data_16737 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16737 _Entry.Title ; 1H,13C and 15N chemical shift assignment for NMB1343 apoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-19 _Entry.Accession_date 2010-02-19 _Entry.Last_release_date 2011-05-20 _Entry.Original_release_date 2011-05-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Christian Koehler . . . 16737 2 Ludovic Carlier . . . 16737 3 Daniele Veggi . . . 16737 4 Marco Soriani . . . 16737 5 Mariagrazia Pizza . . . 16737 6 Rolf Boelens . . . 16737 7 Alexandre Bonvin . M.J.J. . 16737 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16737 heteronucl_NOEs 1 16737 heteronucl_T1_relaxation 1 16737 heteronucl_T2_relaxation 1 16737 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 590 16737 '15N chemical shifts' 157 16737 '1H chemical shifts' 1020 16737 'heteronuclear NOE values' 103 16737 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-20 2010-02-19 original author . 16737 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXI 'BMRB Entry Tracking System' 16737 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16737 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21367854 _Citation.Full_citation . _Citation.Title 'Structural and Biochemical Characterization of NarE, an Iron-containing ADP-ribosyltransferase from Neisseria meningitidis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 17 _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 14842 _Citation.Page_last 14851 _Citation.Year 2011 _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 Christian Koehler . . . 16737 1 2 Ludovic Carlier . . . 16737 1 3 Daniele Veggi . . . 16737 1 4 Enrico Balducci . . . 16737 1 5 Federica 'Di Marcello' . . . 16737 1 6 Mario Ferrer-Navarro . . . 16737 1 7 Mariagrazia Pizza . . . 16737 1 8 Xavier Daura . . . 16737 1 9 Marco Soriani . . . 16737 1 10 Rolf Boelens . . . 16737 1 11 'Alexandre M J J' Bonvin . . . 16737 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16737 _Assembly.ID 1 _Assembly.Name NMB1343 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NMB1343 1 $NMB1343 A . yes native no no . 'polymer chain' . 16737 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 128 128 SG . . . . . . . . . . 16737 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes GenBank AAF41718.1 . . 'solution NMR' . . . 16737 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ADP-ribosyltransferase 16737 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NMB1343 _Entity.Sf_category entity _Entity.Sf_framecode NMB1343 _Entity.Entry_ID 16737 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NMB1343 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGNFLYRGISCQQDEQNNGQ LKPKGNKAEVAIRYDGKFKY DGKATHGPSVKNAVYAHQIE TGLYDGCYISTTTDKEIAKK FATSSGIENGYIYVLNRDLF GQYSIFEYEVEHPENPNEKE VTIRAEDCGCIPEEVIIAKE LIEINLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'C terminal residues LEHHHHHH are purification tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KXI . "Solution Nmr Structure Of The Apoform Of Nare (Nmb1343)" . . . . . 100.00 153 100.00 100.00 1.04e-107 . . . . 16737 1 2 no EMBL CCI72935 . "hypothetical protein BN21_0900 [Neisseria meningitidis alpha704]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 3 no GB AAF41718 . "hypothetical protein NMB1343 [Neisseria meningitidis MC58]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 4 no GB ADO31780 . "hypothetical protein NMBB_1484A [Neisseria meningitidis alpha710]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 5 no GB ADY97402 . "conserved hypothetical protein [Neisseria meningitidis M01-240149]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 6 no GB ADZ03753 . "hypothetical protein NMBNZ0533_1330 [Neisseria meningitidis NZ-05/33]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 7 no GB AJC62209 . "hypothetical protein N875_00270 [Neisseria meningitidis LNP21362]" . . . . . 94.77 145 99.31 100.00 2.31e-100 . . . . 16737 1 8 no REF NP_274362 . "hypothetical protein NMB1343 [Neisseria meningitidis MC58]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 9 no REF WP_002219146 . "hypothetical protein [Neisseria meningitidis]" . . . . . 94.77 145 100.00 100.00 5.72e-101 . . . . 16737 1 10 no REF WP_016687434 . "hypothetical protein [Neisseria sicca]" . . . . . 94.77 145 97.93 99.31 1.00e-98 . . . . 16737 1 11 no REF WP_029670159 . "hypothetical protein [Neisseria gonorrhoeae]" . . . . . 93.46 144 97.20 99.30 2.58e-96 . . . . 16737 1 12 no REF WP_039637683 . "hypothetical protein [Neisseria meningitidis]" . . . . . 94.77 145 99.31 100.00 2.31e-100 . . . . 16737 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ADP-ribosyltransferase 16737 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16737 1 2 . GLY . 16737 1 3 . ASN . 16737 1 4 . PHE . 16737 1 5 . LEU . 16737 1 6 . TYR . 16737 1 7 . ARG . 16737 1 8 . GLY . 16737 1 9 . ILE . 16737 1 10 . SER . 16737 1 11 . CYS . 16737 1 12 . GLN . 16737 1 13 . GLN . 16737 1 14 . ASP . 16737 1 15 . GLU . 16737 1 16 . GLN . 16737 1 17 . ASN . 16737 1 18 . ASN . 16737 1 19 . GLY . 16737 1 20 . GLN . 16737 1 21 . LEU . 16737 1 22 . LYS . 16737 1 23 . PRO . 16737 1 24 . LYS . 16737 1 25 . GLY . 16737 1 26 . ASN . 16737 1 27 . LYS . 16737 1 28 . ALA . 16737 1 29 . GLU . 16737 1 30 . VAL . 16737 1 31 . ALA . 16737 1 32 . ILE . 16737 1 33 . ARG . 16737 1 34 . TYR . 16737 1 35 . ASP . 16737 1 36 . GLY . 16737 1 37 . LYS . 16737 1 38 . PHE . 16737 1 39 . LYS . 16737 1 40 . TYR . 16737 1 41 . ASP . 16737 1 42 . GLY . 16737 1 43 . LYS . 16737 1 44 . ALA . 16737 1 45 . THR . 16737 1 46 . HIS . 16737 1 47 . GLY . 16737 1 48 . PRO . 16737 1 49 . SER . 16737 1 50 . VAL . 16737 1 51 . LYS . 16737 1 52 . ASN . 16737 1 53 . ALA . 16737 1 54 . VAL . 16737 1 55 . TYR . 16737 1 56 . ALA . 16737 1 57 . HIS . 16737 1 58 . GLN . 16737 1 59 . ILE . 16737 1 60 . GLU . 16737 1 61 . THR . 16737 1 62 . GLY . 16737 1 63 . LEU . 16737 1 64 . TYR . 16737 1 65 . ASP . 16737 1 66 . GLY . 16737 1 67 . CYS . 16737 1 68 . TYR . 16737 1 69 . ILE . 16737 1 70 . SER . 16737 1 71 . THR . 16737 1 72 . THR . 16737 1 73 . THR . 16737 1 74 . ASP . 16737 1 75 . LYS . 16737 1 76 . GLU . 16737 1 77 . ILE . 16737 1 78 . ALA . 16737 1 79 . LYS . 16737 1 80 . LYS . 16737 1 81 . PHE . 16737 1 82 . ALA . 16737 1 83 . THR . 16737 1 84 . SER . 16737 1 85 . SER . 16737 1 86 . GLY . 16737 1 87 . ILE . 16737 1 88 . GLU . 16737 1 89 . ASN . 16737 1 90 . GLY . 16737 1 91 . TYR . 16737 1 92 . ILE . 16737 1 93 . TYR . 16737 1 94 . VAL . 16737 1 95 . LEU . 16737 1 96 . ASN . 16737 1 97 . ARG . 16737 1 98 . ASP . 16737 1 99 . LEU . 16737 1 100 . PHE . 16737 1 101 . GLY . 16737 1 102 . GLN . 16737 1 103 . TYR . 16737 1 104 . SER . 16737 1 105 . ILE . 16737 1 106 . PHE . 16737 1 107 . GLU . 16737 1 108 . TYR . 16737 1 109 . GLU . 16737 1 110 . VAL . 16737 1 111 . GLU . 16737 1 112 . HIS . 16737 1 113 . PRO . 16737 1 114 . GLU . 16737 1 115 . ASN . 16737 1 116 . PRO . 16737 1 117 . ASN . 16737 1 118 . GLU . 16737 1 119 . LYS . 16737 1 120 . GLU . 16737 1 121 . VAL . 16737 1 122 . THR . 16737 1 123 . ILE . 16737 1 124 . ARG . 16737 1 125 . ALA . 16737 1 126 . GLU . 16737 1 127 . ASP . 16737 1 128 . CYS . 16737 1 129 . GLY . 16737 1 130 . CYS . 16737 1 131 . ILE . 16737 1 132 . PRO . 16737 1 133 . GLU . 16737 1 134 . GLU . 16737 1 135 . VAL . 16737 1 136 . ILE . 16737 1 137 . ILE . 16737 1 138 . ALA . 16737 1 139 . LYS . 16737 1 140 . GLU . 16737 1 141 . LEU . 16737 1 142 . ILE . 16737 1 143 . GLU . 16737 1 144 . ILE . 16737 1 145 . ASN . 16737 1 146 . LEU . 16737 1 147 . GLU . 16737 1 148 . HIS . 16737 1 149 . HIS . 16737 1 150 . HIS . 16737 1 151 . HIS . 16737 1 152 . HIS . 16737 1 153 . HIS . 16737 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 16737 1 . GLY 2 2 16737 1 . ASN 3 3 16737 1 . PHE 4 4 16737 1 . LEU 5 5 16737 1 . TYR 6 6 16737 1 . ARG 7 7 16737 1 . GLY 8 8 16737 1 . ILE 9 9 16737 1 . SER 10 10 16737 1 . CYS 11 11 16737 1 . GLN 12 12 16737 1 . GLN 13 13 16737 1 . ASP 14 14 16737 1 . GLU 15 15 16737 1 . GLN 16 16 16737 1 . ASN 17 17 16737 1 . ASN 18 18 16737 1 . GLY 19 19 16737 1 . GLN 20 20 16737 1 . LEU 21 21 16737 1 . LYS 22 22 16737 1 . PRO 23 23 16737 1 . LYS 24 24 16737 1 . GLY 25 25 16737 1 . ASN 26 26 16737 1 . LYS 27 27 16737 1 . ALA 28 28 16737 1 . GLU 29 29 16737 1 . VAL 30 30 16737 1 . ALA 31 31 16737 1 . ILE 32 32 16737 1 . ARG 33 33 16737 1 . TYR 34 34 16737 1 . ASP 35 35 16737 1 . GLY 36 36 16737 1 . LYS 37 37 16737 1 . PHE 38 38 16737 1 . LYS 39 39 16737 1 . TYR 40 40 16737 1 . ASP 41 41 16737 1 . GLY 42 42 16737 1 . LYS 43 43 16737 1 . ALA 44 44 16737 1 . THR 45 45 16737 1 . HIS 46 46 16737 1 . GLY 47 47 16737 1 . PRO 48 48 16737 1 . SER 49 49 16737 1 . VAL 50 50 16737 1 . LYS 51 51 16737 1 . ASN 52 52 16737 1 . ALA 53 53 16737 1 . VAL 54 54 16737 1 . TYR 55 55 16737 1 . ALA 56 56 16737 1 . HIS 57 57 16737 1 . GLN 58 58 16737 1 . ILE 59 59 16737 1 . GLU 60 60 16737 1 . THR 61 61 16737 1 . GLY 62 62 16737 1 . LEU 63 63 16737 1 . TYR 64 64 16737 1 . ASP 65 65 16737 1 . GLY 66 66 16737 1 . CYS 67 67 16737 1 . TYR 68 68 16737 1 . ILE 69 69 16737 1 . SER 70 70 16737 1 . THR 71 71 16737 1 . THR 72 72 16737 1 . THR 73 73 16737 1 . ASP 74 74 16737 1 . LYS 75 75 16737 1 . GLU 76 76 16737 1 . ILE 77 77 16737 1 . ALA 78 78 16737 1 . LYS 79 79 16737 1 . LYS 80 80 16737 1 . PHE 81 81 16737 1 . ALA 82 82 16737 1 . THR 83 83 16737 1 . SER 84 84 16737 1 . SER 85 85 16737 1 . GLY 86 86 16737 1 . ILE 87 87 16737 1 . GLU 88 88 16737 1 . ASN 89 89 16737 1 . GLY 90 90 16737 1 . TYR 91 91 16737 1 . ILE 92 92 16737 1 . TYR 93 93 16737 1 . VAL 94 94 16737 1 . LEU 95 95 16737 1 . ASN 96 96 16737 1 . ARG 97 97 16737 1 . ASP 98 98 16737 1 . LEU 99 99 16737 1 . PHE 100 100 16737 1 . GLY 101 101 16737 1 . GLN 102 102 16737 1 . TYR 103 103 16737 1 . SER 104 104 16737 1 . ILE 105 105 16737 1 . PHE 106 106 16737 1 . GLU 107 107 16737 1 . TYR 108 108 16737 1 . GLU 109 109 16737 1 . VAL 110 110 16737 1 . GLU 111 111 16737 1 . HIS 112 112 16737 1 . PRO 113 113 16737 1 . GLU 114 114 16737 1 . ASN 115 115 16737 1 . PRO 116 116 16737 1 . ASN 117 117 16737 1 . GLU 118 118 16737 1 . LYS 119 119 16737 1 . GLU 120 120 16737 1 . VAL 121 121 16737 1 . THR 122 122 16737 1 . ILE 123 123 16737 1 . ARG 124 124 16737 1 . ALA 125 125 16737 1 . GLU 126 126 16737 1 . ASP 127 127 16737 1 . CYS 128 128 16737 1 . GLY 129 129 16737 1 . CYS 130 130 16737 1 . ILE 131 131 16737 1 . PRO 132 132 16737 1 . GLU 133 133 16737 1 . GLU 134 134 16737 1 . VAL 135 135 16737 1 . ILE 136 136 16737 1 . ILE 137 137 16737 1 . ALA 138 138 16737 1 . LYS 139 139 16737 1 . GLU 140 140 16737 1 . LEU 141 141 16737 1 . ILE 142 142 16737 1 . GLU 143 143 16737 1 . ILE 144 144 16737 1 . ASN 145 145 16737 1 . LEU 146 146 16737 1 . GLU 147 147 16737 1 . HIS 148 148 16737 1 . HIS 149 149 16737 1 . HIS 150 150 16737 1 . HIS 151 151 16737 1 . HIS 152 152 16737 1 . HIS 153 153 16737 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 16737 _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 $NMB1343 . 487 organism . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Bacteria . Neisseria meningitidis MC58 'serogroup B' . . . . . . . . . . . . . . . . . . . 16737 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 16737 _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 $NMB1343 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21b+ . . . . . . 16737 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16737 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NMB1343 '[U-100% 15N]' . . 1 $NMB1343 . . 0.3 . . mM . . . . 16737 1 2 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 16737 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16737 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 16737 1 5 TSP 'natural abundance' . . . . . . 0.5 . . mM . . . . 16737 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16737 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16737 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16737 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16737 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NMB1343 '[U-100% 13C; U-100% 15N]' . . 1 $NMB1343 . . 0.6 . . mM . . . . 16737 2 2 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 16737 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16737 2 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 16737 2 5 TSP 'natural abundance' . . . . . . 0.5 . . mM . . . . 16737 2 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16737 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16737 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16737 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16737 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NMB1343 '[U-100% 13C; U-100% 15N]' . . 1 $NMB1343 . . 0.8 . . mM . . . . 16737 3 2 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 16737 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16737 3 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 16737 3 5 TSP 'natural abundance' . . . . . . 0.5 . . mM . . . . 16737 3 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16737 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16737 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16737 _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 7.3 . pH 16737 1 pressure 1 . atm 16737 1 temperature 300 . K 16737 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16737 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16737 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16737 1 processing 16737 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16737 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16737 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16737 2 'peak picking' 16737 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16737 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16737 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16737 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16737 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16737 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16737 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16737 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16737 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16737 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16737 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16737 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Oxford Instruments' _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16737 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16737 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 16737 1 2 spectrometer_2 'Oxford Instruments' Avance . 750 . . . 16737 1 3 spectrometer_3 Bruker Avance . 600 . . . 16737 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 16737 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16737 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16737 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16737 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16737 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16737 1 14 '2D 1H-15N HSQC T1 edited' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16737 1 15 '2D 1H-15N HSQC T2 edited' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16737 1 16 '2D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16737 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16737 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'rereferenced with RCI server' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16737 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16737 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16737 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16737 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 16737 1 4 '3D HNCACB' . . . 16737 1 5 '3D HNCO' . . . 16737 1 6 '3D HN(CA)CO' . . . 16737 1 8 '3D HBHA(CO)NH' . . . 16737 1 9 '3D 1H-15N NOESY' . . . 16737 1 10 '3D 1H-13C NOESY' . . . 16737 1 12 '2D 1H-1H TOCSY' . . . 16737 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.43 0.000 . 1 . . . . 1 MET HA . 16737 1 2 . 1 1 1 1 MET HB2 H 1 1.91 0.000 . 2 . . . . 1 MET HB2 . 16737 1 3 . 1 1 1 1 MET HB3 H 1 1.76 0.000 . 2 . . . . 1 MET HB3 . 16737 1 4 . 1 1 1 1 MET CB C 13 26.23 0.000 . 1 . . . . 1 MET CB . 16737 1 5 . 1 1 2 2 GLY H H 1 8.03 0.006 . 1 . . . . 2 GLY H . 16737 1 6 . 1 1 2 2 GLY HA2 H 1 4.05 0.005 . 2 . . . . 2 GLY HA2 . 16737 1 7 . 1 1 2 2 GLY HA3 H 1 3.79 0.000 . 2 . . . . 2 GLY HA3 . 16737 1 8 . 1 1 2 2 GLY CA C 13 44.06 0.081 . 1 . . . . 2 GLY CA . 16737 1 9 . 1 1 2 2 GLY N N 15 107.89 0.097 . 1 . . . . 2 GLY N . 16737 1 10 . 1 1 3 3 ASN H H 1 8.26 0.009 . 1 . . . . 3 ASN H . 16737 1 11 . 1 1 3 3 ASN HA H 1 4.73 0.000 . 1 . . . . 3 ASN HA . 16737 1 12 . 1 1 3 3 ASN HB2 H 1 2.58 0.000 . 2 . . . . 3 ASN HB2 . 16737 1 13 . 1 1 3 3 ASN HB3 H 1 2.43 0.000 . 2 . . . . 3 ASN HB3 . 16737 1 14 . 1 1 3 3 ASN HD21 H 1 7.49 0.000 . 1 . . . . 3 ASN HD21 . 16737 1 15 . 1 1 3 3 ASN HD22 H 1 6.85 0.000 . 1 . . . . 3 ASN HD22 . 16737 1 16 . 1 1 3 3 ASN C C 13 173.82 0.000 . 1 . . . . 3 ASN C . 16737 1 17 . 1 1 3 3 ASN CA C 13 51.58 0.028 . 1 . . . . 3 ASN CA . 16737 1 18 . 1 1 3 3 ASN CB C 13 38.68 0.046 . 1 . . . . 3 ASN CB . 16737 1 19 . 1 1 3 3 ASN N N 15 119.26 0.020 . 1 . . . . 3 ASN N . 16737 1 20 . 1 1 3 3 ASN ND2 N 15 111.43 0.003 . 1 . . . . 3 ASN ND2 . 16737 1 21 . 1 1 4 4 PHE H H 1 8.05 0.010 . 1 . . . . 4 PHE H . 16737 1 22 . 1 1 4 4 PHE HA H 1 5.75 0.026 . 1 . . . . 4 PHE HA . 16737 1 23 . 1 1 4 4 PHE HB2 H 1 2.68 0.027 . 1 . . . . 4 PHE HB2 . 16737 1 24 . 1 1 4 4 PHE HB3 H 1 2.68 0.027 . 1 . . . . 4 PHE HB3 . 16737 1 25 . 1 1 4 4 PHE HD1 H 1 7.12 0.003 . 3 . . . . 4 PHE HD1 . 16737 1 26 . 1 1 4 4 PHE HD2 H 1 7.12 0.003 . 3 . . . . 4 PHE HD2 . 16737 1 27 . 1 1 4 4 PHE HE1 H 1 7.11 0.000 . 3 . . . . 4 PHE HE1 . 16737 1 28 . 1 1 4 4 PHE HE2 H 1 7.11 0.000 . 3 . . . . 4 PHE HE2 . 16737 1 29 . 1 1 4 4 PHE C C 13 176.26 0.012 . 1 . . . . 4 PHE C . 16737 1 30 . 1 1 4 4 PHE CA C 13 54.30 0.039 . 1 . . . . 4 PHE CA . 16737 1 31 . 1 1 4 4 PHE CB C 13 41.64 0.038 . 1 . . . . 4 PHE CB . 16737 1 32 . 1 1 4 4 PHE CD1 C 13 130.59 0.000 . 3 . . . . 4 PHE CD1 . 16737 1 33 . 1 1 4 4 PHE CD2 C 13 130.59 0.000 . 3 . . . . 4 PHE CD2 . 16737 1 34 . 1 1 4 4 PHE CE1 C 13 128.47 0.000 . 3 . . . . 4 PHE CE1 . 16737 1 35 . 1 1 4 4 PHE CE2 C 13 128.47 0.000 . 3 . . . . 4 PHE CE2 . 16737 1 36 . 1 1 4 4 PHE N N 15 121.21 0.020 . 1 . . . . 4 PHE N . 16737 1 37 . 1 1 5 5 LEU H H 1 8.21 0.015 . 1 . . . . 5 LEU H . 16737 1 38 . 1 1 5 5 LEU HA H 1 4.68 0.000 . 1 . . . . 5 LEU HA . 16737 1 39 . 1 1 5 5 LEU HB2 H 1 1.53 0.019 . 2 . . . . 5 LEU HB2 . 16737 1 40 . 1 1 5 5 LEU HB3 H 1 1.38 0.005 . 2 . . . . 5 LEU HB3 . 16737 1 41 . 1 1 5 5 LEU HD11 H 1 0.87 0.011 . 1 . . . . 5 LEU HD11 . 16737 1 42 . 1 1 5 5 LEU HD12 H 1 0.87 0.011 . 1 . . . . 5 LEU HD12 . 16737 1 43 . 1 1 5 5 LEU HD13 H 1 0.87 0.011 . 1 . . . . 5 LEU HD13 . 16737 1 44 . 1 1 5 5 LEU HD21 H 1 0.87 0.011 . 1 . . . . 5 LEU HD21 . 16737 1 45 . 1 1 5 5 LEU HD22 H 1 0.87 0.011 . 1 . . . . 5 LEU HD22 . 16737 1 46 . 1 1 5 5 LEU HD23 H 1 0.87 0.011 . 1 . . . . 5 LEU HD23 . 16737 1 47 . 1 1 5 5 LEU HG H 1 1.28 0.000 . 1 . . . . 5 LEU HG . 16737 1 48 . 1 1 5 5 LEU C C 13 174.33 0.000 . 1 . . . . 5 LEU C . 16737 1 49 . 1 1 5 5 LEU CA C 13 52.81 0.032 . 1 . . . . 5 LEU CA . 16737 1 50 . 1 1 5 5 LEU CB C 13 47.42 0.067 . 1 . . . . 5 LEU CB . 16737 1 51 . 1 1 5 5 LEU N N 15 120.26 0.038 . 1 . . . . 5 LEU N . 16737 1 52 . 1 1 6 6 TYR H H 1 9.07 0.006 . 1 . . . . 6 TYR H . 16737 1 53 . 1 1 6 6 TYR HA H 1 5.77 0.029 . 1 . . . . 6 TYR HA . 16737 1 54 . 1 1 6 6 TYR HB2 H 1 2.69 0.006 . 1 . . . . 6 TYR HB2 . 16737 1 55 . 1 1 6 6 TYR HB3 H 1 2.69 0.006 . 1 . . . . 6 TYR HB3 . 16737 1 56 . 1 1 6 6 TYR HD1 H 1 7.03 0.008 . 3 . . . . 6 TYR HD1 . 16737 1 57 . 1 1 6 6 TYR HD2 H 1 7.03 0.008 . 3 . . . . 6 TYR HD2 . 16737 1 58 . 1 1 6 6 TYR HE1 H 1 6.80 0.000 . 3 . . . . 6 TYR HE1 . 16737 1 59 . 1 1 6 6 TYR HE2 H 1 6.80 0.000 . 3 . . . . 6 TYR HE2 . 16737 1 60 . 1 1 6 6 TYR C C 13 175.04 0.007 . 1 . . . . 6 TYR C . 16737 1 61 . 1 1 6 6 TYR CA C 13 56.35 0.040 . 1 . . . . 6 TYR CA . 16737 1 62 . 1 1 6 6 TYR CB C 13 42.12 0.080 . 1 . . . . 6 TYR CB . 16737 1 63 . 1 1 6 6 TYR CD1 C 13 130.54 0.000 . 3 . . . . 6 TYR CD1 . 16737 1 64 . 1 1 6 6 TYR CD2 C 13 130.54 0.000 . 3 . . . . 6 TYR CD2 . 16737 1 65 . 1 1 6 6 TYR CE1 C 13 115.45 0.000 . 3 . . . . 6 TYR CE1 . 16737 1 66 . 1 1 6 6 TYR CE2 C 13 115.45 0.000 . 3 . . . . 6 TYR CE2 . 16737 1 67 . 1 1 6 6 TYR N N 15 117.05 0.028 . 1 . . . . 6 TYR N . 16737 1 68 . 1 1 7 7 ARG H H 1 9.31 0.007 . 1 . . . . 7 ARG H . 16737 1 69 . 1 1 7 7 ARG HA H 1 5.14 0.019 . 1 . . . . 7 ARG HA . 16737 1 70 . 1 1 7 7 ARG HB2 H 1 1.59 0.000 . 1 . . . . 7 ARG HB2 . 16737 1 71 . 1 1 7 7 ARG HB3 H 1 1.59 0.000 . 1 . . . . 7 ARG HB3 . 16737 1 72 . 1 1 7 7 ARG HD2 H 1 3.13 0.003 . 2 . . . . 7 ARG HD2 . 16737 1 73 . 1 1 7 7 ARG HD3 H 1 2.90 0.000 . 2 . . . . 7 ARG HD3 . 16737 1 74 . 1 1 7 7 ARG HG2 H 1 1.99 0.000 . 2 . . . . 7 ARG HG2 . 16737 1 75 . 1 1 7 7 ARG HG3 H 1 1.46 0.000 . 2 . . . . 7 ARG HG3 . 16737 1 76 . 1 1 7 7 ARG C C 13 174.85 0.001 . 1 . . . . 7 ARG C . 16737 1 77 . 1 1 7 7 ARG CA C 13 54.53 0.056 . 1 . . . . 7 ARG CA . 16737 1 78 . 1 1 7 7 ARG CB C 13 33.91 0.076 . 1 . . . . 7 ARG CB . 16737 1 79 . 1 1 7 7 ARG CD C 13 40.18 0.000 . 1 . . . . 7 ARG CD . 16737 1 80 . 1 1 7 7 ARG N N 15 125.94 0.033 . 1 . . . . 7 ARG N . 16737 1 81 . 1 1 8 8 GLY H H 1 9.71 0.007 . 1 . . . . 8 GLY H . 16737 1 82 . 1 1 8 8 GLY HA2 H 1 5.70 0.029 . 2 . . . . 8 GLY HA2 . 16737 1 83 . 1 1 8 8 GLY HA3 H 1 4.11 0.031 . 2 . . . . 8 GLY HA3 . 16737 1 84 . 1 1 8 8 GLY C C 13 171.45 0.010 . 1 . . . . 8 GLY C . 16737 1 85 . 1 1 8 8 GLY CA C 13 44.77 0.021 . 1 . . . . 8 GLY CA . 16737 1 86 . 1 1 8 8 GLY N N 15 117.59 0.025 . 1 . . . . 8 GLY N . 16737 1 87 . 1 1 9 9 ILE H H 1 9.46 0.010 . 1 . . . . 9 ILE H . 16737 1 88 . 1 1 9 9 ILE HA H 1 4.84 0.014 . 1 . . . . 9 ILE HA . 16737 1 89 . 1 1 9 9 ILE HB H 1 1.92 0.026 . 1 . . . . 9 ILE HB . 16737 1 90 . 1 1 9 9 ILE HD11 H 1 0.99 0.005 . 1 . . . . 9 ILE HD11 . 16737 1 91 . 1 1 9 9 ILE HD12 H 1 0.99 0.005 . 1 . . . . 9 ILE HD12 . 16737 1 92 . 1 1 9 9 ILE HD13 H 1 0.99 0.005 . 1 . . . . 9 ILE HD13 . 16737 1 93 . 1 1 9 9 ILE HG12 H 1 1.82 0.000 . 2 . . . . 9 ILE HG12 . 16737 1 94 . 1 1 9 9 ILE HG13 H 1 1.72 0.000 . 2 . . . . 9 ILE HG13 . 16737 1 95 . 1 1 9 9 ILE HG21 H 1 1.25 0.008 . 1 . . . . 9 ILE HG21 . 16737 1 96 . 1 1 9 9 ILE HG22 H 1 1.25 0.008 . 1 . . . . 9 ILE HG22 . 16737 1 97 . 1 1 9 9 ILE HG23 H 1 1.25 0.008 . 1 . . . . 9 ILE HG23 . 16737 1 98 . 1 1 9 9 ILE C C 13 171.39 0.000 . 1 . . . . 9 ILE C . 16737 1 99 . 1 1 9 9 ILE CA C 13 59.99 0.063 . 1 . . . . 9 ILE CA . 16737 1 100 . 1 1 9 9 ILE CB C 13 41.79 0.086 . 1 . . . . 9 ILE CB . 16737 1 101 . 1 1 9 9 ILE CD1 C 13 11.93 0.108 . 1 . . . . 9 ILE CD1 . 16737 1 102 . 1 1 9 9 ILE CG2 C 13 12.94 0.073 . 1 . . . . 9 ILE CG2 . 16737 1 103 . 1 1 9 9 ILE N N 15 124.67 0.030 . 1 . . . . 9 ILE N . 16737 1 104 . 1 1 10 10 SER H H 1 8.91 0.004 . 1 . . . . 10 SER H . 16737 1 105 . 1 1 10 10 SER HA H 1 5.36 0.020 . 1 . . . . 10 SER HA . 16737 1 106 . 1 1 10 10 SER HB2 H 1 4.37 0.029 . 2 . . . . 10 SER HB2 . 16737 1 107 . 1 1 10 10 SER HB3 H 1 4.08 0.029 . 2 . . . . 10 SER HB3 . 16737 1 108 . 1 1 10 10 SER C C 13 175.19 0.038 . 1 . . . . 10 SER C . 16737 1 109 . 1 1 10 10 SER CA C 13 58.78 0.029 . 1 . . . . 10 SER CA . 16737 1 110 . 1 1 10 10 SER CB C 13 64.49 0.078 . 1 . . . . 10 SER CB . 16737 1 111 . 1 1 10 10 SER N N 15 126.54 0.039 . 1 . . . . 10 SER N . 16737 1 112 . 1 1 11 11 CYS H H 1 9.05 0.019 . 1 . . . . 11 CYS H . 16737 1 113 . 1 1 11 11 CYS HA H 1 4.20 0.017 . 1 . . . . 11 CYS HA . 16737 1 114 . 1 1 11 11 CYS HB2 H 1 3.28 0.021 . 1 . . . . 11 CYS HB2 . 16737 1 115 . 1 1 11 11 CYS HB3 H 1 3.28 0.021 . 1 . . . . 11 CYS HB3 . 16737 1 116 . 1 1 11 11 CYS C C 13 176.76 0.012 . 1 . . . . 11 CYS C . 16737 1 117 . 1 1 11 11 CYS CA C 13 64.01 0.096 . 1 . . . . 11 CYS CA . 16737 1 118 . 1 1 11 11 CYS CB C 13 26.49 0.056 . 1 . . . . 11 CYS CB . 16737 1 119 . 1 1 11 11 CYS N N 15 123.37 0.048 . 1 . . . . 11 CYS N . 16737 1 120 . 1 1 12 12 GLN H H 1 8.44 0.021 . 1 . . . . 12 GLN H . 16737 1 121 . 1 1 12 12 GLN HA H 1 4.27 0.008 . 1 . . . . 12 GLN HA . 16737 1 122 . 1 1 12 12 GLN HB2 H 1 2.12 0.022 . 1 . . . . 12 GLN HB2 . 16737 1 123 . 1 1 12 12 GLN HB3 H 1 2.12 0.022 . 1 . . . . 12 GLN HB3 . 16737 1 124 . 1 1 12 12 GLN HE21 H 1 7.83 0.000 . 1 . . . . 12 GLN HE21 . 16737 1 125 . 1 1 12 12 GLN HE22 H 1 6.89 0.000 . 1 . . . . 12 GLN HE22 . 16737 1 126 . 1 1 12 12 GLN HG2 H 1 2.48 0.018 . 2 . . . . 12 GLN HG2 . 16737 1 127 . 1 1 12 12 GLN HG3 H 1 2.35 0.000 . 2 . . . . 12 GLN HG3 . 16737 1 128 . 1 1 12 12 GLN C C 13 178.44 0.015 . 1 . . . . 12 GLN C . 16737 1 129 . 1 1 12 12 GLN CA C 13 59.35 0.060 . 1 . . . . 12 GLN CA . 16737 1 130 . 1 1 12 12 GLN CB C 13 28.74 0.021 . 1 . . . . 12 GLN CB . 16737 1 131 . 1 1 12 12 GLN CG C 13 31.15 0.000 . 1 . . . . 12 GLN CG . 16737 1 132 . 1 1 12 12 GLN N N 15 118.37 0.021 . 1 . . . . 12 GLN N . 16737 1 133 . 1 1 12 12 GLN NE2 N 15 112.55 0.006 . 1 . . . . 12 GLN NE2 . 16737 1 134 . 1 1 13 13 GLN H H 1 8.00 0.024 . 1 . . . . 13 GLN H . 16737 1 135 . 1 1 13 13 GLN HA H 1 4.15 0.015 . 1 . . . . 13 GLN HA . 16737 1 136 . 1 1 13 13 GLN HB2 H 1 2.23 0.017 . 1 . . . . 13 GLN HB2 . 16737 1 137 . 1 1 13 13 GLN HB3 H 1 2.23 0.017 . 1 . . . . 13 GLN HB3 . 16737 1 138 . 1 1 13 13 GLN HE21 H 1 7.58 0.000 . 1 . . . . 13 GLN HE21 . 16737 1 139 . 1 1 13 13 GLN HE22 H 1 7.00 0.000 . 1 . . . . 13 GLN HE22 . 16737 1 140 . 1 1 13 13 GLN HG2 H 1 2.46 0.000 . 2 . . . . 13 GLN HG2 . 16737 1 141 . 1 1 13 13 GLN HG3 H 1 2.34 0.000 . 2 . . . . 13 GLN HG3 . 16737 1 142 . 1 1 13 13 GLN C C 13 178.24 0.008 . 1 . . . . 13 GLN C . 16737 1 143 . 1 1 13 13 GLN CA C 13 58.73 0.050 . 1 . . . . 13 GLN CA . 16737 1 144 . 1 1 13 13 GLN CB C 13 28.37 0.072 . 1 . . . . 13 GLN CB . 16737 1 145 . 1 1 13 13 GLN CG C 13 31.15 0.000 . 1 . . . . 13 GLN CG . 16737 1 146 . 1 1 13 13 GLN N N 15 120.28 0.023 . 1 . . . . 13 GLN N . 16737 1 147 . 1 1 13 13 GLN NE2 N 15 113.05 0.010 . 1 . . . . 13 GLN NE2 . 16737 1 148 . 1 1 14 14 ASP H H 1 9.05 0.020 . 1 . . . . 14 ASP H . 16737 1 149 . 1 1 14 14 ASP HA H 1 4.57 0.014 . 1 . . . . 14 ASP HA . 16737 1 150 . 1 1 14 14 ASP HB2 H 1 3.05 0.029 . 2 . . . . 14 ASP HB2 . 16737 1 151 . 1 1 14 14 ASP HB3 H 1 2.87 0.005 . 2 . . . . 14 ASP HB3 . 16737 1 152 . 1 1 14 14 ASP C C 13 179.17 0.015 . 1 . . . . 14 ASP C . 16737 1 153 . 1 1 14 14 ASP CA C 13 58.41 0.095 . 1 . . . . 14 ASP CA . 16737 1 154 . 1 1 14 14 ASP CB C 13 44.20 0.045 . 1 . . . . 14 ASP CB . 16737 1 155 . 1 1 14 14 ASP N N 15 122.72 0.023 . 1 . . . . 14 ASP N . 16737 1 156 . 1 1 15 15 GLU H H 1 8.56 0.007 . 1 . . . . 15 GLU H . 16737 1 157 . 1 1 15 15 GLU HA H 1 4.22 0.020 . 1 . . . . 15 GLU HA . 16737 1 158 . 1 1 15 15 GLU HB2 H 1 2.29 0.021 . 2 . . . . 15 GLU HB2 . 16737 1 159 . 1 1 15 15 GLU HB3 H 1 2.17 0.022 . 2 . . . . 15 GLU HB3 . 16737 1 160 . 1 1 15 15 GLU HG2 H 1 2.30 0.000 . 2 . . . . 15 GLU HG2 . 16737 1 161 . 1 1 15 15 GLU HG3 H 1 2.52 0.000 . 2 . . . . 15 GLU HG3 . 16737 1 162 . 1 1 15 15 GLU C C 13 180.83 0.021 . 1 . . . . 15 GLU C . 16737 1 163 . 1 1 15 15 GLU CA C 13 59.46 0.019 . 1 . . . . 15 GLU CA . 16737 1 164 . 1 1 15 15 GLU CB C 13 29.43 0.022 . 1 . . . . 15 GLU CB . 16737 1 165 . 1 1 15 15 GLU CG C 13 33.97 0.026 . 1 . . . . 15 GLU CG . 16737 1 166 . 1 1 15 15 GLU N N 15 120.63 0.052 . 1 . . . . 15 GLU N . 16737 1 167 . 1 1 16 16 GLN H H 1 7.60 0.015 . 1 . . . . 16 GLN H . 16737 1 168 . 1 1 16 16 GLN HA H 1 4.25 0.019 . 1 . . . . 16 GLN HA . 16737 1 169 . 1 1 16 16 GLN HB2 H 1 2.27 0.021 . 1 . . . . 16 GLN HB2 . 16737 1 170 . 1 1 16 16 GLN HB3 H 1 2.27 0.021 . 1 . . . . 16 GLN HB3 . 16737 1 171 . 1 1 16 16 GLN HE21 H 1 7.46 0.000 . 1 . . . . 16 GLN HE21 . 16737 1 172 . 1 1 16 16 GLN HE22 H 1 6.83 0.000 . 1 . . . . 16 GLN HE22 . 16737 1 173 . 1 1 16 16 GLN HG2 H 1 2.59 0.000 . 2 . . . . 16 GLN HG2 . 16737 1 174 . 1 1 16 16 GLN HG3 H 1 2.50 0.000 . 2 . . . . 16 GLN HG3 . 16737 1 175 . 1 1 16 16 GLN C C 13 176.53 0.011 . 1 . . . . 16 GLN C . 16737 1 176 . 1 1 16 16 GLN CA C 13 58.31 0.040 . 1 . . . . 16 GLN CA . 16737 1 177 . 1 1 16 16 GLN CB C 13 28.33 0.044 . 1 . . . . 16 GLN CB . 16737 1 178 . 1 1 16 16 GLN CG C 13 31.38 0.074 . 1 . . . . 16 GLN CG . 16737 1 179 . 1 1 16 16 GLN N N 15 121.63 0.020 . 1 . . . . 16 GLN N . 16737 1 180 . 1 1 16 16 GLN NE2 N 15 111.50 0.010 . 1 . . . . 16 GLN NE2 . 16737 1 181 . 1 1 17 17 ASN H H 1 7.51 0.011 . 1 . . . . 17 ASN H . 16737 1 182 . 1 1 17 17 ASN HA H 1 4.90 0.021 . 1 . . . . 17 ASN HA . 16737 1 183 . 1 1 17 17 ASN HB2 H 1 3.48 0.030 . 2 . . . . 17 ASN HB2 . 16737 1 184 . 1 1 17 17 ASN HB3 H 1 3.15 0.021 . 2 . . . . 17 ASN HB3 . 16737 1 185 . 1 1 17 17 ASN HD21 H 1 7.74 0.000 . 1 . . . . 17 ASN HD21 . 16737 1 186 . 1 1 17 17 ASN HD22 H 1 6.91 0.000 . 1 . . . . 17 ASN HD22 . 16737 1 187 . 1 1 17 17 ASN C C 13 174.78 0.014 . 1 . . . . 17 ASN C . 16737 1 188 . 1 1 17 17 ASN CA C 13 52.46 0.038 . 1 . . . . 17 ASN CA . 16737 1 189 . 1 1 17 17 ASN CB C 13 39.15 0.024 . 1 . . . . 17 ASN CB . 16737 1 190 . 1 1 17 17 ASN N N 15 117.91 0.040 . 1 . . . . 17 ASN N . 16737 1 191 . 1 1 17 17 ASN ND2 N 15 110.11 0.014 . 1 . . . . 17 ASN ND2 . 16737 1 192 . 1 1 18 18 ASN H H 1 8.24 0.013 . 1 . . . . 18 ASN H . 16737 1 193 . 1 1 18 18 ASN HA H 1 4.56 0.023 . 1 . . . . 18 ASN HA . 16737 1 194 . 1 1 18 18 ASN HB2 H 1 3.14 0.036 . 2 . . . . 18 ASN HB2 . 16737 1 195 . 1 1 18 18 ASN HB3 H 1 2.75 0.025 . 2 . . . . 18 ASN HB3 . 16737 1 196 . 1 1 18 18 ASN HD21 H 1 7.62 0.000 . 1 . . . . 18 ASN HD21 . 16737 1 197 . 1 1 18 18 ASN HD22 H 1 7.20 0.000 . 1 . . . . 18 ASN HD22 . 16737 1 198 . 1 1 18 18 ASN C C 13 174.99 0.017 . 1 . . . . 18 ASN C . 16737 1 199 . 1 1 18 18 ASN CA C 13 54.25 0.031 . 1 . . . . 18 ASN CA . 16737 1 200 . 1 1 18 18 ASN CB C 13 38.01 0.069 . 1 . . . . 18 ASN CB . 16737 1 201 . 1 1 18 18 ASN N N 15 118.05 0.059 . 1 . . . . 18 ASN N . 16737 1 202 . 1 1 18 18 ASN ND2 N 15 110.34 0.013 . 1 . . . . 18 ASN ND2 . 16737 1 203 . 1 1 19 19 GLY H H 1 8.47 0.009 . 1 . . . . 19 GLY H . 16737 1 204 . 1 1 19 19 GLY HA2 H 1 3.94 0.000 . 2 . . . . 19 GLY HA2 . 16737 1 205 . 1 1 19 19 GLY HA3 H 1 3.80 0.000 . 2 . . . . 19 GLY HA3 . 16737 1 206 . 1 1 19 19 GLY C C 13 172.99 0.011 . 1 . . . . 19 GLY C . 16737 1 207 . 1 1 19 19 GLY CA C 13 45.94 0.009 . 1 . . . . 19 GLY CA . 16737 1 208 . 1 1 19 19 GLY N N 15 104.08 0.045 . 1 . . . . 19 GLY N . 16737 1 209 . 1 1 20 20 GLN H H 1 7.12 0.013 . 1 . . . . 20 GLN H . 16737 1 210 . 1 1 20 20 GLN HA H 1 4.61 0.014 . 1 . . . . 20 GLN HA . 16737 1 211 . 1 1 20 20 GLN HB2 H 1 1.95 0.009 . 1 . . . . 20 GLN HB2 . 16737 1 212 . 1 1 20 20 GLN HB3 H 1 1.95 0.009 . 1 . . . . 20 GLN HB3 . 16737 1 213 . 1 1 20 20 GLN HE21 H 1 7.53 0.000 . 1 . . . . 20 GLN HE21 . 16737 1 214 . 1 1 20 20 GLN HE22 H 1 6.82 0.000 . 1 . . . . 20 GLN HE22 . 16737 1 215 . 1 1 20 20 GLN HG2 H 1 2.29 0.005 . 1 . . . . 20 GLN HG2 . 16737 1 216 . 1 1 20 20 GLN HG3 H 1 2.29 0.005 . 1 . . . . 20 GLN HG3 . 16737 1 217 . 1 1 20 20 GLN C C 13 175.75 0.013 . 1 . . . . 20 GLN C . 16737 1 218 . 1 1 20 20 GLN CA C 13 53.72 0.049 . 1 . . . . 20 GLN CA . 16737 1 219 . 1 1 20 20 GLN CB C 13 32.52 0.030 . 1 . . . . 20 GLN CB . 16737 1 220 . 1 1 20 20 GLN CG C 13 31.45 0.020 . 1 . . . . 20 GLN CG . 16737 1 221 . 1 1 20 20 GLN N N 15 116.31 0.032 . 1 . . . . 20 GLN N . 16737 1 222 . 1 1 20 20 GLN NE2 N 15 111.97 0.008 . 1 . . . . 20 GLN NE2 . 16737 1 223 . 1 1 21 21 LEU H H 1 9.05 0.012 . 1 . . . . 21 LEU H . 16737 1 224 . 1 1 21 21 LEU HA H 1 4.12 0.037 . 1 . . . . 21 LEU HA . 16737 1 225 . 1 1 21 21 LEU HB2 H 1 1.39 0.009 . 2 . . . . 21 LEU HB2 . 16737 1 226 . 1 1 21 21 LEU HB3 H 1 1.00 0.021 . 2 . . . . 21 LEU HB3 . 16737 1 227 . 1 1 21 21 LEU HD11 H 1 0.24 0.008 . 1 . . . . 21 LEU HD11 . 16737 1 228 . 1 1 21 21 LEU HD12 H 1 0.24 0.008 . 1 . . . . 21 LEU HD12 . 16737 1 229 . 1 1 21 21 LEU HD13 H 1 0.24 0.008 . 1 . . . . 21 LEU HD13 . 16737 1 230 . 1 1 21 21 LEU HD21 H 1 0.24 0.008 . 1 . . . . 21 LEU HD21 . 16737 1 231 . 1 1 21 21 LEU HD22 H 1 0.24 0.008 . 1 . . . . 21 LEU HD22 . 16737 1 232 . 1 1 21 21 LEU HD23 H 1 0.24 0.008 . 1 . . . . 21 LEU HD23 . 16737 1 233 . 1 1 21 21 LEU C C 13 172.78 0.001 . 1 . . . . 21 LEU C . 16737 1 234 . 1 1 21 21 LEU CA C 13 53.96 0.102 . 1 . . . . 21 LEU CA . 16737 1 235 . 1 1 21 21 LEU CB C 13 39.95 0.050 . 1 . . . . 21 LEU CB . 16737 1 236 . 1 1 21 21 LEU CD1 C 13 22.86 0.023 . 2 . . . . 21 LEU CD1 . 16737 1 237 . 1 1 21 21 LEU CD2 C 13 21.49 0.047 . 2 . . . . 21 LEU CD2 . 16737 1 238 . 1 1 21 21 LEU N N 15 126.76 0.041 . 1 . . . . 21 LEU N . 16737 1 239 . 1 1 22 22 LYS H H 1 7.23 0.019 . 1 . . . . 22 LYS H . 16737 1 240 . 1 1 22 22 LYS HA H 1 4.76 0.010 . 1 . . . . 22 LYS HA . 16737 1 241 . 1 1 22 22 LYS HB2 H 1 1.70 0.004 . 2 . . . . 22 LYS HB2 . 16737 1 242 . 1 1 22 22 LYS HB3 H 1 1.59 0.000 . 2 . . . . 22 LYS HB3 . 16737 1 243 . 1 1 22 22 LYS HD2 H 1 1.64 0.000 . 1 . . . . 22 LYS HD2 . 16737 1 244 . 1 1 22 22 LYS HD3 H 1 1.64 0.000 . 1 . . . . 22 LYS HD3 . 16737 1 245 . 1 1 22 22 LYS HE2 H 1 2.96 0.000 . 1 . . . . 22 LYS HE2 . 16737 1 246 . 1 1 22 22 LYS HE3 H 1 2.96 0.000 . 1 . . . . 22 LYS HE3 . 16737 1 247 . 1 1 22 22 LYS HG2 H 1 1.30 0.000 . 1 . . . . 22 LYS HG2 . 16737 1 248 . 1 1 22 22 LYS HG3 H 1 1.30 0.000 . 1 . . . . 22 LYS HG3 . 16737 1 249 . 1 1 22 22 LYS C C 13 172.77 0.000 . 1 . . . . 22 LYS C . 16737 1 250 . 1 1 22 22 LYS CA C 13 52.97 0.072 . 1 . . . . 22 LYS CA . 16737 1 251 . 1 1 22 22 LYS CB C 13 34.43 0.014 . 1 . . . . 22 LYS CB . 16737 1 252 . 1 1 22 22 LYS N N 15 124.40 0.047 . 1 . . . . 22 LYS N . 16737 1 253 . 1 1 23 23 PRO HA H 1 4.46 0.007 . 1 . . . . 23 PRO HA . 16737 1 254 . 1 1 23 23 PRO HB2 H 1 1.94 0.029 . 1 . . . . 23 PRO HB2 . 16737 1 255 . 1 1 23 23 PRO HB3 H 1 1.94 0.029 . 1 . . . . 23 PRO HB3 . 16737 1 256 . 1 1 23 23 PRO HD2 H 1 3.52 0.000 . 2 . . . . 23 PRO HD2 . 16737 1 257 . 1 1 23 23 PRO HD3 H 1 3.63 0.000 . 2 . . . . 23 PRO HD3 . 16737 1 258 . 1 1 23 23 PRO HG2 H 1 1.53 0.548 . 2 . . . . 23 PRO HG2 . 16737 1 259 . 1 1 23 23 PRO HG3 H 1 1.74 0.000 . 2 . . . . 23 PRO HG3 . 16737 1 260 . 1 1 23 23 PRO C C 13 175.25 0.012 . 1 . . . . 23 PRO C . 16737 1 261 . 1 1 23 23 PRO CA C 13 62.24 0.099 . 1 . . . . 23 PRO CA . 16737 1 262 . 1 1 23 23 PRO CB C 13 32.38 0.000 . 1 . . . . 23 PRO CB . 16737 1 263 . 1 1 23 23 PRO CD C 13 48.02 0.053 . 1 . . . . 23 PRO CD . 16737 1 264 . 1 1 24 24 LYS H H 1 8.54 0.006 . 1 . . . . 24 LYS H . 16737 1 265 . 1 1 24 24 LYS HA H 1 4.28 0.008 . 1 . . . . 24 LYS HA . 16737 1 266 . 1 1 24 24 LYS HB2 H 1 1.84 0.038 . 1 . . . . 24 LYS HB2 . 16737 1 267 . 1 1 24 24 LYS HB3 H 1 1.84 0.038 . 1 . . . . 24 LYS HB3 . 16737 1 268 . 1 1 24 24 LYS HD2 H 1 1.74 0.000 . 1 . . . . 24 LYS HD2 . 16737 1 269 . 1 1 24 24 LYS HD3 H 1 1.74 0.000 . 1 . . . . 24 LYS HD3 . 16737 1 270 . 1 1 24 24 LYS HE2 H 1 3.02 0.007 . 1 . . . . 24 LYS HE2 . 16737 1 271 . 1 1 24 24 LYS HE3 H 1 3.02 0.007 . 1 . . . . 24 LYS HE3 . 16737 1 272 . 1 1 24 24 LYS HG2 H 1 1.51 0.006 . 1 . . . . 24 LYS HG2 . 16737 1 273 . 1 1 24 24 LYS HG3 H 1 1.51 0.006 . 1 . . . . 24 LYS HG3 . 16737 1 274 . 1 1 24 24 LYS C C 13 177.19 0.010 . 1 . . . . 24 LYS C . 16737 1 275 . 1 1 24 24 LYS CA C 13 57.61 0.075 . 1 . . . . 24 LYS CA . 16737 1 276 . 1 1 24 24 LYS CB C 13 33.54 0.121 . 1 . . . . 24 LYS CB . 16737 1 277 . 1 1 24 24 LYS N N 15 121.80 0.036 . 1 . . . . 24 LYS N . 16737 1 278 . 1 1 25 25 GLY H H 1 8.47 0.009 . 1 . . . . 25 GLY H . 16737 1 279 . 1 1 25 25 GLY HA2 H 1 4.12 0.000 . 2 . . . . 25 GLY HA2 . 16737 1 280 . 1 1 25 25 GLY HA3 H 1 3.99 0.000 . 2 . . . . 25 GLY HA3 . 16737 1 281 . 1 1 25 25 GLY C C 13 172.92 0.018 . 1 . . . . 25 GLY C . 16737 1 282 . 1 1 25 25 GLY CA C 13 44.84 0.018 . 1 . . . . 25 GLY CA . 16737 1 283 . 1 1 25 25 GLY N N 15 109.17 0.089 . 1 . . . . 25 GLY N . 16737 1 284 . 1 1 26 26 ASN H H 1 8.35 0.010 . 1 . . . . 26 ASN H . 16737 1 285 . 1 1 26 26 ASN HA H 1 4.67 0.000 . 1 . . . . 26 ASN HA . 16737 1 286 . 1 1 26 26 ASN HB2 H 1 3.10 0.000 . 2 . . . . 26 ASN HB2 . 16737 1 287 . 1 1 26 26 ASN HB3 H 1 2.91 0.000 . 2 . . . . 26 ASN HB3 . 16737 1 288 . 1 1 26 26 ASN HD21 H 1 8.15 0.000 . 1 . . . . 26 ASN HD21 . 16737 1 289 . 1 1 26 26 ASN HD22 H 1 6.84 0.000 . 1 . . . . 26 ASN HD22 . 16737 1 290 . 1 1 26 26 ASN C C 13 175.97 0.012 . 1 . . . . 26 ASN C . 16737 1 291 . 1 1 26 26 ASN CA C 13 51.05 0.000 . 1 . . . . 26 ASN CA . 16737 1 292 . 1 1 26 26 ASN CB C 13 40.33 0.000 . 1 . . . . 26 ASN CB . 16737 1 293 . 1 1 26 26 ASN N N 15 119.32 0.097 . 1 . . . . 26 ASN N . 16737 1 294 . 1 1 26 26 ASN ND2 N 15 113.53 0.001 . 1 . . . . 26 ASN ND2 . 16737 1 295 . 1 1 27 27 LYS H H 1 8.18 0.011 . 1 . . . . 27 LYS H . 16737 1 296 . 1 1 27 27 LYS HA H 1 3.93 0.024 . 1 . . . . 27 LYS HA . 16737 1 297 . 1 1 27 27 LYS HB2 H 1 1.86 0.000 . 1 . . . . 27 LYS HB2 . 16737 1 298 . 1 1 27 27 LYS HB3 H 1 1.86 0.000 . 1 . . . . 27 LYS HB3 . 16737 1 299 . 1 1 27 27 LYS HD2 H 1 1.60 0.000 . 1 . . . . 27 LYS HD2 . 16737 1 300 . 1 1 27 27 LYS HD3 H 1 1.60 0.000 . 1 . . . . 27 LYS HD3 . 16737 1 301 . 1 1 27 27 LYS HE2 H 1 2.62 0.000 . 1 . . . . 27 LYS HE2 . 16737 1 302 . 1 1 27 27 LYS HE3 H 1 2.62 0.000 . 1 . . . . 27 LYS HE3 . 16737 1 303 . 1 1 27 27 LYS HG2 H 1 0.99 0.000 . 1 . . . . 27 LYS HG2 . 16737 1 304 . 1 1 27 27 LYS HG3 H 1 0.99 0.000 . 1 . . . . 27 LYS HG3 . 16737 1 305 . 1 1 27 27 LYS C C 13 175.52 0.000 . 1 . . . . 27 LYS C . 16737 1 306 . 1 1 27 27 LYS CA C 13 60.56 0.107 . 1 . . . . 27 LYS CA . 16737 1 307 . 1 1 27 27 LYS CB C 13 32.78 0.035 . 1 . . . . 27 LYS CB . 16737 1 308 . 1 1 27 27 LYS N N 15 123.16 0.000 . 1 . . . . 27 LYS N . 16737 1 309 . 1 1 28 28 ALA H H 1 8.26 0.000 . 1 . . . . 28 ALA H . 16737 1 310 . 1 1 28 28 ALA HA H 1 4.36 0.020 . 1 . . . . 28 ALA HA . 16737 1 311 . 1 1 28 28 ALA HB1 H 1 1.36 0.046 . 1 . . . . 28 ALA HB1 . 16737 1 312 . 1 1 28 28 ALA HB2 H 1 1.36 0.046 . 1 . . . . 28 ALA HB2 . 16737 1 313 . 1 1 28 28 ALA HB3 H 1 1.36 0.046 . 1 . . . . 28 ALA HB3 . 16737 1 314 . 1 1 28 28 ALA C C 13 177.31 0.016 . 1 . . . . 28 ALA C . 16737 1 315 . 1 1 28 28 ALA CA C 13 52.64 0.043 . 1 . . . . 28 ALA CA . 16737 1 316 . 1 1 28 28 ALA CB C 13 19.51 0.043 . 1 . . . . 28 ALA CB . 16737 1 317 . 1 1 28 28 ALA N N 15 125.40 0.000 . 1 . . . . 28 ALA N . 16737 1 318 . 1 1 29 29 GLU H H 1 8.34 0.005 . 1 . . . . 29 GLU H . 16737 1 319 . 1 1 29 29 GLU HA H 1 4.31 0.006 . 1 . . . . 29 GLU HA . 16737 1 320 . 1 1 29 29 GLU HB2 H 1 2.03 0.000 . 2 . . . . 29 GLU HB2 . 16737 1 321 . 1 1 29 29 GLU HB3 H 1 1.95 0.000 . 2 . . . . 29 GLU HB3 . 16737 1 322 . 1 1 29 29 GLU HG2 H 1 2.24 0.000 . 1 . . . . 29 GLU HG2 . 16737 1 323 . 1 1 29 29 GLU HG3 H 1 2.24 0.000 . 1 . . . . 29 GLU HG3 . 16737 1 324 . 1 1 29 29 GLU C C 13 176.10 0.020 . 1 . . . . 29 GLU C . 16737 1 325 . 1 1 29 29 GLU CA C 13 56.78 0.048 . 1 . . . . 29 GLU CA . 16737 1 326 . 1 1 29 29 GLU CB C 13 30.44 0.025 . 1 . . . . 29 GLU CB . 16737 1 327 . 1 1 29 29 GLU CG C 13 33.75 0.012 . 1 . . . . 29 GLU CG . 16737 1 328 . 1 1 29 29 GLU N N 15 120.66 0.018 . 1 . . . . 29 GLU N . 16737 1 329 . 1 1 30 30 VAL H H 1 7.96 0.003 . 1 . . . . 30 VAL H . 16737 1 330 . 1 1 30 30 VAL HA H 1 4.15 0.012 . 1 . . . . 30 VAL HA . 16737 1 331 . 1 1 30 30 VAL HB H 1 2.04 0.009 . 1 . . . . 30 VAL HB . 16737 1 332 . 1 1 30 30 VAL HG11 H 1 0.88 0.000 . 1 . . . . 30 VAL HG11 . 16737 1 333 . 1 1 30 30 VAL HG12 H 1 0.88 0.000 . 1 . . . . 30 VAL HG12 . 16737 1 334 . 1 1 30 30 VAL HG13 H 1 0.88 0.000 . 1 . . . . 30 VAL HG13 . 16737 1 335 . 1 1 30 30 VAL HG21 H 1 0.88 0.000 . 1 . . . . 30 VAL HG21 . 16737 1 336 . 1 1 30 30 VAL HG22 H 1 0.88 0.000 . 1 . . . . 30 VAL HG22 . 16737 1 337 . 1 1 30 30 VAL HG23 H 1 0.88 0.000 . 1 . . . . 30 VAL HG23 . 16737 1 338 . 1 1 30 30 VAL C C 13 175.22 0.024 . 1 . . . . 30 VAL C . 16737 1 339 . 1 1 30 30 VAL CA C 13 62.23 0.086 . 1 . . . . 30 VAL CA . 16737 1 340 . 1 1 30 30 VAL CB C 13 33.07 0.060 . 1 . . . . 30 VAL CB . 16737 1 341 . 1 1 30 30 VAL N N 15 120.67 0.036 . 1 . . . . 30 VAL N . 16737 1 342 . 1 1 31 31 ALA H H 1 8.24 0.004 . 1 . . . . 31 ALA H . 16737 1 343 . 1 1 31 31 ALA HA H 1 4.41 0.007 . 1 . . . . 31 ALA HA . 16737 1 344 . 1 1 31 31 ALA HB1 H 1 1.33 0.017 . 1 . . . . 31 ALA HB1 . 16737 1 345 . 1 1 31 31 ALA HB2 H 1 1.33 0.017 . 1 . . . . 31 ALA HB2 . 16737 1 346 . 1 1 31 31 ALA HB3 H 1 1.33 0.017 . 1 . . . . 31 ALA HB3 . 16737 1 347 . 1 1 31 31 ALA C C 13 176.98 0.015 . 1 . . . . 31 ALA C . 16737 1 348 . 1 1 31 31 ALA CA C 13 52.49 0.043 . 1 . . . . 31 ALA CA . 16737 1 349 . 1 1 31 31 ALA CB C 13 19.52 0.028 . 1 . . . . 31 ALA CB . 16737 1 350 . 1 1 31 31 ALA N N 15 127.55 0.017 . 1 . . . . 31 ALA N . 16737 1 351 . 1 1 32 32 ILE H H 1 7.94 0.004 . 1 . . . . 32 ILE H . 16737 1 352 . 1 1 32 32 ILE HA H 1 4.11 0.018 . 1 . . . . 32 ILE HA . 16737 1 353 . 1 1 32 32 ILE HB H 1 1.71 0.006 . 1 . . . . 32 ILE HB . 16737 1 354 . 1 1 32 32 ILE HD11 H 1 0.67 0.000 . 1 . . . . 32 ILE HD11 . 16737 1 355 . 1 1 32 32 ILE HD12 H 1 0.67 0.000 . 1 . . . . 32 ILE HD12 . 16737 1 356 . 1 1 32 32 ILE HD13 H 1 0.67 0.000 . 1 . . . . 32 ILE HD13 . 16737 1 357 . 1 1 32 32 ILE HG12 H 1 1.36 0.014 . 2 . . . . 32 ILE HG12 . 16737 1 358 . 1 1 32 32 ILE HG13 H 1 1.06 0.000 . 2 . . . . 32 ILE HG13 . 16737 1 359 . 1 1 32 32 ILE HG21 H 1 0.72 0.000 . 1 . . . . 32 ILE HG21 . 16737 1 360 . 1 1 32 32 ILE HG22 H 1 0.72 0.000 . 1 . . . . 32 ILE HG22 . 16737 1 361 . 1 1 32 32 ILE HG23 H 1 0.72 0.000 . 1 . . . . 32 ILE HG23 . 16737 1 362 . 1 1 32 32 ILE C C 13 175.44 0.018 . 1 . . . . 32 ILE C . 16737 1 363 . 1 1 32 32 ILE CA C 13 61.13 0.070 . 1 . . . . 32 ILE CA . 16737 1 364 . 1 1 32 32 ILE CB C 13 39.05 0.052 . 1 . . . . 32 ILE CB . 16737 1 365 . 1 1 32 32 ILE CD1 C 13 14.71 0.043 . 1 . . . . 32 ILE CD1 . 16737 1 366 . 1 1 32 32 ILE CG1 C 13 25.11 0.006 . 1 . . . . 32 ILE CG1 . 16737 1 367 . 1 1 32 32 ILE CG2 C 13 14.74 0.023 . 1 . . . . 32 ILE CG2 . 16737 1 368 . 1 1 32 32 ILE N N 15 120.66 0.029 . 1 . . . . 32 ILE N . 16737 1 369 . 1 1 33 33 ARG H H 1 8.17 0.005 . 1 . . . . 33 ARG H . 16737 1 370 . 1 1 33 33 ARG HA H 1 4.36 0.005 . 1 . . . . 33 ARG HA . 16737 1 371 . 1 1 33 33 ARG HB2 H 1 1.69 0.000 . 2 . . . . 33 ARG HB2 . 16737 1 372 . 1 1 33 33 ARG HB3 H 1 1.62 0.000 . 2 . . . . 33 ARG HB3 . 16737 1 373 . 1 1 33 33 ARG HD2 H 1 3.07 0.000 . 1 . . . . 33 ARG HD2 . 16737 1 374 . 1 1 33 33 ARG HD3 H 1 3.07 0.000 . 1 . . . . 33 ARG HD3 . 16737 1 375 . 1 1 33 33 ARG HG2 H 1 1.49 0.003 . 2 . . . . 33 ARG HG2 . 16737 1 376 . 1 1 33 33 ARG HG3 H 1 1.41 0.000 . 2 . . . . 33 ARG HG3 . 16737 1 377 . 1 1 33 33 ARG C C 13 175.42 0.023 . 1 . . . . 33 ARG C . 16737 1 378 . 1 1 33 33 ARG CA C 13 55.64 0.027 . 1 . . . . 33 ARG CA . 16737 1 379 . 1 1 33 33 ARG CB C 13 31.51 0.060 . 1 . . . . 33 ARG CB . 16737 1 380 . 1 1 33 33 ARG CD C 13 40.48 0.000 . 1 . . . . 33 ARG CD . 16737 1 381 . 1 1 33 33 ARG CG C 13 24.38 0.038 . 1 . . . . 33 ARG CG . 16737 1 382 . 1 1 33 33 ARG N N 15 125.00 0.021 . 1 . . . . 33 ARG N . 16737 1 383 . 1 1 34 34 TYR H H 1 8.30 0.007 . 1 . . . . 34 TYR H . 16737 1 384 . 1 1 34 34 TYR HA H 1 4.62 0.004 . 1 . . . . 34 TYR HA . 16737 1 385 . 1 1 34 34 TYR HB2 H 1 2.99 0.014 . 1 . . . . 34 TYR HB2 . 16737 1 386 . 1 1 34 34 TYR HB3 H 1 2.99 0.014 . 1 . . . . 34 TYR HB3 . 16737 1 387 . 1 1 34 34 TYR HD1 H 1 7.02 0.000 . 3 . . . . 34 TYR HD1 . 16737 1 388 . 1 1 34 34 TYR HD2 H 1 7.02 0.000 . 3 . . . . 34 TYR HD2 . 16737 1 389 . 1 1 34 34 TYR HE1 H 1 6.92 0.000 . 3 . . . . 34 TYR HE1 . 16737 1 390 . 1 1 34 34 TYR HE2 H 1 6.92 0.000 . 3 . . . . 34 TYR HE2 . 16737 1 391 . 1 1 34 34 TYR C C 13 174.95 0.021 . 1 . . . . 34 TYR C . 16737 1 392 . 1 1 34 34 TYR CA C 13 57.85 0.070 . 1 . . . . 34 TYR CA . 16737 1 393 . 1 1 34 34 TYR CB C 13 39.05 0.052 . 1 . . . . 34 TYR CB . 16737 1 394 . 1 1 34 34 TYR CD1 C 13 130.61 0.000 . 3 . . . . 34 TYR CD1 . 16737 1 395 . 1 1 34 34 TYR CD2 C 13 130.61 0.000 . 3 . . . . 34 TYR CD2 . 16737 1 396 . 1 1 34 34 TYR CE1 C 13 115.45 0.000 . 3 . . . . 34 TYR CE1 . 16737 1 397 . 1 1 34 34 TYR CE2 C 13 115.45 0.000 . 3 . . . . 34 TYR CE2 . 16737 1 398 . 1 1 34 34 TYR N N 15 122.53 0.080 . 1 . . . . 34 TYR N . 16737 1 399 . 1 1 35 35 ASP H H 1 8.23 0.005 . 1 . . . . 35 ASP H . 16737 1 400 . 1 1 35 35 ASP HA H 1 4.65 0.025 . 1 . . . . 35 ASP HA . 16737 1 401 . 1 1 35 35 ASP HB2 H 1 2.66 0.015 . 1 . . . . 35 ASP HB2 . 16737 1 402 . 1 1 35 35 ASP HB3 H 1 2.66 0.015 . 1 . . . . 35 ASP HB3 . 16737 1 403 . 1 1 35 35 ASP C C 13 176.12 0.015 . 1 . . . . 35 ASP C . 16737 1 404 . 1 1 35 35 ASP CA C 13 53.83 0.057 . 1 . . . . 35 ASP CA . 16737 1 405 . 1 1 35 35 ASP CB C 13 41.66 0.051 . 1 . . . . 35 ASP CB . 16737 1 406 . 1 1 35 35 ASP N N 15 123.91 0.027 . 1 . . . . 35 ASP N . 16737 1 407 . 1 1 36 36 GLY H H 1 7.81 0.008 . 1 . . . . 36 GLY H . 16737 1 408 . 1 1 36 36 GLY HA2 H 1 4.02 0.000 . 2 . . . . 36 GLY HA2 . 16737 1 409 . 1 1 36 36 GLY HA3 H 1 3.94 0.000 . 2 . . . . 36 GLY HA3 . 16737 1 410 . 1 1 36 36 GLY C C 13 173.74 0.016 . 1 . . . . 36 GLY C . 16737 1 411 . 1 1 36 36 GLY CA C 13 45.63 0.017 . 1 . . . . 36 GLY CA . 16737 1 412 . 1 1 36 36 GLY N N 15 109.71 0.023 . 1 . . . . 36 GLY N . 16737 1 413 . 1 1 37 37 LYS H H 1 8.13 0.005 . 1 . . . . 37 LYS H . 16737 1 414 . 1 1 37 37 LYS HA H 1 4.30 0.015 . 1 . . . . 37 LYS HA . 16737 1 415 . 1 1 37 37 LYS HB2 H 1 1.62 0.014 . 1 . . . . 37 LYS HB2 . 16737 1 416 . 1 1 37 37 LYS HB3 H 1 1.62 0.014 . 1 . . . . 37 LYS HB3 . 16737 1 417 . 1 1 37 37 LYS HD2 H 1 1.57 0.000 . 1 . . . . 37 LYS HD2 . 16737 1 418 . 1 1 37 37 LYS HD3 H 1 1.57 0.000 . 1 . . . . 37 LYS HD3 . 16737 1 419 . 1 1 37 37 LYS HE2 H 1 2.92 0.018 . 1 . . . . 37 LYS HE2 . 16737 1 420 . 1 1 37 37 LYS HE3 H 1 2.92 0.018 . 1 . . . . 37 LYS HE3 . 16737 1 421 . 1 1 37 37 LYS HG2 H 1 1.19 0.000 . 1 . . . . 37 LYS HG2 . 16737 1 422 . 1 1 37 37 LYS HG3 H 1 1.19 0.000 . 1 . . . . 37 LYS HG3 . 16737 1 423 . 1 1 37 37 LYS C C 13 175.87 0.000 . 1 . . . . 37 LYS C . 16737 1 424 . 1 1 37 37 LYS CA C 13 56.47 0.141 . 1 . . . . 37 LYS CA . 16737 1 425 . 1 1 37 37 LYS CB C 13 33.21 0.080 . 1 . . . . 37 LYS CB . 16737 1 426 . 1 1 37 37 LYS CE C 13 39.26 0.000 . 1 . . . . 37 LYS CE . 16737 1 427 . 1 1 37 37 LYS N N 15 121.12 0.079 . 1 . . . . 37 LYS N . 16737 1 428 . 1 1 38 38 PHE H H 1 8.14 0.011 . 1 . . . . 38 PHE H . 16737 1 429 . 1 1 38 38 PHE HA H 1 4.68 0.000 . 1 . . . . 38 PHE HA . 16737 1 430 . 1 1 38 38 PHE HB2 H 1 2.76 0.000 . 1 . . . . 38 PHE HB2 . 16737 1 431 . 1 1 38 38 PHE HB3 H 1 2.76 0.000 . 1 . . . . 38 PHE HB3 . 16737 1 432 . 1 1 38 38 PHE HD1 H 1 6.96 0.014 . 3 . . . . 38 PHE HD1 . 16737 1 433 . 1 1 38 38 PHE HD2 H 1 6.96 0.014 . 3 . . . . 38 PHE HD2 . 16737 1 434 . 1 1 38 38 PHE HE1 H 1 7.25 0.004 . 3 . . . . 38 PHE HE1 . 16737 1 435 . 1 1 38 38 PHE HE2 H 1 7.25 0.004 . 3 . . . . 38 PHE HE2 . 16737 1 436 . 1 1 38 38 PHE C C 13 174.84 0.000 . 1 . . . . 38 PHE C . 16737 1 437 . 1 1 38 38 PHE CA C 13 57.47 0.092 . 1 . . . . 38 PHE CA . 16737 1 438 . 1 1 38 38 PHE CB C 13 39.75 0.080 . 1 . . . . 38 PHE CB . 16737 1 439 . 1 1 38 38 PHE CD1 C 13 130.30 0.000 . 3 . . . . 38 PHE CD1 . 16737 1 440 . 1 1 38 38 PHE CD2 C 13 130.30 0.000 . 3 . . . . 38 PHE CD2 . 16737 1 441 . 1 1 38 38 PHE CE1 C 13 129.00 0.000 . 3 . . . . 38 PHE CE1 . 16737 1 442 . 1 1 38 38 PHE CE2 C 13 129.00 0.000 . 3 . . . . 38 PHE CE2 . 16737 1 443 . 1 1 38 38 PHE N N 15 120.88 0.069 . 1 . . . . 38 PHE N . 16737 1 444 . 1 1 39 39 LYS H H 1 8.04 0.010 . 1 . . . . 39 LYS H . 16737 1 445 . 1 1 39 39 LYS HA H 1 4.33 0.021 . 1 . . . . 39 LYS HA . 16737 1 446 . 1 1 39 39 LYS HB2 H 1 1.61 0.003 . 1 . . . . 39 LYS HB2 . 16737 1 447 . 1 1 39 39 LYS HB3 H 1 1.61 0.003 . 1 . . . . 39 LYS HB3 . 16737 1 448 . 1 1 39 39 LYS HD2 H 1 1.57 0.000 . 1 . . . . 39 LYS HD2 . 16737 1 449 . 1 1 39 39 LYS HD3 H 1 1.57 0.000 . 1 . . . . 39 LYS HD3 . 16737 1 450 . 1 1 39 39 LYS HE2 H 1 2.90 0.000 . 1 . . . . 39 LYS HE2 . 16737 1 451 . 1 1 39 39 LYS HE3 H 1 2.90 0.000 . 1 . . . . 39 LYS HE3 . 16737 1 452 . 1 1 39 39 LYS HG2 H 1 1.20 0.000 . 1 . . . . 39 LYS HG2 . 16737 1 453 . 1 1 39 39 LYS HG3 H 1 1.20 0.000 . 1 . . . . 39 LYS HG3 . 16737 1 454 . 1 1 39 39 LYS C C 13 175.24 0.000 . 1 . . . . 39 LYS C . 16737 1 455 . 1 1 39 39 LYS CA C 13 55.94 0.091 . 1 . . . . 39 LYS CA . 16737 1 456 . 1 1 39 39 LYS CB C 13 33.55 0.070 . 1 . . . . 39 LYS CB . 16737 1 457 . 1 1 39 39 LYS N N 15 123.67 0.096 . 1 . . . . 39 LYS N . 16737 1 458 . 1 1 40 40 TYR H H 1 8.19 0.015 . 1 . . . . 40 TYR H . 16737 1 459 . 1 1 40 40 TYR HA H 1 4.61 0.000 . 1 . . . . 40 TYR HA . 16737 1 460 . 1 1 40 40 TYR HB2 H 1 3.08 0.002 . 2 . . . . 40 TYR HB2 . 16737 1 461 . 1 1 40 40 TYR HB3 H 1 2.88 0.000 . 2 . . . . 40 TYR HB3 . 16737 1 462 . 1 1 40 40 TYR HD1 H 1 7.05 0.002 . 3 . . . . 40 TYR HD1 . 16737 1 463 . 1 1 40 40 TYR HD2 H 1 7.05 0.002 . 3 . . . . 40 TYR HD2 . 16737 1 464 . 1 1 40 40 TYR HE1 H 1 6.95 0.006 . 3 . . . . 40 TYR HE1 . 16737 1 465 . 1 1 40 40 TYR HE2 H 1 6.95 0.006 . 3 . . . . 40 TYR HE2 . 16737 1 466 . 1 1 40 40 TYR C C 13 174.94 0.026 . 1 . . . . 40 TYR C . 16737 1 467 . 1 1 40 40 TYR CA C 13 57.80 0.053 . 1 . . . . 40 TYR CA . 16737 1 468 . 1 1 40 40 TYR CB C 13 38.99 0.031 . 1 . . . . 40 TYR CB . 16737 1 469 . 1 1 40 40 TYR CD1 C 13 130.65 0.000 . 3 . . . . 40 TYR CD1 . 16737 1 470 . 1 1 40 40 TYR CD2 C 13 130.65 0.000 . 3 . . . . 40 TYR CD2 . 16737 1 471 . 1 1 40 40 TYR CE1 C 13 115.45 0.000 . 3 . . . . 40 TYR CE1 . 16737 1 472 . 1 1 40 40 TYR CE2 C 13 115.45 0.000 . 3 . . . . 40 TYR CE2 . 16737 1 473 . 1 1 40 40 TYR N N 15 122.69 0.089 . 1 . . . . 40 TYR N . 16737 1 474 . 1 1 41 41 ASP H H 1 8.25 0.004 . 1 . . . . 41 ASP H . 16737 1 475 . 1 1 41 41 ASP HA H 1 4.66 0.000 . 1 . . . . 41 ASP HA . 16737 1 476 . 1 1 41 41 ASP HB2 H 1 2.69 0.000 . 1 . . . . 41 ASP HB2 . 16737 1 477 . 1 1 41 41 ASP HB3 H 1 2.69 0.000 . 1 . . . . 41 ASP HB3 . 16737 1 478 . 1 1 41 41 ASP C C 13 176.15 0.011 . 1 . . . . 41 ASP C . 16737 1 479 . 1 1 41 41 ASP CA C 13 54.00 0.063 . 1 . . . . 41 ASP CA . 16737 1 480 . 1 1 41 41 ASP CB C 13 41.60 0.063 . 1 . . . . 41 ASP CB . 16737 1 481 . 1 1 41 41 ASP N N 15 123.05 0.035 . 1 . . . . 41 ASP N . 16737 1 482 . 1 1 42 42 GLY H H 1 7.96 0.008 . 1 . . . . 42 GLY H . 16737 1 483 . 1 1 42 42 GLY HA2 H 1 3.99 0.000 . 2 . . . . 42 GLY HA2 . 16737 1 484 . 1 1 42 42 GLY HA3 H 1 3.92 0.000 . 2 . . . . 42 GLY HA3 . 16737 1 485 . 1 1 42 42 GLY C C 13 173.79 0.000 . 1 . . . . 42 GLY C . 16737 1 486 . 1 1 42 42 GLY CA C 13 45.69 0.042 . 1 . . . . 42 GLY CA . 16737 1 487 . 1 1 42 42 GLY N N 15 109.52 0.025 . 1 . . . . 42 GLY N . 16737 1 488 . 1 1 43 43 LYS H H 1 8.07 0.018 . 1 . . . . 43 LYS H . 16737 1 489 . 1 1 43 43 LYS HA H 1 4.36 0.008 . 1 . . . . 43 LYS HA . 16737 1 490 . 1 1 43 43 LYS HB2 H 1 1.81 0.001 . 1 . . . . 43 LYS HB2 . 16737 1 491 . 1 1 43 43 LYS HB3 H 1 1.81 0.001 . 1 . . . . 43 LYS HB3 . 16737 1 492 . 1 1 43 43 LYS HD2 H 1 1.74 0.000 . 1 . . . . 43 LYS HD2 . 16737 1 493 . 1 1 43 43 LYS HD3 H 1 1.74 0.000 . 1 . . . . 43 LYS HD3 . 16737 1 494 . 1 1 43 43 LYS HE2 H 1 2.95 0.000 . 1 . . . . 43 LYS HE2 . 16737 1 495 . 1 1 43 43 LYS HE3 H 1 2.95 0.000 . 1 . . . . 43 LYS HE3 . 16737 1 496 . 1 1 43 43 LYS HG2 H 1 1.39 0.000 . 1 . . . . 43 LYS HG2 . 16737 1 497 . 1 1 43 43 LYS HG3 H 1 1.39 0.000 . 1 . . . . 43 LYS HG3 . 16737 1 498 . 1 1 43 43 LYS C C 13 175.88 0.017 . 1 . . . . 43 LYS C . 16737 1 499 . 1 1 43 43 LYS CA C 13 56.60 0.072 . 1 . . . . 43 LYS CA . 16737 1 500 . 1 1 43 43 LYS CB C 13 33.18 0.034 . 1 . . . . 43 LYS CB . 16737 1 501 . 1 1 43 43 LYS N N 15 121.14 0.018 . 1 . . . . 43 LYS N . 16737 1 502 . 1 1 44 44 ALA H H 1 8.30 0.005 . 1 . . . . 44 ALA H . 16737 1 503 . 1 1 44 44 ALA HA H 1 4.42 0.000 . 1 . . . . 44 ALA HA . 16737 1 504 . 1 1 44 44 ALA HB1 H 1 1.38 0.000 . 1 . . . . 44 ALA HB1 . 16737 1 505 . 1 1 44 44 ALA HB2 H 1 1.38 0.000 . 1 . . . . 44 ALA HB2 . 16737 1 506 . 1 1 44 44 ALA HB3 H 1 1.38 0.000 . 1 . . . . 44 ALA HB3 . 16737 1 507 . 1 1 44 44 ALA C C 13 177.34 0.033 . 1 . . . . 44 ALA C . 16737 1 508 . 1 1 44 44 ALA CA C 13 52.58 0.089 . 1 . . . . 44 ALA CA . 16737 1 509 . 1 1 44 44 ALA CB C 13 19.53 0.023 . 1 . . . . 44 ALA CB . 16737 1 510 . 1 1 44 44 ALA N N 15 125.46 0.036 . 1 . . . . 44 ALA N . 16737 1 511 . 1 1 45 45 THR H H 1 8.08 0.011 . 1 . . . . 45 THR H . 16737 1 512 . 1 1 45 45 THR HA H 1 5.16 0.009 . 1 . . . . 45 THR HA . 16737 1 513 . 1 1 45 45 THR HB H 1 3.87 0.007 . 1 . . . . 45 THR HB . 16737 1 514 . 1 1 45 45 THR HG21 H 1 1.05 0.010 . 1 . . . . 45 THR HG21 . 16737 1 515 . 1 1 45 45 THR HG22 H 1 1.05 0.010 . 1 . . . . 45 THR HG22 . 16737 1 516 . 1 1 45 45 THR HG23 H 1 1.05 0.010 . 1 . . . . 45 THR HG23 . 16737 1 517 . 1 1 45 45 THR C C 13 173.77 0.000 . 1 . . . . 45 THR C . 16737 1 518 . 1 1 45 45 THR CA C 13 61.82 0.075 . 1 . . . . 45 THR CA . 16737 1 519 . 1 1 45 45 THR CB C 13 69.86 0.094 . 1 . . . . 45 THR CB . 16737 1 520 . 1 1 45 45 THR CG2 C 13 20.28 0.011 . 1 . . . . 45 THR CG2 . 16737 1 521 . 1 1 45 45 THR N N 15 113.62 0.040 . 1 . . . . 45 THR N . 16737 1 522 . 1 1 46 46 HIS H H 1 8.19 0.007 . 1 . . . . 46 HIS H . 16737 1 523 . 1 1 46 46 HIS HA H 1 4.79 0.003 . 1 . . . . 46 HIS HA . 16737 1 524 . 1 1 46 46 HIS HB2 H 1 3.11 0.018 . 1 . . . . 46 HIS HB2 . 16737 1 525 . 1 1 46 46 HIS HB3 H 1 3.11 0.018 . 1 . . . . 46 HIS HB3 . 16737 1 526 . 1 1 46 46 HIS HD2 H 1 7.08 0.000 . 1 . . . . 46 HIS HD2 . 16737 1 527 . 1 1 46 46 HIS C C 13 174.94 0.002 . 1 . . . . 46 HIS C . 16737 1 528 . 1 1 46 46 HIS CA C 13 56.02 0.019 . 1 . . . . 46 HIS CA . 16737 1 529 . 1 1 46 46 HIS CB C 13 31.70 0.013 . 1 . . . . 46 HIS CB . 16737 1 530 . 1 1 46 46 HIS CD2 C 13 117.40 0.033 . 1 . . . . 46 HIS CD2 . 16737 1 531 . 1 1 46 46 HIS N N 15 122.16 0.105 . 1 . . . . 46 HIS N . 16737 1 532 . 1 1 47 47 GLY H H 1 8.22 0.008 . 1 . . . . 47 GLY H . 16737 1 533 . 1 1 47 47 GLY HA2 H 1 4.13 0.000 . 2 . . . . 47 GLY HA2 . 16737 1 534 . 1 1 47 47 GLY HA3 H 1 3.99 0.000 . 2 . . . . 47 GLY HA3 . 16737 1 535 . 1 1 47 47 GLY C C 13 171.41 0.000 . 1 . . . . 47 GLY C . 16737 1 536 . 1 1 47 47 GLY CA C 13 44.81 0.094 . 1 . . . . 47 GLY CA . 16737 1 537 . 1 1 47 47 GLY N N 15 110.86 0.032 . 1 . . . . 47 GLY N . 16737 1 538 . 1 1 48 48 PRO HA H 1 4.42 0.000 . 1 . . . . 48 PRO HA . 16737 1 539 . 1 1 48 48 PRO HB2 H 1 1.89 0.000 . 1 . . . . 48 PRO HB2 . 16737 1 540 . 1 1 48 48 PRO HB3 H 1 1.89 0.000 . 1 . . . . 48 PRO HB3 . 16737 1 541 . 1 1 48 48 PRO HD2 H 1 3.45 0.001 . 1 . . . . 48 PRO HD2 . 16737 1 542 . 1 1 48 48 PRO HD3 H 1 3.45 0.001 . 1 . . . . 48 PRO HD3 . 16737 1 543 . 1 1 48 48 PRO HG2 H 1 2.03 0.009 . 2 . . . . 48 PRO HG2 . 16737 1 544 . 1 1 48 48 PRO HG3 H 1 1.74 0.000 . 2 . . . . 48 PRO HG3 . 16737 1 545 . 1 1 48 48 PRO CD C 13 47.96 0.019 . 1 . . . . 48 PRO CD . 16737 1 546 . 1 1 49 49 SER HA H 1 4.51 0.008 . 1 . . . . 49 SER HA . 16737 1 547 . 1 1 49 49 SER HB2 H 1 3.85 0.004 . 1 . . . . 49 SER HB2 . 16737 1 548 . 1 1 49 49 SER HB3 H 1 3.85 0.004 . 1 . . . . 49 SER HB3 . 16737 1 549 . 1 1 49 49 SER C C 13 174.35 0.000 . 1 . . . . 49 SER C . 16737 1 550 . 1 1 49 49 SER CA C 13 58.42 0.047 . 1 . . . . 49 SER CA . 16737 1 551 . 1 1 49 49 SER CB C 13 63.93 0.033 . 1 . . . . 49 SER CB . 16737 1 552 . 1 1 50 50 VAL H H 1 8.03 0.003 . 1 . . . . 50 VAL H . 16737 1 553 . 1 1 50 50 VAL HA H 1 4.20 0.009 . 1 . . . . 50 VAL HA . 16737 1 554 . 1 1 50 50 VAL HB H 1 2.04 0.000 . 1 . . . . 50 VAL HB . 16737 1 555 . 1 1 50 50 VAL HG11 H 1 0.88 0.001 . 1 . . . . 50 VAL HG11 . 16737 1 556 . 1 1 50 50 VAL HG12 H 1 0.88 0.001 . 1 . . . . 50 VAL HG12 . 16737 1 557 . 1 1 50 50 VAL HG13 H 1 0.88 0.001 . 1 . . . . 50 VAL HG13 . 16737 1 558 . 1 1 50 50 VAL HG21 H 1 0.88 0.001 . 1 . . . . 50 VAL HG21 . 16737 1 559 . 1 1 50 50 VAL HG22 H 1 0.88 0.001 . 1 . . . . 50 VAL HG22 . 16737 1 560 . 1 1 50 50 VAL HG23 H 1 0.88 0.001 . 1 . . . . 50 VAL HG23 . 16737 1 561 . 1 1 50 50 VAL C C 13 175.78 0.039 . 1 . . . . 50 VAL C . 16737 1 562 . 1 1 50 50 VAL CA C 13 62.39 0.062 . 1 . . . . 50 VAL CA . 16737 1 563 . 1 1 50 50 VAL CB C 13 32.80 0.116 . 1 . . . . 50 VAL CB . 16737 1 564 . 1 1 50 50 VAL N N 15 122.39 0.014 . 1 . . . . 50 VAL N . 16737 1 565 . 1 1 51 51 LYS H H 1 8.30 0.007 . 1 . . . . 51 LYS H . 16737 1 566 . 1 1 51 51 LYS HA H 1 4.28 0.002 . 1 . . . . 51 LYS HA . 16737 1 567 . 1 1 51 51 LYS HB2 H 1 1.61 0.000 . 1 . . . . 51 LYS HB2 . 16737 1 568 . 1 1 51 51 LYS HB3 H 1 1.61 0.000 . 1 . . . . 51 LYS HB3 . 16737 1 569 . 1 1 51 51 LYS HD2 H 1 1.56 0.000 . 1 . . . . 51 LYS HD2 . 16737 1 570 . 1 1 51 51 LYS HD3 H 1 1.56 0.000 . 1 . . . . 51 LYS HD3 . 16737 1 571 . 1 1 51 51 LYS HE2 H 1 2.90 0.000 . 1 . . . . 51 LYS HE2 . 16737 1 572 . 1 1 51 51 LYS HE3 H 1 2.90 0.000 . 1 . . . . 51 LYS HE3 . 16737 1 573 . 1 1 51 51 LYS HG2 H 1 1.19 0.000 . 1 . . . . 51 LYS HG2 . 16737 1 574 . 1 1 51 51 LYS HG3 H 1 1.19 0.000 . 1 . . . . 51 LYS HG3 . 16737 1 575 . 1 1 51 51 LYS C C 13 174.65 0.056 . 1 . . . . 51 LYS C . 16737 1 576 . 1 1 51 51 LYS CA C 13 56.68 0.061 . 1 . . . . 51 LYS CA . 16737 1 577 . 1 1 51 51 LYS CB C 13 33.09 0.101 . 1 . . . . 51 LYS CB . 16737 1 578 . 1 1 51 51 LYS N N 15 124.64 0.052 . 1 . . . . 51 LYS N . 16737 1 579 . 1 1 52 52 ASN H H 1 8.15 0.012 . 1 . . . . 52 ASN H . 16737 1 580 . 1 1 52 52 ASN HA H 1 4.65 0.016 . 1 . . . . 52 ASN HA . 16737 1 581 . 1 1 52 52 ASN HB2 H 1 2.77 0.012 . 1 . . . . 52 ASN HB2 . 16737 1 582 . 1 1 52 52 ASN HB3 H 1 2.77 0.012 . 1 . . . . 52 ASN HB3 . 16737 1 583 . 1 1 52 52 ASN HD21 H 1 7.63 0.000 . 1 . . . . 52 ASN HD21 . 16737 1 584 . 1 1 52 52 ASN HD22 H 1 6.93 0.000 . 1 . . . . 52 ASN HD22 . 16737 1 585 . 1 1 52 52 ASN C C 13 174.48 0.000 . 1 . . . . 52 ASN C . 16737 1 586 . 1 1 52 52 ASN CA C 13 53.33 0.116 . 1 . . . . 52 ASN CA . 16737 1 587 . 1 1 52 52 ASN CB C 13 38.97 0.000 . 1 . . . . 52 ASN CB . 16737 1 588 . 1 1 52 52 ASN N N 15 120.61 0.123 . 1 . . . . 52 ASN N . 16737 1 589 . 1 1 52 52 ASN ND2 N 15 112.47 0.008 . 1 . . . . 52 ASN ND2 . 16737 1 590 . 1 1 53 53 ALA H H 1 8.15 0.007 . 1 . . . . 53 ALA H . 16737 1 591 . 1 1 53 53 ALA HA H 1 4.35 0.007 . 1 . . . . 53 ALA HA . 16737 1 592 . 1 1 53 53 ALA HB1 H 1 1.36 0.025 . 1 . . . . 53 ALA HB1 . 16737 1 593 . 1 1 53 53 ALA HB2 H 1 1.36 0.025 . 1 . . . . 53 ALA HB2 . 16737 1 594 . 1 1 53 53 ALA HB3 H 1 1.36 0.025 . 1 . . . . 53 ALA HB3 . 16737 1 595 . 1 1 53 53 ALA C C 13 177.24 0.056 . 1 . . . . 53 ALA C . 16737 1 596 . 1 1 53 53 ALA CA C 13 53.03 0.089 . 1 . . . . 53 ALA CA . 16737 1 597 . 1 1 53 53 ALA CB C 13 19.48 0.070 . 1 . . . . 53 ALA CB . 16737 1 598 . 1 1 53 53 ALA N N 15 124.93 0.051 . 1 . . . . 53 ALA N . 16737 1 599 . 1 1 54 54 VAL H H 1 7.95 0.004 . 1 . . . . 54 VAL H . 16737 1 600 . 1 1 54 54 VAL HA H 1 3.99 0.002 . 1 . . . . 54 VAL HA . 16737 1 601 . 1 1 54 54 VAL HB H 1 1.91 0.002 . 1 . . . . 54 VAL HB . 16737 1 602 . 1 1 54 54 VAL HG11 H 1 0.80 0.006 . 2 . . . . 54 VAL HG11 . 16737 1 603 . 1 1 54 54 VAL HG12 H 1 0.80 0.006 . 2 . . . . 54 VAL HG12 . 16737 1 604 . 1 1 54 54 VAL HG13 H 1 0.80 0.006 . 2 . . . . 54 VAL HG13 . 16737 1 605 . 1 1 54 54 VAL HG21 H 1 0.73 0.002 . 2 . . . . 54 VAL HG21 . 16737 1 606 . 1 1 54 54 VAL HG22 H 1 0.73 0.002 . 2 . . . . 54 VAL HG22 . 16737 1 607 . 1 1 54 54 VAL HG23 H 1 0.73 0.002 . 2 . . . . 54 VAL HG23 . 16737 1 608 . 1 1 54 54 VAL C C 13 175.76 0.015 . 1 . . . . 54 VAL C . 16737 1 609 . 1 1 54 54 VAL CA C 13 62.95 0.067 . 1 . . . . 54 VAL CA . 16737 1 610 . 1 1 54 54 VAL CB C 13 32.76 0.069 . 1 . . . . 54 VAL CB . 16737 1 611 . 1 1 54 54 VAL CG1 C 13 18.11 0.002 . 2 . . . . 54 VAL CG1 . 16737 1 612 . 1 1 54 54 VAL CG2 C 13 18.35 0.034 . 2 . . . . 54 VAL CG2 . 16737 1 613 . 1 1 54 54 VAL N N 15 119.41 0.013 . 1 . . . . 54 VAL N . 16737 1 614 . 1 1 55 55 TYR H H 1 8.01 0.006 . 1 . . . . 55 TYR H . 16737 1 615 . 1 1 55 55 TYR HA H 1 4.62 0.006 . 1 . . . . 55 TYR HA . 16737 1 616 . 1 1 55 55 TYR HB2 H 1 2.85 0.013 . 1 . . . . 55 TYR HB2 . 16737 1 617 . 1 1 55 55 TYR HB3 H 1 2.85 0.013 . 1 . . . . 55 TYR HB3 . 16737 1 618 . 1 1 55 55 TYR HD1 H 1 7.03 0.014 . 3 . . . . 55 TYR HD1 . 16737 1 619 . 1 1 55 55 TYR HD2 H 1 7.03 0.014 . 3 . . . . 55 TYR HD2 . 16737 1 620 . 1 1 55 55 TYR HE1 H 1 6.68 0.008 . 3 . . . . 55 TYR HE1 . 16737 1 621 . 1 1 55 55 TYR HE2 H 1 6.68 0.008 . 3 . . . . 55 TYR HE2 . 16737 1 622 . 1 1 55 55 TYR C C 13 175.52 0.000 . 1 . . . . 55 TYR C . 16737 1 623 . 1 1 55 55 TYR CA C 13 57.72 0.015 . 1 . . . . 55 TYR CA . 16737 1 624 . 1 1 55 55 TYR CB C 13 39.10 0.083 . 1 . . . . 55 TYR CB . 16737 1 625 . 1 1 55 55 TYR CD1 C 13 130.58 0.000 . 3 . . . . 55 TYR CD1 . 16737 1 626 . 1 1 55 55 TYR CD2 C 13 130.58 0.000 . 3 . . . . 55 TYR CD2 . 16737 1 627 . 1 1 55 55 TYR CE1 C 13 115.45 0.000 . 3 . . . . 55 TYR CE1 . 16737 1 628 . 1 1 55 55 TYR CE2 C 13 115.45 0.000 . 3 . . . . 55 TYR CE2 . 16737 1 629 . 1 1 55 55 TYR N N 15 123.14 0.028 . 1 . . . . 55 TYR N . 16737 1 630 . 1 1 56 56 ALA H H 1 8.17 0.011 . 1 . . . . 56 ALA H . 16737 1 631 . 1 1 56 56 ALA HA H 1 4.25 0.018 . 1 . . . . 56 ALA HA . 16737 1 632 . 1 1 56 56 ALA HB1 H 1 1.33 0.021 . 1 . . . . 56 ALA HB1 . 16737 1 633 . 1 1 56 56 ALA HB2 H 1 1.33 0.021 . 1 . . . . 56 ALA HB2 . 16737 1 634 . 1 1 56 56 ALA HB3 H 1 1.33 0.021 . 1 . . . . 56 ALA HB3 . 16737 1 635 . 1 1 56 56 ALA C C 13 177.19 0.014 . 1 . . . . 56 ALA C . 16737 1 636 . 1 1 56 56 ALA CA C 13 53.19 0.100 . 1 . . . . 56 ALA CA . 16737 1 637 . 1 1 56 56 ALA CB C 13 19.32 0.002 . 1 . . . . 56 ALA CB . 16737 1 638 . 1 1 56 56 ALA N N 15 124.94 0.097 . 1 . . . . 56 ALA N . 16737 1 639 . 1 1 57 57 HIS H H 1 8.01 0.009 . 1 . . . . 57 HIS H . 16737 1 640 . 1 1 57 57 HIS HA H 1 4.62 0.005 . 1 . . . . 57 HIS HA . 16737 1 641 . 1 1 57 57 HIS HB2 H 1 3.07 0.011 . 1 . . . . 57 HIS HB2 . 16737 1 642 . 1 1 57 57 HIS HB3 H 1 3.07 0.011 . 1 . . . . 57 HIS HB3 . 16737 1 643 . 1 1 57 57 HIS HD2 H 1 6.88 0.042 . 1 . . . . 57 HIS HD2 . 16737 1 644 . 1 1 57 57 HIS C C 13 175.39 0.015 . 1 . . . . 57 HIS C . 16737 1 645 . 1 1 57 57 HIS CA C 13 56.83 0.102 . 1 . . . . 57 HIS CA . 16737 1 646 . 1 1 57 57 HIS CB C 13 30.92 0.069 . 1 . . . . 57 HIS CB . 16737 1 647 . 1 1 57 57 HIS CD2 C 13 117.42 0.000 . 1 . . . . 57 HIS CD2 . 16737 1 648 . 1 1 57 57 HIS N N 15 118.16 0.031 . 1 . . . . 57 HIS N . 16737 1 649 . 1 1 58 58 GLN H H 1 8.13 0.008 . 1 . . . . 58 GLN H . 16737 1 650 . 1 1 58 58 GLN HA H 1 4.25 0.006 . 1 . . . . 58 GLN HA . 16737 1 651 . 1 1 58 58 GLN HB2 H 1 1.98 0.006 . 1 . . . . 58 GLN HB2 . 16737 1 652 . 1 1 58 58 GLN HB3 H 1 1.98 0.006 . 1 . . . . 58 GLN HB3 . 16737 1 653 . 1 1 58 58 GLN HE21 H 1 7.58 0.000 . 1 . . . . 58 GLN HE21 . 16737 1 654 . 1 1 58 58 GLN HE22 H 1 6.89 0.000 . 1 . . . . 58 GLN HE22 . 16737 1 655 . 1 1 58 58 GLN HG2 H 1 2.21 0.011 . 2 . . . . 58 GLN HG2 . 16737 1 656 . 1 1 58 58 GLN HG3 H 1 2.29 0.000 . 2 . . . . 58 GLN HG3 . 16737 1 657 . 1 1 58 58 GLN C C 13 175.84 0.000 . 1 . . . . 58 GLN C . 16737 1 658 . 1 1 58 58 GLN CA C 13 56.42 0.008 . 1 . . . . 58 GLN CA . 16737 1 659 . 1 1 58 58 GLN CB C 13 29.42 0.097 . 1 . . . . 58 GLN CB . 16737 1 660 . 1 1 58 58 GLN CG C 13 31.18 0.011 . 1 . . . . 58 GLN CG . 16737 1 661 . 1 1 58 58 GLN N N 15 121.45 0.011 . 1 . . . . 58 GLN N . 16737 1 662 . 1 1 58 58 GLN NE2 N 15 111.81 0.006 . 1 . . . . 58 GLN NE2 . 16737 1 663 . 1 1 59 59 ILE H H 1 8.04 0.006 . 1 . . . . 59 ILE H . 16737 1 664 . 1 1 59 59 ILE HA H 1 4.02 0.010 . 1 . . . . 59 ILE HA . 16737 1 665 . 1 1 59 59 ILE HB H 1 1.72 0.006 . 1 . . . . 59 ILE HB . 16737 1 666 . 1 1 59 59 ILE HD11 H 1 0.63 0.001 . 1 . . . . 59 ILE HD11 . 16737 1 667 . 1 1 59 59 ILE HD12 H 1 0.63 0.001 . 1 . . . . 59 ILE HD12 . 16737 1 668 . 1 1 59 59 ILE HD13 H 1 0.63 0.001 . 1 . . . . 59 ILE HD13 . 16737 1 669 . 1 1 59 59 ILE HG12 H 1 0.93 0.006 . 2 . . . . 59 ILE HG12 . 16737 1 670 . 1 1 59 59 ILE HG13 H 1 1.28 0.003 . 2 . . . . 59 ILE HG13 . 16737 1 671 . 1 1 59 59 ILE HG21 H 1 0.72 0.005 . 1 . . . . 59 ILE HG21 . 16737 1 672 . 1 1 59 59 ILE HG22 H 1 0.72 0.005 . 1 . . . . 59 ILE HG22 . 16737 1 673 . 1 1 59 59 ILE HG23 H 1 0.72 0.005 . 1 . . . . 59 ILE HG23 . 16737 1 674 . 1 1 59 59 ILE C C 13 176.28 0.021 . 1 . . . . 59 ILE C . 16737 1 675 . 1 1 59 59 ILE CA C 13 61.84 0.042 . 1 . . . . 59 ILE CA . 16737 1 676 . 1 1 59 59 ILE CB C 13 38.67 0.058 . 1 . . . . 59 ILE CB . 16737 1 677 . 1 1 59 59 ILE CD1 C 13 10.23 0.081 . 1 . . . . 59 ILE CD1 . 16737 1 678 . 1 1 59 59 ILE CG1 C 13 24.69 0.045 . 1 . . . . 59 ILE CG1 . 16737 1 679 . 1 1 59 59 ILE CG2 C 13 14.75 0.000 . 1 . . . . 59 ILE CG2 . 16737 1 680 . 1 1 59 59 ILE N N 15 121.75 0.047 . 1 . . . . 59 ILE N . 16737 1 681 . 1 1 60 60 GLU H H 1 8.39 0.003 . 1 . . . . 60 GLU H . 16737 1 682 . 1 1 60 60 GLU HA H 1 4.36 0.024 . 1 . . . . 60 GLU HA . 16737 1 683 . 1 1 60 60 GLU HB2 H 1 2.02 0.003 . 2 . . . . 60 GLU HB2 . 16737 1 684 . 1 1 60 60 GLU HB3 H 1 1.95 0.000 . 2 . . . . 60 GLU HB3 . 16737 1 685 . 1 1 60 60 GLU HG2 H 1 2.29 0.000 . 1 . . . . 60 GLU HG2 . 16737 1 686 . 1 1 60 60 GLU HG3 H 1 2.29 0.000 . 1 . . . . 60 GLU HG3 . 16737 1 687 . 1 1 60 60 GLU C C 13 176.48 0.000 . 1 . . . . 60 GLU C . 16737 1 688 . 1 1 60 60 GLU CA C 13 57.04 0.046 . 1 . . . . 60 GLU CA . 16737 1 689 . 1 1 60 60 GLU CB C 13 30.30 0.040 . 1 . . . . 60 GLU CB . 16737 1 690 . 1 1 60 60 GLU CG C 13 33.70 0.000 . 1 . . . . 60 GLU CG . 16737 1 691 . 1 1 60 60 GLU N N 15 123.99 0.033 . 1 . . . . 60 GLU N . 16737 1 692 . 1 1 61 61 THR H H 1 8.04 0.006 . 1 . . . . 61 THR H . 16737 1 693 . 1 1 61 61 THR HA H 1 4.33 0.003 . 1 . . . . 61 THR HA . 16737 1 694 . 1 1 61 61 THR HB H 1 4.14 0.004 . 1 . . . . 61 THR HB . 16737 1 695 . 1 1 61 61 THR HG21 H 1 1.11 0.000 . 1 . . . . 61 THR HG21 . 16737 1 696 . 1 1 61 61 THR HG22 H 1 1.11 0.000 . 1 . . . . 61 THR HG22 . 16737 1 697 . 1 1 61 61 THR HG23 H 1 1.11 0.000 . 1 . . . . 61 THR HG23 . 16737 1 698 . 1 1 61 61 THR C C 13 174.99 0.004 . 1 . . . . 61 THR C . 16737 1 699 . 1 1 61 61 THR CA C 13 62.51 0.037 . 1 . . . . 61 THR CA . 16737 1 700 . 1 1 61 61 THR CB C 13 70.08 0.094 . 1 . . . . 61 THR CB . 16737 1 701 . 1 1 61 61 THR CG2 C 13 18.85 0.049 . 1 . . . . 61 THR CG2 . 16737 1 702 . 1 1 61 61 THR N N 15 113.97 0.029 . 1 . . . . 61 THR N . 16737 1 703 . 1 1 62 62 GLY H H 1 8.32 0.005 . 1 . . . . 62 GLY H . 16737 1 704 . 1 1 62 62 GLY HA2 H 1 4.01 0.000 . 1 . . . . 62 GLY HA2 . 16737 1 705 . 1 1 62 62 GLY HA3 H 1 4.01 0.000 . 1 . . . . 62 GLY HA3 . 16737 1 706 . 1 1 62 62 GLY C C 13 174.09 0.012 . 1 . . . . 62 GLY C . 16737 1 707 . 1 1 62 62 GLY CA C 13 45.62 0.034 . 1 . . . . 62 GLY CA . 16737 1 708 . 1 1 62 62 GLY N N 15 111.58 0.045 . 1 . . . . 62 GLY N . 16737 1 709 . 1 1 63 63 LEU H H 1 7.81 0.006 . 1 . . . . 63 LEU H . 16737 1 710 . 1 1 63 63 LEU HA H 1 4.19 0.004 . 1 . . . . 63 LEU HA . 16737 1 711 . 1 1 63 63 LEU HB2 H 1 1.32 0.011 . 2 . . . . 63 LEU HB2 . 16737 1 712 . 1 1 63 63 LEU HB3 H 1 1.16 0.008 . 2 . . . . 63 LEU HB3 . 16737 1 713 . 1 1 63 63 LEU HD11 H 1 0.69 0.013 . 2 . . . . 63 LEU HD11 . 16737 1 714 . 1 1 63 63 LEU HD12 H 1 0.69 0.013 . 2 . . . . 63 LEU HD12 . 16737 1 715 . 1 1 63 63 LEU HD13 H 1 0.69 0.013 . 2 . . . . 63 LEU HD13 . 16737 1 716 . 1 1 63 63 LEU HD21 H 1 0.62 0.012 . 2 . . . . 63 LEU HD21 . 16737 1 717 . 1 1 63 63 LEU HD22 H 1 0.62 0.012 . 2 . . . . 63 LEU HD22 . 16737 1 718 . 1 1 63 63 LEU HD23 H 1 0.62 0.012 . 2 . . . . 63 LEU HD23 . 16737 1 719 . 1 1 63 63 LEU HG H 1 1.25 0.005 . 1 . . . . 63 LEU HG . 16737 1 720 . 1 1 63 63 LEU C C 13 176.79 0.009 . 1 . . . . 63 LEU C . 16737 1 721 . 1 1 63 63 LEU CA C 13 55.73 0.040 . 1 . . . . 63 LEU CA . 16737 1 722 . 1 1 63 63 LEU CB C 13 42.52 0.084 . 1 . . . . 63 LEU CB . 16737 1 723 . 1 1 63 63 LEU CD1 C 13 21.98 0.046 . 2 . . . . 63 LEU CD1 . 16737 1 724 . 1 1 63 63 LEU CD2 C 13 20.93 0.025 . 2 . . . . 63 LEU CD2 . 16737 1 725 . 1 1 63 63 LEU CG C 13 24.02 0.045 . 1 . . . . 63 LEU CG . 16737 1 726 . 1 1 63 63 LEU N N 15 122.07 0.024 . 1 . . . . 63 LEU N . 16737 1 727 . 1 1 64 64 TYR H H 1 8.10 0.010 . 1 . . . . 64 TYR H . 16737 1 728 . 1 1 64 64 TYR HA H 1 4.57 0.000 . 1 . . . . 64 TYR HA . 16737 1 729 . 1 1 64 64 TYR HB2 H 1 2.74 0.002 . 1 . . . . 64 TYR HB2 . 16737 1 730 . 1 1 64 64 TYR HB3 H 1 2.74 0.002 . 1 . . . . 64 TYR HB3 . 16737 1 731 . 1 1 64 64 TYR HD1 H 1 6.96 0.014 . 3 . . . . 64 TYR HD1 . 16737 1 732 . 1 1 64 64 TYR HD2 H 1 6.96 0.014 . 3 . . . . 64 TYR HD2 . 16737 1 733 . 1 1 64 64 TYR HE1 H 1 6.56 0.005 . 3 . . . . 64 TYR HE1 . 16737 1 734 . 1 1 64 64 TYR HE2 H 1 6.56 0.005 . 3 . . . . 64 TYR HE2 . 16737 1 735 . 1 1 64 64 TYR C C 13 175.30 0.026 . 1 . . . . 64 TYR C . 16737 1 736 . 1 1 64 64 TYR CA C 13 57.56 0.101 . 1 . . . . 64 TYR CA . 16737 1 737 . 1 1 64 64 TYR CB C 13 38.71 0.144 . 1 . . . . 64 TYR CB . 16737 1 738 . 1 1 64 64 TYR CD1 C 13 130.63 0.000 . 3 . . . . 64 TYR CD1 . 16737 1 739 . 1 1 64 64 TYR CD2 C 13 130.63 0.000 . 3 . . . . 64 TYR CD2 . 16737 1 740 . 1 1 64 64 TYR CE1 C 13 115.38 0.000 . 3 . . . . 64 TYR CE1 . 16737 1 741 . 1 1 64 64 TYR CE2 C 13 115.38 0.000 . 3 . . . . 64 TYR CE2 . 16737 1 742 . 1 1 64 64 TYR N N 15 118.88 0.069 . 1 . . . . 64 TYR N . 16737 1 743 . 1 1 65 65 ASP H H 1 7.95 0.007 . 1 . . . . 65 ASP H . 16737 1 744 . 1 1 65 65 ASP HA H 1 4.64 0.000 . 1 . . . . 65 ASP HA . 16737 1 745 . 1 1 65 65 ASP HB2 H 1 2.77 0.000 . 1 . . . . 65 ASP HB2 . 16737 1 746 . 1 1 65 65 ASP HB3 H 1 2.77 0.000 . 1 . . . . 65 ASP HB3 . 16737 1 747 . 1 1 65 65 ASP C C 13 176.62 0.029 . 1 . . . . 65 ASP C . 16737 1 748 . 1 1 65 65 ASP CA C 13 55.85 0.020 . 1 . . . . 65 ASP CA . 16737 1 749 . 1 1 65 65 ASP CB C 13 41.26 0.054 . 1 . . . . 65 ASP CB . 16737 1 750 . 1 1 65 65 ASP N N 15 121.52 0.053 . 1 . . . . 65 ASP N . 16737 1 751 . 1 1 66 66 GLY H H 1 8.37 0.009 . 1 . . . . 66 GLY H . 16737 1 752 . 1 1 66 66 GLY HA2 H 1 4.08 0.000 . 1 . . . . 66 GLY HA2 . 16737 1 753 . 1 1 66 66 GLY HA3 H 1 4.08 0.000 . 1 . . . . 66 GLY HA3 . 16737 1 754 . 1 1 66 66 GLY C C 13 173.92 0.032 . 1 . . . . 66 GLY C . 16737 1 755 . 1 1 66 66 GLY CA C 13 45.71 0.057 . 1 . . . . 66 GLY CA . 16737 1 756 . 1 1 66 66 GLY N N 15 109.19 0.057 . 1 . . . . 66 GLY N . 16737 1 757 . 1 1 67 67 CYS H H 1 8.13 0.010 . 1 . . . . 67 CYS H . 16737 1 758 . 1 1 67 67 CYS HA H 1 4.62 0.024 . 1 . . . . 67 CYS HA . 16737 1 759 . 1 1 67 67 CYS HB2 H 1 2.75 0.000 . 1 . . . . 67 CYS HB2 . 16737 1 760 . 1 1 67 67 CYS HB3 H 1 2.75 0.000 . 1 . . . . 67 CYS HB3 . 16737 1 761 . 1 1 67 67 CYS C C 13 173.00 0.002 . 1 . . . . 67 CYS C . 16737 1 762 . 1 1 67 67 CYS CA C 13 57.30 0.020 . 1 . . . . 67 CYS CA . 16737 1 763 . 1 1 67 67 CYS CB C 13 46.15 0.115 . 1 . . . . 67 CYS CB . 16737 1 764 . 1 1 67 67 CYS N N 15 116.90 0.031 . 1 . . . . 67 CYS N . 16737 1 765 . 1 1 68 68 TYR H H 1 7.65 0.013 . 1 . . . . 68 TYR H . 16737 1 766 . 1 1 68 68 TYR HA H 1 5.09 0.025 . 1 . . . . 68 TYR HA . 16737 1 767 . 1 1 68 68 TYR HB2 H 1 2.78 0.044 . 1 . . . . 68 TYR HB2 . 16737 1 768 . 1 1 68 68 TYR HB3 H 1 2.78 0.044 . 1 . . . . 68 TYR HB3 . 16737 1 769 . 1 1 68 68 TYR HD1 H 1 6.91 0.005 . 3 . . . . 68 TYR HD1 . 16737 1 770 . 1 1 68 68 TYR HD2 H 1 6.91 0.005 . 3 . . . . 68 TYR HD2 . 16737 1 771 . 1 1 68 68 TYR HE1 H 1 6.61 0.003 . 3 . . . . 68 TYR HE1 . 16737 1 772 . 1 1 68 68 TYR HE2 H 1 6.61 0.003 . 3 . . . . 68 TYR HE2 . 16737 1 773 . 1 1 68 68 TYR C C 13 175.91 0.014 . 1 . . . . 68 TYR C . 16737 1 774 . 1 1 68 68 TYR CA C 13 57.73 0.053 . 1 . . . . 68 TYR CA . 16737 1 775 . 1 1 68 68 TYR CB C 13 40.76 0.053 . 1 . . . . 68 TYR CB . 16737 1 776 . 1 1 68 68 TYR CD1 C 13 130.58 0.000 . 3 . . . . 68 TYR CD1 . 16737 1 777 . 1 1 68 68 TYR CD2 C 13 130.58 0.000 . 3 . . . . 68 TYR CD2 . 16737 1 778 . 1 1 68 68 TYR CE1 C 13 115.38 0.000 . 3 . . . . 68 TYR CE1 . 16737 1 779 . 1 1 68 68 TYR CE2 C 13 115.38 0.000 . 3 . . . . 68 TYR CE2 . 16737 1 780 . 1 1 68 68 TYR N N 15 116.88 0.034 . 1 . . . . 68 TYR N . 16737 1 781 . 1 1 69 69 ILE H H 1 9.35 0.004 . 1 . . . . 69 ILE H . 16737 1 782 . 1 1 69 69 ILE HA H 1 4.38 0.027 . 1 . . . . 69 ILE HA . 16737 1 783 . 1 1 69 69 ILE HB H 1 1.49 0.006 . 1 . . . . 69 ILE HB . 16737 1 784 . 1 1 69 69 ILE HD11 H 1 0.44 0.007 . 1 . . . . 69 ILE HD11 . 16737 1 785 . 1 1 69 69 ILE HD12 H 1 0.44 0.007 . 1 . . . . 69 ILE HD12 . 16737 1 786 . 1 1 69 69 ILE HD13 H 1 0.44 0.007 . 1 . . . . 69 ILE HD13 . 16737 1 787 . 1 1 69 69 ILE HG12 H 1 1.39 0.002 . 2 . . . . 69 ILE HG12 . 16737 1 788 . 1 1 69 69 ILE HG13 H 1 0.74 0.006 . 2 . . . . 69 ILE HG13 . 16737 1 789 . 1 1 69 69 ILE HG21 H 1 0.67 0.005 . 1 . . . . 69 ILE HG21 . 16737 1 790 . 1 1 69 69 ILE HG22 H 1 0.67 0.005 . 1 . . . . 69 ILE HG22 . 16737 1 791 . 1 1 69 69 ILE HG23 H 1 0.67 0.005 . 1 . . . . 69 ILE HG23 . 16737 1 792 . 1 1 69 69 ILE C C 13 174.48 0.018 . 1 . . . . 69 ILE C . 16737 1 793 . 1 1 69 69 ILE CA C 13 60.15 0.066 . 1 . . . . 69 ILE CA . 16737 1 794 . 1 1 69 69 ILE CB C 13 42.01 0.057 . 1 . . . . 69 ILE CB . 16737 1 795 . 1 1 69 69 ILE CD1 C 13 11.25 0.044 . 1 . . . . 69 ILE CD1 . 16737 1 796 . 1 1 69 69 ILE CG1 C 13 24.54 0.066 . 1 . . . . 69 ILE CG1 . 16737 1 797 . 1 1 69 69 ILE CG2 C 13 14.80 0.016 . 1 . . . . 69 ILE CG2 . 16737 1 798 . 1 1 69 69 ILE N N 15 120.80 0.027 . 1 . . . . 69 ILE N . 16737 1 799 . 1 1 70 70 SER H H 1 8.59 0.004 . 1 . . . . 70 SER H . 16737 1 800 . 1 1 70 70 SER HA H 1 4.65 0.035 . 1 . . . . 70 SER HA . 16737 1 801 . 1 1 70 70 SER HB2 H 1 3.79 0.001 . 1 . . . . 70 SER HB2 . 16737 1 802 . 1 1 70 70 SER HB3 H 1 3.79 0.001 . 1 . . . . 70 SER HB3 . 16737 1 803 . 1 1 70 70 SER C C 13 173.56 0.000 . 1 . . . . 70 SER C . 16737 1 804 . 1 1 70 70 SER CA C 13 59.41 0.116 . 1 . . . . 70 SER CA . 16737 1 805 . 1 1 70 70 SER CB C 13 63.56 0.065 . 1 . . . . 70 SER CB . 16737 1 806 . 1 1 70 70 SER N N 15 122.50 0.031 . 1 . . . . 70 SER N . 16737 1 807 . 1 1 71 71 THR H H 1 8.16 0.013 . 1 . . . . 71 THR H . 16737 1 808 . 1 1 71 71 THR HA H 1 5.23 0.035 . 1 . . . . 71 THR HA . 16737 1 809 . 1 1 71 71 THR HB H 1 4.07 0.026 . 1 . . . . 71 THR HB . 16737 1 810 . 1 1 71 71 THR HG21 H 1 1.00 0.009 . 1 . . . . 71 THR HG21 . 16737 1 811 . 1 1 71 71 THR HG22 H 1 1.00 0.009 . 1 . . . . 71 THR HG22 . 16737 1 812 . 1 1 71 71 THR HG23 H 1 1.00 0.009 . 1 . . . . 71 THR HG23 . 16737 1 813 . 1 1 71 71 THR C C 13 172.78 0.012 . 1 . . . . 71 THR C . 16737 1 814 . 1 1 71 71 THR CA C 13 60.67 0.037 . 1 . . . . 71 THR CA . 16737 1 815 . 1 1 71 71 THR CB C 13 72.00 0.118 . 1 . . . . 71 THR CB . 16737 1 816 . 1 1 71 71 THR CG2 C 13 19.62 0.081 . 1 . . . . 71 THR CG2 . 16737 1 817 . 1 1 71 71 THR N N 15 118.76 0.044 . 1 . . . . 71 THR N . 16737 1 818 . 1 1 72 72 THR H H 1 9.15 0.011 . 1 . . . . 72 THR H . 16737 1 819 . 1 1 72 72 THR HA H 1 5.88 0.019 . 1 . . . . 72 THR HA . 16737 1 820 . 1 1 72 72 THR HB H 1 4.54 0.013 . 1 . . . . 72 THR HB . 16737 1 821 . 1 1 72 72 THR HG21 H 1 1.38 0.012 . 1 . . . . 72 THR HG21 . 16737 1 822 . 1 1 72 72 THR HG22 H 1 1.38 0.012 . 1 . . . . 72 THR HG22 . 16737 1 823 . 1 1 72 72 THR HG23 H 1 1.38 0.012 . 1 . . . . 72 THR HG23 . 16737 1 824 . 1 1 72 72 THR C C 13 173.08 0.012 . 1 . . . . 72 THR C . 16737 1 825 . 1 1 72 72 THR CA C 13 58.66 0.033 . 1 . . . . 72 THR CA . 16737 1 826 . 1 1 72 72 THR CB C 13 70.44 0.071 . 1 . . . . 72 THR CB . 16737 1 827 . 1 1 72 72 THR CG2 C 13 17.07 0.049 . 1 . . . . 72 THR CG2 . 16737 1 828 . 1 1 72 72 THR N N 15 113.98 0.024 . 1 . . . . 72 THR N . 16737 1 829 . 1 1 73 73 THR H H 1 8.25 0.010 . 1 . . . . 73 THR H . 16737 1 830 . 1 1 73 73 THR HA H 1 4.90 0.007 . 1 . . . . 73 THR HA . 16737 1 831 . 1 1 73 73 THR HB H 1 4.61 0.002 . 1 . . . . 73 THR HB . 16737 1 832 . 1 1 73 73 THR HG21 H 1 0.99 0.007 . 1 . . . . 73 THR HG21 . 16737 1 833 . 1 1 73 73 THR HG22 H 1 0.99 0.007 . 1 . . . . 73 THR HG22 . 16737 1 834 . 1 1 73 73 THR HG23 H 1 0.99 0.007 . 1 . . . . 73 THR HG23 . 16737 1 835 . 1 1 73 73 THR C C 13 174.17 0.015 . 1 . . . . 73 THR C . 16737 1 836 . 1 1 73 73 THR CA C 13 63.33 0.028 . 1 . . . . 73 THR CA . 16737 1 837 . 1 1 73 73 THR CB C 13 69.98 0.014 . 1 . . . . 73 THR CB . 16737 1 838 . 1 1 73 73 THR CG2 C 13 19.61 0.000 . 1 . . . . 73 THR CG2 . 16737 1 839 . 1 1 73 73 THR N N 15 116.94 0.054 . 1 . . . . 73 THR N . 16737 1 840 . 1 1 74 74 ASP H H 1 8.49 0.006 . 1 . . . . 74 ASP H . 16737 1 841 . 1 1 74 74 ASP HA H 1 4.98 0.027 . 1 . . . . 74 ASP HA . 16737 1 842 . 1 1 74 74 ASP HB2 H 1 3.01 0.001 . 2 . . . . 74 ASP HB2 . 16737 1 843 . 1 1 74 74 ASP HB3 H 1 2.37 0.002 . 2 . . . . 74 ASP HB3 . 16737 1 844 . 1 1 74 74 ASP C C 13 175.16 0.015 . 1 . . . . 74 ASP C . 16737 1 845 . 1 1 74 74 ASP CA C 13 52.75 0.009 . 1 . . . . 74 ASP CA . 16737 1 846 . 1 1 74 74 ASP CB C 13 43.38 0.058 . 1 . . . . 74 ASP CB . 16737 1 847 . 1 1 74 74 ASP N N 15 124.59 0.031 . 1 . . . . 74 ASP N . 16737 1 848 . 1 1 75 75 LYS H H 1 8.87 0.004 . 1 . . . . 75 LYS H . 16737 1 849 . 1 1 75 75 LYS HA H 1 3.03 0.021 . 1 . . . . 75 LYS HA . 16737 1 850 . 1 1 75 75 LYS HB2 H 1 1.41 0.025 . 2 . . . . 75 LYS HB2 . 16737 1 851 . 1 1 75 75 LYS HB3 H 1 0.71 0.025 . 2 . . . . 75 LYS HB3 . 16737 1 852 . 1 1 75 75 LYS HD2 H 1 1.26 0.000 . 1 . . . . 75 LYS HD2 . 16737 1 853 . 1 1 75 75 LYS HD3 H 1 1.26 0.000 . 1 . . . . 75 LYS HD3 . 16737 1 854 . 1 1 75 75 LYS HE2 H 1 2.93 0.024 . 1 . . . . 75 LYS HE2 . 16737 1 855 . 1 1 75 75 LYS HE3 H 1 2.93 0.024 . 1 . . . . 75 LYS HE3 . 16737 1 856 . 1 1 75 75 LYS HG2 H 1 1.15 0.000 . 1 . . . . 75 LYS HG2 . 16737 1 857 . 1 1 75 75 LYS HG3 H 1 1.15 0.000 . 1 . . . . 75 LYS HG3 . 16737 1 858 . 1 1 75 75 LYS C C 13 177.53 0.015 . 1 . . . . 75 LYS C . 16737 1 859 . 1 1 75 75 LYS CA C 13 59.97 0.046 . 1 . . . . 75 LYS CA . 16737 1 860 . 1 1 75 75 LYS CB C 13 33.00 0.029 . 1 . . . . 75 LYS CB . 16737 1 861 . 1 1 75 75 LYS N N 15 129.85 0.027 . 1 . . . . 75 LYS N . 16737 1 862 . 1 1 76 76 GLU H H 1 8.25 0.011 . 1 . . . . 76 GLU H . 16737 1 863 . 1 1 76 76 GLU HA H 1 4.01 0.014 . 1 . . . . 76 GLU HA . 16737 1 864 . 1 1 76 76 GLU HB2 H 1 2.17 0.006 . 2 . . . . 76 GLU HB2 . 16737 1 865 . 1 1 76 76 GLU HB3 H 1 2.02 0.019 . 2 . . . . 76 GLU HB3 . 16737 1 866 . 1 1 76 76 GLU HG2 H 1 2.30 0.011 . 1 . . . . 76 GLU HG2 . 16737 1 867 . 1 1 76 76 GLU HG3 H 1 2.30 0.011 . 1 . . . . 76 GLU HG3 . 16737 1 868 . 1 1 76 76 GLU C C 13 180.09 0.019 . 1 . . . . 76 GLU C . 16737 1 869 . 1 1 76 76 GLU CA C 13 58.72 0.050 . 1 . . . . 76 GLU CA . 16737 1 870 . 1 1 76 76 GLU CB C 13 28.83 0.040 . 1 . . . . 76 GLU CB . 16737 1 871 . 1 1 76 76 GLU CG C 13 33.22 0.000 . 1 . . . . 76 GLU CG . 16737 1 872 . 1 1 76 76 GLU N N 15 117.28 0.060 . 1 . . . . 76 GLU N . 16737 1 873 . 1 1 77 77 ILE H H 1 7.52 0.013 . 1 . . . . 77 ILE H . 16737 1 874 . 1 1 77 77 ILE HA H 1 3.68 0.018 . 1 . . . . 77 ILE HA . 16737 1 875 . 1 1 77 77 ILE HB H 1 2.09 0.022 . 1 . . . . 77 ILE HB . 16737 1 876 . 1 1 77 77 ILE HD11 H 1 0.78 0.000 . 1 . . . . 77 ILE HD11 . 16737 1 877 . 1 1 77 77 ILE HD12 H 1 0.78 0.000 . 1 . . . . 77 ILE HD12 . 16737 1 878 . 1 1 77 77 ILE HD13 H 1 0.78 0.000 . 1 . . . . 77 ILE HD13 . 16737 1 879 . 1 1 77 77 ILE HG12 H 1 1.51 0.006 . 2 . . . . 77 ILE HG12 . 16737 1 880 . 1 1 77 77 ILE HG13 H 1 0.97 0.004 . 2 . . . . 77 ILE HG13 . 16737 1 881 . 1 1 77 77 ILE HG21 H 1 0.78 0.000 . 1 . . . . 77 ILE HG21 . 16737 1 882 . 1 1 77 77 ILE HG22 H 1 0.78 0.000 . 1 . . . . 77 ILE HG22 . 16737 1 883 . 1 1 77 77 ILE HG23 H 1 0.78 0.000 . 1 . . . . 77 ILE HG23 . 16737 1 884 . 1 1 77 77 ILE C C 13 177.80 0.021 . 1 . . . . 77 ILE C . 16737 1 885 . 1 1 77 77 ILE CA C 13 64.53 0.103 . 1 . . . . 77 ILE CA . 16737 1 886 . 1 1 77 77 ILE CB C 13 37.03 0.108 . 1 . . . . 77 ILE CB . 16737 1 887 . 1 1 77 77 ILE CG1 C 13 25.95 0.013 . 1 . . . . 77 ILE CG1 . 16737 1 888 . 1 1 77 77 ILE N N 15 123.77 0.032 . 1 . . . . 77 ILE N . 16737 1 889 . 1 1 78 78 ALA H H 1 7.59 0.010 . 1 . . . . 78 ALA H . 16737 1 890 . 1 1 78 78 ALA HA H 1 4.41 0.002 . 1 . . . . 78 ALA HA . 16737 1 891 . 1 1 78 78 ALA HB1 H 1 1.43 0.010 . 1 . . . . 78 ALA HB1 . 16737 1 892 . 1 1 78 78 ALA HB2 H 1 1.43 0.010 . 1 . . . . 78 ALA HB2 . 16737 1 893 . 1 1 78 78 ALA HB3 H 1 1.43 0.010 . 1 . . . . 78 ALA HB3 . 16737 1 894 . 1 1 78 78 ALA C C 13 178.94 0.024 . 1 . . . . 78 ALA C . 16737 1 895 . 1 1 78 78 ALA CA C 13 55.40 0.096 . 1 . . . . 78 ALA CA . 16737 1 896 . 1 1 78 78 ALA CB C 13 18.76 0.026 . 1 . . . . 78 ALA CB . 16737 1 897 . 1 1 78 78 ALA N N 15 122.72 0.015 . 1 . . . . 78 ALA N . 16737 1 898 . 1 1 79 79 LYS H H 1 8.34 0.009 . 1 . . . . 79 LYS H . 16737 1 899 . 1 1 79 79 LYS HA H 1 3.74 0.014 . 1 . . . . 79 LYS HA . 16737 1 900 . 1 1 79 79 LYS HB2 H 1 1.93 0.000 . 2 . . . . 79 LYS HB2 . 16737 1 901 . 1 1 79 79 LYS HB3 H 1 1.84 0.047 . 2 . . . . 79 LYS HB3 . 16737 1 902 . 1 1 79 79 LYS HD2 H 1 1.62 0.000 . 1 . . . . 79 LYS HD2 . 16737 1 903 . 1 1 79 79 LYS HD3 H 1 1.62 0.000 . 1 . . . . 79 LYS HD3 . 16737 1 904 . 1 1 79 79 LYS HE2 H 1 2.80 0.001 . 2 . . . . 79 LYS HE2 . 16737 1 905 . 1 1 79 79 LYS HE3 H 1 2.69 0.006 . 2 . . . . 79 LYS HE3 . 16737 1 906 . 1 1 79 79 LYS HG2 H 1 1.40 0.000 . 2 . . . . 79 LYS HG2 . 16737 1 907 . 1 1 79 79 LYS HG3 H 1 1.28 0.001 . 2 . . . . 79 LYS HG3 . 16737 1 908 . 1 1 79 79 LYS C C 13 177.90 0.018 . 1 . . . . 79 LYS C . 16737 1 909 . 1 1 79 79 LYS CA C 13 60.41 0.081 . 1 . . . . 79 LYS CA . 16737 1 910 . 1 1 79 79 LYS CB C 13 32.79 0.029 . 1 . . . . 79 LYS CB . 16737 1 911 . 1 1 79 79 LYS CE C 13 38.71 0.035 . 1 . . . . 79 LYS CE . 16737 1 912 . 1 1 79 79 LYS N N 15 119.55 0.015 . 1 . . . . 79 LYS N . 16737 1 913 . 1 1 80 80 LYS H H 1 7.70 0.012 . 1 . . . . 80 LYS H . 16737 1 914 . 1 1 80 80 LYS HA H 1 3.93 0.004 . 1 . . . . 80 LYS HA . 16737 1 915 . 1 1 80 80 LYS HB2 H 1 1.97 0.008 . 2 . . . . 80 LYS HB2 . 16737 1 916 . 1 1 80 80 LYS HB3 H 1 1.86 0.000 . 2 . . . . 80 LYS HB3 . 16737 1 917 . 1 1 80 80 LYS HD2 H 1 1.54 0.000 . 2 . . . . 80 LYS HD2 . 16737 1 918 . 1 1 80 80 LYS HD3 H 1 1.49 0.000 . 2 . . . . 80 LYS HD3 . 16737 1 919 . 1 1 80 80 LYS HE2 H 1 2.79 0.005 . 1 . . . . 80 LYS HE2 . 16737 1 920 . 1 1 80 80 LYS HE3 H 1 2.79 0.005 . 1 . . . . 80 LYS HE3 . 16737 1 921 . 1 1 80 80 LYS HG2 H 1 1.17 0.005 . 1 . . . . 80 LYS HG2 . 16737 1 922 . 1 1 80 80 LYS HG3 H 1 1.17 0.005 . 1 . . . . 80 LYS HG3 . 16737 1 923 . 1 1 80 80 LYS C C 13 178.62 0.017 . 1 . . . . 80 LYS C . 16737 1 924 . 1 1 80 80 LYS CA C 13 60.42 0.044 . 1 . . . . 80 LYS CA . 16737 1 925 . 1 1 80 80 LYS CB C 13 31.97 0.068 . 1 . . . . 80 LYS CB . 16737 1 926 . 1 1 80 80 LYS CG C 13 22.35 0.000 . 1 . . . . 80 LYS CG . 16737 1 927 . 1 1 80 80 LYS N N 15 122.81 0.017 . 1 . . . . 80 LYS N . 16737 1 928 . 1 1 81 81 PHE H H 1 8.10 0.005 . 1 . . . . 81 PHE H . 16737 1 929 . 1 1 81 81 PHE HA H 1 4.54 0.017 . 1 . . . . 81 PHE HA . 16737 1 930 . 1 1 81 81 PHE HB2 H 1 3.29 0.018 . 2 . . . . 81 PHE HB2 . 16737 1 931 . 1 1 81 81 PHE HB3 H 1 3.25 0.000 . 2 . . . . 81 PHE HB3 . 16737 1 932 . 1 1 81 81 PHE HD1 H 1 7.38 0.024 . 3 . . . . 81 PHE HD1 . 16737 1 933 . 1 1 81 81 PHE HD2 H 1 7.38 0.024 . 3 . . . . 81 PHE HD2 . 16737 1 934 . 1 1 81 81 PHE HE1 H 1 7.40 0.000 . 3 . . . . 81 PHE HE1 . 16737 1 935 . 1 1 81 81 PHE HE2 H 1 7.40 0.000 . 3 . . . . 81 PHE HE2 . 16737 1 936 . 1 1 81 81 PHE C C 13 178.61 0.012 . 1 . . . . 81 PHE C . 16737 1 937 . 1 1 81 81 PHE CA C 13 60.66 0.028 . 1 . . . . 81 PHE CA . 16737 1 938 . 1 1 81 81 PHE CB C 13 38.99 0.064 . 1 . . . . 81 PHE CB . 16737 1 939 . 1 1 81 81 PHE CD1 C 13 130.20 0.000 . 3 . . . . 81 PHE CD1 . 16737 1 940 . 1 1 81 81 PHE CD2 C 13 130.20 0.000 . 3 . . . . 81 PHE CD2 . 16737 1 941 . 1 1 81 81 PHE CE1 C 13 128.75 0.000 . 3 . . . . 81 PHE CE1 . 16737 1 942 . 1 1 81 81 PHE CE2 C 13 128.75 0.000 . 3 . . . . 81 PHE CE2 . 16737 1 943 . 1 1 81 81 PHE N N 15 119.12 0.021 . 1 . . . . 81 PHE N . 16737 1 944 . 1 1 82 82 ALA H H 1 8.93 0.004 . 1 . . . . 82 ALA H . 16737 1 945 . 1 1 82 82 ALA HA H 1 3.82 0.017 . 1 . . . . 82 ALA HA . 16737 1 946 . 1 1 82 82 ALA HB1 H 1 1.40 0.019 . 1 . . . . 82 ALA HB1 . 16737 1 947 . 1 1 82 82 ALA HB2 H 1 1.40 0.019 . 1 . . . . 82 ALA HB2 . 16737 1 948 . 1 1 82 82 ALA HB3 H 1 1.40 0.019 . 1 . . . . 82 ALA HB3 . 16737 1 949 . 1 1 82 82 ALA C C 13 175.67 0.019 . 1 . . . . 82 ALA C . 16737 1 950 . 1 1 82 82 ALA CA C 13 54.80 0.028 . 1 . . . . 82 ALA CA . 16737 1 951 . 1 1 82 82 ALA CB C 13 19.99 0.027 . 1 . . . . 82 ALA CB . 16737 1 952 . 1 1 82 82 ALA N N 15 122.43 0.027 . 1 . . . . 82 ALA N . 16737 1 953 . 1 1 83 83 THR H H 1 7.19 0.012 . 1 . . . . 83 THR H . 16737 1 954 . 1 1 83 83 THR HA H 1 5.07 0.025 . 1 . . . . 83 THR HA . 16737 1 955 . 1 1 83 83 THR HB H 1 4.77 0.007 . 1 . . . . 83 THR HB . 16737 1 956 . 1 1 83 83 THR HG21 H 1 1.19 0.011 . 1 . . . . 83 THR HG21 . 16737 1 957 . 1 1 83 83 THR HG22 H 1 1.19 0.011 . 1 . . . . 83 THR HG22 . 16737 1 958 . 1 1 83 83 THR HG23 H 1 1.19 0.011 . 1 . . . . 83 THR HG23 . 16737 1 959 . 1 1 83 83 THR C C 13 176.20 0.022 . 1 . . . . 83 THR C . 16737 1 960 . 1 1 83 83 THR CA C 13 59.10 0.033 . 1 . . . . 83 THR CA . 16737 1 961 . 1 1 83 83 THR CB C 13 73.08 0.044 . 1 . . . . 83 THR CB . 16737 1 962 . 1 1 83 83 THR CG2 C 13 18.09 0.019 . 1 . . . . 83 THR CG2 . 16737 1 963 . 1 1 83 83 THR N N 15 98.24 0.018 . 1 . . . . 83 THR N . 16737 1 964 . 1 1 84 84 SER H H 1 7.87 0.012 . 1 . . . . 84 SER H . 16737 1 965 . 1 1 84 84 SER HA H 1 4.14 0.038 . 1 . . . . 84 SER HA . 16737 1 966 . 1 1 84 84 SER HB2 H 1 4.29 0.014 . 2 . . . . 84 SER HB2 . 16737 1 967 . 1 1 84 84 SER HB3 H 1 3.91 0.027 . 2 . . . . 84 SER HB3 . 16737 1 968 . 1 1 84 84 SER C C 13 174.69 0.000 . 1 . . . . 84 SER C . 16737 1 969 . 1 1 84 84 SER CA C 13 58.57 0.112 . 1 . . . . 84 SER CA . 16737 1 970 . 1 1 84 84 SER CB C 13 61.14 0.025 . 1 . . . . 84 SER CB . 16737 1 971 . 1 1 84 84 SER N N 15 118.64 0.036 . 1 . . . . 84 SER N . 16737 1 972 . 1 1 85 85 SER H H 1 9.22 0.004 . 1 . . . . 85 SER H . 16737 1 973 . 1 1 85 85 SER HA H 1 4.16 0.001 . 1 . . . . 85 SER HA . 16737 1 974 . 1 1 85 85 SER HB2 H 1 4.27 0.000 . 2 . . . . 85 SER HB2 . 16737 1 975 . 1 1 85 85 SER HB3 H 1 3.91 0.000 . 2 . . . . 85 SER HB3 . 16737 1 976 . 1 1 85 85 SER C C 13 174.86 0.000 . 1 . . . . 85 SER C . 16737 1 977 . 1 1 85 85 SER CA C 13 58.62 0.058 . 1 . . . . 85 SER CA . 16737 1 978 . 1 1 85 85 SER CB C 13 61.47 0.062 . 1 . . . . 85 SER CB . 16737 1 979 . 1 1 85 85 SER N N 15 110.18 0.034 . 1 . . . . 85 SER N . 16737 1 980 . 1 1 86 86 GLY H H 1 8.17 0.006 . 1 . . . . 86 GLY H . 16737 1 981 . 1 1 86 86 GLY HA2 H 1 4.22 0.027 . 2 . . . . 86 GLY HA2 . 16737 1 982 . 1 1 86 86 GLY HA3 H 1 3.54 0.015 . 2 . . . . 86 GLY HA3 . 16737 1 983 . 1 1 86 86 GLY C C 13 173.93 0.014 . 1 . . . . 86 GLY C . 16737 1 984 . 1 1 86 86 GLY CA C 13 45.93 0.032 . 1 . . . . 86 GLY CA . 16737 1 985 . 1 1 86 86 GLY N N 15 106.44 0.042 . 1 . . . . 86 GLY N . 16737 1 986 . 1 1 87 87 ILE H H 1 8.01 0.017 . 1 . . . . 87 ILE H . 16737 1 987 . 1 1 87 87 ILE HA H 1 4.57 0.005 . 1 . . . . 87 ILE HA . 16737 1 988 . 1 1 87 87 ILE HB H 1 2.02 0.011 . 1 . . . . 87 ILE HB . 16737 1 989 . 1 1 87 87 ILE HD11 H 1 0.84 0.008 . 1 . . . . 87 ILE HD11 . 16737 1 990 . 1 1 87 87 ILE HD12 H 1 0.84 0.008 . 1 . . . . 87 ILE HD12 . 16737 1 991 . 1 1 87 87 ILE HD13 H 1 0.84 0.008 . 1 . . . . 87 ILE HD13 . 16737 1 992 . 1 1 87 87 ILE HG12 H 1 1.45 0.005 . 2 . . . . 87 ILE HG12 . 16737 1 993 . 1 1 87 87 ILE HG13 H 1 1.26 0.008 . 2 . . . . 87 ILE HG13 . 16737 1 994 . 1 1 87 87 ILE HG21 H 1 0.84 0.003 . 1 . . . . 87 ILE HG21 . 16737 1 995 . 1 1 87 87 ILE HG22 H 1 0.84 0.003 . 1 . . . . 87 ILE HG22 . 16737 1 996 . 1 1 87 87 ILE HG23 H 1 0.84 0.003 . 1 . . . . 87 ILE HG23 . 16737 1 997 . 1 1 87 87 ILE C C 13 175.01 0.012 . 1 . . . . 87 ILE C . 16737 1 998 . 1 1 87 87 ILE CA C 13 61.25 0.056 . 1 . . . . 87 ILE CA . 16737 1 999 . 1 1 87 87 ILE CB C 13 40.08 0.070 . 1 . . . . 87 ILE CB . 16737 1 1000 . 1 1 87 87 ILE CD1 C 13 10.58 0.135 . 1 . . . . 87 ILE CD1 . 16737 1 1001 . 1 1 87 87 ILE CG1 C 13 23.82 0.032 . 1 . . . . 87 ILE CG1 . 16737 1 1002 . 1 1 87 87 ILE CG2 C 13 14.63 0.000 . 1 . . . . 87 ILE CG2 . 16737 1 1003 . 1 1 87 87 ILE N N 15 115.02 0.035 . 1 . . . . 87 ILE N . 16737 1 1004 . 1 1 88 88 GLU H H 1 8.42 0.024 . 1 . . . . 88 GLU H . 16737 1 1005 . 1 1 88 88 GLU HA H 1 4.83 0.022 . 1 . . . . 88 GLU HA . 16737 1 1006 . 1 1 88 88 GLU HB2 H 1 1.97 0.000 . 1 . . . . 88 GLU HB2 . 16737 1 1007 . 1 1 88 88 GLU HB3 H 1 1.97 0.000 . 1 . . . . 88 GLU HB3 . 16737 1 1008 . 1 1 88 88 GLU HG2 H 1 2.15 0.000 . 1 . . . . 88 GLU HG2 . 16737 1 1009 . 1 1 88 88 GLU HG3 H 1 2.15 0.000 . 1 . . . . 88 GLU HG3 . 16737 1 1010 . 1 1 88 88 GLU C C 13 171.65 0.008 . 1 . . . . 88 GLU C . 16737 1 1011 . 1 1 88 88 GLU CA C 13 54.07 0.051 . 1 . . . . 88 GLU CA . 16737 1 1012 . 1 1 88 88 GLU CB C 13 33.44 0.017 . 1 . . . . 88 GLU CB . 16737 1 1013 . 1 1 88 88 GLU N N 15 121.78 0.007 . 1 . . . . 88 GLU N . 16737 1 1014 . 1 1 89 89 ASN H H 1 8.36 0.004 . 1 . . . . 89 ASN H . 16737 1 1015 . 1 1 89 89 ASN HA H 1 4.93 0.013 . 1 . . . . 89 ASN HA . 16737 1 1016 . 1 1 89 89 ASN HB2 H 1 2.73 0.000 . 1 . . . . 89 ASN HB2 . 16737 1 1017 . 1 1 89 89 ASN HB3 H 1 2.73 0.000 . 1 . . . . 89 ASN HB3 . 16737 1 1018 . 1 1 89 89 ASN HD21 H 1 7.58 0.000 . 1 . . . . 89 ASN HD21 . 16737 1 1019 . 1 1 89 89 ASN HD22 H 1 6.96 0.000 . 1 . . . . 89 ASN HD22 . 16737 1 1020 . 1 1 89 89 ASN C C 13 176.26 0.016 . 1 . . . . 89 ASN C . 16737 1 1021 . 1 1 89 89 ASN CA C 13 52.72 0.024 . 1 . . . . 89 ASN CA . 16737 1 1022 . 1 1 89 89 ASN CB C 13 39.00 0.070 . 1 . . . . 89 ASN CB . 16737 1 1023 . 1 1 89 89 ASN N N 15 117.61 0.024 . 1 . . . . 89 ASN N . 16737 1 1024 . 1 1 89 89 ASN ND2 N 15 112.52 0.034 . 1 . . . . 89 ASN ND2 . 16737 1 1025 . 1 1 90 90 GLY H H 1 8.34 0.008 . 1 . . . . 90 GLY H . 16737 1 1026 . 1 1 90 90 GLY HA2 H 1 4.88 0.028 . 2 . . . . 90 GLY HA2 . 16737 1 1027 . 1 1 90 90 GLY HA3 H 1 4.10 0.019 . 2 . . . . 90 GLY HA3 . 16737 1 1028 . 1 1 90 90 GLY C C 13 169.64 0.000 . 1 . . . . 90 GLY C . 16737 1 1029 . 1 1 90 90 GLY CA C 13 45.83 0.036 . 1 . . . . 90 GLY CA . 16737 1 1030 . 1 1 90 90 GLY N N 15 109.07 0.051 . 1 . . . . 90 GLY N . 16737 1 1031 . 1 1 91 91 TYR H H 1 9.52 0.008 . 1 . . . . 91 TYR H . 16737 1 1032 . 1 1 91 91 TYR HA H 1 5.86 0.020 . 1 . . . . 91 TYR HA . 16737 1 1033 . 1 1 91 91 TYR HB2 H 1 2.45 0.001 . 2 . . . . 91 TYR HB2 . 16737 1 1034 . 1 1 91 91 TYR HB3 H 1 2.35 0.014 . 2 . . . . 91 TYR HB3 . 16737 1 1035 . 1 1 91 91 TYR HD1 H 1 6.81 0.012 . 3 . . . . 91 TYR HD1 . 16737 1 1036 . 1 1 91 91 TYR HD2 H 1 6.81 0.012 . 3 . . . . 91 TYR HD2 . 16737 1 1037 . 1 1 91 91 TYR HE1 H 1 6.70 0.012 . 3 . . . . 91 TYR HE1 . 16737 1 1038 . 1 1 91 91 TYR HE2 H 1 6.70 0.012 . 3 . . . . 91 TYR HE2 . 16737 1 1039 . 1 1 91 91 TYR C C 13 175.39 0.021 . 1 . . . . 91 TYR C . 16737 1 1040 . 1 1 91 91 TYR CA C 13 56.01 0.054 . 1 . . . . 91 TYR CA . 16737 1 1041 . 1 1 91 91 TYR CB C 13 43.49 0.042 . 1 . . . . 91 TYR CB . 16737 1 1042 . 1 1 91 91 TYR CD1 C 13 130.62 0.000 . 3 . . . . 91 TYR CD1 . 16737 1 1043 . 1 1 91 91 TYR CD2 C 13 130.62 0.000 . 3 . . . . 91 TYR CD2 . 16737 1 1044 . 1 1 91 91 TYR CE1 C 13 115.47 0.000 . 3 . . . . 91 TYR CE1 . 16737 1 1045 . 1 1 91 91 TYR CE2 C 13 115.47 0.000 . 3 . . . . 91 TYR CE2 . 16737 1 1046 . 1 1 91 91 TYR N N 15 116.16 0.042 . 1 . . . . 91 TYR N . 16737 1 1047 . 1 1 92 92 ILE H H 1 9.14 0.021 . 1 . . . . 92 ILE H . 16737 1 1048 . 1 1 92 92 ILE HA H 1 4.88 0.015 . 1 . . . . 92 ILE HA . 16737 1 1049 . 1 1 92 92 ILE HB H 1 1.73 0.027 . 1 . . . . 92 ILE HB . 16737 1 1050 . 1 1 92 92 ILE HD11 H 1 0.80 0.000 . 1 . . . . 92 ILE HD11 . 16737 1 1051 . 1 1 92 92 ILE HD12 H 1 0.80 0.000 . 1 . . . . 92 ILE HD12 . 16737 1 1052 . 1 1 92 92 ILE HD13 H 1 0.80 0.000 . 1 . . . . 92 ILE HD13 . 16737 1 1053 . 1 1 92 92 ILE HG12 H 1 1.55 0.001 . 2 . . . . 92 ILE HG12 . 16737 1 1054 . 1 1 92 92 ILE HG13 H 1 0.86 0.001 . 2 . . . . 92 ILE HG13 . 16737 1 1055 . 1 1 92 92 ILE HG21 H 1 0.70 0.046 . 1 . . . . 92 ILE HG21 . 16737 1 1056 . 1 1 92 92 ILE HG22 H 1 0.70 0.046 . 1 . . . . 92 ILE HG22 . 16737 1 1057 . 1 1 92 92 ILE HG23 H 1 0.70 0.046 . 1 . . . . 92 ILE HG23 . 16737 1 1058 . 1 1 92 92 ILE C C 13 176.08 0.005 . 1 . . . . 92 ILE C . 16737 1 1059 . 1 1 92 92 ILE CA C 13 60.33 0.071 . 1 . . . . 92 ILE CA . 16737 1 1060 . 1 1 92 92 ILE CB C 13 41.13 0.064 . 1 . . . . 92 ILE CB . 16737 1 1061 . 1 1 92 92 ILE CD1 C 13 9.99 0.043 . 1 . . . . 92 ILE CD1 . 16737 1 1062 . 1 1 92 92 ILE CG1 C 13 22.15 0.000 . 1 . . . . 92 ILE CG1 . 16737 1 1063 . 1 1 92 92 ILE CG2 C 13 11.30 0.058 . 1 . . . . 92 ILE CG2 . 16737 1 1064 . 1 1 92 92 ILE N N 15 117.70 0.025 . 1 . . . . 92 ILE N . 16737 1 1065 . 1 1 93 93 TYR H H 1 9.38 0.009 . 1 . . . . 93 TYR H . 16737 1 1066 . 1 1 93 93 TYR HA H 1 5.00 0.015 . 1 . . . . 93 TYR HA . 16737 1 1067 . 1 1 93 93 TYR HB2 H 1 3.17 0.021 . 2 . . . . 93 TYR HB2 . 16737 1 1068 . 1 1 93 93 TYR HB3 H 1 2.62 0.020 . 2 . . . . 93 TYR HB3 . 16737 1 1069 . 1 1 93 93 TYR HD1 H 1 7.05 0.005 . 3 . . . . 93 TYR HD1 . 16737 1 1070 . 1 1 93 93 TYR HD2 H 1 7.05 0.005 . 3 . . . . 93 TYR HD2 . 16737 1 1071 . 1 1 93 93 TYR HE1 H 1 6.75 0.000 . 3 . . . . 93 TYR HE1 . 16737 1 1072 . 1 1 93 93 TYR HE2 H 1 6.75 0.000 . 3 . . . . 93 TYR HE2 . 16737 1 1073 . 1 1 93 93 TYR C C 13 174.88 0.012 . 1 . . . . 93 TYR C . 16737 1 1074 . 1 1 93 93 TYR CA C 13 58.41 0.038 . 1 . . . . 93 TYR CA . 16737 1 1075 . 1 1 93 93 TYR CB C 13 40.54 0.066 . 1 . . . . 93 TYR CB . 16737 1 1076 . 1 1 93 93 TYR CD1 C 13 130.59 0.000 . 3 . . . . 93 TYR CD1 . 16737 1 1077 . 1 1 93 93 TYR CD2 C 13 130.59 0.000 . 3 . . . . 93 TYR CD2 . 16737 1 1078 . 1 1 93 93 TYR CE1 C 13 115.44 0.000 . 3 . . . . 93 TYR CE1 . 16737 1 1079 . 1 1 93 93 TYR CE2 C 13 115.44 0.000 . 3 . . . . 93 TYR CE2 . 16737 1 1080 . 1 1 93 93 TYR N N 15 127.21 0.034 . 1 . . . . 93 TYR N . 16737 1 1081 . 1 1 94 94 VAL H H 1 9.07 0.006 . 1 . . . . 94 VAL H . 16737 1 1082 . 1 1 94 94 VAL HA H 1 4.52 0.025 . 1 . . . . 94 VAL HA . 16737 1 1083 . 1 1 94 94 VAL HB H 1 1.96 0.032 . 1 . . . . 94 VAL HB . 16737 1 1084 . 1 1 94 94 VAL HG11 H 1 0.97 0.008 . 2 . . . . 94 VAL HG11 . 16737 1 1085 . 1 1 94 94 VAL HG12 H 1 0.97 0.008 . 2 . . . . 94 VAL HG12 . 16737 1 1086 . 1 1 94 94 VAL HG13 H 1 0.97 0.008 . 2 . . . . 94 VAL HG13 . 16737 1 1087 . 1 1 94 94 VAL HG21 H 1 0.49 0.008 . 2 . . . . 94 VAL HG21 . 16737 1 1088 . 1 1 94 94 VAL HG22 H 1 0.49 0.008 . 2 . . . . 94 VAL HG22 . 16737 1 1089 . 1 1 94 94 VAL HG23 H 1 0.49 0.008 . 2 . . . . 94 VAL HG23 . 16737 1 1090 . 1 1 94 94 VAL C C 13 174.59 0.010 . 1 . . . . 94 VAL C . 16737 1 1091 . 1 1 94 94 VAL CA C 13 61.94 0.121 . 1 . . . . 94 VAL CA . 16737 1 1092 . 1 1 94 94 VAL CB C 13 32.47 0.012 . 1 . . . . 94 VAL CB . 16737 1 1093 . 1 1 94 94 VAL CG1 C 13 16.82 0.006 . 2 . . . . 94 VAL CG1 . 16737 1 1094 . 1 1 94 94 VAL CG2 C 13 18.00 0.050 . 2 . . . . 94 VAL CG2 . 16737 1 1095 . 1 1 94 94 VAL N N 15 125.53 0.037 . 1 . . . . 94 VAL N . 16737 1 1096 . 1 1 95 95 LEU H H 1 9.48 0.014 . 1 . . . . 95 LEU H . 16737 1 1097 . 1 1 95 95 LEU HA H 1 5.37 0.016 . 1 . . . . 95 LEU HA . 16737 1 1098 . 1 1 95 95 LEU HB2 H 1 1.73 0.025 . 2 . . . . 95 LEU HB2 . 16737 1 1099 . 1 1 95 95 LEU HB3 H 1 1.39 0.019 . 2 . . . . 95 LEU HB3 . 16737 1 1100 . 1 1 95 95 LEU HD11 H 1 0.75 0.000 . 2 . . . . 95 LEU HD11 . 16737 1 1101 . 1 1 95 95 LEU HD12 H 1 0.75 0.000 . 2 . . . . 95 LEU HD12 . 16737 1 1102 . 1 1 95 95 LEU HD13 H 1 0.75 0.000 . 2 . . . . 95 LEU HD13 . 16737 1 1103 . 1 1 95 95 LEU HD21 H 1 0.71 0.000 . 2 . . . . 95 LEU HD21 . 16737 1 1104 . 1 1 95 95 LEU HD22 H 1 0.71 0.000 . 2 . . . . 95 LEU HD22 . 16737 1 1105 . 1 1 95 95 LEU HD23 H 1 0.71 0.000 . 2 . . . . 95 LEU HD23 . 16737 1 1106 . 1 1 95 95 LEU HG H 1 1.60 0.002 . 1 . . . . 95 LEU HG . 16737 1 1107 . 1 1 95 95 LEU C C 13 175.52 0.016 . 1 . . . . 95 LEU C . 16737 1 1108 . 1 1 95 95 LEU CA C 13 53.46 0.045 . 1 . . . . 95 LEU CA . 16737 1 1109 . 1 1 95 95 LEU CB C 13 44.55 0.045 . 1 . . . . 95 LEU CB . 16737 1 1110 . 1 1 95 95 LEU CD1 C 13 23.24 0.000 . 2 . . . . 95 LEU CD1 . 16737 1 1111 . 1 1 95 95 LEU CD2 C 13 23.14 0.000 . 2 . . . . 95 LEU CD2 . 16737 1 1112 . 1 1 95 95 LEU CG C 13 25.53 0.000 . 1 . . . . 95 LEU CG . 16737 1 1113 . 1 1 95 95 LEU N N 15 127.56 0.043 . 1 . . . . 95 LEU N . 16737 1 1114 . 1 1 96 96 ASN H H 1 9.08 0.005 . 1 . . . . 96 ASN H . 16737 1 1115 . 1 1 96 96 ASN HA H 1 4.87 0.003 . 1 . . . . 96 ASN HA . 16737 1 1116 . 1 1 96 96 ASN HB2 H 1 3.21 0.022 . 2 . . . . 96 ASN HB2 . 16737 1 1117 . 1 1 96 96 ASN HB3 H 1 2.55 0.021 . 2 . . . . 96 ASN HB3 . 16737 1 1118 . 1 1 96 96 ASN HD21 H 1 7.94 0.000 . 1 . . . . 96 ASN HD21 . 16737 1 1119 . 1 1 96 96 ASN HD22 H 1 7.48 0.000 . 1 . . . . 96 ASN HD22 . 16737 1 1120 . 1 1 96 96 ASN C C 13 173.95 0.010 . 1 . . . . 96 ASN C . 16737 1 1121 . 1 1 96 96 ASN CA C 13 51.49 0.030 . 1 . . . . 96 ASN CA . 16737 1 1122 . 1 1 96 96 ASN CB C 13 37.37 0.045 . 1 . . . . 96 ASN CB . 16737 1 1123 . 1 1 96 96 ASN N N 15 118.65 0.050 . 1 . . . . 96 ASN N . 16737 1 1124 . 1 1 96 96 ASN ND2 N 15 110.66 0.001 . 1 . . . . 96 ASN ND2 . 16737 1 1125 . 1 1 97 97 ARG H H 1 7.98 0.009 . 1 . . . . 97 ARG H . 16737 1 1126 . 1 1 97 97 ARG HA H 1 1.95 0.011 . 1 . . . . 97 ARG HA . 16737 1 1127 . 1 1 97 97 ARG HB2 H 1 1.31 0.033 . 2 . . . . 97 ARG HB2 . 16737 1 1128 . 1 1 97 97 ARG HB3 H 1 0.84 0.020 . 2 . . . . 97 ARG HB3 . 16737 1 1129 . 1 1 97 97 ARG HD2 H 1 2.89 0.010 . 2 . . . . 97 ARG HD2 . 16737 1 1130 . 1 1 97 97 ARG HD3 H 1 2.44 0.014 . 2 . . . . 97 ARG HD3 . 16737 1 1131 . 1 1 97 97 ARG HG2 H 1 1.00 0.008 . 1 . . . . 97 ARG HG2 . 16737 1 1132 . 1 1 97 97 ARG HG3 H 1 1.00 0.008 . 1 . . . . 97 ARG HG3 . 16737 1 1133 . 1 1 97 97 ARG C C 13 177.53 0.032 . 1 . . . . 97 ARG C . 16737 1 1134 . 1 1 97 97 ARG CA C 13 57.27 0.066 . 1 . . . . 97 ARG CA . 16737 1 1135 . 1 1 97 97 ARG CB C 13 32.06 0.043 . 1 . . . . 97 ARG CB . 16737 1 1136 . 1 1 97 97 ARG CD C 13 41.73 0.044 . 1 . . . . 97 ARG CD . 16737 1 1137 . 1 1 97 97 ARG N N 15 126.56 0.014 . 1 . . . . 97 ARG N . 16737 1 1138 . 1 1 98 98 ASP H H 1 7.78 0.013 . 1 . . . . 98 ASP H . 16737 1 1139 . 1 1 98 98 ASP HA H 1 4.51 0.026 . 1 . . . . 98 ASP HA . 16737 1 1140 . 1 1 98 98 ASP HB2 H 1 2.77 0.000 . 1 . . . . 98 ASP HB2 . 16737 1 1141 . 1 1 98 98 ASP HB3 H 1 2.77 0.000 . 1 . . . . 98 ASP HB3 . 16737 1 1142 . 1 1 98 98 ASP C C 13 177.20 0.019 . 1 . . . . 98 ASP C . 16737 1 1143 . 1 1 98 98 ASP CA C 13 56.58 0.120 . 1 . . . . 98 ASP CA . 16737 1 1144 . 1 1 98 98 ASP CB C 13 40.45 0.036 . 1 . . . . 98 ASP CB . 16737 1 1145 . 1 1 98 98 ASP N N 15 116.75 0.027 . 1 . . . . 98 ASP N . 16737 1 1146 . 1 1 99 99 LEU H H 1 7.31 0.013 . 1 . . . . 99 LEU H . 16737 1 1147 . 1 1 99 99 LEU HA H 1 4.72 0.018 . 1 . . . . 99 LEU HA . 16737 1 1148 . 1 1 99 99 LEU HB2 H 1 2.03 0.024 . 2 . . . . 99 LEU HB2 . 16737 1 1149 . 1 1 99 99 LEU HB3 H 1 1.87 0.016 . 2 . . . . 99 LEU HB3 . 16737 1 1150 . 1 1 99 99 LEU HD11 H 1 1.06 0.009 . 2 . . . . 99 LEU HD11 . 16737 1 1151 . 1 1 99 99 LEU HD12 H 1 1.06 0.009 . 2 . . . . 99 LEU HD12 . 16737 1 1152 . 1 1 99 99 LEU HD13 H 1 1.06 0.009 . 2 . . . . 99 LEU HD13 . 16737 1 1153 . 1 1 99 99 LEU HD21 H 1 0.93 0.014 . 2 . . . . 99 LEU HD21 . 16737 1 1154 . 1 1 99 99 LEU HD22 H 1 0.93 0.014 . 2 . . . . 99 LEU HD22 . 16737 1 1155 . 1 1 99 99 LEU HD23 H 1 0.93 0.014 . 2 . . . . 99 LEU HD23 . 16737 1 1156 . 1 1 99 99 LEU HG H 1 1.59 0.009 . 1 . . . . 99 LEU HG . 16737 1 1157 . 1 1 99 99 LEU C C 13 176.85 0.018 . 1 . . . . 99 LEU C . 16737 1 1158 . 1 1 99 99 LEU CA C 13 54.24 0.073 . 1 . . . . 99 LEU CA . 16737 1 1159 . 1 1 99 99 LEU CB C 13 44.05 0.054 . 1 . . . . 99 LEU CB . 16737 1 1160 . 1 1 99 99 LEU CD1 C 13 23.73 0.000 . 2 . . . . 99 LEU CD1 . 16737 1 1161 . 1 1 99 99 LEU CD2 C 13 19.68 0.024 . 2 . . . . 99 LEU CD2 . 16737 1 1162 . 1 1 99 99 LEU N N 15 117.71 0.021 . 1 . . . . 99 LEU N . 16737 1 1163 . 1 1 100 100 PHE H H 1 7.54 0.020 . 1 . . . . 100 PHE H . 16737 1 1164 . 1 1 100 100 PHE HA H 1 4.48 0.021 . 1 . . . . 100 PHE HA . 16737 1 1165 . 1 1 100 100 PHE HB2 H 1 3.46 0.012 . 1 . . . . 100 PHE HB2 . 16737 1 1166 . 1 1 100 100 PHE HB3 H 1 3.46 0.012 . 1 . . . . 100 PHE HB3 . 16737 1 1167 . 1 1 100 100 PHE HD1 H 1 7.09 0.006 . 3 . . . . 100 PHE HD1 . 16737 1 1168 . 1 1 100 100 PHE HD2 H 1 7.09 0.006 . 3 . . . . 100 PHE HD2 . 16737 1 1169 . 1 1 100 100 PHE HE1 H 1 7.11 0.000 . 3 . . . . 100 PHE HE1 . 16737 1 1170 . 1 1 100 100 PHE HE2 H 1 7.11 0.000 . 3 . . . . 100 PHE HE2 . 16737 1 1171 . 1 1 100 100 PHE C C 13 178.03 0.019 . 1 . . . . 100 PHE C . 16737 1 1172 . 1 1 100 100 PHE CA C 13 58.59 0.019 . 1 . . . . 100 PHE CA . 16737 1 1173 . 1 1 100 100 PHE CB C 13 35.89 0.136 . 1 . . . . 100 PHE CB . 16737 1 1174 . 1 1 100 100 PHE CD1 C 13 130.27 0.000 . 3 . . . . 100 PHE CD1 . 16737 1 1175 . 1 1 100 100 PHE CD2 C 13 130.27 0.000 . 3 . . . . 100 PHE CD2 . 16737 1 1176 . 1 1 100 100 PHE CE1 C 13 129.22 0.000 . 3 . . . . 100 PHE CE1 . 16737 1 1177 . 1 1 100 100 PHE CE2 C 13 129.22 0.000 . 3 . . . . 100 PHE CE2 . 16737 1 1178 . 1 1 100 100 PHE N N 15 119.94 0.024 . 1 . . . . 100 PHE N . 16737 1 1179 . 1 1 101 101 GLY H H 1 8.86 0.006 . 1 . . . . 101 GLY H . 16737 1 1180 . 1 1 101 101 GLY HA2 H 1 3.98 0.014 . 1 . . . . 101 GLY HA2 . 16737 1 1181 . 1 1 101 101 GLY HA3 H 1 3.98 0.014 . 1 . . . . 101 GLY HA3 . 16737 1 1182 . 1 1 101 101 GLY C C 13 176.81 0.014 . 1 . . . . 101 GLY C . 16737 1 1183 . 1 1 101 101 GLY CA C 13 47.25 0.028 . 1 . . . . 101 GLY CA . 16737 1 1184 . 1 1 101 101 GLY N N 15 108.44 0.045 . 1 . . . . 101 GLY N . 16737 1 1185 . 1 1 102 102 GLN H H 1 8.15 0.009 . 1 . . . . 102 GLN H . 16737 1 1186 . 1 1 102 102 GLN HA H 1 4.03 0.021 . 1 . . . . 102 GLN HA . 16737 1 1187 . 1 1 102 102 GLN HB2 H 1 2.06 0.017 . 2 . . . . 102 GLN HB2 . 16737 1 1188 . 1 1 102 102 GLN HB3 H 1 1.87 0.039 . 2 . . . . 102 GLN HB3 . 16737 1 1189 . 1 1 102 102 GLN HE21 H 1 7.24 0.000 . 1 . . . . 102 GLN HE21 . 16737 1 1190 . 1 1 102 102 GLN HE22 H 1 6.74 0.000 . 1 . . . . 102 GLN HE22 . 16737 1 1191 . 1 1 102 102 GLN HG2 H 1 2.02 0.000 . 2 . . . . 102 GLN HG2 . 16737 1 1192 . 1 1 102 102 GLN HG3 H 1 1.82 0.000 . 2 . . . . 102 GLN HG3 . 16737 1 1193 . 1 1 102 102 GLN C C 13 176.20 0.020 . 1 . . . . 102 GLN C . 16737 1 1194 . 1 1 102 102 GLN CA C 13 57.81 0.007 . 1 . . . . 102 GLN CA . 16737 1 1195 . 1 1 102 102 GLN CB C 13 28.62 0.015 . 1 . . . . 102 GLN CB . 16737 1 1196 . 1 1 102 102 GLN CG C 13 30.66 0.000 . 1 . . . . 102 GLN CG . 16737 1 1197 . 1 1 102 102 GLN N N 15 122.80 0.039 . 1 . . . . 102 GLN N . 16737 1 1198 . 1 1 102 102 GLN NE2 N 15 110.60 0.001 . 1 . . . . 102 GLN NE2 . 16737 1 1199 . 1 1 103 103 TYR H H 1 7.35 0.012 . 1 . . . . 103 TYR H . 16737 1 1200 . 1 1 103 103 TYR HA H 1 4.59 0.024 . 1 . . . . 103 TYR HA . 16737 1 1201 . 1 1 103 103 TYR HB2 H 1 3.46 0.028 . 2 . . . . 103 TYR HB2 . 16737 1 1202 . 1 1 103 103 TYR HB3 H 1 2.34 0.022 . 2 . . . . 103 TYR HB3 . 16737 1 1203 . 1 1 103 103 TYR HD1 H 1 7.29 0.029 . 3 . . . . 103 TYR HD1 . 16737 1 1204 . 1 1 103 103 TYR HD2 H 1 7.29 0.029 . 3 . . . . 103 TYR HD2 . 16737 1 1205 . 1 1 103 103 TYR HE1 H 1 6.96 0.004 . 3 . . . . 103 TYR HE1 . 16737 1 1206 . 1 1 103 103 TYR HE2 H 1 6.96 0.004 . 3 . . . . 103 TYR HE2 . 16737 1 1207 . 1 1 103 103 TYR C C 13 173.05 0.009 . 1 . . . . 103 TYR C . 16737 1 1208 . 1 1 103 103 TYR CA C 13 58.79 0.086 . 1 . . . . 103 TYR CA . 16737 1 1209 . 1 1 103 103 TYR CB C 13 38.74 0.057 . 1 . . . . 103 TYR CB . 16737 1 1210 . 1 1 103 103 TYR CD1 C 13 130.70 0.000 . 3 . . . . 103 TYR CD1 . 16737 1 1211 . 1 1 103 103 TYR CD2 C 13 130.70 0.000 . 3 . . . . 103 TYR CD2 . 16737 1 1212 . 1 1 103 103 TYR CE1 C 13 115.41 0.000 . 3 . . . . 103 TYR CE1 . 16737 1 1213 . 1 1 103 103 TYR CE2 C 13 115.41 0.000 . 3 . . . . 103 TYR CE2 . 16737 1 1214 . 1 1 103 103 TYR N N 15 115.96 0.036 . 1 . . . . 103 TYR N . 16737 1 1215 . 1 1 104 104 SER H H 1 7.74 0.012 . 1 . . . . 104 SER H . 16737 1 1216 . 1 1 104 104 SER HA H 1 4.12 0.000 . 1 . . . . 104 SER HA . 16737 1 1217 . 1 1 104 104 SER HB2 H 1 3.84 0.000 . 1 . . . . 104 SER HB2 . 16737 1 1218 . 1 1 104 104 SER HB3 H 1 3.84 0.000 . 1 . . . . 104 SER HB3 . 16737 1 1219 . 1 1 104 104 SER C C 13 171.70 0.000 . 1 . . . . 104 SER C . 16737 1 1220 . 1 1 104 104 SER CA C 13 58.80 0.090 . 1 . . . . 104 SER CA . 16737 1 1221 . 1 1 104 104 SER CB C 13 61.58 0.077 . 1 . . . . 104 SER CB . 16737 1 1222 . 1 1 104 104 SER N N 15 113.59 0.034 . 1 . . . . 104 SER N . 16737 1 1223 . 1 1 105 105 ILE H H 1 7.90 0.006 . 1 . . . . 105 ILE H . 16737 1 1224 . 1 1 105 105 ILE HA H 1 4.37 0.021 . 1 . . . . 105 ILE HA . 16737 1 1225 . 1 1 105 105 ILE HB H 1 1.12 0.008 . 1 . . . . 105 ILE HB . 16737 1 1226 . 1 1 105 105 ILE HD11 H 1 0.60 0.018 . 1 . . . . 105 ILE HD11 . 16737 1 1227 . 1 1 105 105 ILE HD12 H 1 0.60 0.018 . 1 . . . . 105 ILE HD12 . 16737 1 1228 . 1 1 105 105 ILE HD13 H 1 0.60 0.018 . 1 . . . . 105 ILE HD13 . 16737 1 1229 . 1 1 105 105 ILE HG12 H 1 1.39 0.003 . 2 . . . . 105 ILE HG12 . 16737 1 1230 . 1 1 105 105 ILE HG13 H 1 0.77 0.012 . 2 . . . . 105 ILE HG13 . 16737 1 1231 . 1 1 105 105 ILE HG21 H 1 -0.10 0.005 . 1 . . . . 105 ILE HG21 . 16737 1 1232 . 1 1 105 105 ILE HG22 H 1 -0.10 0.005 . 1 . . . . 105 ILE HG22 . 16737 1 1233 . 1 1 105 105 ILE HG23 H 1 -0.10 0.005 . 1 . . . . 105 ILE HG23 . 16737 1 1234 . 1 1 105 105 ILE C C 13 175.16 0.011 . 1 . . . . 105 ILE C . 16737 1 1235 . 1 1 105 105 ILE CA C 13 59.03 0.053 . 1 . . . . 105 ILE CA . 16737 1 1236 . 1 1 105 105 ILE CB C 13 38.73 0.058 . 1 . . . . 105 ILE CB . 16737 1 1237 . 1 1 105 105 ILE CD1 C 13 12.57 0.032 . 1 . . . . 105 ILE CD1 . 16737 1 1238 . 1 1 105 105 ILE CG1 C 13 25.22 0.017 . 1 . . . . 105 ILE CG1 . 16737 1 1239 . 1 1 105 105 ILE CG2 C 13 14.11 0.067 . 1 . . . . 105 ILE CG2 . 16737 1 1240 . 1 1 105 105 ILE N N 15 119.04 0.022 . 1 . . . . 105 ILE N . 16737 1 1241 . 1 1 106 106 PHE H H 1 8.53 0.008 . 1 . . . . 106 PHE H . 16737 1 1242 . 1 1 106 106 PHE HA H 1 4.62 0.000 . 1 . . . . 106 PHE HA . 16737 1 1243 . 1 1 106 106 PHE HB2 H 1 2.85 0.005 . 1 . . . . 106 PHE HB2 . 16737 1 1244 . 1 1 106 106 PHE HB3 H 1 2.85 0.005 . 1 . . . . 106 PHE HB3 . 16737 1 1245 . 1 1 106 106 PHE HD1 H 1 7.12 0.052 . 3 . . . . 106 PHE HD1 . 16737 1 1246 . 1 1 106 106 PHE HD2 H 1 7.12 0.052 . 3 . . . . 106 PHE HD2 . 16737 1 1247 . 1 1 106 106 PHE HE1 H 1 7.09 0.043 . 3 . . . . 106 PHE HE1 . 16737 1 1248 . 1 1 106 106 PHE HE2 H 1 7.09 0.043 . 3 . . . . 106 PHE HE2 . 16737 1 1249 . 1 1 106 106 PHE C C 13 173.76 0.002 . 1 . . . . 106 PHE C . 16737 1 1250 . 1 1 106 106 PHE CA C 13 56.76 0.035 . 1 . . . . 106 PHE CA . 16737 1 1251 . 1 1 106 106 PHE CB C 13 41.24 0.031 . 1 . . . . 106 PHE CB . 16737 1 1252 . 1 1 106 106 PHE CD1 C 13 130.21 0.000 . 3 . . . . 106 PHE CD1 . 16737 1 1253 . 1 1 106 106 PHE CD2 C 13 130.21 0.000 . 3 . . . . 106 PHE CD2 . 16737 1 1254 . 1 1 106 106 PHE CE1 C 13 128.84 0.000 . 3 . . . . 106 PHE CE1 . 16737 1 1255 . 1 1 106 106 PHE CE2 C 13 128.84 0.000 . 3 . . . . 106 PHE CE2 . 16737 1 1256 . 1 1 106 106 PHE N N 15 129.47 0.027 . 1 . . . . 106 PHE N . 16737 1 1257 . 1 1 107 107 GLU H H 1 8.05 0.005 . 1 . . . . 107 GLU H . 16737 1 1258 . 1 1 107 107 GLU HA H 1 5.51 0.035 . 1 . . . . 107 GLU HA . 16737 1 1259 . 1 1 107 107 GLU HB2 H 1 1.89 0.000 . 2 . . . . 107 GLU HB2 . 16737 1 1260 . 1 1 107 107 GLU HB3 H 1 1.80 0.030 . 2 . . . . 107 GLU HB3 . 16737 1 1261 . 1 1 107 107 GLU HG2 H 1 2.24 0.004 . 2 . . . . 107 GLU HG2 . 16737 1 1262 . 1 1 107 107 GLU HG3 H 1 2.09 0.008 . 2 . . . . 107 GLU HG3 . 16737 1 1263 . 1 1 107 107 GLU C C 13 174.46 0.005 . 1 . . . . 107 GLU C . 16737 1 1264 . 1 1 107 107 GLU CA C 13 53.74 0.045 . 1 . . . . 107 GLU CA . 16737 1 1265 . 1 1 107 107 GLU CB C 13 34.76 0.083 . 1 . . . . 107 GLU CB . 16737 1 1266 . 1 1 107 107 GLU CG C 13 32.82 0.017 . 1 . . . . 107 GLU CG . 16737 1 1267 . 1 1 107 107 GLU N N 15 119.92 0.036 . 1 . . . . 107 GLU N . 16737 1 1268 . 1 1 108 108 TYR H H 1 8.69 0.034 . 1 . . . . 108 TYR H . 16737 1 1269 . 1 1 108 108 TYR HA H 1 4.72 0.041 . 1 . . . . 108 TYR HA . 16737 1 1270 . 1 1 108 108 TYR HB2 H 1 2.82 0.004 . 1 . . . . 108 TYR HB2 . 16737 1 1271 . 1 1 108 108 TYR HB3 H 1 2.82 0.004 . 1 . . . . 108 TYR HB3 . 16737 1 1272 . 1 1 108 108 TYR HD1 H 1 7.15 0.012 . 3 . . . . 108 TYR HD1 . 16737 1 1273 . 1 1 108 108 TYR HD2 H 1 7.15 0.012 . 3 . . . . 108 TYR HD2 . 16737 1 1274 . 1 1 108 108 TYR HE1 H 1 6.94 0.018 . 3 . . . . 108 TYR HE1 . 16737 1 1275 . 1 1 108 108 TYR HE2 H 1 6.94 0.018 . 3 . . . . 108 TYR HE2 . 16737 1 1276 . 1 1 108 108 TYR C C 13 173.43 0.007 . 1 . . . . 108 TYR C . 16737 1 1277 . 1 1 108 108 TYR CA C 13 57.41 0.074 . 1 . . . . 108 TYR CA . 16737 1 1278 . 1 1 108 108 TYR CB C 13 41.07 0.051 . 1 . . . . 108 TYR CB . 16737 1 1279 . 1 1 108 108 TYR CD1 C 13 130.61 0.000 . 3 . . . . 108 TYR CD1 . 16737 1 1280 . 1 1 108 108 TYR CD2 C 13 130.61 0.000 . 3 . . . . 108 TYR CD2 . 16737 1 1281 . 1 1 108 108 TYR CE1 C 13 115.41 0.000 . 3 . . . . 108 TYR CE1 . 16737 1 1282 . 1 1 108 108 TYR CE2 C 13 115.41 0.000 . 3 . . . . 108 TYR CE2 . 16737 1 1283 . 1 1 108 108 TYR N N 15 121.72 0.039 . 1 . . . . 108 TYR N . 16737 1 1284 . 1 1 109 109 GLU H H 1 8.58 0.003 . 1 . . . . 109 GLU H . 16737 1 1285 . 1 1 109 109 GLU HA H 1 5.07 0.005 . 1 . . . . 109 GLU HA . 16737 1 1286 . 1 1 109 109 GLU HB2 H 1 1.88 0.000 . 2 . . . . 109 GLU HB2 . 16737 1 1287 . 1 1 109 109 GLU HB3 H 1 1.80 0.008 . 2 . . . . 109 GLU HB3 . 16737 1 1288 . 1 1 109 109 GLU HG2 H 1 2.07 0.002 . 2 . . . . 109 GLU HG2 . 16737 1 1289 . 1 1 109 109 GLU HG3 H 1 2.01 0.000 . 2 . . . . 109 GLU HG3 . 16737 1 1290 . 1 1 109 109 GLU C C 13 174.18 0.007 . 1 . . . . 109 GLU C . 16737 1 1291 . 1 1 109 109 GLU CA C 13 55.35 0.038 . 1 . . . . 109 GLU CA . 16737 1 1292 . 1 1 109 109 GLU CB C 13 33.20 0.031 . 1 . . . . 109 GLU CB . 16737 1 1293 . 1 1 109 109 GLU CG C 13 34.21 0.000 . 1 . . . . 109 GLU CG . 16737 1 1294 . 1 1 109 109 GLU N N 15 127.68 0.022 . 1 . . . . 109 GLU N . 16737 1 1295 . 1 1 110 110 VAL H H 1 8.67 0.019 . 1 . . . . 110 VAL H . 16737 1 1296 . 1 1 110 110 VAL HA H 1 4.42 0.007 . 1 . . . . 110 VAL HA . 16737 1 1297 . 1 1 110 110 VAL HB H 1 2.12 0.016 . 1 . . . . 110 VAL HB . 16737 1 1298 . 1 1 110 110 VAL HG11 H 1 0.88 0.000 . 2 . . . . 110 VAL HG11 . 16737 1 1299 . 1 1 110 110 VAL HG12 H 1 0.88 0.000 . 2 . . . . 110 VAL HG12 . 16737 1 1300 . 1 1 110 110 VAL HG13 H 1 0.88 0.000 . 2 . . . . 110 VAL HG13 . 16737 1 1301 . 1 1 110 110 VAL HG21 H 1 0.86 0.001 . 2 . . . . 110 VAL HG21 . 16737 1 1302 . 1 1 110 110 VAL HG22 H 1 0.86 0.001 . 2 . . . . 110 VAL HG22 . 16737 1 1303 . 1 1 110 110 VAL HG23 H 1 0.86 0.001 . 2 . . . . 110 VAL HG23 . 16737 1 1304 . 1 1 110 110 VAL C C 13 174.44 0.012 . 1 . . . . 110 VAL C . 16737 1 1305 . 1 1 110 110 VAL CA C 13 60.62 0.024 . 1 . . . . 110 VAL CA . 16737 1 1306 . 1 1 110 110 VAL CB C 13 35.70 0.116 . 1 . . . . 110 VAL CB . 16737 1 1307 . 1 1 110 110 VAL CG1 C 13 17.69 0.031 . 2 . . . . 110 VAL CG1 . 16737 1 1308 . 1 1 110 110 VAL CG2 C 13 18.52 0.328 . 2 . . . . 110 VAL CG2 . 16737 1 1309 . 1 1 110 110 VAL N N 15 122.58 0.045 . 1 . . . . 110 VAL N . 16737 1 1310 . 1 1 111 111 GLU H H 1 8.56 0.004 . 1 . . . . 111 GLU H . 16737 1 1311 . 1 1 111 111 GLU HA H 1 4.33 0.014 . 1 . . . . 111 GLU HA . 16737 1 1312 . 1 1 111 111 GLU HB2 H 1 2.05 0.005 . 2 . . . . 111 GLU HB2 . 16737 1 1313 . 1 1 111 111 GLU HB3 H 1 1.93 0.010 . 2 . . . . 111 GLU HB3 . 16737 1 1314 . 1 1 111 111 GLU HG2 H 1 2.25 0.002 . 1 . . . . 111 GLU HG2 . 16737 1 1315 . 1 1 111 111 GLU HG3 H 1 2.25 0.002 . 1 . . . . 111 GLU HG3 . 16737 1 1316 . 1 1 111 111 GLU C C 13 175.31 0.011 . 1 . . . . 111 GLU C . 16737 1 1317 . 1 1 111 111 GLU CA C 13 56.94 0.032 . 1 . . . . 111 GLU CA . 16737 1 1318 . 1 1 111 111 GLU CB C 13 30.65 0.036 . 1 . . . . 111 GLU CB . 16737 1 1319 . 1 1 111 111 GLU N N 15 125.18 0.042 . 1 . . . . 111 GLU N . 16737 1 1320 . 1 1 112 112 HIS H H 1 8.71 0.007 . 1 . . . . 112 HIS H . 16737 1 1321 . 1 1 112 112 HIS HA H 1 4.57 0.009 . 1 . . . . 112 HIS HA . 16737 1 1322 . 1 1 112 112 HIS HB2 H 1 3.28 0.013 . 2 . . . . 112 HIS HB2 . 16737 1 1323 . 1 1 112 112 HIS HB3 H 1 2.73 0.027 . 2 . . . . 112 HIS HB3 . 16737 1 1324 . 1 1 112 112 HIS HD2 H 1 6.95 0.001 . 1 . . . . 112 HIS HD2 . 16737 1 1325 . 1 1 112 112 HIS C C 13 174.66 0.000 . 1 . . . . 112 HIS C . 16737 1 1326 . 1 1 112 112 HIS CA C 13 55.80 0.060 . 1 . . . . 112 HIS CA . 16737 1 1327 . 1 1 112 112 HIS CB C 13 30.79 0.005 . 1 . . . . 112 HIS CB . 16737 1 1328 . 1 1 112 112 HIS CD2 C 13 117.13 0.000 . 1 . . . . 112 HIS CD2 . 16737 1 1329 . 1 1 112 112 HIS N N 15 126.22 0.058 . 1 . . . . 112 HIS N . 16737 1 1330 . 1 1 113 113 PRO HA H 1 4.36 0.000 . 1 . . . . 113 PRO HA . 16737 1 1331 . 1 1 113 113 PRO HB2 H 1 2.31 0.001 . 2 . . . . 113 PRO HB2 . 16737 1 1332 . 1 1 113 113 PRO HB3 H 1 1.92 0.000 . 2 . . . . 113 PRO HB3 . 16737 1 1333 . 1 1 113 113 PRO HD2 H 1 3.64 0.001 . 1 . . . . 113 PRO HD2 . 16737 1 1334 . 1 1 113 113 PRO HD3 H 1 3.64 0.001 . 1 . . . . 113 PRO HD3 . 16737 1 1335 . 1 1 113 113 PRO HG2 H 1 2.01 0.000 . 1 . . . . 113 PRO HG2 . 16737 1 1336 . 1 1 113 113 PRO HG3 H 1 2.01 0.000 . 1 . . . . 113 PRO HG3 . 16737 1 1337 . 1 1 113 113 PRO C C 13 177.51 0.018 . 1 . . . . 113 PRO C . 16737 1 1338 . 1 1 113 113 PRO CA C 13 64.66 0.107 . 1 . . . . 113 PRO CA . 16737 1 1339 . 1 1 113 113 PRO CB C 13 32.58 0.007 . 1 . . . . 113 PRO CB . 16737 1 1340 . 1 1 114 114 GLU H H 1 10.05 0.011 . 1 . . . . 114 GLU H . 16737 1 1341 . 1 1 114 114 GLU HA H 1 4.46 0.013 . 1 . . . . 114 GLU HA . 16737 1 1342 . 1 1 114 114 GLU HB2 H 1 2.22 0.010 . 2 . . . . 114 GLU HB2 . 16737 1 1343 . 1 1 114 114 GLU HB3 H 1 2.06 0.000 . 2 . . . . 114 GLU HB3 . 16737 1 1344 . 1 1 114 114 GLU HG2 H 1 2.31 0.021 . 1 . . . . 114 GLU HG2 . 16737 1 1345 . 1 1 114 114 GLU HG3 H 1 2.31 0.021 . 1 . . . . 114 GLU HG3 . 16737 1 1346 . 1 1 114 114 GLU C C 13 176.46 0.016 . 1 . . . . 114 GLU C . 16737 1 1347 . 1 1 114 114 GLU CA C 13 56.88 0.038 . 1 . . . . 114 GLU CA . 16737 1 1348 . 1 1 114 114 GLU CB C 13 30.61 0.048 . 1 . . . . 114 GLU CB . 16737 1 1349 . 1 1 114 114 GLU CG C 13 34.13 0.000 . 1 . . . . 114 GLU CG . 16737 1 1350 . 1 1 114 114 GLU N N 15 118.32 0.018 . 1 . . . . 114 GLU N . 16737 1 1351 . 1 1 115 115 ASN H H 1 7.75 0.007 . 1 . . . . 115 ASN H . 16737 1 1352 . 1 1 115 115 ASN HA H 1 5.04 0.008 . 1 . . . . 115 ASN HA . 16737 1 1353 . 1 1 115 115 ASN HB2 H 1 2.75 0.004 . 1 . . . . 115 ASN HB2 . 16737 1 1354 . 1 1 115 115 ASN HB3 H 1 2.75 0.004 . 1 . . . . 115 ASN HB3 . 16737 1 1355 . 1 1 115 115 ASN HD21 H 1 7.71 0.000 . 1 . . . . 115 ASN HD21 . 16737 1 1356 . 1 1 115 115 ASN HD22 H 1 7.14 0.000 . 1 . . . . 115 ASN HD22 . 16737 1 1357 . 1 1 115 115 ASN C C 13 172.30 0.000 . 1 . . . . 115 ASN C . 16737 1 1358 . 1 1 115 115 ASN CA C 13 50.89 0.035 . 1 . . . . 115 ASN CA . 16737 1 1359 . 1 1 115 115 ASN CB C 13 39.06 0.002 . 1 . . . . 115 ASN CB . 16737 1 1360 . 1 1 115 115 ASN N N 15 115.89 0.022 . 1 . . . . 115 ASN N . 16737 1 1361 . 1 1 115 115 ASN ND2 N 15 112.77 0.006 . 1 . . . . 115 ASN ND2 . 16737 1 1362 . 1 1 116 116 PRO HA H 1 4.62 0.004 . 1 . . . . 116 PRO HA . 16737 1 1363 . 1 1 116 116 PRO HB2 H 1 2.35 0.004 . 2 . . . . 116 PRO HB2 . 16737 1 1364 . 1 1 116 116 PRO HB3 H 1 1.98 0.000 . 2 . . . . 116 PRO HB3 . 16737 1 1365 . 1 1 116 116 PRO HD2 H 1 3.83 0.000 . 2 . . . . 116 PRO HD2 . 16737 1 1366 . 1 1 116 116 PRO HD3 H 1 3.66 0.000 . 2 . . . . 116 PRO HD3 . 16737 1 1367 . 1 1 116 116 PRO HG2 H 1 2.03 0.000 . 1 . . . . 116 PRO HG2 . 16737 1 1368 . 1 1 116 116 PRO HG3 H 1 2.03 0.000 . 1 . . . . 116 PRO HG3 . 16737 1 1369 . 1 1 116 116 PRO C C 13 176.37 0.013 . 1 . . . . 116 PRO C . 16737 1 1370 . 1 1 116 116 PRO CA C 13 64.26 0.078 . 1 . . . . 116 PRO CA . 16737 1 1371 . 1 1 116 116 PRO CB C 13 32.50 0.065 . 1 . . . . 116 PRO CB . 16737 1 1372 . 1 1 117 117 ASN H H 1 8.07 0.005 . 1 . . . . 117 ASN H . 16737 1 1373 . 1 1 117 117 ASN HA H 1 4.74 0.045 . 1 . . . . 117 ASN HA . 16737 1 1374 . 1 1 117 117 ASN HB2 H 1 2.80 0.025 . 1 . . . . 117 ASN HB2 . 16737 1 1375 . 1 1 117 117 ASN HB3 H 1 2.80 0.025 . 1 . . . . 117 ASN HB3 . 16737 1 1376 . 1 1 117 117 ASN HD21 H 1 7.74 0.000 . 1 . . . . 117 ASN HD21 . 16737 1 1377 . 1 1 117 117 ASN HD22 H 1 7.05 0.000 . 1 . . . . 117 ASN HD22 . 16737 1 1378 . 1 1 117 117 ASN C C 13 174.68 0.000 . 1 . . . . 117 ASN C . 16737 1 1379 . 1 1 117 117 ASN CA C 13 54.05 0.033 . 1 . . . . 117 ASN CA . 16737 1 1380 . 1 1 117 117 ASN CB C 13 39.30 0.039 . 1 . . . . 117 ASN CB . 16737 1 1381 . 1 1 117 117 ASN N N 15 115.86 0.012 . 1 . . . . 117 ASN N . 16737 1 1382 . 1 1 117 117 ASN ND2 N 15 113.99 0.000 . 1 . . . . 117 ASN ND2 . 16737 1 1383 . 1 1 118 118 GLU H H 1 8.16 0.021 . 1 . . . . 118 GLU H . 16737 1 1384 . 1 1 118 118 GLU HA H 1 4.76 0.019 . 1 . . . . 118 GLU HA . 16737 1 1385 . 1 1 118 118 GLU HB2 H 1 1.72 0.036 . 1 . . . . 118 GLU HB2 . 16737 1 1386 . 1 1 118 118 GLU HB3 H 1 1.72 0.036 . 1 . . . . 118 GLU HB3 . 16737 1 1387 . 1 1 118 118 GLU HG2 H 1 2.08 0.000 . 1 . . . . 118 GLU HG2 . 16737 1 1388 . 1 1 118 118 GLU HG3 H 1 2.08 0.000 . 1 . . . . 118 GLU HG3 . 16737 1 1389 . 1 1 118 118 GLU C C 13 174.76 0.010 . 1 . . . . 118 GLU C . 16737 1 1390 . 1 1 118 118 GLU CA C 13 54.53 0.065 . 1 . . . . 118 GLU CA . 16737 1 1391 . 1 1 118 118 GLU CB C 13 31.21 0.078 . 1 . . . . 118 GLU CB . 16737 1 1392 . 1 1 118 118 GLU N N 15 120.80 0.018 . 1 . . . . 118 GLU N . 16737 1 1393 . 1 1 119 119 LYS H H 1 8.61 0.019 . 1 . . . . 119 LYS H . 16737 1 1394 . 1 1 119 119 LYS HA H 1 5.12 0.006 . 1 . . . . 119 LYS HA . 16737 1 1395 . 1 1 119 119 LYS HB2 H 1 1.77 0.010 . 1 . . . . 119 LYS HB2 . 16737 1 1396 . 1 1 119 119 LYS HB3 H 1 1.77 0.010 . 1 . . . . 119 LYS HB3 . 16737 1 1397 . 1 1 119 119 LYS HD2 H 1 1.57 0.000 . 1 . . . . 119 LYS HD2 . 16737 1 1398 . 1 1 119 119 LYS HD3 H 1 1.57 0.000 . 1 . . . . 119 LYS HD3 . 16737 1 1399 . 1 1 119 119 LYS HE2 H 1 2.89 0.000 . 1 . . . . 119 LYS HE2 . 16737 1 1400 . 1 1 119 119 LYS HE3 H 1 2.89 0.000 . 1 . . . . 119 LYS HE3 . 16737 1 1401 . 1 1 119 119 LYS HG2 H 1 1.39 0.002 . 1 . . . . 119 LYS HG2 . 16737 1 1402 . 1 1 119 119 LYS HG3 H 1 1.39 0.002 . 1 . . . . 119 LYS HG3 . 16737 1 1403 . 1 1 119 119 LYS C C 13 176.24 0.015 . 1 . . . . 119 LYS C . 16737 1 1404 . 1 1 119 119 LYS CA C 13 54.96 0.046 . 1 . . . . 119 LYS CA . 16737 1 1405 . 1 1 119 119 LYS CB C 13 35.17 0.104 . 1 . . . . 119 LYS CB . 16737 1 1406 . 1 1 119 119 LYS N N 15 119.16 0.071 . 1 . . . . 119 LYS N . 16737 1 1407 . 1 1 120 120 GLU H H 1 8.96 0.008 . 1 . . . . 120 GLU H . 16737 1 1408 . 1 1 120 120 GLU HA H 1 5.17 0.022 . 1 . . . . 120 GLU HA . 16737 1 1409 . 1 1 120 120 GLU HB2 H 1 2.06 0.000 . 2 . . . . 120 GLU HB2 . 16737 1 1410 . 1 1 120 120 GLU HB3 H 1 1.80 0.030 . 2 . . . . 120 GLU HB3 . 16737 1 1411 . 1 1 120 120 GLU HG2 H 1 2.33 0.002 . 2 . . . . 120 GLU HG2 . 16737 1 1412 . 1 1 120 120 GLU HG3 H 1 2.14 0.006 . 2 . . . . 120 GLU HG3 . 16737 1 1413 . 1 1 120 120 GLU C C 13 174.85 0.015 . 1 . . . . 120 GLU C . 16737 1 1414 . 1 1 120 120 GLU CA C 13 55.52 0.072 . 1 . . . . 120 GLU CA . 16737 1 1415 . 1 1 120 120 GLU CB C 13 32.08 0.082 . 1 . . . . 120 GLU CB . 16737 1 1416 . 1 1 120 120 GLU CG C 13 33.65 0.021 . 1 . . . . 120 GLU CG . 16737 1 1417 . 1 1 120 120 GLU N N 15 125.40 0.017 . 1 . . . . 120 GLU N . 16737 1 1418 . 1 1 121 121 VAL H H 1 8.69 0.011 . 1 . . . . 121 VAL H . 16737 1 1419 . 1 1 121 121 VAL HA H 1 4.96 0.006 . 1 . . . . 121 VAL HA . 16737 1 1420 . 1 1 121 121 VAL HB H 1 1.99 0.015 . 1 . . . . 121 VAL HB . 16737 1 1421 . 1 1 121 121 VAL HG11 H 1 0.78 0.005 . 2 . . . . 121 VAL HG11 . 16737 1 1422 . 1 1 121 121 VAL HG12 H 1 0.78 0.005 . 2 . . . . 121 VAL HG12 . 16737 1 1423 . 1 1 121 121 VAL HG13 H 1 0.78 0.005 . 2 . . . . 121 VAL HG13 . 16737 1 1424 . 1 1 121 121 VAL HG21 H 1 0.73 0.008 . 2 . . . . 121 VAL HG21 . 16737 1 1425 . 1 1 121 121 VAL HG22 H 1 0.73 0.008 . 2 . . . . 121 VAL HG22 . 16737 1 1426 . 1 1 121 121 VAL HG23 H 1 0.73 0.008 . 2 . . . . 121 VAL HG23 . 16737 1 1427 . 1 1 121 121 VAL C C 13 176.26 0.016 . 1 . . . . 121 VAL C . 16737 1 1428 . 1 1 121 121 VAL CA C 13 61.06 0.029 . 1 . . . . 121 VAL CA . 16737 1 1429 . 1 1 121 121 VAL CB C 13 32.59 0.122 . 1 . . . . 121 VAL CB . 16737 1 1430 . 1 1 121 121 VAL CG1 C 13 18.79 0.103 . 2 . . . . 121 VAL CG1 . 16737 1 1431 . 1 1 121 121 VAL CG2 C 13 19.04 0.003 . 2 . . . . 121 VAL CG2 . 16737 1 1432 . 1 1 121 121 VAL N N 15 128.72 0.043 . 1 . . . . 121 VAL N . 16737 1 1433 . 1 1 122 122 THR H H 1 9.37 0.016 . 1 . . . . 122 THR H . 16737 1 1434 . 1 1 122 122 THR HA H 1 5.19 0.037 . 1 . . . . 122 THR HA . 16737 1 1435 . 1 1 122 122 THR HB H 1 3.89 0.000 . 1 . . . . 122 THR HB . 16737 1 1436 . 1 1 122 122 THR HG21 H 1 1.05 0.000 . 1 . . . . 122 THR HG21 . 16737 1 1437 . 1 1 122 122 THR HG22 H 1 1.05 0.000 . 1 . . . . 122 THR HG22 . 16737 1 1438 . 1 1 122 122 THR HG23 H 1 1.05 0.000 . 1 . . . . 122 THR HG23 . 16737 1 1439 . 1 1 122 122 THR C C 13 174.02 0.009 . 1 . . . . 122 THR C . 16737 1 1440 . 1 1 122 122 THR CA C 13 61.55 0.102 . 1 . . . . 122 THR CA . 16737 1 1441 . 1 1 122 122 THR CB C 13 69.63 0.100 . 1 . . . . 122 THR CB . 16737 1 1442 . 1 1 122 122 THR CG2 C 13 20.25 0.000 . 1 . . . . 122 THR CG2 . 16737 1 1443 . 1 1 122 122 THR N N 15 128.39 0.114 . 1 . . . . 122 THR N . 16737 1 1444 . 1 1 123 123 ILE H H 1 9.10 0.011 . 1 . . . . 123 ILE H . 16737 1 1445 . 1 1 123 123 ILE HA H 1 6.02 0.011 . 1 . . . . 123 ILE HA . 16737 1 1446 . 1 1 123 123 ILE HB H 1 1.49 0.002 . 1 . . . . 123 ILE HB . 16737 1 1447 . 1 1 123 123 ILE HD11 H 1 0.41 0.002 . 1 . . . . 123 ILE HD11 . 16737 1 1448 . 1 1 123 123 ILE HD12 H 1 0.41 0.002 . 1 . . . . 123 ILE HD12 . 16737 1 1449 . 1 1 123 123 ILE HD13 H 1 0.41 0.002 . 1 . . . . 123 ILE HD13 . 16737 1 1450 . 1 1 123 123 ILE HG12 H 1 1.15 0.009 . 1 . . . . 123 ILE HG12 . 16737 1 1451 . 1 1 123 123 ILE HG13 H 1 1.15 0.009 . 1 . . . . 123 ILE HG13 . 16737 1 1452 . 1 1 123 123 ILE HG21 H 1 0.78 0.010 . 1 . . . . 123 ILE HG21 . 16737 1 1453 . 1 1 123 123 ILE HG22 H 1 0.78 0.010 . 1 . . . . 123 ILE HG22 . 16737 1 1454 . 1 1 123 123 ILE HG23 H 1 0.78 0.010 . 1 . . . . 123 ILE HG23 . 16737 1 1455 . 1 1 123 123 ILE C C 13 174.39 0.023 . 1 . . . . 123 ILE C . 16737 1 1456 . 1 1 123 123 ILE CA C 13 58.54 0.090 . 1 . . . . 123 ILE CA . 16737 1 1457 . 1 1 123 123 ILE CB C 13 41.89 0.059 . 1 . . . . 123 ILE CB . 16737 1 1458 . 1 1 123 123 ILE CD1 C 13 11.71 0.101 . 1 . . . . 123 ILE CD1 . 16737 1 1459 . 1 1 123 123 ILE CG1 C 13 62.73 0.087 . 1 . . . . 123 ILE CG1 . 16737 1 1460 . 1 1 123 123 ILE CG2 C 13 15.26 0.001 . 1 . . . . 123 ILE CG2 . 16737 1 1461 . 1 1 123 123 ILE N N 15 119.27 0.088 . 1 . . . . 123 ILE N . 16737 1 1462 . 1 1 124 124 ARG H H 1 8.30 0.011 . 1 . . . . 124 ARG H . 16737 1 1463 . 1 1 124 124 ARG HA H 1 4.72 0.011 . 1 . . . . 124 ARG HA . 16737 1 1464 . 1 1 124 124 ARG HB2 H 1 1.63 0.011 . 1 . . . . 124 ARG HB2 . 16737 1 1465 . 1 1 124 124 ARG HB3 H 1 1.63 0.011 . 1 . . . . 124 ARG HB3 . 16737 1 1466 . 1 1 124 124 ARG HD2 H 1 2.93 0.008 . 1 . . . . 124 ARG HD2 . 16737 1 1467 . 1 1 124 124 ARG HD3 H 1 2.93 0.008 . 1 . . . . 124 ARG HD3 . 16737 1 1468 . 1 1 124 124 ARG HG2 H 1 1.43 0.006 . 1 . . . . 124 ARG HG2 . 16737 1 1469 . 1 1 124 124 ARG HG3 H 1 1.43 0.006 . 1 . . . . 124 ARG HG3 . 16737 1 1470 . 1 1 124 124 ARG C C 13 173.38 0.006 . 1 . . . . 124 ARG C . 16737 1 1471 . 1 1 124 124 ARG CA C 13 54.52 0.086 . 1 . . . . 124 ARG CA . 16737 1 1472 . 1 1 124 124 ARG CB C 13 33.96 0.130 . 1 . . . . 124 ARG CB . 16737 1 1473 . 1 1 124 124 ARG N N 15 115.46 0.076 . 1 . . . . 124 ARG N . 16737 1 1474 . 1 1 125 125 ALA H H 1 9.38 0.004 . 1 . . . . 125 ALA H . 16737 1 1475 . 1 1 125 125 ALA HA H 1 4.66 0.010 . 1 . . . . 125 ALA HA . 16737 1 1476 . 1 1 125 125 ALA HB1 H 1 1.26 0.012 . 1 . . . . 125 ALA HB1 . 16737 1 1477 . 1 1 125 125 ALA HB2 H 1 1.26 0.012 . 1 . . . . 125 ALA HB2 . 16737 1 1478 . 1 1 125 125 ALA HB3 H 1 1.26 0.012 . 1 . . . . 125 ALA HB3 . 16737 1 1479 . 1 1 125 125 ALA C C 13 179.88 0.028 . 1 . . . . 125 ALA C . 16737 1 1480 . 1 1 125 125 ALA CA C 13 50.73 0.065 . 1 . . . . 125 ALA CA . 16737 1 1481 . 1 1 125 125 ALA CB C 13 20.72 0.038 . 1 . . . . 125 ALA CB . 16737 1 1482 . 1 1 125 125 ALA N N 15 125.46 0.039 . 1 . . . . 125 ALA N . 16737 1 1483 . 1 1 126 126 GLU H H 1 9.33 0.005 . 1 . . . . 126 GLU H . 16737 1 1484 . 1 1 126 126 GLU HA H 1 4.02 0.018 . 1 . . . . 126 GLU HA . 16737 1 1485 . 1 1 126 126 GLU HB2 H 1 2.31 0.006 . 2 . . . . 126 GLU HB2 . 16737 1 1486 . 1 1 126 126 GLU HB3 H 1 2.11 0.008 . 2 . . . . 126 GLU HB3 . 16737 1 1487 . 1 1 126 126 GLU HG2 H 1 2.53 0.000 . 2 . . . . 126 GLU HG2 . 16737 1 1488 . 1 1 126 126 GLU HG3 H 1 2.31 0.010 . 2 . . . . 126 GLU HG3 . 16737 1 1489 . 1 1 126 126 GLU C C 13 176.17 0.000 . 1 . . . . 126 GLU C . 16737 1 1490 . 1 1 126 126 GLU CA C 13 59.55 0.046 . 1 . . . . 126 GLU CA . 16737 1 1491 . 1 1 126 126 GLU CB C 13 29.67 0.048 . 1 . . . . 126 GLU CB . 16737 1 1492 . 1 1 126 126 GLU CG C 13 33.33 0.000 . 1 . . . . 126 GLU CG . 16737 1 1493 . 1 1 126 126 GLU N N 15 126.21 0.039 . 1 . . . . 126 GLU N . 16737 1 1494 . 1 1 127 127 ASP H H 1 8.04 0.013 . 1 . . . . 127 ASP H . 16737 1 1495 . 1 1 127 127 ASP HA H 1 4.74 0.017 . 1 . . . . 127 ASP HA . 16737 1 1496 . 1 1 127 127 ASP HB2 H 1 2.73 0.000 . 1 . . . . 127 ASP HB2 . 16737 1 1497 . 1 1 127 127 ASP HB3 H 1 2.73 0.000 . 1 . . . . 127 ASP HB3 . 16737 1 1498 . 1 1 127 127 ASP C C 13 176.22 0.000 . 1 . . . . 127 ASP C . 16737 1 1499 . 1 1 127 127 ASP CA C 13 52.66 0.077 . 1 . . . . 127 ASP CA . 16737 1 1500 . 1 1 127 127 ASP CB C 13 40.68 0.000 . 1 . . . . 127 ASP CB . 16737 1 1501 . 1 1 127 127 ASP N N 15 115.71 0.046 . 1 . . . . 127 ASP N . 16737 1 1502 . 1 1 128 128 CYS H H 1 7.98 0.011 . 1 . . . . 128 CYS H . 16737 1 1503 . 1 1 128 128 CYS HA H 1 4.77 0.009 . 1 . . . . 128 CYS HA . 16737 1 1504 . 1 1 128 128 CYS HB2 H 1 4.39 0.001 . 1 . . . . 128 CYS HB2 . 16737 1 1505 . 1 1 128 128 CYS HB3 H 1 4.39 0.001 . 1 . . . . 128 CYS HB3 . 16737 1 1506 . 1 1 128 128 CYS C C 13 173.58 0.000 . 1 . . . . 128 CYS C . 16737 1 1507 . 1 1 128 128 CYS CA C 13 58.52 0.129 . 1 . . . . 128 CYS CA . 16737 1 1508 . 1 1 128 128 CYS CB C 13 44.04 0.022 . 1 . . . . 128 CYS CB . 16737 1 1509 . 1 1 128 128 CYS N N 15 114.65 0.055 . 1 . . . . 128 CYS N . 16737 1 1510 . 1 1 129 129 GLY H H 1 7.69 0.008 . 1 . . . . 129 GLY H . 16737 1 1511 . 1 1 129 129 GLY HA2 H 1 4.35 0.000 . 2 . . . . 129 GLY HA2 . 16737 1 1512 . 1 1 129 129 GLY HA3 H 1 3.64 0.007 . 2 . . . . 129 GLY HA3 . 16737 1 1513 . 1 1 129 129 GLY C C 13 172.82 0.009 . 1 . . . . 129 GLY C . 16737 1 1514 . 1 1 129 129 GLY CA C 13 43.71 0.091 . 1 . . . . 129 GLY CA . 16737 1 1515 . 1 1 129 129 GLY N N 15 106.07 0.035 . 1 . . . . 129 GLY N . 16737 1 1516 . 1 1 130 130 CYS H H 1 8.21 0.005 . 1 . . . . 130 CYS H . 16737 1 1517 . 1 1 130 130 CYS HA H 1 4.45 0.013 . 1 . . . . 130 CYS HA . 16737 1 1518 . 1 1 130 130 CYS HB2 H 1 2.72 0.012 . 1 . . . . 130 CYS HB2 . 16737 1 1519 . 1 1 130 130 CYS HB3 H 1 2.72 0.012 . 1 . . . . 130 CYS HB3 . 16737 1 1520 . 1 1 130 130 CYS C C 13 174.47 0.015 . 1 . . . . 130 CYS C . 16737 1 1521 . 1 1 130 130 CYS CA C 13 58.16 0.058 . 1 . . . . 130 CYS CA . 16737 1 1522 . 1 1 130 130 CYS CB C 13 27.96 0.026 . 1 . . . . 130 CYS CB . 16737 1 1523 . 1 1 130 130 CYS N N 15 117.05 0.054 . 1 . . . . 130 CYS N . 16737 1 1524 . 1 1 131 131 ILE H H 1 8.06 0.008 . 1 . . . . 131 ILE H . 16737 1 1525 . 1 1 131 131 ILE HA H 1 4.15 0.021 . 1 . . . . 131 ILE HA . 16737 1 1526 . 1 1 131 131 ILE HB H 1 1.86 0.012 . 1 . . . . 131 ILE HB . 16737 1 1527 . 1 1 131 131 ILE HD11 H 1 0.46 0.003 . 1 . . . . 131 ILE HD11 . 16737 1 1528 . 1 1 131 131 ILE HD12 H 1 0.46 0.003 . 1 . . . . 131 ILE HD12 . 16737 1 1529 . 1 1 131 131 ILE HD13 H 1 0.46 0.003 . 1 . . . . 131 ILE HD13 . 16737 1 1530 . 1 1 131 131 ILE HG12 H 1 1.51 0.010 . 2 . . . . 131 ILE HG12 . 16737 1 1531 . 1 1 131 131 ILE HG13 H 1 0.89 0.020 . 2 . . . . 131 ILE HG13 . 16737 1 1532 . 1 1 131 131 ILE HG21 H 1 0.61 0.008 . 1 . . . . 131 ILE HG21 . 16737 1 1533 . 1 1 131 131 ILE HG22 H 1 0.61 0.008 . 1 . . . . 131 ILE HG22 . 16737 1 1534 . 1 1 131 131 ILE HG23 H 1 0.61 0.008 . 1 . . . . 131 ILE HG23 . 16737 1 1535 . 1 1 131 131 ILE C C 13 173.35 0.000 . 1 . . . . 131 ILE C . 16737 1 1536 . 1 1 131 131 ILE CA C 13 55.94 0.049 . 1 . . . . 131 ILE CA . 16737 1 1537 . 1 1 131 131 ILE CB C 13 36.11 0.105 . 1 . . . . 131 ILE CB . 16737 1 1538 . 1 1 131 131 ILE CD1 C 13 5.85 0.067 . 1 . . . . 131 ILE CD1 . 16737 1 1539 . 1 1 131 131 ILE CG1 C 13 24.82 0.017 . 1 . . . . 131 ILE CG1 . 16737 1 1540 . 1 1 131 131 ILE CG2 C 13 13.43 0.057 . 1 . . . . 131 ILE CG2 . 16737 1 1541 . 1 1 131 131 ILE N N 15 123.94 0.036 . 1 . . . . 131 ILE N . 16737 1 1542 . 1 1 132 132 PRO HA H 1 4.33 0.004 . 1 . . . . 132 PRO HA . 16737 1 1543 . 1 1 132 132 PRO HB2 H 1 2.42 0.012 . 2 . . . . 132 PRO HB2 . 16737 1 1544 . 1 1 132 132 PRO HB3 H 1 1.78 0.009 . 2 . . . . 132 PRO HB3 . 16737 1 1545 . 1 1 132 132 PRO HD2 H 1 3.97 0.000 . 2 . . . . 132 PRO HD2 . 16737 1 1546 . 1 1 132 132 PRO HD3 H 1 3.38 0.043 . 2 . . . . 132 PRO HD3 . 16737 1 1547 . 1 1 132 132 PRO HG2 H 1 2.18 0.000 . 2 . . . . 132 PRO HG2 . 16737 1 1548 . 1 1 132 132 PRO HG3 H 1 2.04 0.000 . 2 . . . . 132 PRO HG3 . 16737 1 1549 . 1 1 132 132 PRO C C 13 175.91 0.009 . 1 . . . . 132 PRO C . 16737 1 1550 . 1 1 132 132 PRO CA C 13 63.46 0.092 . 1 . . . . 132 PRO CA . 16737 1 1551 . 1 1 132 132 PRO CB C 13 32.54 0.082 . 1 . . . . 132 PRO CB . 16737 1 1552 . 1 1 132 132 PRO CD C 13 48.40 0.039 . 1 . . . . 132 PRO CD . 16737 1 1553 . 1 1 133 133 GLU H H 1 8.49 0.003 . 1 . . . . 133 GLU H . 16737 1 1554 . 1 1 133 133 GLU HA H 1 3.91 0.021 . 1 . . . . 133 GLU HA . 16737 1 1555 . 1 1 133 133 GLU HB2 H 1 2.12 0.000 . 2 . . . . 133 GLU HB2 . 16737 1 1556 . 1 1 133 133 GLU HB3 H 1 2.00 0.000 . 2 . . . . 133 GLU HB3 . 16737 1 1557 . 1 1 133 133 GLU HG2 H 1 2.31 0.004 . 2 . . . . 133 GLU HG2 . 16737 1 1558 . 1 1 133 133 GLU HG3 H 1 2.18 0.000 . 2 . . . . 133 GLU HG3 . 16737 1 1559 . 1 1 133 133 GLU C C 13 178.09 0.013 . 1 . . . . 133 GLU C . 16737 1 1560 . 1 1 133 133 GLU CA C 13 58.81 0.013 . 1 . . . . 133 GLU CA . 16737 1 1561 . 1 1 133 133 GLU CB C 13 29.58 0.006 . 1 . . . . 133 GLU CB . 16737 1 1562 . 1 1 133 133 GLU CG C 13 33.81 0.070 . 1 . . . . 133 GLU CG . 16737 1 1563 . 1 1 133 133 GLU N N 15 123.17 0.027 . 1 . . . . 133 GLU N . 16737 1 1564 . 1 1 134 134 GLU H H 1 9.74 0.006 . 1 . . . . 134 GLU H . 16737 1 1565 . 1 1 134 134 GLU HA H 1 3.90 0.017 . 1 . . . . 134 GLU HA . 16737 1 1566 . 1 1 134 134 GLU HB2 H 1 1.97 0.011 . 2 . . . . 134 GLU HB2 . 16737 1 1567 . 1 1 134 134 GLU HB3 H 1 1.55 0.015 . 2 . . . . 134 GLU HB3 . 16737 1 1568 . 1 1 134 134 GLU HG2 H 1 2.23 0.009 . 2 . . . . 134 GLU HG2 . 16737 1 1569 . 1 1 134 134 GLU HG3 H 1 1.85 0.001 . 2 . . . . 134 GLU HG3 . 16737 1 1570 . 1 1 134 134 GLU C C 13 177.43 0.012 . 1 . . . . 134 GLU C . 16737 1 1571 . 1 1 134 134 GLU CA C 13 60.46 0.028 . 1 . . . . 134 GLU CA . 16737 1 1572 . 1 1 134 134 GLU CB C 13 29.20 0.141 . 1 . . . . 134 GLU CB . 16737 1 1573 . 1 1 134 134 GLU CG C 13 33.70 0.054 . 1 . . . . 134 GLU CG . 16737 1 1574 . 1 1 134 134 GLU N N 15 120.04 0.012 . 1 . . . . 134 GLU N . 16737 1 1575 . 1 1 135 135 VAL H H 1 7.12 0.009 . 1 . . . . 135 VAL H . 16737 1 1576 . 1 1 135 135 VAL HA H 1 4.48 0.023 . 1 . . . . 135 VAL HA . 16737 1 1577 . 1 1 135 135 VAL HB H 1 2.55 0.021 . 1 . . . . 135 VAL HB . 16737 1 1578 . 1 1 135 135 VAL HG11 H 1 0.80 0.002 . 2 . . . . 135 VAL HG11 . 16737 1 1579 . 1 1 135 135 VAL HG12 H 1 0.80 0.002 . 2 . . . . 135 VAL HG12 . 16737 1 1580 . 1 1 135 135 VAL HG13 H 1 0.80 0.002 . 2 . . . . 135 VAL HG13 . 16737 1 1581 . 1 1 135 135 VAL HG21 H 1 0.83 0.011 . 2 . . . . 135 VAL HG21 . 16737 1 1582 . 1 1 135 135 VAL HG22 H 1 0.83 0.011 . 2 . . . . 135 VAL HG22 . 16737 1 1583 . 1 1 135 135 VAL HG23 H 1 0.83 0.011 . 2 . . . . 135 VAL HG23 . 16737 1 1584 . 1 1 135 135 VAL C C 13 173.86 0.015 . 1 . . . . 135 VAL C . 16737 1 1585 . 1 1 135 135 VAL CA C 13 60.95 0.068 . 1 . . . . 135 VAL CA . 16737 1 1586 . 1 1 135 135 VAL CB C 13 31.22 0.066 . 1 . . . . 135 VAL CB . 16737 1 1587 . 1 1 135 135 VAL CG1 C 13 16.79 0.086 . 2 . . . . 135 VAL CG1 . 16737 1 1588 . 1 1 135 135 VAL CG2 C 13 20.32 0.001 . 2 . . . . 135 VAL CG2 . 16737 1 1589 . 1 1 135 135 VAL N N 15 108.08 0.019 . 1 . . . . 135 VAL N . 16737 1 1590 . 1 1 136 136 ILE H H 1 7.75 0.009 . 1 . . . . 136 ILE H . 16737 1 1591 . 1 1 136 136 ILE HA H 1 4.31 0.025 . 1 . . . . 136 ILE HA . 16737 1 1592 . 1 1 136 136 ILE HB H 1 2.06 0.020 . 1 . . . . 136 ILE HB . 16737 1 1593 . 1 1 136 136 ILE HD11 H 1 0.90 0.010 . 1 . . . . 136 ILE HD11 . 16737 1 1594 . 1 1 136 136 ILE HD12 H 1 0.90 0.010 . 1 . . . . 136 ILE HD12 . 16737 1 1595 . 1 1 136 136 ILE HD13 H 1 0.90 0.010 . 1 . . . . 136 ILE HD13 . 16737 1 1596 . 1 1 136 136 ILE HG12 H 1 1.70 0.006 . 2 . . . . 136 ILE HG12 . 16737 1 1597 . 1 1 136 136 ILE HG13 H 1 0.95 0.014 . 2 . . . . 136 ILE HG13 . 16737 1 1598 . 1 1 136 136 ILE HG21 H 1 0.92 0.000 . 1 . . . . 136 ILE HG21 . 16737 1 1599 . 1 1 136 136 ILE HG22 H 1 0.92 0.000 . 1 . . . . 136 ILE HG22 . 16737 1 1600 . 1 1 136 136 ILE HG23 H 1 0.92 0.000 . 1 . . . . 136 ILE HG23 . 16737 1 1601 . 1 1 136 136 ILE C C 13 175.56 0.015 . 1 . . . . 136 ILE C . 16737 1 1602 . 1 1 136 136 ILE CA C 13 61.69 0.104 . 1 . . . . 136 ILE CA . 16737 1 1603 . 1 1 136 136 ILE CB C 13 38.33 0.056 . 1 . . . . 136 ILE CB . 16737 1 1604 . 1 1 136 136 ILE CD1 C 13 11.99 0.071 . 1 . . . . 136 ILE CD1 . 16737 1 1605 . 1 1 136 136 ILE CG1 C 13 24.70 0.081 . 1 . . . . 136 ILE CG1 . 16737 1 1606 . 1 1 136 136 ILE CG2 C 13 15.43 0.017 . 1 . . . . 136 ILE CG2 . 16737 1 1607 . 1 1 136 136 ILE N N 15 124.41 0.038 . 1 . . . . 136 ILE N . 16737 1 1608 . 1 1 137 137 ILE H H 1 9.17 0.006 . 1 . . . . 137 ILE H . 16737 1 1609 . 1 1 137 137 ILE HA H 1 4.11 0.017 . 1 . . . . 137 ILE HA . 16737 1 1610 . 1 1 137 137 ILE HB H 1 1.56 0.017 . 1 . . . . 137 ILE HB . 16737 1 1611 . 1 1 137 137 ILE HD11 H 1 0.69 0.012 . 1 . . . . 137 ILE HD11 . 16737 1 1612 . 1 1 137 137 ILE HD12 H 1 0.69 0.012 . 1 . . . . 137 ILE HD12 . 16737 1 1613 . 1 1 137 137 ILE HD13 H 1 0.69 0.012 . 1 . . . . 137 ILE HD13 . 16737 1 1614 . 1 1 137 137 ILE HG12 H 1 1.35 0.004 . 2 . . . . 137 ILE HG12 . 16737 1 1615 . 1 1 137 137 ILE HG13 H 1 1.06 0.007 . 2 . . . . 137 ILE HG13 . 16737 1 1616 . 1 1 137 137 ILE HG21 H 1 0.79 0.006 . 1 . . . . 137 ILE HG21 . 16737 1 1617 . 1 1 137 137 ILE HG22 H 1 0.79 0.006 . 1 . . . . 137 ILE HG22 . 16737 1 1618 . 1 1 137 137 ILE HG23 H 1 0.79 0.006 . 1 . . . . 137 ILE HG23 . 16737 1 1619 . 1 1 137 137 ILE C C 13 175.83 0.016 . 1 . . . . 137 ILE C . 16737 1 1620 . 1 1 137 137 ILE CA C 13 61.90 0.086 . 1 . . . . 137 ILE CA . 16737 1 1621 . 1 1 137 137 ILE CB C 13 39.12 0.107 . 1 . . . . 137 ILE CB . 16737 1 1622 . 1 1 137 137 ILE CD1 C 13 11.01 0.070 . 1 . . . . 137 ILE CD1 . 16737 1 1623 . 1 1 137 137 ILE CG1 C 13 25.16 0.017 . 1 . . . . 137 ILE CG1 . 16737 1 1624 . 1 1 137 137 ILE CG2 C 13 14.34 0.007 . 1 . . . . 137 ILE CG2 . 16737 1 1625 . 1 1 137 137 ILE N N 15 128.98 0.094 . 1 . . . . 137 ILE N . 16737 1 1626 . 1 1 138 138 ALA H H 1 7.65 0.016 . 1 . . . . 138 ALA H . 16737 1 1627 . 1 1 138 138 ALA HA H 1 4.49 0.013 . 1 . . . . 138 ALA HA . 16737 1 1628 . 1 1 138 138 ALA HB1 H 1 1.31 0.020 . 1 . . . . 138 ALA HB1 . 16737 1 1629 . 1 1 138 138 ALA HB2 H 1 1.31 0.020 . 1 . . . . 138 ALA HB2 . 16737 1 1630 . 1 1 138 138 ALA HB3 H 1 1.31 0.020 . 1 . . . . 138 ALA HB3 . 16737 1 1631 . 1 1 138 138 ALA C C 13 173.34 0.010 . 1 . . . . 138 ALA C . 16737 1 1632 . 1 1 138 138 ALA CA C 13 51.59 0.075 . 1 . . . . 138 ALA CA . 16737 1 1633 . 1 1 138 138 ALA CB C 13 22.73 0.076 . 1 . . . . 138 ALA CB . 16737 1 1634 . 1 1 138 138 ALA N N 15 120.11 0.020 . 1 . . . . 138 ALA N . 16737 1 1635 . 1 1 139 139 LYS H H 1 8.37 0.004 . 1 . . . . 139 LYS H . 16737 1 1636 . 1 1 139 139 LYS HA H 1 4.65 0.019 . 1 . . . . 139 LYS HA . 16737 1 1637 . 1 1 139 139 LYS HB2 H 1 1.48 0.022 . 2 . . . . 139 LYS HB2 . 16737 1 1638 . 1 1 139 139 LYS HB3 H 1 1.10 0.021 . 2 . . . . 139 LYS HB3 . 16737 1 1639 . 1 1 139 139 LYS HD2 H 1 1.31 0.000 . 2 . . . . 139 LYS HD2 . 16737 1 1640 . 1 1 139 139 LYS HD3 H 1 1.01 0.000 . 2 . . . . 139 LYS HD3 . 16737 1 1641 . 1 1 139 139 LYS HE2 H 1 2.80 0.000 . 2 . . . . 139 LYS HE2 . 16737 1 1642 . 1 1 139 139 LYS HE3 H 1 2.69 0.000 . 2 . . . . 139 LYS HE3 . 16737 1 1643 . 1 1 139 139 LYS HG2 H 1 0.27 0.006 . 2 . . . . 139 LYS HG2 . 16737 1 1644 . 1 1 139 139 LYS HG3 H 1 -0.40 0.004 . 2 . . . . 139 LYS HG3 . 16737 1 1645 . 1 1 139 139 LYS C C 13 174.41 0.009 . 1 . . . . 139 LYS C . 16737 1 1646 . 1 1 139 139 LYS CA C 13 55.40 0.049 . 1 . . . . 139 LYS CA . 16737 1 1647 . 1 1 139 139 LYS CB C 13 34.44 0.046 . 1 . . . . 139 LYS CB . 16737 1 1648 . 1 1 139 139 LYS CE C 13 38.47 0.018 . 1 . . . . 139 LYS CE . 16737 1 1649 . 1 1 139 139 LYS CG C 13 22.33 0.056 . 1 . . . . 139 LYS CG . 16737 1 1650 . 1 1 139 139 LYS N N 15 123.76 0.021 . 1 . . . . 139 LYS N . 16737 1 1651 . 1 1 140 140 GLU H H 1 9.00 0.009 . 1 . . . . 140 GLU H . 16737 1 1652 . 1 1 140 140 GLU HA H 1 4.54 0.023 . 1 . . . . 140 GLU HA . 16737 1 1653 . 1 1 140 140 GLU HB2 H 1 1.91 0.017 . 1 . . . . 140 GLU HB2 . 16737 1 1654 . 1 1 140 140 GLU HB3 H 1 1.91 0.017 . 1 . . . . 140 GLU HB3 . 16737 1 1655 . 1 1 140 140 GLU HG2 H 1 2.17 0.003 . 2 . . . . 140 GLU HG2 . 16737 1 1656 . 1 1 140 140 GLU HG3 H 1 2.03 0.003 . 2 . . . . 140 GLU HG3 . 16737 1 1657 . 1 1 140 140 GLU C C 13 175.01 0.007 . 1 . . . . 140 GLU C . 16737 1 1658 . 1 1 140 140 GLU CA C 13 55.52 0.071 . 1 . . . . 140 GLU CA . 16737 1 1659 . 1 1 140 140 GLU CB C 13 32.18 0.088 . 1 . . . . 140 GLU CB . 16737 1 1660 . 1 1 140 140 GLU CG C 13 33.12 0.000 . 1 . . . . 140 GLU CG . 16737 1 1661 . 1 1 140 140 GLU N N 15 128.49 0.030 . 1 . . . . 140 GLU N . 16737 1 1662 . 1 1 141 141 LEU H H 1 8.69 0.004 . 1 . . . . 141 LEU H . 16737 1 1663 . 1 1 141 141 LEU HA H 1 4.58 0.024 . 1 . . . . 141 LEU HA . 16737 1 1664 . 1 1 141 141 LEU HB2 H 1 1.83 0.040 . 2 . . . . 141 LEU HB2 . 16737 1 1665 . 1 1 141 141 LEU HB3 H 1 1.48 0.017 . 2 . . . . 141 LEU HB3 . 16737 1 1666 . 1 1 141 141 LEU HD11 H 1 0.80 0.006 . 2 . . . . 141 LEU HD11 . 16737 1 1667 . 1 1 141 141 LEU HD12 H 1 0.80 0.006 . 2 . . . . 141 LEU HD12 . 16737 1 1668 . 1 1 141 141 LEU HD13 H 1 0.80 0.006 . 2 . . . . 141 LEU HD13 . 16737 1 1669 . 1 1 141 141 LEU HD21 H 1 0.34 0.005 . 2 . . . . 141 LEU HD21 . 16737 1 1670 . 1 1 141 141 LEU HD22 H 1 0.34 0.005 . 2 . . . . 141 LEU HD22 . 16737 1 1671 . 1 1 141 141 LEU HD23 H 1 0.34 0.005 . 2 . . . . 141 LEU HD23 . 16737 1 1672 . 1 1 141 141 LEU HG H 1 1.14 0.006 . 1 . . . . 141 LEU HG . 16737 1 1673 . 1 1 141 141 LEU C C 13 175.00 0.011 . 1 . . . . 141 LEU C . 16737 1 1674 . 1 1 141 141 LEU CA C 13 55.01 0.057 . 1 . . . . 141 LEU CA . 16737 1 1675 . 1 1 141 141 LEU CB C 13 42.95 0.087 . 1 . . . . 141 LEU CB . 16737 1 1676 . 1 1 141 141 LEU CD1 C 13 23.42 0.065 . 2 . . . . 141 LEU CD1 . 16737 1 1677 . 1 1 141 141 LEU CD2 C 13 19.54 0.043 . 2 . . . . 141 LEU CD2 . 16737 1 1678 . 1 1 141 141 LEU CG C 13 25.25 0.018 . 1 . . . . 141 LEU CG . 16737 1 1679 . 1 1 141 141 LEU N N 15 127.20 0.020 . 1 . . . . 141 LEU N . 16737 1 1680 . 1 1 142 142 ILE H H 1 9.67 0.005 . 1 . . . . 142 ILE H . 16737 1 1681 . 1 1 142 142 ILE HA H 1 4.22 0.011 . 1 . . . . 142 ILE HA . 16737 1 1682 . 1 1 142 142 ILE HB H 1 1.76 0.028 . 1 . . . . 142 ILE HB . 16737 1 1683 . 1 1 142 142 ILE HD11 H 1 0.68 0.006 . 1 . . . . 142 ILE HD11 . 16737 1 1684 . 1 1 142 142 ILE HD12 H 1 0.68 0.006 . 1 . . . . 142 ILE HD12 . 16737 1 1685 . 1 1 142 142 ILE HD13 H 1 0.68 0.006 . 1 . . . . 142 ILE HD13 . 16737 1 1686 . 1 1 142 142 ILE HG12 H 1 1.41 0.000 . 2 . . . . 142 ILE HG12 . 16737 1 1687 . 1 1 142 142 ILE HG13 H 1 1.05 0.001 . 2 . . . . 142 ILE HG13 . 16737 1 1688 . 1 1 142 142 ILE HG21 H 1 0.68 0.004 . 1 . . . . 142 ILE HG21 . 16737 1 1689 . 1 1 142 142 ILE HG22 H 1 0.68 0.004 . 1 . . . . 142 ILE HG22 . 16737 1 1690 . 1 1 142 142 ILE HG23 H 1 0.68 0.004 . 1 . . . . 142 ILE HG23 . 16737 1 1691 . 1 1 142 142 ILE C C 13 173.49 0.007 . 1 . . . . 142 ILE C . 16737 1 1692 . 1 1 142 142 ILE CA C 13 58.66 0.070 . 1 . . . . 142 ILE CA . 16737 1 1693 . 1 1 142 142 ILE CB C 13 36.75 0.089 . 1 . . . . 142 ILE CB . 16737 1 1694 . 1 1 142 142 ILE CD1 C 13 15.51 0.041 . 1 . . . . 142 ILE CD1 . 16737 1 1695 . 1 1 142 142 ILE CG1 C 13 24.06 0.000 . 1 . . . . 142 ILE CG1 . 16737 1 1696 . 1 1 142 142 ILE CG2 C 13 16.01 0.019 . 1 . . . . 142 ILE CG2 . 16737 1 1697 . 1 1 142 142 ILE N N 15 131.81 0.045 . 1 . . . . 142 ILE N . 16737 1 1698 . 1 1 143 143 GLU H H 1 8.26 0.006 . 1 . . . . 143 GLU H . 16737 1 1699 . 1 1 143 143 GLU HA H 1 4.46 0.006 . 1 . . . . 143 GLU HA . 16737 1 1700 . 1 1 143 143 GLU HB2 H 1 1.91 0.012 . 2 . . . . 143 GLU HB2 . 16737 1 1701 . 1 1 143 143 GLU HB3 H 1 1.77 0.005 . 2 . . . . 143 GLU HB3 . 16737 1 1702 . 1 1 143 143 GLU HG2 H 1 2.06 0.013 . 2 . . . . 143 GLU HG2 . 16737 1 1703 . 1 1 143 143 GLU HG3 H 1 1.91 0.006 . 2 . . . . 143 GLU HG3 . 16737 1 1704 . 1 1 143 143 GLU C C 13 176.36 0.013 . 1 . . . . 143 GLU C . 16737 1 1705 . 1 1 143 143 GLU CA C 13 54.59 0.032 . 1 . . . . 143 GLU CA . 16737 1 1706 . 1 1 143 143 GLU CB C 13 31.76 0.084 . 1 . . . . 143 GLU CB . 16737 1 1707 . 1 1 143 143 GLU CG C 13 35.15 0.016 . 1 . . . . 143 GLU CG . 16737 1 1708 . 1 1 143 143 GLU N N 15 125.91 0.029 . 1 . . . . 143 GLU N . 16737 1 1709 . 1 1 144 144 ILE H H 1 8.21 0.006 . 1 . . . . 144 ILE H . 16737 1 1710 . 1 1 144 144 ILE HA H 1 4.22 0.018 . 1 . . . . 144 ILE HA . 16737 1 1711 . 1 1 144 144 ILE HB H 1 1.80 0.020 . 1 . . . . 144 ILE HB . 16737 1 1712 . 1 1 144 144 ILE HD11 H 1 0.72 0.013 . 1 . . . . 144 ILE HD11 . 16737 1 1713 . 1 1 144 144 ILE HD12 H 1 0.72 0.013 . 1 . . . . 144 ILE HD12 . 16737 1 1714 . 1 1 144 144 ILE HD13 H 1 0.72 0.013 . 1 . . . . 144 ILE HD13 . 16737 1 1715 . 1 1 144 144 ILE HG12 H 1 1.25 0.146 . 1 . . . . 144 ILE HG12 . 16737 1 1716 . 1 1 144 144 ILE HG13 H 1 1.25 0.146 . 1 . . . . 144 ILE HG13 . 16737 1 1717 . 1 1 144 144 ILE HG21 H 1 0.60 0.007 . 1 . . . . 144 ILE HG21 . 16737 1 1718 . 1 1 144 144 ILE HG22 H 1 0.60 0.007 . 1 . . . . 144 ILE HG22 . 16737 1 1719 . 1 1 144 144 ILE HG23 H 1 0.60 0.007 . 1 . . . . 144 ILE HG23 . 16737 1 1720 . 1 1 144 144 ILE C C 13 175.43 0.012 . 1 . . . . 144 ILE C . 16737 1 1721 . 1 1 144 144 ILE CA C 13 60.00 0.056 . 1 . . . . 144 ILE CA . 16737 1 1722 . 1 1 144 144 ILE CB C 13 38.63 0.044 . 1 . . . . 144 ILE CB . 16737 1 1723 . 1 1 144 144 ILE CD1 C 13 10.30 0.023 . 1 . . . . 144 ILE CD1 . 16737 1 1724 . 1 1 144 144 ILE CG1 C 13 23.92 0.139 . 1 . . . . 144 ILE CG1 . 16737 1 1725 . 1 1 144 144 ILE CG2 C 13 8.03 0.067 . 1 . . . . 144 ILE CG2 . 16737 1 1726 . 1 1 144 144 ILE N N 15 121.61 0.016 . 1 . . . . 144 ILE N . 16737 1 1727 . 1 1 145 145 ASN H H 1 8.62 0.004 . 1 . . . . 145 ASN H . 16737 1 1728 . 1 1 145 145 ASN HA H 1 4.79 0.001 . 1 . . . . 145 ASN HA . 16737 1 1729 . 1 1 145 145 ASN HB2 H 1 2.77 0.000 . 2 . . . . 145 ASN HB2 . 16737 1 1730 . 1 1 145 145 ASN HB3 H 1 2.69 0.000 . 2 . . . . 145 ASN HB3 . 16737 1 1731 . 1 1 145 145 ASN C C 13 174.55 0.013 . 1 . . . . 145 ASN C . 16737 1 1732 . 1 1 145 145 ASN CA C 13 52.98 0.014 . 1 . . . . 145 ASN CA . 16737 1 1733 . 1 1 145 145 ASN CB C 13 39.02 0.039 . 1 . . . . 145 ASN CB . 16737 1 1734 . 1 1 145 145 ASN N N 15 121.68 0.021 . 1 . . . . 145 ASN N . 16737 1 1735 . 1 1 146 146 LEU H H 1 8.29 0.006 . 1 . . . . 146 LEU H . 16737 1 1736 . 1 1 146 146 LEU HA H 1 4.33 0.004 . 1 . . . . 146 LEU HA . 16737 1 1737 . 1 1 146 146 LEU HB2 H 1 1.53 0.011 . 1 . . . . 146 LEU HB2 . 16737 1 1738 . 1 1 146 146 LEU HB3 H 1 1.53 0.011 . 1 . . . . 146 LEU HB3 . 16737 1 1739 . 1 1 146 146 LEU HD11 H 1 0.86 0.000 . 2 . . . . 146 LEU HD11 . 16737 1 1740 . 1 1 146 146 LEU HD12 H 1 0.86 0.000 . 2 . . . . 146 LEU HD12 . 16737 1 1741 . 1 1 146 146 LEU HD13 H 1 0.86 0.000 . 2 . . . . 146 LEU HD13 . 16737 1 1742 . 1 1 146 146 LEU HD21 H 1 0.77 0.009 . 2 . . . . 146 LEU HD21 . 16737 1 1743 . 1 1 146 146 LEU HD22 H 1 0.77 0.009 . 2 . . . . 146 LEU HD22 . 16737 1 1744 . 1 1 146 146 LEU HD23 H 1 0.77 0.009 . 2 . . . . 146 LEU HD23 . 16737 1 1745 . 1 1 146 146 LEU C C 13 177.05 0.010 . 1 . . . . 146 LEU C . 16737 1 1746 . 1 1 146 146 LEU CA C 13 55.21 0.037 . 1 . . . . 146 LEU CA . 16737 1 1747 . 1 1 146 146 LEU CB C 13 42.55 0.038 . 1 . . . . 146 LEU CB . 16737 1 1748 . 1 1 146 146 LEU CD1 C 13 22.38 0.051 . 2 . . . . 146 LEU CD1 . 16737 1 1749 . 1 1 146 146 LEU CD2 C 13 20.58 0.030 . 2 . . . . 146 LEU CD2 . 16737 1 1750 . 1 1 146 146 LEU N N 15 124.24 0.010 . 1 . . . . 146 LEU N . 16737 1 1751 . 1 1 147 147 GLU H H 1 8.32 0.004 . 1 . . . . 147 GLU H . 16737 1 1752 . 1 1 147 147 GLU HA H 1 4.33 0.000 . 1 . . . . 147 GLU HA . 16737 1 1753 . 1 1 147 147 GLU HB2 H 1 1.96 0.000 . 1 . . . . 147 GLU HB2 . 16737 1 1754 . 1 1 147 147 GLU HB3 H 1 1.96 0.000 . 1 . . . . 147 GLU HB3 . 16737 1 1755 . 1 1 147 147 GLU HG2 H 1 2.26 0.000 . 1 . . . . 147 GLU HG2 . 16737 1 1756 . 1 1 147 147 GLU HG3 H 1 2.26 0.000 . 1 . . . . 147 GLU HG3 . 16737 1 1757 . 1 1 147 147 GLU C C 13 175.96 0.019 . 1 . . . . 147 GLU C . 16737 1 1758 . 1 1 147 147 GLU CA C 13 56.84 0.038 . 1 . . . . 147 GLU CA . 16737 1 1759 . 1 1 147 147 GLU CB C 13 30.39 0.102 . 1 . . . . 147 GLU CB . 16737 1 1760 . 1 1 147 147 GLU N N 15 121.62 0.012 . 1 . . . . 147 GLU N . 16737 1 1761 . 1 1 148 148 HIS H H 1 8.13 0.005 . 1 . . . . 148 HIS H . 16737 1 1762 . 1 1 148 148 HIS C C 13 174.83 0.000 . 1 . . . . 148 HIS C . 16737 1 1763 . 1 1 148 148 HIS CA C 13 56.30 0.152 . 1 . . . . 148 HIS CA . 16737 1 1764 . 1 1 148 148 HIS CB C 13 31.04 0.000 . 1 . . . . 148 HIS CB . 16737 1 1765 . 1 1 148 148 HIS N N 15 120.32 0.078 . 1 . . . . 148 HIS N . 16737 1 1766 . 1 1 149 149 HIS H H 1 7.93 0.000 . 1 . . . . 149 HIS H . 16737 1 1767 . 1 1 149 149 HIS N N 15 126.68 0.000 . 1 . . . . 149 HIS N . 16737 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 16737 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 16 '2D 1H-15N NOESY' . . . 16737 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 GLY N N 15 . 1 1 2 2 GLY H H 1 3.80 0.48 . . 1 2 GLY N 1 2 GLY H 16737 1 2 . 1 1 3 3 ASN N N 15 . 1 1 3 3 ASN H H 1 4.43 0.50 . . 1 3 ASN N 1 3 ASN H 16737 1 3 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 3.43 0.29 . . 1 5 LEU N 1 5 LEU H 16737 1 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 4.50 0.50 . . 1 6 TYR N 1 6 TYR H 16737 1 5 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG H H 1 3.18 0.22 . . 1 7 ARG N 1 7 ARG H 16737 1 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 3.56 0.30 . . 1 8 GLY N 1 8 GLY H 16737 1 7 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 3.69 0.31 . . 1 9 ILE N 1 9 ILE H 16737 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 3.53 0.28 . . 1 10 SER N 1 10 SER H 16737 1 9 . 1 1 11 11 CYS N N 15 . 1 1 11 11 CYS H H 1 3.46 0.37 . . 1 11 CYS N 1 11 CYS H 16737 1 10 . 1 1 12 12 GLN N N 15 . 1 1 12 12 GLN H H 1 3.36 0.18 . . 1 12 GLN N 1 12 GLN H 16737 1 11 . 1 1 13 13 GLN N N 15 . 1 1 13 13 GLN H H 1 3.12 0.24 . . 1 13 GLN N 1 13 GLN H 16737 1 12 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 4.11 0.42 . . 1 14 ASP N 1 14 ASP H 16737 1 13 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 3.64 0.16 . . 1 15 GLU N 1 15 GLU H 16737 1 14 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 2.98 0.16 . . 1 16 GLN N 1 16 GLN H 16737 1 15 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 3.31 0.23 . . 1 17 ASN N 1 17 ASN H 16737 1 16 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 3.58 0.22 . . 1 18 ASN N 1 18 ASN H 16737 1 17 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 3.41 0.21 . . 1 19 GLY N 1 19 GLY H 16737 1 18 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 3.15 0.27 . . 1 20 GLN N 1 20 GLN H 16737 1 19 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 2.39 0.25 . . 1 21 LEU N 1 21 LEU H 16737 1 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 2.51 0.28 . . 1 22 LYS N 1 22 LYS H 16737 1 21 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 2.93 0.45 . . 1 24 LYS N 1 24 LYS H 16737 1 22 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 3.89 0.74 . . 1 25 GLY N 1 25 GLY H 16737 1 23 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 2.98 0.23 . . 1 27 LYS N 1 27 LYS H 16737 1 24 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 1.15 0.25 . . 1 29 GLU N 1 29 GLU H 16737 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 1.30 0.19 . . 1 31 ALA N 1 31 ALA H 16737 1 26 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 1.74 0.45 . . 1 36 GLY N 1 36 GLY H 16737 1 27 . 1 1 40 40 TYR N N 15 . 1 1 40 40 TYR H H 1 1.60 0.32 . . 1 40 TYR N 1 40 TYR H 16737 1 28 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 2.19 0.46 . . 1 41 ASP N 1 41 ASP H 16737 1 29 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 2.30 0.44 . . 1 42 GLY N 1 42 GLY H 16737 1 30 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 1.57 0.31 . . 1 50 VAL N 1 50 VAL H 16737 1 31 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 1.86 0.52 . . 1 51 LYS N 1 51 LYS H 16737 1 32 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 2.08 0.12 . . 1 54 VAL N 1 54 VAL H 16737 1 33 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 2.33 0.23 . . 1 55 TYR N 1 55 TYR H 16737 1 34 . 1 1 57 57 HIS N N 15 . 1 1 57 57 HIS H H 1 2.00 0.83 . . 1 57 HIS N 1 57 HIS H 16737 1 35 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 2.13 0.16 . . 1 59 ILE N 1 59 ILE H 16737 1 36 . 1 1 61 61 THR N N 15 . 1 1 61 61 THR H H 1 3.39 0.50 . . 1 61 THR N 1 61 THR H 16737 1 37 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 2.61 0.50 . . 1 62 GLY N 1 62 GLY H 16737 1 38 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 3.43 0.31 . . 1 63 LEU N 1 63 LEU H 16737 1 39 . 1 1 64 64 TYR N N 15 . 1 1 64 64 TYR H H 1 2.21 0.21 . . 1 64 TYR N 1 64 TYR H 16737 1 40 . 1 1 67 67 CYS N N 15 . 1 1 67 67 CYS H H 1 3.61 0.46 . . 1 67 CYS N 1 67 CYS H 16737 1 41 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 3.79 0.36 . . 1 68 TYR N 1 68 TYR H 16737 1 42 . 1 1 69 69 ILE N N 15 . 1 1 69 69 ILE H H 1 5.56 1.19 . . 1 69 ILE N 1 69 ILE H 16737 1 43 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 3.07 0.27 . . 1 70 SER N 1 70 SER H 16737 1 44 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 3.43 0.37 . . 1 71 THR N 1 71 THR H 16737 1 45 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 3.88 0.34 . . 1 72 THR N 1 72 THR H 16737 1 46 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 3.83 0.34 . . 1 74 ASP N 1 74 ASP H 16737 1 47 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 2.99 0.20 . . 1 75 LYS N 1 75 LYS H 16737 1 48 . 1 1 77 77 ILE N N 15 . 1 1 77 77 ILE H H 1 3.94 0.28 . . 1 77 ILE N 1 77 ILE H 16737 1 49 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 3.80 0.21 . . 1 78 ALA N 1 78 ALA H 16737 1 50 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 4.08 0.20 . . 1 80 LYS N 1 80 LYS H 16737 1 51 . 1 1 81 81 PHE N N 15 . 1 1 81 81 PHE H H 1 3.81 0.20 . . 1 81 PHE N 1 81 PHE H 16737 1 52 . 1 1 82 82 ALA N N 15 . 1 1 82 82 ALA H H 1 3.42 0.19 . . 1 82 ALA N 1 82 ALA H 16737 1 53 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 3.71 0.29 . . 1 83 THR N 1 83 THR H 16737 1 54 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 4.33 0.27 . . 1 84 SER N 1 84 SER H 16737 1 55 . 1 1 85 85 SER N N 15 . 1 1 85 85 SER H H 1 3.97 0.28 . . 1 85 SER N 1 85 SER H 16737 1 56 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 3.40 0.24 . . 1 86 GLY N 1 86 GLY H 16737 1 57 . 1 1 87 87 ILE N N 15 . 1 1 87 87 ILE H H 1 4.21 0.34 . . 1 87 ILE N 1 87 ILE H 16737 1 58 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 3.60 0.23 . . 1 88 GLU N 1 88 GLU H 16737 1 59 . 1 1 89 89 ASN N N 15 . 1 1 89 89 ASN H H 1 3.52 0.17 . . 1 89 ASN N 1 89 ASN H 16737 1 60 . 1 1 91 91 TYR N N 15 . 1 1 91 91 TYR H H 1 3.31 0.24 . . 1 91 TYR N 1 91 TYR H 16737 1 61 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 4.02 0.35 . . 1 92 ILE N 1 92 ILE H 16737 1 62 . 1 1 93 93 TYR N N 15 . 1 1 93 93 TYR H H 1 4.20 0.39 . . 1 93 TYR N 1 93 TYR H 16737 1 63 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 3.57 0.30 . . 1 94 VAL N 1 94 VAL H 16737 1 64 . 1 1 95 95 LEU N N 15 . 1 1 95 95 LEU H H 1 4.10 0.39 . . 1 95 LEU N 1 95 LEU H 16737 1 65 . 1 1 96 96 ASN N N 15 . 1 1 96 96 ASN H H 1 3.04 0.25 . . 1 96 ASN N 1 96 ASN H 16737 1 66 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 5.01 0.42 . . 1 98 ASP N 1 98 ASP H 16737 1 67 . 1 1 99 99 LEU N N 15 . 1 1 99 99 LEU H H 1 3.83 0.28 . . 1 99 LEU N 1 99 LEU H 16737 1 68 . 1 1 100 100 PHE N N 15 . 1 1 100 100 PHE H H 1 4.65 0.34 . . 1 100 PHE N 1 100 PHE H 16737 1 69 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 3.56 0.32 . . 1 101 GLY N 1 101 GLY H 16737 1 70 . 1 1 103 103 TYR N N 15 . 1 1 103 103 TYR H H 1 4.10 0.31 . . 1 103 TYR N 1 103 TYR H 16737 1 71 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 4.35 0.37 . . 1 104 SER N 1 104 SER H 16737 1 72 . 1 1 106 106 PHE N N 15 . 1 1 106 106 PHE H H 1 4.24 0.53 . . 1 106 PHE N 1 106 PHE H 16737 1 73 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 4.04 0.42 . . 1 107 GLU N 1 107 GLU H 16737 1 74 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 3.61 0.35 . . 1 109 GLU N 1 109 GLU H 16737 1 75 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 3.26 0.30 . . 1 110 VAL N 1 110 VAL H 16737 1 76 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 3.80 0.23 . . 1 111 GLU N 1 111 GLU H 16737 1 77 . 1 1 112 112 HIS N N 15 . 1 1 112 112 HIS H H 1 2.78 0.30 . . 1 112 HIS N 1 112 HIS H 16737 1 78 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 2.53 0.81 . . 1 114 GLU N 1 114 GLU H 16737 1 79 . 1 1 115 115 ASN N N 15 . 1 1 115 115 ASN H H 1 2.89 0.24 . . 1 115 ASN N 1 115 ASN H 16737 1 80 . 1 1 117 117 ASN N N 15 . 1 1 117 117 ASN H H 1 3.65 0.23 . . 1 117 ASN N 1 117 ASN H 16737 1 81 . 1 1 119 119 LYS N N 15 . 1 1 119 119 LYS H H 1 3.98 0.50 . . 1 119 LYS N 1 119 LYS H 16737 1 82 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 3.43 0.50 . . 1 120 GLU N 1 120 GLU H 16737 1 83 . 1 1 121 121 VAL N N 15 . 1 1 121 121 VAL H H 1 3.75 0.39 . . 1 121 VAL N 1 121 VAL H 16737 1 84 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 4.18 0.59 . . 1 122 THR N 1 122 THR H 16737 1 85 . 1 1 123 123 ILE N N 15 . 1 1 123 123 ILE H H 1 5.24 0.96 . . 1 123 ILE N 1 123 ILE H 16737 1 86 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 3.65 0.42 . . 1 125 ALA N 1 125 ALA H 16737 1 87 . 1 1 126 126 GLU N N 15 . 1 1 126 126 GLU H H 1 4.03 0.51 . . 1 126 GLU N 1 126 GLU H 16737 1 88 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 3.39 0.29 . . 1 128 CYS N 1 128 CYS H 16737 1 89 . 1 1 131 131 ILE N N 15 . 1 1 131 131 ILE H H 1 3.49 0.34 . . 1 131 ILE N 1 131 ILE H 16737 1 90 . 1 1 133 133 GLU N N 15 . 1 1 133 133 GLU H H 1 3.24 0.22 . . 1 133 GLU N 1 133 GLU H 16737 1 91 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 3.80 0.21 . . 1 134 GLU N 1 134 GLU H 16737 1 92 . 1 1 135 135 VAL N N 15 . 1 1 135 135 VAL H H 1 3.77 0.29 . . 1 135 VAL N 1 135 VAL H 16737 1 93 . 1 1 136 136 ILE N N 15 . 1 1 136 136 ILE H H 1 3.37 0.22 . . 1 136 ILE N 1 136 ILE H 16737 1 94 . 1 1 137 137 ILE N N 15 . 1 1 137 137 ILE H H 1 4.99 1.05 . . 1 137 ILE N 1 137 ILE H 16737 1 95 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 3.88 0.23 . . 1 138 ALA N 1 138 ALA H 16737 1 96 . 1 1 139 139 LYS N N 15 . 1 1 139 139 LYS H H 1 3.78 0.18 . . 1 139 LYS N 1 139 LYS H 16737 1 97 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 2.89 0.28 . . 1 140 GLU N 1 140 GLU H 16737 1 98 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 3.70 0.20 . . 1 141 LEU N 1 141 LEU H 16737 1 99 . 1 1 142 142 ILE N N 15 . 1 1 142 142 ILE H H 1 4.14 0.33 . . 1 142 ILE N 1 142 ILE H 16737 1 100 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 3.57 0.23 . . 1 143 GLU N 1 143 GLU H 16737 1 101 . 1 1 144 144 ILE N N 15 . 1 1 144 144 ILE H H 1 4.07 0.32 . . 1 144 ILE N 1 144 ILE H 16737 1 102 . 1 1 146 146 LEU N N 15 . 1 1 146 146 LEU H H 1 0.46 0.12 . . 1 146 LEU N 1 146 LEU H 16737 1 103 . 1 1 147 147 GLU N N 15 . 1 1 147 147 GLU H H 1 0.40 0.08 . . 1 147 GLU N 1 147 GLU H 16737 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 16737 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 '2D 1H-15N HSQC T1 edited' . . . 16737 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 GLY N N 15 738.4 148 . . 2 GLY N 16737 1 2 . 1 1 3 3 ASN N N 15 735.5 51.9 . . 3 ASN N 16737 1 3 . 1 1 5 5 LEU N N 15 718.3 38.3 . . 5 LEU N 16737 1 4 . 1 1 6 6 TYR N N 15 749.8 60.4 . . 6 TYR N 16737 1 5 . 1 1 7 7 ARG N N 15 832.9 57.2 . . 7 ARG N 16737 1 6 . 1 1 8 8 GLY N N 15 830.3 31 . . 8 GLY N 16737 1 7 . 1 1 9 9 ILE N N 15 750.2 61.9 . . 9 ILE N 16737 1 8 . 1 1 10 10 SER N N 15 919.5 60.4 . . 10 SER N 16737 1 9 . 1 1 11 11 CYS N N 15 877 142 . . 11 CYS N 16737 1 10 . 1 1 12 12 GLN N N 15 769 61.9 . . 12 GLN N 16737 1 11 . 1 1 13 13 GLN N N 15 743.5 71.8 . . 13 GLN N 16737 1 12 . 1 1 14 14 ASP N N 15 804.8 49.8 . . 14 ASP N 16737 1 13 . 1 1 15 15 GLU N N 15 871.2 54.5 . . 15 GLU N 16737 1 14 . 1 1 16 16 GLN N N 15 818.1 55.6 . . 16 GLN N 16737 1 15 . 1 1 17 17 ASN N N 15 939.6 91.5 . . 17 ASN N 16737 1 16 . 1 1 18 18 ASN N N 15 723.5 28.5 . . 18 ASN N 16737 1 17 . 1 1 19 19 GLY N N 15 732.9 62.4 . . 19 GLY N 16737 1 18 . 1 1 20 20 GLN N N 15 758.3 59.3 . . 20 GLN N 16737 1 19 . 1 1 21 21 LEU N N 15 781.2 50.6 . . 21 LEU N 16737 1 20 . 1 1 22 22 LYS N N 15 937.3 65.1 . . 22 LYS N 16737 1 21 . 1 1 24 24 LYS N N 15 673.3 79.5 . . 24 LYS N 16737 1 22 . 1 1 25 25 GLY N N 15 494.7 59.3 . . 25 GLY N 16737 1 23 . 1 1 29 29 GLU N N 15 568.4 297 . . 29 GLU N 16737 1 24 . 1 1 30 30 VAL N N 15 639.1 55 . . 30 VAL N 16737 1 25 . 1 1 31 31 ALA N N 15 571.1 122 . . 31 ALA N 16737 1 26 . 1 1 34 34 TYR N N 15 387.4 108 . . 34 TYR N 16737 1 27 . 1 1 35 35 ASP N N 15 531.6 101 . . 35 ASP N 16737 1 28 . 1 1 36 36 GLY N N 15 504.9 95.4 . . 36 GLY N 16737 1 29 . 1 1 39 39 LYS N N 15 536.4 68.7 . . 39 LYS N 16737 1 30 . 1 1 42 42 GLY N N 15 540.5 119 . . 42 GLY N 16737 1 31 . 1 1 44 44 ALA N N 15 619.9 134 . . 44 ALA N 16737 1 32 . 1 1 46 46 HIS N N 15 642.7 118 . . 46 HIS N 16737 1 33 . 1 1 50 50 VAL N N 15 532.5 40.9 . . 50 VAL N 16737 1 34 . 1 1 51 51 LYS N N 15 595.4 87.1 . . 51 LYS N 16737 1 35 . 1 1 54 54 VAL N N 15 670.6 96.2 . . 54 VAL N 16737 1 36 . 1 1 55 55 TYR N N 15 606.1 127 . . 55 TYR N 16737 1 37 . 1 1 59 59 ILE N N 15 641.7 78.3 . . 59 ILE N 16737 1 38 . 1 1 61 61 THR N N 15 662.3 67.6 . . 61 THR N 16737 1 39 . 1 1 62 62 GLY N N 15 594.4 179 . . 62 GLY N 16737 1 40 . 1 1 63 63 LEU N N 15 674.4 83.6 . . 63 LEU N 16737 1 41 . 1 1 64 64 TYR N N 15 707.8 62.9 . . 64 TYR N 16737 1 42 . 1 1 67 67 CYS N N 15 641.1 169 . . 67 CYS N 16737 1 43 . 1 1 68 68 TYR N N 15 740.1 72.4 . . 68 TYR N 16737 1 44 . 1 1 69 69 ILE N N 15 868.6 47 . . 69 ILE N 16737 1 45 . 1 1 70 70 SER N N 15 692.7 52.4 . . 70 SER N 16737 1 46 . 1 1 71 71 THR N N 15 908.1 81.1 . . 71 THR N 16737 1 47 . 1 1 72 72 THR N N 15 884.1 29.2 . . 72 THR N 16737 1 48 . 1 1 74 74 ASP N N 15 792 99.2 . . 74 ASP N 16737 1 49 . 1 1 75 75 LYS N N 15 775.7 59.8 . . 75 LYS N 16737 1 50 . 1 1 77 77 ILE N N 15 836.5 21.8 . . 77 ILE N 16737 1 51 . 1 1 78 78 ALA N N 15 789.2 34.6 . . 78 ALA N 16737 1 52 . 1 1 80 80 LYS N N 15 804.6 58.1 . . 80 LYS N 16737 1 53 . 1 1 81 81 PHE N N 15 825.5 25.1 . . 81 PHE N 16737 1 54 . 1 1 82 82 ALA N N 15 783.5 42.5 . . 82 ALA N 16737 1 55 . 1 1 83 83 THR N N 15 830.9 80.1 . . 83 THR N 16737 1 56 . 1 1 84 84 SER N N 15 821 91.4 . . 84 SER N 16737 1 57 . 1 1 85 85 SER N N 15 851.8 49.6 . . 85 SER N 16737 1 58 . 1 1 86 86 GLY N N 15 932.6 81.3 . . 86 GLY N 16737 1 59 . 1 1 87 87 ILE N N 15 923.8 42.8 . . 87 ILE N 16737 1 60 . 1 1 88 88 GLU N N 15 773.3 63 . . 88 GLU N 16737 1 61 . 1 1 89 89 ASN N N 15 805.2 30.7 . . 89 ASN N 16737 1 62 . 1 1 90 90 GLY N N 15 850.4 41.2 . . 90 GLY N 16737 1 63 . 1 1 91 91 TYR N N 15 834.1 84.5 . . 91 TYR N 16737 1 64 . 1 1 92 92 ILE N N 15 878.3 42.3 . . 92 ILE N 16737 1 65 . 1 1 93 93 TYR N N 15 811.2 48.3 . . 93 TYR N 16737 1 66 . 1 1 94 94 VAL N N 15 802.3 79.6 . . 94 VAL N 16737 1 67 . 1 1 95 95 LEU N N 15 781.7 67.5 . . 95 LEU N 16737 1 68 . 1 1 96 96 ASN N N 15 842.9 30 . . 96 ASN N 16737 1 69 . 1 1 97 97 ARG N N 15 903.5 59.3 . . 97 ARG N 16737 1 70 . 1 1 98 98 ASP N N 15 875.5 21.9 . . 98 ASP N 16737 1 71 . 1 1 99 99 LEU N N 15 814.5 23.3 . . 99 LEU N 16737 1 72 . 1 1 100 100 PHE N N 15 785.5 68.6 . . 100 PHE N 16737 1 73 . 1 1 101 101 GLY N N 15 824.2 248 . . 101 GLY N 16737 1 74 . 1 1 103 103 TYR N N 15 844.9 50.6 . . 103 TYR N 16737 1 75 . 1 1 104 104 SER N N 15 820.9 65.8 . . 104 SER N 16737 1 76 . 1 1 106 106 PHE N N 15 923.4 64.8 . . 106 PHE N 16737 1 77 . 1 1 107 107 GLU N N 15 851.8 88.4 . . 107 GLU N 16737 1 78 . 1 1 109 109 GLU N N 15 846.6 40.5 . . 109 GLU N 16737 1 79 . 1 1 110 110 VAL N N 15 798.1 23.8 . . 110 VAL N 16737 1 80 . 1 1 111 111 GLU N N 15 826.6 50.1 . . 111 GLU N 16737 1 81 . 1 1 112 112 HIS N N 15 762.7 51.5 . . 112 HIS N 16737 1 82 . 1 1 114 114 GLU N N 15 787.6 288 . . 114 GLU N 16737 1 83 . 1 1 115 115 ASN N N 15 857.9 28.5 . . 115 ASN N 16737 1 84 . 1 1 117 117 ASN N N 15 727.7 40.6 . . 117 ASN N 16737 1 85 . 1 1 119 119 LYS N N 15 754.2 65.9 . . 119 LYS N 16737 1 86 . 1 1 120 120 GLU N N 15 796.6 35.7 . . 120 GLU N 16737 1 87 . 1 1 121 121 VAL N N 15 1038 77.4 . . 121 VAL N 16737 1 88 . 1 1 122 122 THR N N 15 833 57.6 . . 122 THR N 16737 1 89 . 1 1 123 123 ILE N N 15 861.9 85.5 . . 123 ILE N 16737 1 90 . 1 1 125 125 ALA N N 15 766.1 120 . . 125 ALA N 16737 1 91 . 1 1 126 126 GLU N N 15 872.1 64.5 . . 126 GLU N 16737 1 92 . 1 1 128 128 CYS N N 15 742.6 77.6 . . 128 CYS N 16737 1 93 . 1 1 131 131 ILE N N 15 827.5 61.5 . . 131 ILE N 16737 1 94 . 1 1 133 133 GLU N N 15 875.4 23.6 . . 133 GLU N 16737 1 95 . 1 1 134 134 GLU N N 15 862.9 13.6 . . 134 GLU N 16737 1 96 . 1 1 135 135 VAL N N 15 811.7 59.6 . . 135 VAL N 16737 1 97 . 1 1 136 136 ILE N N 15 808.5 71.5 . . 136 ILE N 16737 1 98 . 1 1 137 137 ILE N N 15 785.6 35.5 . . 137 ILE N 16737 1 99 . 1 1 138 138 ALA N N 15 832.1 16.8 . . 138 ALA N 16737 1 100 . 1 1 140 140 GLU N N 15 896.4 59.7 . . 140 GLU N 16737 1 101 . 1 1 141 141 LEU N N 15 914.6 36 . . 141 LEU N 16737 1 102 . 1 1 142 142 ILE N N 15 912.7 62.3 . . 142 ILE N 16737 1 103 . 1 1 143 143 GLU N N 15 853.4 42.6 . . 143 GLU N 16737 1 104 . 1 1 144 144 ILE N N 15 803.9 66.7 . . 144 ILE N 16737 1 105 . 1 1 145 145 ASN N N 15 811.2 48 . . 145 ASN N 16737 1 106 . 1 1 146 146 LEU N N 15 641.6 96.5 . . 146 LEU N 16737 1 107 . 1 1 147 147 GLU N N 15 588.1 96.9 . . 147 GLU N 16737 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 16737 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'ethylene glycol' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units ms-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 '2D 1H-15N HSQC T2 edited' . . . 16737 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 GLY N N 15 53.06 5.62 . . . . 2 GLY N 16737 1 2 . 1 1 3 3 ASN N N 15 49 2.84 . . . . 3 ASN N 16737 1 3 . 1 1 5 5 LEU N N 15 67.85 6.12 . . . . 5 LEU N 16737 1 4 . 1 1 6 6 TYR N N 15 71.68 6.13 . . . . 6 TYR N 16737 1 5 . 1 1 7 7 ARG N N 15 66.95 3.37 . . . . 7 ARG N 16737 1 6 . 1 1 8 8 GLY N N 15 63.32 4.22 . . . . 8 GLY N 16737 1 7 . 1 1 9 9 ILE N N 15 58.54 1.91 . . . . 9 ILE N 16737 1 8 . 1 1 10 10 SER N N 15 57.85 2.64 . . . . 10 SER N 16737 1 9 . 1 1 11 11 CYS N N 15 57.13 3.12 . . . . 11 CYS N 16737 1 10 . 1 1 12 12 GLN N N 15 56.61 2.41 . . . . 12 GLN N 16737 1 11 . 1 1 13 13 GLN N N 15 62.4 3 . . . . 13 GLN N 16737 1 12 . 1 1 14 14 ASP N N 15 54.85 2.89 . . . . 14 ASP N 16737 1 13 . 1 1 15 15 GLU N N 15 64.36 3.32 . . . . 15 GLU N 16737 1 14 . 1 1 16 16 GLN N N 15 65.09 2.45 . . . . 16 GLN N 16737 1 15 . 1 1 17 17 ASN N N 15 58.48 5.54 . . . . 17 ASN N 16737 1 16 . 1 1 18 18 ASN N N 15 57.04 5.22 . . . . 18 ASN N 16737 1 17 . 1 1 19 19 GLY N N 15 56.03 5.59 . . . . 19 GLY N 16737 1 18 . 1 1 20 20 GLN N N 15 63.76 4.62 . . . . 20 GLN N 16737 1 19 . 1 1 21 21 LEU N N 15 65.22 4.78 . . . . 21 LEU N 16737 1 20 . 1 1 22 22 LYS N N 15 60.95 7 . . . . 22 LYS N 16737 1 21 . 1 1 24 24 LYS N N 15 111.1 13 . . . . 24 LYS N 16737 1 22 . 1 1 25 25 GLY N N 15 57.81 5.23 . . . . 25 GLY N 16737 1 23 . 1 1 29 29 GLU N N 15 65.76 3.83 . . . . 29 GLU N 16737 1 24 . 1 1 30 30 VAL N N 15 82.41 4.7 . . . . 30 VAL N 16737 1 25 . 1 1 31 31 ALA N N 15 69.59 3.96 . . . . 31 ALA N 16737 1 26 . 1 1 34 34 TYR N N 15 73 5.25 . . . . 34 TYR N 16737 1 27 . 1 1 35 35 ASP N N 15 68.78 2.3 . . . . 35 ASP N 16737 1 28 . 1 1 36 36 GLY N N 15 70.8 8.68 . . . . 36 GLY N 16737 1 29 . 1 1 39 39 LYS N N 15 66.25 4.31 . . . . 39 LYS N 16737 1 30 . 1 1 42 42 GLY N N 15 75.97 10.8 . . . . 42 GLY N 16737 1 31 . 1 1 44 44 ALA N N 15 69.52 6.4 . . . . 44 ALA N 16737 1 32 . 1 1 46 46 HIS N N 15 119.8 12.6 . . . . 46 HIS N 16737 1 33 . 1 1 50 50 VAL N N 15 83.48 8.96 . . . . 50 VAL N 16737 1 34 . 1 1 51 51 LYS N N 15 81.5 7.44 . . . . 51 LYS N 16737 1 35 . 1 1 54 54 VAL N N 15 81.95 8.55 . . . . 54 VAL N 16737 1 36 . 1 1 55 55 TYR N N 15 69.44 4.5 . . . . 55 TYR N 16737 1 37 . 1 1 59 59 ILE N N 15 75.78 2.94 . . . . 59 ILE N 16737 1 38 . 1 1 61 61 THR N N 15 47.33 6 . . . . 61 THR N 16737 1 39 . 1 1 62 62 GLY N N 15 49.28 7.45 . . . . 62 GLY N 16737 1 40 . 1 1 63 63 LEU N N 15 59.9 6.72 . . . . 63 LEU N 16737 1 41 . 1 1 64 64 TYR N N 15 59.58 2.45 . . . . 64 TYR N 16737 1 42 . 1 1 67 67 CYS N N 15 43.99 2.64 . . . . 67 CYS N 16737 1 43 . 1 1 68 68 TYR N N 15 49.69 4.98 . . . . 68 TYR N 16737 1 44 . 1 1 69 69 ILE N N 15 55.47 2.92 . . . . 69 ILE N 16737 1 45 . 1 1 70 70 SER N N 15 63.96 4.49 . . . . 70 SER N 16737 1 46 . 1 1 71 71 THR N N 15 53.92 2.28 . . . . 71 THR N 16737 1 47 . 1 1 72 72 THR N N 15 61.73 2.35 . . . . 72 THR N 16737 1 48 . 1 1 74 74 ASP N N 15 52.68 1.92 . . . . 74 ASP N 16737 1 49 . 1 1 75 75 LYS N N 15 60.79 2.32 . . . . 75 LYS N 16737 1 50 . 1 1 77 77 ILE N N 15 67.45 4.07 . . . . 77 ILE N 16737 1 51 . 1 1 78 78 ALA N N 15 63.42 2.94 . . . . 78 ALA N 16737 1 52 . 1 1 80 80 LYS N N 15 66.08 4.71 . . . . 80 LYS N 16737 1 53 . 1 1 81 81 PHE N N 15 66.73 5.47 . . . . 81 PHE N 16737 1 54 . 1 1 82 82 ALA N N 15 68.19 4.42 . . . . 82 ALA N 16737 1 55 . 1 1 83 83 THR N N 15 63.07 2.35 . . . . 83 THR N 16737 1 56 . 1 1 84 84 SER N N 15 53.27 2.7 . . . . 84 SER N 16737 1 57 . 1 1 85 85 SER N N 15 60.86 2.69 . . . . 85 SER N 16737 1 58 . 1 1 86 86 GLY N N 15 57.07 5.97 . . . . 86 GLY N 16737 1 59 . 1 1 87 87 ILE N N 15 58.32 2.18 . . . . 87 ILE N 16737 1 60 . 1 1 88 88 GLU N N 15 68.75 7.14 . . . . 88 GLU N 16737 1 61 . 1 1 89 89 ASN N N 15 68.13 3.28 . . . . 89 ASN N 16737 1 62 . 1 1 90 90 GLY N N 15 58.59 3.27 . . . . 90 GLY N 16737 1 63 . 1 1 91 91 TYR N N 15 59.24 3.13 . . . . 91 TYR N 16737 1 64 . 1 1 92 92 ILE N N 15 70.83 4.27 . . . . 92 ILE N 16737 1 65 . 1 1 93 93 TYR N N 15 66.79 4.35 . . . . 93 TYR N 16737 1 66 . 1 1 94 94 VAL N N 15 72.87 4.73 . . . . 94 VAL N 16737 1 67 . 1 1 95 95 LEU N N 15 69.09 4 . . . . 95 LEU N 16737 1 68 . 1 1 96 96 ASN N N 15 68.9 5.65 . . . . 96 ASN N 16737 1 69 . 1 1 97 97 ARG N N 15 82.39 3.71 . . . . 97 ARG N 16737 1 70 . 1 1 98 98 ASP N N 15 54.53 4.32 . . . . 98 ASP N 16737 1 71 . 1 1 99 99 LEU N N 15 65.56 3.45 . . . . 99 LEU N 16737 1 72 . 1 1 100 100 PHE N N 15 58.75 4.35 . . . . 100 PHE N 16737 1 73 . 1 1 101 101 GLY N N 15 46.58 3.89 . . . . 101 GLY N 16737 1 74 . 1 1 103 103 TYR N N 15 68.23 2.75 . . . . 103 TYR N 16737 1 75 . 1 1 104 104 SER N N 15 65.79 2.66 . . . . 104 SER N 16737 1 76 . 1 1 106 106 PHE N N 15 67 5.82 . . . . 106 PHE N 16737 1 77 . 1 1 107 107 GLU N N 15 63 2.49 . . . . 107 GLU N 16737 1 78 . 1 1 109 109 GLU N N 15 58.23 4.03 . . . . 109 GLU N 16737 1 79 . 1 1 110 110 VAL N N 15 60.14 2.12 . . . . 110 VAL N 16737 1 80 . 1 1 111 111 GLU N N 15 66.39 3.42 . . . . 111 GLU N 16737 1 81 . 1 1 112 112 HIS N N 15 47.21 3.64 . . . . 112 HIS N 16737 1 82 . 1 1 114 114 GLU N N 15 68.82 6.78 . . . . 114 GLU N 16737 1 83 . 1 1 115 115 ASN N N 15 63.84 2.19 . . . . 115 ASN N 16737 1 84 . 1 1 117 117 ASN N N 15 59.76 3.02 . . . . 117 ASN N 16737 1 85 . 1 1 119 119 LYS N N 15 57.72 2.16 . . . . 119 LYS N 16737 1 86 . 1 1 120 120 GLU N N 15 53.44 3.59 . . . . 120 GLU N 16737 1 87 . 1 1 121 121 VAL N N 15 55.84 5.65 . . . . 121 VAL N 16737 1 88 . 1 1 122 122 THR N N 15 57.82 4.49 . . . . 122 THR N 16737 1 89 . 1 1 123 123 ILE N N 15 59.59 4.93 . . . . 123 ILE N 16737 1 90 . 1 1 125 125 ALA N N 15 59.22 4.63 . . . . 125 ALA N 16737 1 91 . 1 1 126 126 GLU N N 15 53.47 2.87 . . . . 126 GLU N 16737 1 92 . 1 1 128 128 CYS N N 15 47.18 4.48 . . . . 128 CYS N 16737 1 93 . 1 1 131 131 ILE N N 15 57.44 3.86 . . . . 131 ILE N 16737 1 94 . 1 1 133 133 GLU N N 15 73.16 1.82 . . . . 133 GLU N 16737 1 95 . 1 1 134 134 GLU N N 15 65.19 4.14 . . . . 134 GLU N 16737 1 96 . 1 1 135 135 VAL N N 15 71.18 2.06 . . . . 135 VAL N 16737 1 97 . 1 1 136 136 ILE N N 15 65.81 2.31 . . . . 136 ILE N 16737 1 98 . 1 1 137 137 ILE N N 15 73.83 2.36 . . . . 137 ILE N 16737 1 99 . 1 1 138 138 ALA N N 15 65.25 3.71 . . . . 138 ALA N 16737 1 100 . 1 1 140 140 GLU N N 15 63.14 4 . . . . 140 GLU N 16737 1 101 . 1 1 141 141 LEU N N 15 75.07 3.03 . . . . 141 LEU N 16737 1 102 . 1 1 142 142 ILE N N 15 60.76 2.83 . . . . 142 ILE N 16737 1 103 . 1 1 143 143 GLU N N 15 72.03 1.87 . . . . 143 GLU N 16737 1 104 . 1 1 144 144 ILE N N 15 71.38 3.79 . . . . 144 ILE N 16737 1 105 . 1 1 145 145 ASN N N 15 61.49 3.24 . . . . 145 ASN N 16737 1 106 . 1 1 146 146 LEU N N 15 87.4 5.31 . . . . 146 LEU N 16737 1 107 . 1 1 147 147 GLU N N 15 98.26 14.8 . . . . 147 GLU N 16737 1 stop_ save_