1 0.848 0.005 . . . . . . 141 . . . 6190 1 1317 . 1 1 154 154 ALA N N 15 128.071 0.01 . . . . . . 142 . . . 6190 1 1318 . 1 1 154 154 ALA H H 1 8.265 0.003 . . . . . . 142 . . . 6190 1 1319 . 1 1 154 154 ALA CA C 13 51.004 0.01 . . . . . . 142 . . . 6190 1 1320 . 1 1 154 154 ALA HA H 1 4.198 0.006 . . . . . . 142 . . . 6190 1 1321 . 1 1 154 154 ALA HB1 H 1 1.262 0.004 . . . . . . 142 . . . 6190 1 1322 . 1 1 154 154 ALA HB2 H 1 1.262 0.004 . . . . . . 142 . . . 6190 1 1323 . 1 1 154 154 ALA HB3 H 1 1.262 0.004 . . . . . . 142 . . . 6190 1 1324 . 1 1 155 155 GLN N N 15 120.129 0.01 . . . . . . 143 . . . 6190 1 1325 . 1 1 155 155 GLN H H 1 8.233 0.003 . . . . . . 143 . . . 6190 1 1326 . 1 1 155 155 GLN CA C 13 54.504 0.01 . . . . . . 143 . . . 6190 1 1327 . 1 1 155 155 GLN HA H 1 4.221 0.002 . . . . . . 143 . . . 6190 1 1328 . 1 1 155 155 GLN CB C 13 28.612 0.01 . . . . . . 143 . . . 6190 1 1329 . 1 1 155 155 GLN HB2 H 1 1.964 0.012 . . . . . . 143 . . . 6190 1 1330 . 1 1 155 155 GLN HB3 H 1 1.838 0.015 . . . . . . 143 . . . 6190 1 1331 . 1 1 155 155 GLN HG2 H 1 2.244 0.008 . . . . . . 143 . . . 6190 1 1332 . 1 1 155 155 GLN NE2 N 15 111.195 0.01 . . . . . . 143 . . . 6190 1 1333 . 1 1 155 155 GLN HE21 H 1 7.459 0.001 . . . . . . 143 . . . 6190 1 1334 . 1 1 155 155 GLN HE22 H 1 6.739 0.004 . . . . . . 143 . . . 6190 1 1335 . 1 1 156 156 VAL N N 15 122.280 0.01 . . . . . . 144 . . . 6190 1 1336 . 1 1 156 156 VAL H H 1 8.104 0.015 . . . . . . 144 . . . 6190 1 1337 . 1 1 156 156 VAL HA H 1 3.977 0.009 . . . . . . 144 . . . 6190 1 1338 . 1 1 156 156 VAL HG11 H 1 0.820 0.01 . . . . . . 144 . . . 6190 1 1339 . 1 1 156 156 VAL HG12 H 1 0.820 0.01 . . . . . . 144 . . . 6190 1 1340 . 1 1 156 156 VAL HG13 H 1 0.820 0.01 . . . . . . 144 . . . 6190 1 1341 . 1 1 157 157 LYS H H 1 7.871 0.01 . . . . . . 145 . . . 6190 1 1342 . 1 1 157 157 LYS HA H 1 4.005 0.01 . . . . . . 145 . . . 6190 1 1343 . 1 1 161 161 GLU H H 1 8.349 0.01 . . . . . . 149 . . . 6190 1 1344 . 1 1 161 161 GLU HA H 1 4.127 0.01 . . . . . . 149 . . . 6190 1 stop_ save_