data_6688 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6688 _Entry.Title ; NMR chemical shift entry for protein Rv1980c (MPT64) from M. tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-13 _Entry.Accession_date 2005-06-13 _Entry.Last_release_date 2015-09-02 _Entry.Original_release_date 2015-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.81 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jessica Danahy . M. . 6688 2 Belinda Potter . M. . 6688 3 Brian Geisbrecht . V. . 6688 4 John Laity . H. . 6688 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6688 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 832 6688 '15N chemical shifts' 199 6688 '1H chemical shifts' 1207 6688 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 . . 2015-09-02 . original BMRB . 6688 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6688 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16222561 _Citation.Full_citation . _Citation.Title ; NMR Assignment of Protein Rv1980c from Mycobacterium Tuberculosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 73 _Citation.Year 2005 _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 Jessica Danahy . M. . 6688 1 2 Belinda Potter . M. . 6688 1 3 Brian Geisbrecht . V. . 6688 1 4 John Laity . H. . 6688 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 6688 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMRView: A computer program for the visualization and analysis of NMR Data ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 603 _Citation.Page_last 614 _Citation.Year 1994 _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 B. Johnson . A. . 6688 2 2 R. Blevins . A. . 6688 2 stop_ save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 6688 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMRPipe: a multidimensional spectral processing system based on UNIX pipes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _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 F. Delaglio . . . 6688 3 2 S. Grzesiek . . . 6688 3 3 G. Vuister . W. . 6688 3 4 G. Zhu . . . 6688 3 5 J. Pfeifer . . . 6688 3 6 A. Bax . . . 6688 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6688 _Assembly.ID 1 _Assembly.Name 'Rv1980c (monomer)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 22564 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6688 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rv1980c (MPT64)' 1 $Rv1980c_(MPT64)_polypeptide . . yes native no no . 'Polypeptide Chain' . 6688 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 SING . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 19 19 SG . . . . . . . . . . 6688 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'Rv1980c (MPT64)' na 6688 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Possible Secreted Virulence Factor' 6688 1 Unknown 6688 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID MPT64 6688 1 'Mycobacterium tuberculosis' 6688 1 Rv1980c 6688 1 'virulence factor' 6688 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv1980c_(MPT64)_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Rv1980c_(MPT64)_polypeptide _Entity.Entry_ID 6688 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rv1980c (MPT64) polypeptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPKTYCEELKGTDTGQACQ IQMSDPAYNINISLPSYYPD QKSLENYIAQTRDKFLSAAT SSTPREAPYELNITSATYQS AIPPRGTQAVVLKVYQNAGG THPTTTYKAFDWDQAYRKPI TYDTLWQADTDPLPVVFPIV QGELSKQTGQQVSIAPNAGL DPVNYQNFAVTNDGVIFFFN PGELLPEAAGPTQVLVPRSA IDSMLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _Entity.Polymer_author_seq_details 'Sequence of recombinant, mature polypeptide.' _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 206 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22564 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Cys7-Cys19 Disulfide' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Possible Virulence Factor' 6688 1 Unknown 6688 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Rv1980c (MPT64)' na 6688 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID MPT64 6688 1 'Mycobacterium tuberculosis' 6688 1 Rv1980c 6688 1 'Virulence factor' 6688 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 . 6688 1 2 . ALA . 6688 1 3 . PRO . 6688 1 4 . LYS . 6688 1 5 . THR . 6688 1 6 . TYR . 6688 1 7 . CYS . 6688 1 8 . GLU . 6688 1 9 . GLU . 6688 1 10 . LEU . 6688 1 11 . LYS . 6688 1 12 . GLY . 6688 1 13 . THR . 6688 1 14 . ASP . 6688 1 15 . THR . 6688 1 16 . GLY . 6688 1 17 . GLN . 6688 1 18 . ALA . 6688 1 19 . CYS . 6688 1 20 . GLN . 6688 1 21 . ILE . 6688 1 22 . GLN . 6688 1 23 . MET . 6688 1 24 . SER . 6688 1 25 . ASP . 6688 1 26 . PRO . 6688 1 27 . ALA . 6688 1 28 . TYR . 6688 1 29 . ASN . 6688 1 30 . ILE . 6688 1 31 . ASN . 6688 1 32 . ILE . 6688 1 33 . SER . 6688 1 34 . LEU . 6688 1 35 . PRO . 6688 1 36 . SER . 6688 1 37 . TYR . 6688 1 38 . TYR . 6688 1 39 . PRO . 6688 1 40 . ASP . 6688 1 41 . GLN . 6688 1 42 . LYS . 6688 1 43 . SER . 6688 1 44 . LEU . 6688 1 45 . GLU . 6688 1 46 . ASN . 6688 1 47 . TYR . 6688 1 48 . ILE . 6688 1 49 . ALA . 6688 1 50 . GLN . 6688 1 51 . THR . 6688 1 52 . ARG . 6688 1 53 . ASP . 6688 1 54 . LYS . 6688 1 55 . PHE . 6688 1 56 . LEU . 6688 1 57 . SER . 6688 1 58 . ALA . 6688 1 59 . ALA . 6688 1 60 . THR . 6688 1 61 . SER . 6688 1 62 . SER . 6688 1 63 . THR . 6688 1 64 . PRO . 6688 1 65 . ARG . 6688 1 66 . GLU . 6688 1 67 . ALA . 6688 1 68 . PRO . 6688 1 69 . TYR . 6688 1 70 . GLU . 6688 1 71 . LEU . 6688 1 72 . ASN . 6688 1 73 . ILE . 6688 1 74 . THR . 6688 1 75 . SER . 6688 1 76 . ALA . 6688 1 77 . THR . 6688 1 78 . TYR . 6688 1 79 . GLN . 6688 1 80 . SER . 6688 1 81 . ALA . 6688 1 82 . ILE . 6688 1 83 . PRO . 6688 1 84 . PRO . 6688 1 85 . ARG . 6688 1 86 . GLY . 6688 1 87 . THR . 6688 1 88 . GLN . 6688 1 89 . ALA . 6688 1 90 . VAL . 6688 1 91 . VAL . 6688 1 92 . LEU . 6688 1 93 . LYS . 6688 1 94 . VAL . 6688 1 95 . TYR . 6688 1 96 . GLN . 6688 1 97 . ASN . 6688 1 98 . ALA . 6688 1 99 . GLY . 6688 1 100 . GLY . 6688 1 101 . THR . 6688 1 102 . HIS . 6688 1 103 . PRO . 6688 1 104 . THR . 6688 1 105 . THR . 6688 1 106 . THR . 6688 1 107 . TYR . 6688 1 108 . LYS . 6688 1 109 . ALA . 6688 1 110 . PHE . 6688 1 111 . ASP . 6688 1 112 . TRP . 6688 1 113 . ASP . 6688 1 114 . GLN . 6688 1 115 . ALA . 6688 1 116 . TYR . 6688 1 117 . ARG . 6688 1 118 . LYS . 6688 1 119 . PRO . 6688 1 120 . ILE . 6688 1 121 . THR . 6688 1 122 . TYR . 6688 1 123 . ASP . 6688 1 124 . THR . 6688 1 125 . LEU . 6688 1 126 . TRP . 6688 1 127 . GLN . 6688 1 128 . ALA . 6688 1 129 . ASP . 6688 1 130 . THR . 6688 1 131 . ASP . 6688 1 132 . PRO . 6688 1 133 . LEU . 6688 1 134 . PRO . 6688 1 135 . VAL . 6688 1 136 . VAL . 6688 1 137 . PHE . 6688 1 138 . PRO . 6688 1 139 . ILE . 6688 1 140 . VAL . 6688 1 141 . GLN . 6688 1 142 . GLY . 6688 1 143 . GLU . 6688 1 144 . LEU . 6688 1 145 . SER . 6688 1 146 . LYS . 6688 1 147 . GLN . 6688 1 148 . THR . 6688 1 149 . GLY . 6688 1 150 . GLN . 6688 1 151 . GLN . 6688 1 152 . VAL . 6688 1 153 . SER . 6688 1 154 . ILE . 6688 1 155 . ALA . 6688 1 156 . PRO . 6688 1 157 . ASN . 6688 1 158 . ALA . 6688 1 159 . GLY . 6688 1 160 . LEU . 6688 1 161 . ASP . 6688 1 162 . PRO . 6688 1 163 . VAL . 6688 1 164 . ASN . 6688 1 165 . TYR . 6688 1 166 . GLN . 6688 1 167 . ASN . 6688 1 168 . PHE . 6688 1 169 . ALA . 6688 1 170 . VAL . 6688 1 171 . THR . 6688 1 172 . ASN . 6688 1 173 . ASP . 6688 1 174 . GLY . 6688 1 175 . VAL . 6688 1 176 . ILE . 6688 1 177 . PHE . 6688 1 178 . PHE . 6688 1 179 . PHE . 6688 1 180 . ASN . 6688 1 181 . PRO . 6688 1 182 . GLY . 6688 1 183 . GLU . 6688 1 184 . LEU . 6688 1 185 . LEU . 6688 1 186 . PRO . 6688 1 187 . GLU . 6688 1 188 . ALA . 6688 1 189 . ALA . 6688 1 190 . GLY . 6688 1 191 . PRO . 6688 1 192 . THR . 6688 1 193 . GLN . 6688 1 194 . VAL . 6688 1 195 . LEU . 6688 1 196 . VAL . 6688 1 197 . PRO . 6688 1 198 . ARG . 6688 1 199 . SER . 6688 1 200 . ALA . 6688 1 201 . ILE . 6688 1 202 . ASP . 6688 1 203 . SER . 6688 1 204 . MET . 6688 1 205 . LEU . 6688 1 206 . ALA . 6688 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 6688 1 . ALA 2 2 6688 1 . PRO 3 3 6688 1 . LYS 4 4 6688 1 . THR 5 5 6688 1 . TYR 6 6 6688 1 . CYS 7 7 6688 1 . GLU 8 8 6688 1 . GLU 9 9 6688 1 . LEU 10 10 6688 1 . LYS 11 11 6688 1 . GLY 12 12 6688 1 . THR 13 13 6688 1 . ASP 14 14 6688 1 . THR 15 15 6688 1 . GLY 16 16 6688 1 . GLN 17 17 6688 1 . ALA 18 18 6688 1 . CYS 19 19 6688 1 . GLN 20 20 6688 1 . ILE 21 21 6688 1 . GLN 22 22 6688 1 . MET 23 23 6688 1 . SER 24 24 6688 1 . ASP 25 25 6688 1 . PRO 26 26 6688 1 . ALA 27 27 6688 1 . TYR 28 28 6688 1 . ASN 29 29 6688 1 . ILE 30 30 6688 1 . ASN 31 31 6688 1 . ILE 32 32 6688 1 . SER 33 33 6688 1 . LEU 34 34 6688 1 . PRO 35 35 6688 1 . SER 36 36 6688 1 . TYR 37 37 6688 1 . TYR 38 38 6688 1 . PRO 39 39 6688 1 . ASP 40 40 6688 1 . GLN 41 41 6688 1 . LYS 42 42 6688 1 . SER 43 43 6688 1 . LEU 44 44 6688 1 . GLU 45 45 6688 1 . ASN 46 46 6688 1 . TYR 47 47 6688 1 . ILE 48 48 6688 1 . ALA 49 49 6688 1 . GLN 50 50 6688 1 . THR 51 51 6688 1 . ARG 52 52 6688 1 . ASP 53 53 6688 1 . LYS 54 54 6688 1 . PHE 55 55 6688 1 . LEU 56 56 6688 1 . SER 57 57 6688 1 . ALA 58 58 6688 1 . ALA 59 59 6688 1 . THR 60 60 6688 1 . SER 61 61 6688 1 . SER 62 62 6688 1 . THR 63 63 6688 1 . PRO 64 64 6688 1 . ARG 65 65 6688 1 . GLU 66 66 6688 1 . ALA 67 67 6688 1 . PRO 68 68 6688 1 . TYR 69 69 6688 1 . GLU 70 70 6688 1 . LEU 71 71 6688 1 . ASN 72 72 6688 1 . ILE 73 73 6688 1 . THR 74 74 6688 1 . SER 75 75 6688 1 . ALA 76 76 6688 1 . THR 77 77 6688 1 . TYR 78 78 6688 1 . GLN 79 79 6688 1 . SER 80 80 6688 1 . ALA 81 81 6688 1 . ILE 82 82 6688 1 . PRO 83 83 6688 1 . PRO 84 84 6688 1 . ARG 85 85 6688 1 . GLY 86 86 6688 1 . THR 87 87 6688 1 . GLN 88 88 6688 1 . ALA 89 89 6688 1 . VAL 90 90 6688 1 . VAL 91 91 6688 1 . LEU 92 92 6688 1 . LYS 93 93 6688 1 . VAL 94 94 6688 1 . TYR 95 95 6688 1 . GLN 96 96 6688 1 . ASN 97 97 6688 1 . ALA 98 98 6688 1 . GLY 99 99 6688 1 . GLY 100 100 6688 1 . THR 101 101 6688 1 . HIS 102 102 6688 1 . PRO 103 103 6688 1 . THR 104 104 6688 1 . THR 105 105 6688 1 . THR 106 106 6688 1 . TYR 107 107 6688 1 . LYS 108 108 6688 1 . ALA 109 109 6688 1 . PHE 110 110 6688 1 . ASP 111 111 6688 1 . TRP 112 112 6688 1 . ASP 113 113 6688 1 . GLN 114 114 6688 1 . ALA 115 115 6688 1 . TYR 116 116 6688 1 . ARG 117 117 6688 1 . LYS 118 118 6688 1 . PRO 119 119 6688 1 . ILE 120 120 6688 1 . THR 121 121 6688 1 . TYR 122 122 6688 1 . ASP 123 123 6688 1 . THR 124 124 6688 1 . LEU 125 125 6688 1 . TRP 126 126 6688 1 . GLN 127 127 6688 1 . ALA 128 128 6688 1 . ASP 129 129 6688 1 . THR 130 130 6688 1 . ASP 131 131 6688 1 . PRO 132 132 6688 1 . LEU 133 133 6688 1 . PRO 134 134 6688 1 . VAL 135 135 6688 1 . VAL 136 136 6688 1 . PHE 137 137 6688 1 . PRO 138 138 6688 1 . ILE 139 139 6688 1 . VAL 140 140 6688 1 . GLN 141 141 6688 1 . GLY 142 142 6688 1 . GLU 143 143 6688 1 . LEU 144 144 6688 1 . SER 145 145 6688 1 . LYS 146 146 6688 1 . GLN 147 147 6688 1 . THR 148 148 6688 1 . GLY 149 149 6688 1 . GLN 150 150 6688 1 . GLN 151 151 6688 1 . VAL 152 152 6688 1 . SER 153 153 6688 1 . ILE 154 154 6688 1 . ALA 155 155 6688 1 . PRO 156 156 6688 1 . ASN 157 157 6688 1 . ALA 158 158 6688 1 . GLY 159 159 6688 1 . LEU 160 160 6688 1 . ASP 161 161 6688 1 . PRO 162 162 6688 1 . VAL 163 163 6688 1 . ASN 164 164 6688 1 . TYR 165 165 6688 1 . GLN 166 166 6688 1 . ASN 167 167 6688 1 . PHE 168 168 6688 1 . ALA 169 169 6688 1 . VAL 170 170 6688 1 . THR 171 171 6688 1 . ASN 172 172 6688 1 . ASP 173 173 6688 1 . GLY 174 174 6688 1 . VAL 175 175 6688 1 . ILE 176 176 6688 1 . PHE 177 177 6688 1 . PHE 178 178 6688 1 . PHE 179 179 6688 1 . ASN 180 180 6688 1 . PRO 181 181 6688 1 . GLY 182 182 6688 1 . GLU 183 183 6688 1 . LEU 184 184 6688 1 . LEU 185 185 6688 1 . PRO 186 186 6688 1 . GLU 187 187 6688 1 . ALA 188 188 6688 1 . ALA 189 189 6688 1 . GLY 190 190 6688 1 . PRO 191 191 6688 1 . THR 192 192 6688 1 . GLN 193 193 6688 1 . VAL 194 194 6688 1 . LEU 195 195 6688 1 . VAL 196 196 6688 1 . PRO 197 197 6688 1 . ARG 198 198 6688 1 . SER 199 199 6688 1 . ALA 200 200 6688 1 . ILE 201 201 6688 1 . ASP 202 202 6688 1 . SER 203 203 6688 1 . MET 204 204 6688 1 . LEU 205 205 6688 1 . ALA 206 206 6688 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 6688 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rv1980c_(MPT64)_polypeptide . 83332 organism . . 'Mycobacterium tuberculosis' . . Eubacteria 'Not applicable' Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . 6688 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 6688 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Rv1980c_(MPT64)_polypeptide . 'recombinant technology' . 'E. coli' . 562 Escherichia coli BL21 'DE3 lysogen' . . . . . . . . 6688 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6688 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'MES, D2O, NaN3, DSS' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rv1980c (MPT64) polypeptide' '[U-15N; U-13C]' . . 1 $Rv1980c_(MPT64)_polypeptide . protein 2.0 . . mM 0.05 . . . 6688 1 2 MES . . . . . . buffer 20 . . mM . . . . 6688 1 3 D2O . . . . . . . 5 . . % . . . . 6688 1 4 NaN3 . . . . . . . 1 . . mM . . . . 6688 1 5 DSS . . . . . . 'internal reference' 0.2 . . mM . . . . 6688 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6688 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.85 0.03 pH 6688 1 temperature 303 0.1 K 6688 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6688 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6688 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_2 6688 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6688 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Raw spectral data processing' 6688 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $citation_3 6688 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_14.1_T_Varian_Inova_600_Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 14.1_T_Varian_Inova_600_Mhz _NMR_spectrometer.Entry_ID 6688 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance {1H, 15N, 13C} probe (cryoprobe)' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6688 _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 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 5 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 7 '3D 13C-NOESY-HSQC (centered at 43 ppm)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 8 '3D 13C-NOESY-HSQC (centered at 125 ppm)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 11 '3D 15N-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 12 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600_Mhz . . . . . . . . . . . . . . . . 6688 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 2D_1H-15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNHA _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D_HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D_CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D_HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_(HCA)CO(CA)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_(HCA)CO(CA)NH _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D_(HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D_HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_15N-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-NOESY-HSQC _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 3D_15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-COSY _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D_HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-TOCSY _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D_HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_13C-NOESY-HSQC_(centered_at_43_ppm) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-NOESY-HSQC_(centered_at_43_ppm) _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 3D_13C-NOESY-HSQC_(centered_at_43_ppm) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_13C-NOESY-HSQC_(centered_at_125_ppm) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-NOESY-HSQC_(centered_at_125_ppm) _NMR_spec_expt.Entry_ID 6688 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 3D_13C-NOESY-HSQC_(centered_at_125_ppm) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6688 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6688 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6688 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6688 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6688 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N_HSQC' 1 $sample_1 isotropic 6688 1 2 '3D HNCACB' 1 $sample_1 isotropic 6688 1 3 '3D HNHA' 1 $sample_1 isotropic 6688 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 6688 1 5 '3D HNCA' 1 $sample_1 isotropic 6688 1 6 '3D (HCA)CO(CA)NH' 1 $sample_1 isotropic 6688 1 7 '3D HNCO' 1 $sample_1 isotropic 6688 1 8 '3D 15N-NOESY-HSQC' 1 $sample_1 isotropic 6688 1 9 '3D HCCH-COSY' 1 $sample_1 isotropic 6688 1 10 '3D HCCH-TOCSY' 1 $sample_1 isotropic 6688 1 11 '3D 13C-NOESY-HSQC (centered at 43 ppm)' 1 $sample_1 isotropic 6688 1 12 '3D 13C-NOESY-HSQC (centered at 125 ppm)' 1 $sample_1 isotropic 6688 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6688 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 3 3 PRO HA H 1 4.31 0.015 . 1 . . . . 3 PRO HA . 6688 1 2 . 1 1 3 3 PRO HB2 H 1 2.06 0.02 . 1 . . . . 3 PRO HB2 . 6688 1 3 . 1 1 3 3 PRO HB3 H 1 1.91 0.02 . 1 . . . . 3 PRO HB3 . 6688 1 4 . 1 1 3 3 PRO HD2 H 1 2.97 0.02 . 9 . . . . 3 PRO HD2 . 6688 1 5 . 1 1 3 3 PRO C C 13 176.6 0.08 . 1 . . . . 3 PRO C . 6688 1 6 . 1 1 3 3 PRO CA C 13 62.71 0.31 . 1 . . . . 3 PRO CA . 6688 1 7 . 1 1 3 3 PRO CB C 13 32.13 0.31 . 1 . . . . 3 PRO CB . 6688 1 8 . 1 1 3 3 PRO CD C 13 50.64 0.31 . 9 . . . . 3 PRO CD . 6688 1 9 . 1 1 4 4 LYS H H 1 8.53 0.015 . 1 . . . . 4 LYS H . 6688 1 10 . 1 1 4 4 LYS HA H 1 4.45 0.015 . 1 . . . . 4 LYS HA . 6688 1 11 . 1 1 4 4 LYS HB2 H 1 1.86 0.02 . 1 . . . . 4 LYS HB2 . 6688 1 12 . 1 1 4 4 LYS HB3 H 1 1.78 0.02 . 1 . . . . 4 LYS HB3 . 6688 1 13 . 1 1 4 4 LYS HG2 H 1 1.49 0.02 . 1 . . . . 4 LYS HG2 . 6688 1 14 . 1 1 4 4 LYS HG3 H 1 1.43 0.02 . 1 . . . . 4 LYS HG3 . 6688 1 15 . 1 1 4 4 LYS HD2 H 1 1.63 0.02 . 1 . . . . 4 LYS HD2 . 6688 1 16 . 1 1 4 4 LYS HD3 H 1 1.59 0.02 . 1 . . . . 4 LYS HD3 . 6688 1 17 . 1 1 4 4 LYS HE2 H 1 2.95 0.02 . 1 . . . . 4 LYS HE2 . 6688 1 18 . 1 1 4 4 LYS C C 13 177.3 0.08 . 1 . . . . 4 LYS C . 6688 1 19 . 1 1 4 4 LYS CA C 13 56.24 0.31 . 1 . . . . 4 LYS CA . 6688 1 20 . 1 1 4 4 LYS CB C 13 33.74 0.31 . 1 . . . . 4 LYS CB . 6688 1 21 . 1 1 4 4 LYS CG C 13 25.02 0.31 . 1 . . . . 4 LYS CG . 6688 1 22 . 1 1 4 4 LYS CD C 13 28.77 0.31 . 1 . . . . 4 LYS CD . 6688 1 23 . 1 1 4 4 LYS CE C 13 41.89 0.31 . 1 . . . . 4 LYS CE . 6688 1 24 . 1 1 4 4 LYS N N 15 122.3 0.14 . 1 . . . . 4 LYS N . 6688 1 25 . 1 1 5 5 THR H H 1 8.47 0.015 . 1 . . . . 5 THR H . 6688 1 26 . 1 1 5 5 THR HA H 1 4.7 0.015 . 1 . . . . 5 THR HA . 6688 1 27 . 1 1 5 5 THR HB H 1 4.45 0.02 . 1 . . . . 5 THR HB . 6688 1 28 . 1 1 5 5 THR HG21 H 1 1.24 0.02 . 1 . . . . 5 THR HG2 . 6688 1 29 . 1 1 5 5 THR HG22 H 1 1.24 0.02 . 1 . . . . 5 THR HG2 . 6688 1 30 . 1 1 5 5 THR HG23 H 1 1.24 0.02 . 1 . . . . 5 THR HG2 . 6688 1 31 . 1 1 5 5 THR C C 13 176.1 0.08 . 1 . . . . 5 THR C . 6688 1 32 . 1 1 5 5 THR CA C 13 60.36 0.31 . 1 . . . . 5 THR CA . 6688 1 33 . 1 1 5 5 THR CB C 13 71.28 0.31 . 1 . . . . 5 THR CB . 6688 1 34 . 1 1 5 5 THR CG2 C 13 20.95 0.31 . 1 . . . . 5 THR CG2 . 6688 1 35 . 1 1 5 5 THR N N 15 113.4 0.14 . 1 . . . . 5 THR N . 6688 1 36 . 1 1 6 6 TYR H H 1 8.26 0.015 . 1 . . . . 6 TYR H . 6688 1 37 . 1 1 6 6 TYR HA H 1 4.42 0.015 . 1 . . . . 6 TYR HA . 6688 1 38 . 1 1 6 6 TYR HB2 H 1 3.12 0.015 . 1 . . . . 6 TYR HB2 . 6688 1 39 . 1 1 6 6 TYR HB3 H 1 2.96 0.015 . 1 . . . . 6 TYR HB3 . 6688 1 40 . 1 1 6 6 TYR HD1 H 1 6.86 0.015 . 3 . . . . 6 TYR HD1 . 6688 1 41 . 1 1 6 6 TYR HE1 H 1 6.63 0.015 . 3 . . . . 6 TYR HE1 . 6688 1 42 . 1 1 6 6 TYR C C 13 177 0.08 . 1 . . . . 6 TYR C . 6688 1 43 . 1 1 6 6 TYR CA C 13 59.23 0.31 . 1 . . . . 6 TYR CA . 6688 1 44 . 1 1 6 6 TYR CB C 13 37.18 0.31 . 1 . . . . 6 TYR CB . 6688 1 45 . 1 1 6 6 TYR CD1 C 13 134.26 0.31 . 3 . . . . 6 TYR CD1 . 6688 1 46 . 1 1 6 6 TYR CE1 C 13 118.45 0.31 . 3 . . . . 6 TYR CE1 . 6688 1 47 . 1 1 6 6 TYR N N 15 117.7 0.14 . 1 . . . . 6 TYR N . 6688 1 48 . 1 1 7 7 CYS H H 1 7.64 0.015 . 1 . . . . 7 CYS H . 6688 1 49 . 1 1 7 7 CYS HA H 1 4.73 0.015 . 1 . . . . 7 CYS HA . 6688 1 50 . 1 1 7 7 CYS HB2 H 1 3.13 0.02 . 4 . . . . 7 CYS HB2 . 6688 1 51 . 1 1 7 7 CYS C C 13 176.4 0.08 . 1 . . . . 7 CYS C . 6688 1 52 . 1 1 7 7 CYS CA C 13 58.75 0.31 . 1 . . . . 7 CYS CA . 6688 1 53 . 1 1 7 7 CYS CB C 13 39.71 0.31 . 1 . . . . 7 CYS CB . 6688 1 54 . 1 1 7 7 CYS N N 15 121.2 0.14 . 1 . . . . 7 CYS N . 6688 1 55 . 1 1 8 8 GLU H H 1 7.54 0.015 . 1 . . . . 8 GLU H . 6688 1 56 . 1 1 8 8 GLU HA H 1 4.1 0.015 . 1 . . . . 8 GLU HA . 6688 1 57 . 1 1 8 8 GLU HB2 H 1 2.21 0.02 . 5 . . . . 8 GLU HB2 . 6688 1 58 . 1 1 8 8 GLU HB3 H 1 1.99 0.02 . 5 . . . . 8 GLU HB3 . 6688 1 59 . 1 1 8 8 GLU HG2 H 1 2.55 0.02 . 5 . . . . 8 GLU HG2 . 6688 1 60 . 1 1 8 8 GLU HG3 H 1 2.39 0.02 . 5 . . . . 8 GLU HG3 . 6688 1 61 . 1 1 8 8 GLU C C 13 181.4 0.08 . 1 . . . . 8 GLU C . 6688 1 62 . 1 1 8 8 GLU CA C 13 58.75 0.31 . 1 . . . . 8 GLU CA . 6688 1 63 . 1 1 8 8 GLU CB C 13 29.84 0.31 . 1 . . . . 8 GLU CB . 6688 1 64 . 1 1 8 8 GLU CG C 13 33.5 0.31 . 5 . . . . 8 GLU CG . 6688 1 65 . 1 1 8 8 GLU N N 15 117.7 0.14 . 1 . . . . 8 GLU N . 6688 1 66 . 1 1 9 9 GLU H H 1 8.22 0.015 . 1 . . . . 9 GLU H . 6688 1 67 . 1 1 9 9 GLU HA H 1 4.14 0.015 . 1 . . . . 9 GLU HA . 6688 1 68 . 1 1 9 9 GLU HB2 H 1 2.21 0.02 . 5 . . . . 9 GLU HB2 . 6688 1 69 . 1 1 9 9 GLU HB3 H 1 2.02 0.02 . 5 . . . . 9 GLU HB3 . 6688 1 70 . 1 1 9 9 GLU HG2 H 1 2.55 0.02 . 5 . . . . 9 GLU HG2 . 6688 1 71 . 1 1 9 9 GLU HG3 H 1 2.39 0.02 . 5 . . . . 9 GLU HG3 . 6688 1 72 . 1 1 9 9 GLU C C 13 178.8 0.08 . 1 . . . . 9 GLU C . 6688 1 73 . 1 1 9 9 GLU CA C 13 58.76 0.31 . 1 . . . . 9 GLU CA . 6688 1 74 . 1 1 9 9 GLU CB C 13 29.38 0.31 . 1 . . . . 9 GLU CB . 6688 1 75 . 1 1 9 9 GLU CG C 13 33.5 0.31 . 5 . . . . 9 GLU CG . 6688 1 76 . 1 1 9 9 GLU N N 15 121.4 0.14 . 1 . . . . 9 GLU N . 6688 1 77 . 1 1 10 10 LEU H H 1 7.7 0.015 . 1 . . . . 10 LEU H . 6688 1 78 . 1 1 10 10 LEU HA H 1 4.15 0.015 . 1 . . . . 10 LEU HA . 6688 1 79 . 1 1 10 10 LEU HB2 H 1 1.72 0.02 . 1 . . . . 10 LEU HB2 . 6688 1 80 . 1 1 10 10 LEU HB3 H 1 1.56 0.02 . 1 . . . . 10 LEU HB3 . 6688 1 81 . 1 1 10 10 LEU C C 13 174.5 0.08 . 1 . . . . 10 LEU C . 6688 1 82 . 1 1 10 10 LEU CA C 13 54.39 0.31 . 1 . . . . 10 LEU CA . 6688 1 83 . 1 1 10 10 LEU CB C 13 42.45 0.31 . 1 . . . . 10 LEU CB . 6688 1 84 . 1 1 10 10 LEU CD1 C 13 22.2 0.31 . 1 . . . . 10 LEU CD1 . 6688 1 85 . 1 1 10 10 LEU CD2 C 13 25.33 0.31 . 1 . . . . 10 LEU CD2 . 6688 1 86 . 1 1 10 10 LEU N N 15 116.8 0.14 . 1 . . . . 10 LEU N . 6688 1 87 . 1 1 11 11 LYS H H 1 7.7 0.015 . 1 . . . . 11 LYS H . 6688 1 88 . 1 1 11 11 LYS HA H 1 3.95 0.015 . 1 . . . . 11 LYS HA . 6688 1 89 . 1 1 11 11 LYS HB2 H 1 2.17 0.02 . 1 . . . . 11 LYS HB2 . 6688 1 90 . 1 1 11 11 LYS HB3 H 1 1.97 0.02 . 1 . . . . 11 LYS HB3 . 6688 1 91 . 1 1 11 11 LYS HG2 H 1 1.37 0.02 . 4 . . . . 11 LYS HG2 . 6688 1 92 . 1 1 11 11 LYS HD2 H 1 1.73 0.02 . 4 . . . . 11 LYS HD2 . 6688 1 93 . 1 1 11 11 LYS HE2 H 1 3.04 0.02 . 4 . . . . 11 LYS HE2 . 6688 1 94 . 1 1 11 11 LYS C C 13 176.9 0.08 . 1 . . . . 11 LYS C . 6688 1 95 . 1 1 11 11 LYS CA C 13 56.86 0.31 . 1 . . . . 11 LYS CA . 6688 1 96 . 1 1 11 11 LYS CB C 13 28.13 0.31 . 1 . . . . 11 LYS CB . 6688 1 97 . 1 1 11 11 LYS CG C 13 25.33 0.31 . 1 . . . . 11 LYS CG . 6688 1 98 . 1 1 11 11 LYS CD C 13 28.14 0.31 . 1 . . . . 11 LYS CD . 6688 1 99 . 1 1 11 11 LYS CE C 13 42.21 0.31 . 1 . . . . 11 LYS CE . 6688 1 100 . 1 1 11 11 LYS N N 15 112.9 0.14 . 1 . . . . 11 LYS N . 6688 1 101 . 1 1 12 12 GLY H H 1 8.49 0.015 . 1 . . . . 12 GLY H . 6688 1 102 . 1 1 12 12 GLY HA2 H 1 4.54 0.015 . 1 . . . . 12 GLY HA2 . 6688 1 103 . 1 1 12 12 GLY HA3 H 1 3.28 0.015 . 1 . . . . 12 GLY HA3 . 6688 1 104 . 1 1 12 12 GLY C C 13 175.2 0.08 . 1 . . . . 12 GLY C . 6688 1 105 . 1 1 12 12 GLY CA C 13 45 0.31 . 1 . . . . 12 GLY CA . 6688 1 106 . 1 1 12 12 GLY N N 15 105.5 0.14 . 1 . . . . 12 GLY N . 6688 1 107 . 1 1 13 13 THR H H 1 8.76 0.015 . 1 . . . . 13 THR H . 6688 1 108 . 1 1 13 13 THR HA H 1 4.39 0.015 . 1 . . . . 13 THR HA . 6688 1 109 . 1 1 13 13 THR HB H 1 3.99 0.02 . 1 . . . . 13 THR HB . 6688 1 110 . 1 1 13 13 THR HG21 H 1 1.14 0.015 . 1 . . . . 13 THR HG2 . 6688 1 111 . 1 1 13 13 THR HG22 H 1 1.14 0.015 . 1 . . . . 13 THR HG2 . 6688 1 112 . 1 1 13 13 THR HG23 H 1 1.14 0.015 . 1 . . . . 13 THR HG2 . 6688 1 113 . 1 1 13 13 THR C C 13 172.9 0.08 . 1 . . . . 13 THR C . 6688 1 114 . 1 1 13 13 THR CA C 13 61.4 0.31 . 1 . . . . 13 THR CA . 6688 1 115 . 1 1 13 13 THR CB C 13 71 0.31 . 1 . . . . 13 THR CB . 6688 1 116 . 1 1 13 13 THR CG2 C 13 21.58 0.31 . 1 . . . . 13 THR CG2 . 6688 1 117 . 1 1 13 13 THR N N 15 115 0.14 . 1 . . . . 13 THR N . 6688 1 118 . 1 1 14 14 ASP H H 1 8.85 0.015 . 1 . . . . 14 ASP H . 6688 1 119 . 1 1 14 14 ASP HA H 1 5.35 0.015 . 1 . . . . 14 ASP HA . 6688 1 120 . 1 1 14 14 ASP HB2 H 1 2.83 0.02 . 1 . . . . 14 ASP HB2 . 6688 1 121 . 1 1 14 14 ASP HB3 H 1 2.4 0.02 . 1 . . . . 14 ASP HB3 . 6688 1 122 . 1 1 14 14 ASP C C 13 177.3 0.08 . 1 . . . . 14 ASP C . 6688 1 123 . 1 1 14 14 ASP CA C 13 52.82 0.31 . 1 . . . . 14 ASP CA . 6688 1 124 . 1 1 14 14 ASP CB C 13 41.55 0.31 . 1 . . . . 14 ASP CB . 6688 1 125 . 1 1 14 14 ASP N N 15 128 0.14 . 1 . . . . 14 ASP N . 6688 1 126 . 1 1 15 15 THR H H 1 9.1 0.015 . 1 . . . . 15 THR H . 6688 1 127 . 1 1 15 15 THR HA H 1 4.45 0.015 . 1 . . . . 15 THR HA . 6688 1 128 . 1 1 15 15 THR HB H 1 4.64 0.02 . 1 . . . . 15 THR HB . 6688 1 129 . 1 1 15 15 THR HG21 H 1 1.23 0.02 . 1 . . . . 15 THR HG2 . 6688 1 130 . 1 1 15 15 THR HG22 H 1 1.23 0.02 . 1 . . . . 15 THR HG2 . 6688 1 131 . 1 1 15 15 THR HG23 H 1 1.23 0.02 . 1 . . . . 15 THR HG2 . 6688 1 132 . 1 1 15 15 THR C C 13 175.7 0.08 . 1 . . . . 15 THR C . 6688 1 133 . 1 1 15 15 THR CA C 13 61.22 0.31 . 1 . . . . 15 THR CA . 6688 1 134 . 1 1 15 15 THR CB C 13 70.05 0.31 . 1 . . . . 15 THR CB . 6688 1 135 . 1 1 15 15 THR CG2 C 13 20.95 0.31 . 1 . . . . 15 THR CG2 . 6688 1 136 . 1 1 15 15 THR N N 15 114.4 0.14 . 1 . . . . 15 THR N . 6688 1 137 . 1 1 16 16 GLY H H 1 9.03 0.015 . 1 . . . . 16 GLY H . 6688 1 138 . 1 1 16 16 GLY HA2 H 1 4.535 0.015 . 1 . . . . 16 GLY HA2 . 6688 1 139 . 1 1 16 16 GLY HA3 H 1 3.55 0.015 . 1 . . . . 16 GLY HA3 . 6688 1 140 . 1 1 16 16 GLY C C 13 175.7 0.08 . 1 . . . . 16 GLY C . 6688 1 141 . 1 1 16 16 GLY CA C 13 45.61 0.31 . 1 . . . . 16 GLY CA . 6688 1 142 . 1 1 16 16 GLY N N 15 114.4 0.14 . 1 . . . . 16 GLY N . 6688 1 143 . 1 1 17 17 GLN HE21 H 1 6.83 0.02 . 1 . . . . 17 GLN HE21 . 6688 1 144 . 1 1 17 17 GLN HE22 H 1 7.49 0.02 . 1 . . . . 17 GLN HE22 . 6688 1 145 . 1 1 17 17 GLN C C 13 175.1 0.08 . 1 . . . . 17 GLN C . 6688 1 146 . 1 1 17 17 GLN CA C 13 55.6 0.31 . 1 . . . . 17 GLN CA . 6688 1 147 . 1 1 17 17 GLN CB C 13 27.05 0.31 . 1 . . . . 17 GLN CB . 6688 1 148 . 1 1 17 17 GLN NE2 N 15 112.5 0.14 . 1 . . . . 17 GLN NE2 . 6688 1 149 . 1 1 18 18 ALA H H 1 7.81 0.015 . 1 . . . . 18 ALA H . 6688 1 150 . 1 1 18 18 ALA HA H 1 4.7 0.015 . 1 . . . . 18 ALA HA . 6688 1 151 . 1 1 18 18 ALA HB1 H 1 1.27 0.015 . 1 . . . . 18 ALA HB . 6688 1 152 . 1 1 18 18 ALA HB2 H 1 1.27 0.015 . 1 . . . . 18 ALA HB . 6688 1 153 . 1 1 18 18 ALA HB3 H 1 1.27 0.015 . 1 . . . . 18 ALA HB . 6688 1 154 . 1 1 18 18 ALA C C 13 174.7 0.08 . 1 . . . . 18 ALA C . 6688 1 155 . 1 1 18 18 ALA CA C 13 51.2 0.31 . 1 . . . . 18 ALA CA . 6688 1 156 . 1 1 18 18 ALA CB C 13 22.11 0.31 . 1 . . . . 18 ALA CB . 6688 1 157 . 1 1 18 18 ALA N N 15 122.2 0.14 . 1 . . . . 18 ALA N . 6688 1 158 . 1 1 19 19 CYS H H 1 8.63 0.015 . 1 . . . . 19 CYS H . 6688 1 159 . 1 1 19 19 CYS HA H 1 5.21 0.015 . 1 . . . . 19 CYS HA . 6688 1 160 . 1 1 19 19 CYS HB2 H 1 2.81 0.02 . 4 . . . . 19 CYS HB2 . 6688 1 161 . 1 1 19 19 CYS C C 13 173.6 0.08 . 1 . . . . 19 CYS C . 6688 1 162 . 1 1 19 19 CYS CA C 13 55.03 0.31 . 1 . . . . 19 CYS CA . 6688 1 163 . 1 1 19 19 CYS CB C 13 41.57 0.31 . 1 . . . . 19 CYS CB . 6688 1 164 . 1 1 19 19 CYS N N 15 118.7 0.14 . 1 . . . . 19 CYS N . 6688 1 165 . 1 1 20 20 GLN H H 1 9.09 0.015 . 1 . . . . 20 GLN H . 6688 1 166 . 1 1 20 20 GLN HA H 1 5.34 0.015 . 1 . . . . 20 GLN HA . 6688 1 167 . 1 1 20 20 GLN HB2 H 1 2.03 0.02 . 4 . . . . 20 GLN HB2 . 6688 1 168 . 1 1 20 20 GLN HG2 H 1 2.32 0.02 . 1 . . . . 20 GLN HG2 . 6688 1 169 . 1 1 20 20 GLN HG3 H 1 2.48 0.02 . 1 . . . . 20 GLN HG3 . 6688 1 170 . 1 1 20 20 GLN HE21 H 1 6.79 0.02 . 1 . . . . 20 GLN HE21 . 6688 1 171 . 1 1 20 20 GLN HE22 H 1 7.33 0.02 . 1 . . . . 20 GLN HE22 . 6688 1 172 . 1 1 20 20 GLN C C 13 175.6 0.08 . 1 . . . . 20 GLN C . 6688 1 173 . 1 1 20 20 GLN CA C 13 54.2 0.31 . 1 . . . . 20 GLN CA . 6688 1 174 . 1 1 20 20 GLN CB C 13 31.24 0.31 . 1 . . . . 20 GLN CB . 6688 1 175 . 1 1 20 20 GLN CG C 13 33.14 0.31 . 1 . . . . 20 GLN CG . 6688 1 176 . 1 1 20 20 GLN N N 15 127.3 0.14 . 1 . . . . 20 GLN N . 6688 1 177 . 1 1 20 20 GLN NE2 N 15 110.6 0.14 . 1 . . . . 20 GLN NE2 . 6688 1 178 . 1 1 21 21 ILE H H 1 9.33 0.015 . 1 . . . . 21 ILE H . 6688 1 179 . 1 1 21 21 ILE HA H 1 4.4 0.015 . 1 . . . . 21 ILE HA . 6688 1 180 . 1 1 21 21 ILE HB H 1 1.67 0.02 . 1 . . . . 21 ILE HB . 6688 1 181 . 1 1 21 21 ILE HG12 H 1 1.43 0.02 . 1 . . . . 21 ILE HG12 . 6688 1 182 . 1 1 21 21 ILE HG13 H 1 1.29 0.02 . 1 . . . . 21 ILE HG13 . 6688 1 183 . 1 1 21 21 ILE HG21 H 1 0.85 0.02 . 1 . . . . 21 ILE HG2 . 6688 1 184 . 1 1 21 21 ILE HG22 H 1 0.85 0.02 . 1 . . . . 21 ILE HG2 . 6688 1 185 . 1 1 21 21 ILE HG23 H 1 0.85 0.02 . 1 . . . . 21 ILE HG2 . 6688 1 186 . 1 1 21 21 ILE HD11 H 1 0.81 0.02 . 1 . . . . 21 ILE HD1 . 6688 1 187 . 1 1 21 21 ILE HD12 H 1 0.81 0.02 . 1 . . . . 21 ILE HD1 . 6688 1 188 . 1 1 21 21 ILE HD13 H 1 0.81 0.02 . 1 . . . . 21 ILE HD1 . 6688 1 189 . 1 1 21 21 ILE C C 13 174.3 0.08 . 1 . . . . 21 ILE C . 6688 1 190 . 1 1 21 21 ILE CA C 13 60.94 0.31 . 1 . . . . 21 ILE CA . 6688 1 191 . 1 1 21 21 ILE CB C 13 41.25 0.31 . 1 . . . . 21 ILE CB . 6688 1 192 . 1 1 21 21 ILE CG1 C 13 26.58 0.31 . 1 . . . . 21 ILE CG1 . 6688 1 193 . 1 1 21 21 ILE CG2 C 13 17.83 0.31 . 1 . . . . 21 ILE CG2 . 6688 1 194 . 1 1 21 21 ILE CD1 C 13 11.58 0.31 . 1 . . . . 21 ILE CD1 . 6688 1 195 . 1 1 21 21 ILE N N 15 127.1 0.14 . 1 . . . . 21 ILE N . 6688 1 196 . 1 1 22 22 GLN H H 1 8.72 0.015 . 1 . . . . 22 GLN H . 6688 1 197 . 1 1 22 22 GLN HA H 1 5.37 0.015 . 1 . . . . 22 GLN HA . 6688 1 198 . 1 1 22 22 GLN HB2 H 1 2.11 0.02 . 1 . . . . 22 GLN HB2 . 6688 1 199 . 1 1 22 22 GLN HB3 H 1 1.99 0.02 . 1 . . . . 22 GLN HB3 . 6688 1 200 . 1 1 22 22 GLN HG2 H 1 2.35 0.02 . 4 . . . . 22 GLN HG2 . 6688 1 201 . 1 1 22 22 GLN C C 13 175.1 0.08 . 1 . . . . 22 GLN C . 6688 1 202 . 1 1 22 22 GLN CA C 13 54.28 0.31 . 1 . . . . 22 GLN CA . 6688 1 203 . 1 1 22 22 GLN CB C 13 31.91 0.31 . 1 . . . . 22 GLN CB . 6688 1 204 . 1 1 22 22 GLN CG C 13 33.77 0.31 . 1 . . . . 22 GLN CG . 6688 1 205 . 1 1 22 22 GLN N N 15 127.1 0.14 . 1 . . . . 22 GLN N . 6688 1 206 . 1 1 23 23 MET H H 1 8.86 0.015 . 1 . . . . 23 MET H . 6688 1 207 . 1 1 23 23 MET HA H 1 4.81 0.015 . 1 . . . . 23 MET HA . 6688 1 208 . 1 1 23 23 MET HB2 H 1 2.5 0.02 . 1 . . . . 23 MET HB2 . 6688 1 209 . 1 1 23 23 MET HB3 H 1 2.02 0.02 . 1 . . . . 23 MET HB3 . 6688 1 210 . 1 1 23 23 MET HG2 H 1 2.77 0.02 . 1 . . . . 23 MET HG2 . 6688 1 211 . 1 1 23 23 MET HG3 H 1 2.39 0.02 . 1 . . . . 23 MET HG3 . 6688 1 212 . 1 1 23 23 MET C C 13 174.3 0.08 . 1 . . . . 23 MET C . 6688 1 213 . 1 1 23 23 MET CA C 13 55.39 0.31 . 1 . . . . 23 MET CA . 6688 1 214 . 1 1 23 23 MET CB C 13 37.79 0.31 . 1 . . . . 23 MET CB . 6688 1 215 . 1 1 23 23 MET CG C 13 31.89 0.31 . 1 . . . . 23 MET CG . 6688 1 216 . 1 1 23 23 MET N N 15 122.1 0.14 . 1 . . . . 23 MET N . 6688 1 217 . 1 1 24 24 SER H H 1 8.82 0.015 . 1 . . . . 24 SER H . 6688 1 218 . 1 1 24 24 SER HA H 1 5.148 0.015 . 1 . . . . 24 SER HA . 6688 1 219 . 1 1 24 24 SER HB2 H 1 3.85 0.02 . 1 . . . . 24 SER HB2 . 6688 1 220 . 1 1 24 24 SER HB3 H 1 3.77 0.02 . 1 . . . . 24 SER HB3 . 6688 1 221 . 1 1 24 24 SER C C 13 171.4 0.08 . 1 . . . . 24 SER C . 6688 1 222 . 1 1 24 24 SER CA C 13 57.5 0.31 . 1 . . . . 24 SER CA . 6688 1 223 . 1 1 24 24 SER CB C 13 65.62 0.31 . 1 . . . . 24 SER CB . 6688 1 224 . 1 1 24 24 SER N N 15 118.1 0.14 . 1 . . . . 24 SER N . 6688 1 225 . 1 1 25 25 ASP H H 1 8.58 0.015 . 1 . . . . 25 ASP H . 6688 1 226 . 1 1 25 25 ASP HA H 1 4.79 0.015 . 1 . . . . 25 ASP HA . 6688 1 227 . 1 1 25 25 ASP HB2 H 1 1.99 0.02 . 1 . . . . 25 ASP HB2 . 6688 1 228 . 1 1 25 25 ASP HB3 H 1 1.1 0.02 . 1 . . . . 25 ASP HB3 . 6688 1 229 . 1 1 25 25 ASP C C 13 173.5 0.08 . 1 . . . . 25 ASP C . 6688 1 230 . 1 1 25 25 ASP CA C 13 51.9 0.31 . 1 . . . . 25 ASP CA . 6688 1 231 . 1 1 25 25 ASP CB C 13 45.65 0.31 . 1 . . . . 25 ASP CB . 6688 1 232 . 1 1 25 25 ASP N N 15 127.6 0.14 . 1 . . . . 25 ASP N . 6688 1 233 . 1 1 26 26 PRO HA H 1 4.18 0.015 . 5 . . . . 26 PRO HA . 6688 1 234 . 1 1 26 26 PRO HB2 H 1 2.31 0.02 . 5 . . . . 26 PRO HB2 . 6688 1 235 . 1 1 26 26 PRO HB3 H 1 1.78 0.02 . 5 . . . . 26 PRO HB3 . 6688 1 236 . 1 1 26 26 PRO HG2 H 1 1.93 0.02 . 5 . . . . 26 PRO HG2 . 6688 1 237 . 1 1 26 26 PRO HD2 H 1 3.51 0.02 . 5 . . . . 26 PRO HD2 . 6688 1 238 . 1 1 26 26 PRO C C 13 176.7 0.08 . 1 . . . . 26 PRO C . 6688 1 239 . 1 1 26 26 PRO CA C 13 65.65 0.31 . 1 . . . . 26 PRO CA . 6688 1 240 . 1 1 26 26 PRO CB C 13 31.56 0.31 . 1 . . . . 26 PRO CB . 6688 1 241 . 1 1 26 26 PRO CG C 13 27.52 0.31 . 5 . . . . 26 PRO CG . 6688 1 242 . 1 1 26 26 PRO CD C 13 50.12 0.31 . 5 . . . . 26 PRO CD . 6688 1 243 . 1 1 27 27 ALA H H 1 9.4 0.015 . 1 . . . . 27 ALA H . 6688 1 244 . 1 1 27 27 ALA HA H 1 4.4 0.015 . 1 . . . . 27 ALA HA . 6688 1 245 . 1 1 27 27 ALA HB1 H 1 1.49 0.02 . 1 . . . . 27 ALA HB . 6688 1 246 . 1 1 27 27 ALA HB2 H 1 1.49 0.02 . 1 . . . . 27 ALA HB . 6688 1 247 . 1 1 27 27 ALA HB3 H 1 1.49 0.02 . 1 . . . . 27 ALA HB . 6688 1 248 . 1 1 27 27 ALA C C 13 178.7 0.08 . 1 . . . . 27 ALA C . 6688 1 249 . 1 1 27 27 ALA CA C 13 52.49 0.31 . 1 . . . . 27 ALA CA . 6688 1 250 . 1 1 27 27 ALA CB C 13 20.61 0.31 . 1 . . . . 27 ALA CB . 6688 1 251 . 1 1 27 27 ALA N N 15 116.1 0.14 . 1 . . . . 27 ALA N . 6688 1 252 . 1 1 28 28 TYR H H 1 7.56 0.015 . 1 . . . . 28 TYR H . 6688 1 253 . 1 1 28 28 TYR HA H 1 5.82 0.015 . 1 . . . . 28 TYR HA . 6688 1 254 . 1 1 28 28 TYR HB2 H 1 3.18 0.02 . 1 . . . . 28 TYR HB2 . 6688 1 255 . 1 1 28 28 TYR HB3 H 1 2.92 0.02 . 1 . . . . 28 TYR HB3 . 6688 1 256 . 1 1 28 28 TYR HD1 H 1 6.62 0.02 . 3 . . . . 28 TYR HD1 . 6688 1 257 . 1 1 28 28 TYR HE1 H 1 6.5 0.02 . 3 . . . . 28 TYR HE1 . 6688 1 258 . 1 1 28 28 TYR C C 13 171.2 0.08 . 1 . . . . 28 TYR C . 6688 1 259 . 1 1 28 28 TYR CA C 13 56.87 0.31 . 1 . . . . 28 TYR CA . 6688 1 260 . 1 1 28 28 TYR CB C 13 39.99 0.31 . 1 . . . . 28 TYR CB . 6688 1 261 . 1 1 28 28 TYR CD1 C 13 134.37 0.31 . 3 . . . . 28 TYR CD1 . 6688 1 262 . 1 1 28 28 TYR CE1 C 13 118.43 0.31 . 3 . . . . 28 TYR CE1 . 6688 1 263 . 1 1 28 28 TYR N N 15 113.7 0.14 . 1 . . . . 28 TYR N . 6688 1 264 . 1 1 29 29 ASN H H 1 9.01 0.015 . 1 . . . . 29 ASN H . 6688 1 265 . 1 1 29 29 ASN HA H 1 5.44 0.015 . 1 . . . . 29 ASN HA . 6688 1 266 . 1 1 29 29 ASN HB2 H 1 2.81 0.02 . 4 . . . . 29 ASN HB2 . 6688 1 267 . 1 1 29 29 ASN HB3 H 1 2.05 0.015 . 1 . . . . 29 ASN HB3 . 6688 1 268 . 1 1 29 29 ASN HD21 H 1 6.96 0.015 . 1 . . . . 29 ASN HD21 . 6688 1 269 . 1 1 29 29 ASN HD22 H 1 7.96 0.02 . 1 . . . . 29 ASN HD22 . 6688 1 270 . 1 1 29 29 ASN C C 13 173.9 0.08 . 1 . . . . 29 ASN C . 6688 1 271 . 1 1 29 29 ASN CA C 13 53.39 0.31 . 1 . . . . 29 ASN CA . 6688 1 272 . 1 1 29 29 ASN CB C 13 43.13 0.31 . 1 . . . . 29 ASN CB . 6688 1 273 . 1 1 29 29 ASN N N 15 115.4 0.14 . 1 . . . . 29 ASN N . 6688 1 274 . 1 1 29 29 ASN ND2 N 15 114.7 0.14 . 1 . . . . 29 ASN ND2 . 6688 1 275 . 1 1 30 30 ILE H H 1 9.1 0.015 . 1 . . . . 30 ILE H . 6688 1 276 . 1 1 30 30 ILE HA H 1 5 0.015 . 1 . . . . 30 ILE HA . 6688 1 277 . 1 1 30 30 ILE HB H 1 1.89 0.02 . 1 . . . . 30 ILE HB . 6688 1 278 . 1 1 30 30 ILE HG12 H 1 1.48 0.02 . 1 . . . . 30 ILE HG12 . 6688 1 279 . 1 1 30 30 ILE HG13 H 1 1.35 0.02 . 1 . . . . 30 ILE HG13 . 6688 1 280 . 1 1 30 30 ILE HG21 H 1 0.81 0.02 . 1 . . . . 30 ILE HG2 . 6688 1 281 . 1 1 30 30 ILE HG22 H 1 0.81 0.02 . 1 . . . . 30 ILE HG2 . 6688 1 282 . 1 1 30 30 ILE HG23 H 1 0.81 0.02 . 1 . . . . 30 ILE HG2 . 6688 1 283 . 1 1 30 30 ILE HD11 H 1 0.95 0.02 . 1 . . . . 30 ILE HD1 . 6688 1 284 . 1 1 30 30 ILE HD12 H 1 0.95 0.02 . 1 . . . . 30 ILE HD1 . 6688 1 285 . 1 1 30 30 ILE HD13 H 1 0.95 0.02 . 1 . . . . 30 ILE HD1 . 6688 1 286 . 1 1 30 30 ILE C C 13 175.1 0.08 . 1 . . . . 30 ILE C . 6688 1 287 . 1 1 30 30 ILE CA C 13 60.42 0.31 . 1 . . . . 30 ILE CA . 6688 1 288 . 1 1 30 30 ILE CB C 13 41.3 0.31 . 1 . . . . 30 ILE CB . 6688 1 289 . 1 1 30 30 ILE CG1 C 13 25.33 0.31 . 1 . . . . 30 ILE CG1 . 6688 1 290 . 1 1 30 30 ILE CG2 C 13 16.89 0.31 . 1 . . . . 30 ILE CG2 . 6688 1 291 . 1 1 30 30 ILE CD1 C 13 13.77 0.31 . 1 . . . . 30 ILE CD1 . 6688 1 292 . 1 1 30 30 ILE N N 15 121.9 0.14 . 1 . . . . 30 ILE N . 6688 1 293 . 1 1 31 31 ASN H H 1 8.86 0.015 . 1 . . . . 31 ASN H . 6688 1 294 . 1 1 31 31 ASN HA H 1 5.33 0.015 . 1 . . . . 31 ASN HA . 6688 1 295 . 1 1 31 31 ASN HB2 H 1 2.95 0.02 . 1 . . . . 31 ASN HB2 . 6688 1 296 . 1 1 31 31 ASN HB3 H 1 2.78 0.02 . 1 . . . . 31 ASN HB3 . 6688 1 297 . 1 1 31 31 ASN HD21 H 1 7.78 0.02 . 9 . . . . 31 ASN HD21 . 6688 1 298 . 1 1 31 31 ASN HD22 H 1 6.81 0.02 . 9 . . . . 31 ASN HD22 . 6688 1 299 . 1 1 31 31 ASN C C 13 173.3 0.08 . 1 . . . . 31 ASN C . 6688 1 300 . 1 1 31 31 ASN CA C 13 53.44 0.31 . 1 . . . . 31 ASN CA . 6688 1 301 . 1 1 31 31 ASN CB C 13 41.25 0.31 . 1 . . . . 31 ASN CB . 6688 1 302 . 1 1 31 31 ASN N N 15 126.7 0.14 . 1 . . . . 31 ASN N . 6688 1 303 . 1 1 31 31 ASN ND2 N 15 112.6 0.14 . 9 . . . . 31 ASN ND2 . 6688 1 304 . 1 1 32 32 ILE H H 1 9.27 0.015 . 1 . . . . 32 ILE H . 6688 1 305 . 1 1 32 32 ILE HA H 1 4.8 0.015 . 1 . . . . 32 ILE HA . 6688 1 306 . 1 1 32 32 ILE HB H 1 1.97 0.02 . 1 . . . . 32 ILE HB . 6688 1 307 . 1 1 32 32 ILE HG12 H 1 1.58 0.02 . 4 . . . . 32 ILE HG12 . 6688 1 308 . 1 1 32 32 ILE HG21 H 1 0.78 0.02 . 1 . . . . 32 ILE HG2 . 6688 1 309 . 1 1 32 32 ILE HG22 H 1 0.78 0.02 . 1 . . . . 32 ILE HG2 . 6688 1 310 . 1 1 32 32 ILE HG23 H 1 0.78 0.02 . 1 . . . . 32 ILE HG2 . 6688 1 311 . 1 1 32 32 ILE HD11 H 1 0.65 0.02 . 1 . . . . 32 ILE HD1 . 6688 1 312 . 1 1 32 32 ILE HD12 H 1 0.65 0.02 . 1 . . . . 32 ILE HD1 . 6688 1 313 . 1 1 32 32 ILE HD13 H 1 0.65 0.02 . 1 . . . . 32 ILE HD1 . 6688 1 314 . 1 1 32 32 ILE C C 13 173.9 0.08 . 1 . . . . 32 ILE C . 6688 1 315 . 1 1 32 32 ILE CA C 13 60 0.31 . 1 . . . . 32 ILE CA . 6688 1 316 . 1 1 32 32 ILE CB C 13 41.24 0.31 . 1 . . . . 32 ILE CB . 6688 1 317 . 1 1 32 32 ILE CG1 C 13 26.26 0.31 . 1 . . . . 32 ILE CG1 . 6688 1 318 . 1 1 32 32 ILE CG2 C 13 15.64 0.31 . 1 . . . . 32 ILE CG2 . 6688 1 319 . 1 1 32 32 ILE CD1 C 13 12.51 0.31 . 1 . . . . 32 ILE CD1 . 6688 1 320 . 1 1 32 32 ILE N N 15 125 0.14 . 1 . . . . 32 ILE N . 6688 1 321 . 1 1 33 33 SER H H 1 8.36 0.015 . 1 . . . . 33 SER H . 6688 1 322 . 1 1 33 33 SER HA H 1 5.14 0.015 . 1 . . . . 33 SER HA . 6688 1 323 . 1 1 33 33 SER HB2 H 1 3.9 0.02 . 1 . . . . 33 SER HB2 . 6688 1 324 . 1 1 33 33 SER HB3 H 1 3.77 0.02 . 1 . . . . 33 SER HB3 . 6688 1 325 . 1 1 33 33 SER C C 13 173.4 0.08 . 1 . . . . 33 SER C . 6688 1 326 . 1 1 33 33 SER CA C 13 56.87 0.31 . 1 . . . . 33 SER CA . 6688 1 327 . 1 1 33 33 SER CB C 13 64.02 0.31 . 1 . . . . 33 SER CB . 6688 1 328 . 1 1 33 33 SER N N 15 122.9 0.14 . 1 . . . . 33 SER N . 6688 1 329 . 1 1 34 34 LEU H H 1 8.7 0.015 . 1 . . . . 34 LEU H . 6688 1 330 . 1 1 34 34 LEU HA H 1 4.87 0.015 . 1 . . . . 34 LEU HA . 6688 1 331 . 1 1 34 34 LEU HB2 H 1 1.58 0.02 . 1 . . . . 34 LEU HB2 . 6688 1 332 . 1 1 34 34 LEU HB3 H 1 1.45 0.02 . 1 . . . . 34 LEU HB3 . 6688 1 333 . 1 1 34 34 LEU HG H 1 0.66 0.02 . 1 . . . . 34 LEU HG . 6688 1 334 . 1 1 34 34 LEU HD11 H 1 0.66 0.02 . 4 . . . . 34 LEU HD1 . 6688 1 335 . 1 1 34 34 LEU HD12 H 1 0.66 0.02 . 4 . . . . 34 LEU HD1 . 6688 1 336 . 1 1 34 34 LEU HD13 H 1 0.66 0.02 . 4 . . . . 34 LEU HD1 . 6688 1 337 . 1 1 34 34 LEU C C 13 174.2 0.08 . 1 . . . . 34 LEU C . 6688 1 338 . 1 1 34 34 LEU CA C 13 51.56 0.31 . 1 . . . . 34 LEU CA . 6688 1 339 . 1 1 34 34 LEU CB C 13 43.76 0.31 . 1 . . . . 34 LEU CB . 6688 1 340 . 1 1 34 34 LEU CG C 13 26.37 0.31 . 1 . . . . 34 LEU CG . 6688 1 341 . 1 1 34 34 LEU CD1 C 13 22.83 0.31 . 4 . . . . 34 LEU CD1 . 6688 1 342 . 1 1 34 34 LEU N N 15 125.3 0.14 . 1 . . . . 34 LEU N . 6688 1 343 . 1 1 35 35 PRO C C 13 177.4 0.08 . 1 . . . . 35 PRO C . 6688 1 344 . 1 1 35 35 PRO CA C 13 62.84 0.31 . 1 . . . . 35 PRO CA . 6688 1 345 . 1 1 35 35 PRO CB C 13 32.1 0.31 . 1 . . . . 35 PRO CB . 6688 1 346 . 1 1 36 36 SER HA H 1 4.29 0.015 . 1 . . . . 36 SER HA . 6688 1 347 . 1 1 36 36 SER C C 13 173.1 0.08 . 1 . . . . 36 SER C . 6688 1 348 . 1 1 36 36 SER CA C 13 61.56 0.31 . 1 . . . . 36 SER CA . 6688 1 349 . 1 1 36 36 SER CB C 13 62.51 0.31 . 1 . . . . 36 SER CB . 6688 1 350 . 1 1 37 37 TYR H H 1 7.37 0.015 . 1 . . . . 37 TYR H . 6688 1 351 . 1 1 37 37 TYR HA H 1 3.83 0.015 . 1 . . . . 37 TYR HA . 6688 1 352 . 1 1 37 37 TYR C C 13 173.6 0.08 . 1 . . . . 37 TYR C . 6688 1 353 . 1 1 37 37 TYR CA C 13 58.05 0.31 . 1 . . . . 37 TYR CA . 6688 1 354 . 1 1 37 37 TYR CB C 13 40.31 0.31 . 1 . . . . 37 TYR CB . 6688 1 355 . 1 1 37 37 TYR N N 15 115.1 0.14 . 1 . . . . 37 TYR N . 6688 1 356 . 1 1 38 38 TYR H H 1 6.67 0.015 . 1 . . . . 38 TYR H . 6688 1 357 . 1 1 38 38 TYR HA H 1 4.33 0.015 . 1 . . . . 38 TYR HA . 6688 1 358 . 1 1 38 38 TYR HB2 H 1 2.9 0.02 . 1 . . . . 38 TYR HB2 . 6688 1 359 . 1 1 38 38 TYR HB3 H 1 2.67 0.02 . 1 . . . . 38 TYR HB3 . 6688 1 360 . 1 1 38 38 TYR HD1 H 1 6.99 0.02 . 3 . . . . 38 TYR HD1 . 6688 1 361 . 1 1 38 38 TYR HE1 H 1 6.68 0.02 . 3 . . . . 38 TYR HE1 . 6688 1 362 . 1 1 38 38 TYR C C 13 174.6 0.08 . 1 . . . . 38 TYR C . 6688 1 363 . 1 1 38 38 TYR CA C 13 55.3 0.31 . 1 . . . . 38 TYR CA . 6688 1 364 . 1 1 38 38 TYR CB C 13 40.31 0.31 . 1 . . . . 38 TYR CB . 6688 1 365 . 1 1 38 38 TYR CD1 C 13 133.7 0.31 . 3 . . . . 38 TYR CD1 . 6688 1 366 . 1 1 38 38 TYR CE1 C 13 118.7 0.31 . 3 . . . . 38 TYR CE1 . 6688 1 367 . 1 1 38 38 TYR N N 15 125.9 0.14 . 1 . . . . 38 TYR N . 6688 1 368 . 1 1 40 40 ASP C C 13 175 0.08 . 1 . . . . 40 ASP C . 6688 1 369 . 1 1 40 40 ASP CA C 13 50.48 0.31 . 1 . . . . 40 ASP CA . 6688 1 370 . 1 1 40 40 ASP CB C 13 38.82 0.31 . 1 . . . . 40 ASP CB . 6688 1 371 . 1 1 41 41 GLN H H 1 7.27 0.015 . 1 . . . . 41 GLN H . 6688 1 372 . 1 1 41 41 GLN HA H 1 3.62 0.015 . 1 . . . . 41 GLN HA . 6688 1 373 . 1 1 41 41 GLN HB2 H 1 2.24 0.02 . 1 . . . . 41 GLN HB2 . 6688 1 374 . 1 1 41 41 GLN HB3 H 1 2.07 0.02 . 1 . . . . 41 GLN HB3 . 6688 1 375 . 1 1 41 41 GLN HG2 H 1 2.47 0.02 . 1 . . . . 41 GLN HG2 . 6688 1 376 . 1 1 41 41 GLN HG3 H 1 2.33 0.02 . 1 . . . . 41 GLN HG3 . 6688 1 377 . 1 1 41 41 GLN HE21 H 1 6.84 0.02 . 1 . . . . 41 GLN HE21 . 6688 1 378 . 1 1 41 41 GLN HE22 H 1 7.44 0.02 . 1 . . . . 41 GLN HE22 . 6688 1 379 . 1 1 41 41 GLN C C 13 177.8 0.08 . 1 . . . . 41 GLN C . 6688 1 380 . 1 1 41 41 GLN CA C 13 59.69 0.31 . 1 . . . . 41 GLN CA . 6688 1 381 . 1 1 41 41 GLN CB C 13 29.07 0.31 . 1 . . . . 41 GLN CB . 6688 1 382 . 1 1 41 41 GLN CG C 13 33.45 0.31 . 1 . . . . 41 GLN CG . 6688 1 383 . 1 1 41 41 GLN N N 15 120.1 0.14 . 1 . . . . 41 GLN N . 6688 1 384 . 1 1 41 41 GLN NE2 N 15 112 0.14 . 1 . . . . 41 GLN NE2 . 6688 1 385 . 1 1 42 42 LYS H H 1 8.42 0.015 . 1 . . . . 42 LYS H . 6688 1 386 . 1 1 42 42 LYS HA H 1 4.07 0.015 . 1 . . . . 42 LYS HA . 6688 1 387 . 1 1 42 42 LYS HB2 H 1 1.94 0.02 . 1 . . . . 42 LYS HB2 . 6688 1 388 . 1 1 42 42 LYS HB3 H 1 1.83 0.02 . 1 . . . . 42 LYS HB3 . 6688 1 389 . 1 1 42 42 LYS HG2 H 1 1.56 0.02 . 1 . . . . 42 LYS HG2 . 6688 1 390 . 1 1 42 42 LYS HG3 H 1 1.49 0.02 . 1 . . . . 42 LYS HG3 . 6688 1 391 . 1 1 42 42 LYS HD2 H 1 1.72 0.02 . 4 . . . . 42 LYS HD2 . 6688 1 392 . 1 1 42 42 LYS HE2 H 1 2.97 0.02 . 4 . . . . 42 LYS HE2 . 6688 1 393 . 1 1 42 42 LYS C C 13 178.9 0.08 . 1 . . . . 42 LYS C . 6688 1 394 . 1 1 42 42 LYS CA C 13 58.13 0.31 . 1 . . . . 42 LYS CA . 6688 1 395 . 1 1 42 42 LYS CB C 13 31.23 0.31 . 1 . . . . 42 LYS CB . 6688 1 396 . 1 1 42 42 LYS CG C 13 25.33 0.31 . 1 . . . . 42 LYS CG . 6688 1 397 . 1 1 42 42 LYS CD C 13 28.14 0.31 . 1 . . . . 42 LYS CD . 6688 1 398 . 1 1 42 42 LYS CE C 13 41.89 0.31 . 1 . . . . 42 LYS CE . 6688 1 399 . 1 1 42 42 LYS N N 15 117.8 0.14 . 1 . . . . 42 LYS N . 6688 1 400 . 1 1 43 43 SER H H 1 7.4 0.015 . 1 . . . . 43 SER H . 6688 1 401 . 1 1 43 43 SER HA H 1 4.19 0.015 . 1 . . . . 43 SER HA . 6688 1 402 . 1 1 43 43 SER HB2 H 1 3.77 0.02 . 1 . . . . 43 SER HB2 . 6688 1 403 . 1 1 43 43 SER HB3 H 1 3.52 0.02 . 1 . . . . 43 SER HB3 . 6688 1 404 . 1 1 43 43 SER C C 13 176.8 0.08 . 1 . . . . 43 SER C . 6688 1 405 . 1 1 43 43 SER CA C 13 61.72 0.31 . 1 . . . . 43 SER CA . 6688 1 406 . 1 1 43 43 SER CB C 13 61.99 0.31 . 1 . . . . 43 SER CB . 6688 1 407 . 1 1 43 43 SER N N 15 114.3 0.14 . 1 . . . . 43 SER N . 6688 1 408 . 1 1 44 44 LEU H H 1 6.65 0.015 . 1 . . . . 44 LEU H . 6688 1 409 . 1 1 44 44 LEU HA H 1 3.48 0.015 . 1 . . . . 44 LEU HA . 6688 1 410 . 1 1 44 44 LEU HB2 H 1 1.13 0.02 . 1 . . . . 44 LEU HB2 . 6688 1 411 . 1 1 44 44 LEU HB3 H 1 0.68 0.02 . 1 . . . . 44 LEU HB3 . 6688 1 412 . 1 1 44 44 LEU HG H 1 0.89 0.02 . 1 . . . . 44 LEU HG . 6688 1 413 . 1 1 44 44 LEU HD11 H 1 0.27 0.02 . 2 . . . . 44 LEU HD1 . 6688 1 414 . 1 1 44 44 LEU HD12 H 1 0.27 0.02 . 2 . . . . 44 LEU HD1 . 6688 1 415 . 1 1 44 44 LEU HD13 H 1 0.27 0.02 . 2 . . . . 44 LEU HD1 . 6688 1 416 . 1 1 44 44 LEU HD21 H 1 0.03 0.02 . 2 . . . . 44 LEU HD2 . 6688 1 417 . 1 1 44 44 LEU HD22 H 1 0.03 0.02 . 2 . . . . 44 LEU HD2 . 6688 1 418 . 1 1 44 44 LEU HD23 H 1 0.03 0.02 . 2 . . . . 44 LEU HD2 . 6688 1 419 . 1 1 44 44 LEU C C 13 177.2 0.08 . 1 . . . . 44 LEU C . 6688 1 420 . 1 1 44 44 LEU CA C 13 57.29 0.31 . 1 . . . . 44 LEU CA . 6688 1 421 . 1 1 44 44 LEU CB C 13 41.65 0.31 . 1 . . . . 44 LEU CB . 6688 1 422 . 1 1 44 44 LEU CG C 13 26.58 0.31 . 1 . . . . 44 LEU CG . 6688 1 423 . 1 1 44 44 LEU CD1 C 13 24.08 0.31 . 1 . . . . 44 LEU CD1 . 6688 1 424 . 1 1 44 44 LEU CD2 C 13 24.7 0.31 . 1 . . . . 44 LEU CD2 . 6688 1 425 . 1 1 44 44 LEU N N 15 120.8 0.14 . 1 . . . . 44 LEU N . 6688 1 426 . 1 1 45 45 GLU H H 1 8.45 0.015 . 1 . . . . 45 GLU H . 6688 1 427 . 1 1 45 45 GLU HA H 1 3.58 0.015 . 1 . . . . 45 GLU HA . 6688 1 428 . 1 1 45 45 GLU HB2 H 1 2.24 0.02 . 1 . . . . 45 GLU HB2 . 6688 1 429 . 1 1 45 45 GLU HB3 H 1 2.02 0.02 . 1 . . . . 45 GLU HB3 . 6688 1 430 . 1 1 45 45 GLU HG2 H 1 2.48 0.02 . 1 . . . . 45 GLU HG2 . 6688 1 431 . 1 1 45 45 GLU HG3 H 1 2.34 0.02 . 1 . . . . 45 GLU HG3 . 6688 1 432 . 1 1 45 45 GLU C C 13 177.9 0.08 . 1 . . . . 45 GLU C . 6688 1 433 . 1 1 45 45 GLU CA C 13 60.02 0.31 . 1 . . . . 45 GLU CA . 6688 1 434 . 1 1 45 45 GLU CB C 13 30.38 0.31 . 1 . . . . 45 GLU CB . 6688 1 435 . 1 1 45 45 GLU CG C 13 34.08 0.31 . 1 . . . . 45 GLU CG . 6688 1 436 . 1 1 45 45 GLU N N 15 118.7 0.14 . 1 . . . . 45 GLU N . 6688 1 437 . 1 1 46 46 ASN H H 1 8.33 0.015 . 1 . . . . 46 ASN H . 6688 1 438 . 1 1 46 46 ASN HA H 1 4.42 0.015 . 1 . . . . 46 ASN HA . 6688 1 439 . 1 1 46 46 ASN HB2 H 1 2.96 0.02 . 1 . . . . 46 ASN HB2 . 6688 1 440 . 1 1 46 46 ASN HB3 H 1 2.79 0.02 . 1 . . . . 46 ASN HB3 . 6688 1 441 . 1 1 46 46 ASN HD21 H 1 6.6 0.02 . 1 . . . . 46 ASN HD21 . 6688 1 442 . 1 1 46 46 ASN HD22 H 1 7.09 0.02 . 1 . . . . 46 ASN HD22 . 6688 1 443 . 1 1 46 46 ASN C C 13 177.4 0.08 . 1 . . . . 46 ASN C . 6688 1 444 . 1 1 46 46 ASN CA C 13 55.93 0.31 . 1 . . . . 46 ASN CA . 6688 1 445 . 1 1 46 46 ASN CB C 13 38.7 0.31 . 1 . . . . 46 ASN CB . 6688 1 446 . 1 1 46 46 ASN N N 15 114.7 0.14 . 1 . . . . 46 ASN N . 6688 1 447 . 1 1 46 46 ASN ND2 N 15 118.1 0.14 . 1 . . . . 46 ASN ND2 . 6688 1 448 . 1 1 47 47 TYR H H 1 7.62 0.015 . 1 . . . . 47 TYR H . 6688 1 449 . 1 1 47 47 TYR HA H 1 4.25 0.015 . 1 . . . . 47 TYR HA . 6688 1 450 . 1 1 47 47 TYR HB2 H 1 3.55 0.02 . 1 . . . . 47 TYR HB2 . 6688 1 451 . 1 1 47 47 TYR HB3 H 1 2.99 0.02 . 1 . . . . 47 TYR HB3 . 6688 1 452 . 1 1 47 47 TYR HD1 H 1 7.07 0.02 . 3 . . . . 47 TYR HD1 . 6688 1 453 . 1 1 47 47 TYR HE1 H 1 6.65 0.02 . 3 . . . . 47 TYR HE1 . 6688 1 454 . 1 1 47 47 TYR C C 13 179.1 0.08 . 1 . . . . 47 TYR C . 6688 1 455 . 1 1 47 47 TYR CA C 13 62.11 0.31 . 1 . . . . 47 TYR CA . 6688 1 456 . 1 1 47 47 TYR CB C 13 39.37 0.31 . 1 . . . . 47 TYR CB . 6688 1 457 . 1 1 47 47 TYR CD1 C 13 134.64 0.31 . 3 . . . . 47 TYR CD1 . 6688 1 458 . 1 1 47 47 TYR CE1 C 13 117.44 0.31 . 3 . . . . 47 TYR CE1 . 6688 1 459 . 1 1 47 47 TYR N N 15 118.7 0.14 . 1 . . . . 47 TYR N . 6688 1 460 . 1 1 48 48 ILE H H 1 8.43 0.015 . 1 . . . . 48 ILE H . 6688 1 461 . 1 1 48 48 ILE HA H 1 3.36 0.015 . 1 . . . . 48 ILE HA . 6688 1 462 . 1 1 48 48 ILE HB H 1 2.18 0.02 . 1 . . . . 48 ILE HB . 6688 1 463 . 1 1 48 48 ILE HG12 H 1 2.1 0.02 . 1 . . . . 48 ILE HG12 . 6688 1 464 . 1 1 48 48 ILE HG13 H 1 1.9 0.02 . 1 . . . . 48 ILE HG13 . 6688 1 465 . 1 1 48 48 ILE HG21 H 1 0.76 0.02 . 1 . . . . 48 ILE HG2 . 6688 1 466 . 1 1 48 48 ILE HG22 H 1 0.76 0.02 . 1 . . . . 48 ILE HG2 . 6688 1 467 . 1 1 48 48 ILE HG23 H 1 0.76 0.02 . 1 . . . . 48 ILE HG2 . 6688 1 468 . 1 1 48 48 ILE HD11 H 1 0.76 0.02 . 1 . . . . 48 ILE HD1 . 6688 1 469 . 1 1 48 48 ILE HD12 H 1 0.76 0.02 . 1 . . . . 48 ILE HD1 . 6688 1 470 . 1 1 48 48 ILE HD13 H 1 0.76 0.02 . 1 . . . . 48 ILE HD1 . 6688 1 471 . 1 1 48 48 ILE C C 13 176.9 0.08 . 1 . . . . 48 ILE C . 6688 1 472 . 1 1 48 48 ILE CA C 13 61.91 0.31 . 1 . . . . 48 ILE CA . 6688 1 473 . 1 1 48 48 ILE CB C 13 34.07 0.31 . 1 . . . . 48 ILE CB . 6688 1 474 . 1 1 48 48 ILE CG1 C 13 26.26 0.31 . 1 . . . . 48 ILE CG1 . 6688 1 475 . 1 1 48 48 ILE CG2 C 13 17.83 0.31 . 1 . . . . 48 ILE CG2 . 6688 1 476 . 1 1 48 48 ILE CD1 C 13 9.39 0.31 . 1 . . . . 48 ILE CD1 . 6688 1 477 . 1 1 48 48 ILE N N 15 120.9 0.14 . 1 . . . . 48 ILE N . 6688 1 478 . 1 1 49 49 ALA H H 1 8.75 0.015 . 1 . . . . 49 ALA H . 6688 1 479 . 1 1 49 49 ALA HA H 1 3.66 0.015 . 1 . . . . 49 ALA HA . 6688 1 480 . 1 1 49 49 ALA HB1 H 1 1.45 0.02 . 1 . . . . 49 ALA HB . 6688 1 481 . 1 1 49 49 ALA HB2 H 1 1.45 0.02 . 1 . . . . 49 ALA HB . 6688 1 482 . 1 1 49 49 ALA HB3 H 1 1.45 0.02 . 1 . . . . 49 ALA HB . 6688 1 483 . 1 1 49 49 ALA C C 13 179.1 0.08 . 1 . . . . 49 ALA C . 6688 1 484 . 1 1 49 49 ALA CA C 13 55.94 0.31 . 1 . . . . 49 ALA CA . 6688 1 485 . 1 1 49 49 ALA CB C 13 18.09 0.31 . 1 . . . . 49 ALA CB . 6688 1 486 . 1 1 49 49 ALA N N 15 122.5 0.14 . 1 . . . . 49 ALA N . 6688 1 487 . 1 1 50 50 GLN H H 1 7.91 0.015 . 1 . . . . 50 GLN H . 6688 1 488 . 1 1 50 50 GLN HA H 1 4.4 0.015 . 1 . . . . 50 GLN HA . 6688 1 489 . 1 1 50 50 GLN HB2 H 1 2.13 0.02 . 1 . . . . 50 GLN HB2 . 6688 1 490 . 1 1 50 50 GLN HB3 H 1 1.97 0.02 . 1 . . . . 50 GLN HB3 . 6688 1 491 . 1 1 50 50 GLN HG2 H 1 2.54 0.02 . 1 . . . . 50 GLN HG2 . 6688 1 492 . 1 1 50 50 GLN HG3 H 1 2.37 0.02 . 1 . . . . 50 GLN HG3 . 6688 1 493 . 1 1 50 50 GLN HE21 H 1 6.73 0.02 . 1 . . . . 50 GLN HE21 . 6688 1 494 . 1 1 50 50 GLN HE22 H 1 7.38 0.02 . 1 . . . . 50 GLN HE22 . 6688 1 495 . 1 1 50 50 GLN C C 13 179 0.08 . 1 . . . . 50 GLN C . 6688 1 496 . 1 1 50 50 GLN CA C 13 58.79 0.31 . 1 . . . . 50 GLN CA . 6688 1 497 . 1 1 50 50 GLN CB C 13 28.43 0.31 . 1 . . . . 50 GLN CB . 6688 1 498 . 1 1 50 50 GLN CG C 13 34.39 0.31 . 1 . . . . 50 GLN CG . 6688 1 499 . 1 1 50 50 GLN N N 15 114.7 0.14 . 1 . . . . 50 GLN N . 6688 1 500 . 1 1 50 50 GLN NE2 N 15 111.2 0.14 . 1 . . . . 50 GLN NE2 . 6688 1 501 . 1 1 51 51 THR H H 1 7.84 0.015 . 1 . . . . 51 THR H . 6688 1 502 . 1 1 51 51 THR HA H 1 3.62 0.015 . 1 . . . . 51 THR HA . 6688 1 503 . 1 1 51 51 THR HB H 1 3.76 0.015 . 1 . . . . 51 THR HB . 6688 1 504 . 1 1 51 51 THR HG21 H 1 1 0.015 . 1 . . . . 51 THR HG1 . 6688 1 505 . 1 1 51 51 THR HG22 H 1 1 0.015 . 1 . . . . 51 THR HG1 . 6688 1 506 . 1 1 51 51 THR HG23 H 1 1 0.015 . 1 . . . . 51 THR HG1 . 6688 1 507 . 1 1 51 51 THR C C 13 176.6 0.08 . 1 . . . . 51 THR C . 6688 1 508 . 1 1 51 51 THR CA C 13 66.91 0.31 . 1 . . . . 51 THR CA . 6688 1 509 . 1 1 51 51 THR CB C 13 67.85 0.31 . 1 . . . . 51 THR CB . 6688 1 510 . 1 1 51 51 THR CG2 C 13 20.64 0.31 . 1 . . . . 51 THR CG2 . 6688 1 511 . 1 1 51 51 THR N N 15 118 0.14 . 1 . . . . 51 THR N . 6688 1 512 . 1 1 52 52 ARG H H 1 8.89 0.015 . 1 . . . . 52 ARG H . 6688 1 513 . 1 1 52 52 ARG HA H 1 4.78 0.015 . 1 . . . . 52 ARG HA . 6688 1 514 . 1 1 52 52 ARG HB2 H 1 1.99 0.02 . 1 . . . . 52 ARG HB2 . 6688 1 515 . 1 1 52 52 ARG HG2 H 1 1.56 0.02 . 1 . . . . 52 ARG HG2 . 6688 1 516 . 1 1 52 52 ARG HG3 H 1 1.47 0.02 . 1 . . . . 52 ARG HG3 . 6688 1 517 . 1 1 52 52 ARG HD2 H 1 2.62 0.02 . 1 . . . . 52 ARG HD2 . 6688 1 518 . 1 1 52 52 ARG C C 13 177 0.08 . 1 . . . . 52 ARG C . 6688 1 519 . 1 1 52 52 ARG CA C 13 59.68 0.31 . 1 . . . . 52 ARG CA . 6688 1 520 . 1 1 52 52 ARG CB C 13 29.9 0.31 . 1 . . . . 52 ARG CB . 6688 1 521 . 1 1 52 52 ARG CG C 13 25.64 0.31 . 1 . . . . 52 ARG CG . 6688 1 522 . 1 1 52 52 ARG CD C 13 41.27 0.31 . 1 . . . . 52 ARG CD . 6688 1 523 . 1 1 52 52 ARG N N 15 122.6 0.14 . 1 . . . . 52 ARG N . 6688 1 524 . 1 1 53 53 ASP H H 1 8.69 0.015 . 1 . . . . 53 ASP H . 6688 1 525 . 1 1 53 53 ASP HA H 1 4.39 0.015 . 1 . . . . 53 ASP HA . 6688 1 526 . 1 1 53 53 ASP HB2 H 1 2.76 0.02 . 1 . . . . 53 ASP HB2 . 6688 1 527 . 1 1 53 53 ASP HB3 H 1 2.62 0.02 . 1 . . . . 53 ASP HB3 . 6688 1 528 . 1 1 53 53 ASP C C 13 179.5 0.08 . 1 . . . . 53 ASP C . 6688 1 529 . 1 1 53 53 ASP CA C 13 57.81 0.31 . 1 . . . . 53 ASP CA . 6688 1 530 . 1 1 53 53 ASP CB C 13 39.07 0.31 . 1 . . . . 53 ASP CB . 6688 1 531 . 1 1 53 53 ASP N N 15 120.2 0.14 . 1 . . . . 53 ASP N . 6688 1 532 . 1 1 54 54 LYS H H 1 8.16 0.015 . 1 . . . . 54 LYS H . 6688 1 533 . 1 1 54 54 LYS HA H 1 4.07 0.015 . 1 . . . . 54 LYS HA . 6688 1 534 . 1 1 54 54 LYS HB2 H 1 1.93 0.02 . 4 . . . . 54 LYS HB2 . 6688 1 535 . 1 1 54 54 LYS HG2 H 1 1.67 0.02 . 1 . . . . 54 LYS HG2 . 6688 1 536 . 1 1 54 54 LYS HG3 H 1 1.46 0.02 . 1 . . . . 54 LYS HG3 . 6688 1 537 . 1 1 54 54 LYS HE2 H 1 2.96 0.02 . 4 . . . . 54 LYS HE2 . 6688 1 538 . 1 1 54 54 LYS C C 13 178.1 0.08 . 1 . . . . 54 LYS C . 6688 1 539 . 1 1 54 54 LYS CA C 13 59.45 0.31 . 1 . . . . 54 LYS CA . 6688 1 540 . 1 1 54 54 LYS CB C 13 32.18 0.31 . 1 . . . . 54 LYS CB . 6688 1 541 . 1 1 54 54 LYS CG C 13 25.64 0.31 . 1 . . . . 54 LYS CG . 6688 1 542 . 1 1 54 54 LYS CE C 13 41.58 0.31 . 1 . . . . 54 LYS CE . 6688 1 543 . 1 1 54 54 LYS N N 15 122.2 0.14 . 1 . . . . 54 LYS N . 6688 1 544 . 1 1 55 55 PHE H H 1 7.79 0.015 . 1 . . . . 55 PHE H . 6688 1 545 . 1 1 55 55 PHE HA H 1 4.15 0.015 . 1 . . . . 55 PHE HA . 6688 1 546 . 1 1 55 55 PHE HB2 H 1 3.14 0.02 . 1 . . . . 55 PHE HB2 . 6688 1 547 . 1 1 55 55 PHE HB3 H 1 2.81 0.02 . 1 . . . . 55 PHE HB3 . 6688 1 548 . 1 1 55 55 PHE HD1 H 1 7.52 0.02 . 3 . . . . 55 PHE HD1 . 6688 1 549 . 1 1 55 55 PHE HE1 H 1 7.39 0.02 . 3 . . . . 55 PHE HE1 . 6688 1 550 . 1 1 55 55 PHE HZ H 1 7.16 0.02 . 1 . . . . 55 PHE HZ . 6688 1 551 . 1 1 55 55 PHE C C 13 177 0.08 . 1 . . . . 55 PHE C . 6688 1 552 . 1 1 55 55 PHE CA C 13 61.25 0.31 . 1 . . . . 55 PHE CA . 6688 1 553 . 1 1 55 55 PHE CB C 13 39.03 0.31 . 1 . . . . 55 PHE CB . 6688 1 554 . 1 1 55 55 PHE CD1 C 13 131.82 0.31 . 3 . . . . 55 PHE CD1 . 6688 1 555 . 1 1 55 55 PHE CE1 C 13 133.07 0.31 . 3 . . . . 55 PHE CE1 . 6688 1 556 . 1 1 55 55 PHE CZ C 13 128.7 0.31 . 1 . . . . 55 PHE CZ . 6688 1 557 . 1 1 55 55 PHE N N 15 121.5 0.14 . 1 . . . . 55 PHE N . 6688 1 558 . 1 1 56 56 LEU H H 1 9.05 0.015 . 1 . . . . 56 LEU H . 6688 1 559 . 1 1 56 56 LEU HA H 1 3.45 0.015 . 1 . . . . 56 LEU HA . 6688 1 560 . 1 1 56 56 LEU HB2 H 1 1.9 0.02 . 1 . . . . 56 LEU HB2 . 6688 1 561 . 1 1 56 56 LEU HB3 H 1 1.28 0.02 . 1 . . . . 56 LEU HB3 . 6688 1 562 . 1 1 56 56 LEU HG H 1 1.69 0.02 . 1 . . . . 56 LEU HG . 6688 1 563 . 1 1 56 56 LEU HD11 H 1 0.76 0.02 . 2 . . . . 56 LEU HD1 . 6688 1 564 . 1 1 56 56 LEU HD12 H 1 0.76 0.02 . 2 . . . . 56 LEU HD1 . 6688 1 565 . 1 1 56 56 LEU HD13 H 1 0.76 0.02 . 2 . . . . 56 LEU HD1 . 6688 1 566 . 1 1 56 56 LEU HD21 H 1 0.31 0.02 . 2 . . . . 56 LEU HD2 . 6688 1 567 . 1 1 56 56 LEU HD22 H 1 0.31 0.02 . 2 . . . . 56 LEU HD2 . 6688 1 568 . 1 1 56 56 LEU HD23 H 1 0.31 0.02 . 2 . . . . 56 LEU HD2 . 6688 1 569 . 1 1 56 56 LEU C C 13 180.2 0.08 . 1 . . . . 56 LEU C . 6688 1 570 . 1 1 56 56 LEU CA C 13 57.83 0.31 . 1 . . . . 56 LEU CA . 6688 1 571 . 1 1 56 56 LEU CB C 13 41.35 0.31 . 1 . . . . 56 LEU CB . 6688 1 572 . 1 1 56 56 LEU CG C 13 26.58 0.31 . 1 . . . . 56 LEU CG . 6688 1 573 . 1 1 56 56 LEU CD1 C 13 23.45 0.31 . 1 . . . . 56 LEU CD1 . 6688 1 574 . 1 1 56 56 LEU CD2 C 13 24.7 0.31 . 1 . . . . 56 LEU CD2 . 6688 1 575 . 1 1 56 56 LEU N N 15 120.2 0.14 . 1 . . . . 56 LEU N . 6688 1 576 . 1 1 57 57 SER H H 1 8 0.015 . 1 . . . . 57 SER H . 6688 1 577 . 1 1 57 57 SER HA H 1 4.61 0.015 . 1 . . . . 57 SER HA . 6688 1 578 . 1 1 57 57 SER HB2 H 1 4.1 0.02 . 4 . . . . 57 SER HB2 . 6688 1 579 . 1 1 57 57 SER HB3 H 1 3.95 0.02 . 1 . . . . 57 SER HB3 . 6688 1 580 . 1 1 57 57 SER C C 13 175.8 0.08 . 1 . . . . 57 SER C . 6688 1 581 . 1 1 57 57 SER CA C 13 61.73 0.31 . 1 . . . . 57 SER CA . 6688 1 582 . 1 1 57 57 SER CB C 13 62.44 0.31 . 1 . . . . 57 SER CB . 6688 1 583 . 1 1 57 57 SER N N 15 116.4 0.14 . 1 . . . . 57 SER N . 6688 1 584 . 1 1 58 58 ALA H H 1 7.04 0.015 . 1 . . . . 58 ALA H . 6688 1 585 . 1 1 58 58 ALA HA H 1 4.29 0.015 . 1 . . . . 58 ALA HA . 6688 1 586 . 1 1 58 58 ALA HB1 H 1 1.41 0.02 . 1 . . . . 58 ALA HB . 6688 1 587 . 1 1 58 58 ALA HB2 H 1 1.41 0.02 . 1 . . . . 58 ALA HB . 6688 1 588 . 1 1 58 58 ALA HB3 H 1 1.41 0.02 . 1 . . . . 58 ALA HB . 6688 1 589 . 1 1 58 58 ALA C C 13 180.4 0.08 . 1 . . . . 58 ALA C . 6688 1 590 . 1 1 58 58 ALA CA C 13 54.05 0.31 . 1 . . . . 58 ALA CA . 6688 1 591 . 1 1 58 58 ALA CB C 13 18.55 0.31 . 1 . . . . 58 ALA CB . 6688 1 592 . 1 1 58 58 ALA N N 15 122.2 0.14 . 1 . . . . 58 ALA N . 6688 1 593 . 1 1 59 59 ALA H H 1 8.74 0.015 . 1 . . . . 59 ALA H . 6688 1 594 . 1 1 59 59 ALA HA H 1 3.77 0.015 . 1 . . . . 59 ALA HA . 6688 1 595 . 1 1 59 59 ALA HB1 H 1 0.71 0.02 . 1 . . . . 59 ALA HB . 6688 1 596 . 1 1 59 59 ALA HB2 H 1 0.71 0.02 . 1 . . . . 59 ALA HB . 6688 1 597 . 1 1 59 59 ALA HB3 H 1 0.71 0.02 . 1 . . . . 59 ALA HB . 6688 1 598 . 1 1 59 59 ALA C C 13 179.1 0.08 . 1 . . . . 59 ALA C . 6688 1 599 . 1 1 59 59 ALA CA C 13 54.11 0.31 . 1 . . . . 59 ALA CA . 6688 1 600 . 1 1 59 59 ALA CB C 13 18.95 0.31 . 1 . . . . 59 ALA CB . 6688 1 601 . 1 1 59 59 ALA N N 15 120.1 0.14 . 1 . . . . 59 ALA N . 6688 1 602 . 1 1 60 60 THR H H 1 7.97 0.015 . 1 . . . . 60 THR H . 6688 1 603 . 1 1 60 60 THR HA H 1 4.34 0.015 . 1 . . . . 60 THR HA . 6688 1 604 . 1 1 60 60 THR HB H 1 4.03 0.02 . 1 . . . . 60 THR HB . 6688 1 605 . 1 1 60 60 THR HG21 H 1 1.24 0.015 . 1 . . . . 60 THR HG2 . 6688 1 606 . 1 1 60 60 THR HG22 H 1 1.24 0.015 . 1 . . . . 60 THR HG2 . 6688 1 607 . 1 1 60 60 THR HG23 H 1 1.24 0.015 . 1 . . . . 60 THR HG2 . 6688 1 608 . 1 1 60 60 THR C C 13 175.4 0.08 . 1 . . . . 60 THR C . 6688 1 609 . 1 1 60 60 THR CA C 13 62.47 0.31 . 1 . . . . 60 THR CA . 6688 1 610 . 1 1 60 60 THR CB C 13 69.07 0.31 . 1 . . . . 60 THR CB . 6688 1 611 . 1 1 60 60 THR CG2 C 13 21.58 0.31 . 1 . . . . 60 THR CG2 . 6688 1 612 . 1 1 60 60 THR N N 15 106.2 0.14 . 1 . . . . 60 THR N . 6688 1 613 . 1 1 61 61 SER H H 1 7.28 0.015 . 1 . . . . 61 SER H . 6688 1 614 . 1 1 61 61 SER HA H 1 4.37 0.015 . 1 . . . . 61 SER HA . 6688 1 615 . 1 1 61 61 SER HB2 H 1 4.01 0.02 . 1 . . . . 61 SER HB2 . 6688 1 616 . 1 1 61 61 SER HB3 H 1 3.9 0.02 . 1 . . . . 61 SER HB3 . 6688 1 617 . 1 1 61 61 SER C C 13 174.4 0.08 . 1 . . . . 61 SER C . 6688 1 618 . 1 1 61 61 SER CA C 13 59.68 0.31 . 1 . . . . 61 SER CA . 6688 1 619 . 1 1 61 61 SER CB C 13 63.75 0.31 . 1 . . . . 61 SER CB . 6688 1 620 . 1 1 61 61 SER N N 15 115.6 0.14 . 1 . . . . 61 SER N . 6688 1 621 . 1 1 62 62 SER H H 1 7.17 0.015 . 1 . . . . 62 SER H . 6688 1 622 . 1 1 62 62 SER HA H 1 4.54 0.015 . 1 . . . . 62 SER HA . 6688 1 623 . 1 1 62 62 SER HB2 H 1 4.04 0.02 . 1 . . . . 62 SER HB2 . 6688 1 624 . 1 1 62 62 SER HB3 H 1 3.9 0.02 . 1 . . . . 62 SER HB3 . 6688 1 625 . 1 1 62 62 SER C C 13 172.8 0.08 . 1 . . . . 62 SER C . 6688 1 626 . 1 1 62 62 SER CA C 13 57.81 0.31 . 1 . . . . 62 SER CA . 6688 1 627 . 1 1 62 62 SER CB C 13 63.66 0.31 . 1 . . . . 62 SER CB . 6688 1 628 . 1 1 62 62 SER N N 15 115.6 0.14 . 1 . . . . 62 SER N . 6688 1 629 . 1 1 63 63 THR H H 1 7.81 0.015 . 1 . . . . 63 THR H . 6688 1 630 . 1 1 63 63 THR HA H 1 4.37 0.015 . 1 . . . . 63 THR HA . 6688 1 631 . 1 1 63 63 THR HB H 1 4.17 0.02 . 1 . . . . 63 THR HB . 6688 1 632 . 1 1 63 63 THR HG21 H 1 1.44 0.02 . 1 . . . . 63 THR HG2 . 6688 1 633 . 1 1 63 63 THR HG22 H 1 1.44 0.02 . 1 . . . . 63 THR HG2 . 6688 1 634 . 1 1 63 63 THR HG23 H 1 1.44 0.02 . 1 . . . . 63 THR HG2 . 6688 1 635 . 1 1 63 63 THR C C 13 172.2 0.08 . 1 . . . . 63 THR C . 6688 1 636 . 1 1 63 63 THR CA C 13 58.76 0.31 . 1 . . . . 63 THR CA . 6688 1 637 . 1 1 63 63 THR CB C 13 70 0.31 . 1 . . . . 63 THR CB . 6688 1 638 . 1 1 63 63 THR CG2 C 13 20.3 0.31 . 1 . . . . 63 THR CG2 . 6688 1 639 . 1 1 63 63 THR N N 15 115.1 0.14 . 1 . . . . 63 THR N . 6688 1 640 . 1 1 64 64 PRO C C 13 175.8 0.08 . 1 . . . . 64 PRO C . 6688 1 641 . 1 1 64 64 PRO CA C 13 63.11 0.31 . 1 . . . . 64 PRO CA . 6688 1 642 . 1 1 64 64 PRO CB C 13 32.17 0.31 . 1 . . . . 64 PRO CB . 6688 1 643 . 1 1 65 65 ARG H H 1 8.56 0.015 . 1 . . . . 65 ARG H . 6688 1 644 . 1 1 65 65 ARG HA H 1 4.75 0.015 . 1 . . . . 65 ARG HA . 6688 1 645 . 1 1 65 65 ARG HB2 H 1 2.06 0.02 . 1 . . . . 65 ARG HB2 . 6688 1 646 . 1 1 65 65 ARG HB3 H 1 1.84 0.02 . 1 . . . . 65 ARG HB3 . 6688 1 647 . 1 1 65 65 ARG HG2 H 1 2.02 0.02 . 1 . . . . 65 ARG HG2 . 6688 1 648 . 1 1 65 65 ARG HG3 H 1 1.62 0.02 . 1 . . . . 65 ARG HG3 . 6688 1 649 . 1 1 65 65 ARG HD2 H 1 2.97 0.02 . 4 . . . . 65 ARG HD2 . 6688 1 650 . 1 1 65 65 ARG C C 13 174.9 0.08 . 1 . . . . 65 ARG C . 6688 1 651 . 1 1 65 65 ARG CA C 13 54.37 0.31 . 1 . . . . 65 ARG CA . 6688 1 652 . 1 1 65 65 ARG CB C 13 32.09 0.31 . 1 . . . . 65 ARG CB . 6688 1 653 . 1 1 65 65 ARG CG C 13 26.89 0.31 . 1 . . . . 65 ARG CG . 6688 1 654 . 1 1 65 65 ARG N N 15 119.5 0.14 . 1 . . . . 65 ARG N . 6688 1 655 . 1 1 66 66 GLU H H 1 8.85 0.015 . 1 . . . . 66 GLU H . 6688 1 656 . 1 1 66 66 GLU HA H 1 4.07 0.015 . 1 . . . . 66 GLU HA . 6688 1 657 . 1 1 66 66 GLU HB2 H 1 2.23 0.02 . 1 . . . . 66 GLU HB2 . 6688 1 658 . 1 1 66 66 GLU HB3 H 1 2 0.02 . 1 . . . . 66 GLU HB3 . 6688 1 659 . 1 1 66 66 GLU HG2 H 1 2.56 0.02 . 1 . . . . 66 GLU HG2 . 6688 1 660 . 1 1 66 66 GLU HG3 H 1 2.38 0.02 . 1 . . . . 66 GLU HG3 . 6688 1 661 . 1 1 66 66 GLU C C 13 175.3 0.08 . 1 . . . . 66 GLU C . 6688 1 662 . 1 1 66 66 GLU CA C 13 56.81 0.31 . 1 . . . . 66 GLU CA . 6688 1 663 . 1 1 66 66 GLU CB C 13 30.07 0.31 . 1 . . . . 66 GLU CB . 6688 1 664 . 1 1 66 66 GLU CG C 13 34.49 0.31 . 1 . . . . 66 GLU CG . 6688 1 665 . 1 1 66 66 GLU N N 15 120.5 0.14 . 1 . . . . 66 GLU N . 6688 1 666 . 1 1 67 67 ALA H H 1 7.62 0.015 . 1 . . . . 67 ALA H . 6688 1 667 . 1 1 67 67 ALA HA H 1 4.73 0.015 . 1 . . . . 67 ALA HA . 6688 1 668 . 1 1 67 67 ALA HB1 H 1 1.39 0.02 . 1 . . . . 67 ALA HB . 6688 1 669 . 1 1 67 67 ALA HB2 H 1 1.39 0.02 . 1 . . . . 67 ALA HB . 6688 1 670 . 1 1 67 67 ALA HB3 H 1 1.39 0.02 . 1 . . . . 67 ALA HB . 6688 1 671 . 1 1 67 67 ALA C C 13 174 0.08 . 1 . . . . 67 ALA C . 6688 1 672 . 1 1 67 67 ALA CA C 13 49.67 0.31 . 1 . . . . 67 ALA CA . 6688 1 673 . 1 1 67 67 ALA CB C 13 19.68 0.31 . 1 . . . . 67 ALA CB . 6688 1 674 . 1 1 67 67 ALA N N 15 121.2 0.14 . 1 . . . . 67 ALA N . 6688 1 675 . 1 1 68 68 PRO HA H 1 4.12 0.015 . 1 . . . . 68 PRO HA . 6688 1 676 . 1 1 68 68 PRO HB2 H 1 2.06 0.02 . 1 . . . . 68 PRO HB2 . 6688 1 677 . 1 1 68 68 PRO HB3 H 1 1.84 0.02 . 1 . . . . 68 PRO HB3 . 6688 1 678 . 1 1 68 68 PRO HG2 H 1 1.63 0.02 . 1 . . . . 68 PRO HG2 . 6688 1 679 . 1 1 68 68 PRO HG3 H 1 1.46 0.02 . 1 . . . . 68 PRO HG3 . 6688 1 680 . 1 1 68 68 PRO HD2 H 1 3.14 0.02 . 1 . . . . 68 PRO HD2 . 6688 1 681 . 1 1 68 68 PRO HD3 H 1 2.76 0.02 . 1 . . . . 68 PRO HD3 . 6688 1 682 . 1 1 68 68 PRO C C 13 177.4 0.08 . 1 . . . . 68 PRO C . 6688 1 683 . 1 1 68 68 PRO CA C 13 62.83 0.31 . 1 . . . . 68 PRO CA . 6688 1 684 . 1 1 68 68 PRO CB C 13 31.24 0.31 . 1 . . . . 68 PRO CB . 6688 1 685 . 1 1 68 68 PRO CG C 13 25.33 0.31 . 1 . . . . 68 PRO CG . 6688 1 686 . 1 1 68 68 PRO CD C 13 49.46 0.31 . 1 . . . . 68 PRO CD . 6688 1 687 . 1 1 69 69 TYR H H 1 7.84 0.015 . 1 . . . . 69 TYR H . 6688 1 688 . 1 1 69 69 TYR HA H 1 5.105 0.015 . 1 . . . . 69 TYR HA . 6688 1 689 . 1 1 69 69 TYR HB2 H 1 3.73 0.02 . 1 . . . . 69 TYR HB2 . 6688 1 690 . 1 1 69 69 TYR HB3 H 1 3.03 0.02 . 1 . . . . 69 TYR HB3 . 6688 1 691 . 1 1 69 69 TYR HD1 H 1 6.89 0.02 . 3 . . . . 69 TYR HD1 . 6688 1 692 . 1 1 69 69 TYR HE1 H 1 6.67 0.02 . 3 . . . . 69 TYR HE1 . 6688 1 693 . 1 1 69 69 TYR C C 13 175.9 0.08 . 1 . . . . 69 TYR C . 6688 1 694 . 1 1 69 69 TYR CA C 13 55.61 0.31 . 1 . . . . 69 TYR CA . 6688 1 695 . 1 1 69 69 TYR CB C 13 38.11 0.31 . 1 . . . . 69 TYR CB . 6688 1 696 . 1 1 69 69 TYR CD1 C 13 131.5 0.31 . 3 . . . . 69 TYR CD1 . 6688 1 697 . 1 1 69 69 TYR CE1 C 13 118.79 0.31 . 3 . . . . 69 TYR CE1 . 6688 1 698 . 1 1 69 69 TYR N N 15 122.5 0.14 . 1 . . . . 69 TYR N . 6688 1 699 . 1 1 70 70 GLU H H 1 9.34 0.015 . 1 . . . . 70 GLU H . 6688 1 700 . 1 1 70 70 GLU HA H 1 5.61 0.02 . 1 . . . . 70 GLU HA . 6688 1 701 . 1 1 70 70 GLU HB2 H 1 2.21 0.02 . 1 . . . . 70 GLU HB2 . 6688 1 702 . 1 1 70 70 GLU HB3 H 1 2.12 0.02 . 1 . . . . 70 GLU HB3 . 6688 1 703 . 1 1 70 70 GLU HG2 H 1 2.49 0.02 . 1 . . . . 70 GLU HG2 . 6688 1 704 . 1 1 70 70 GLU HG3 H 1 2.32 0.02 . 1 . . . . 70 GLU HG3 . 6688 1 705 . 1 1 70 70 GLU C C 13 173.7 0.08 . 1 . . . . 70 GLU C . 6688 1 706 . 1 1 70 70 GLU CA C 13 55.61 0.31 . 1 . . . . 70 GLU CA . 6688 1 707 . 1 1 70 70 GLU CB C 13 35.3 0.31 . 1 . . . . 70 GLU CB . 6688 1 708 . 1 1 70 70 GLU CG C 13 36.58 0.31 . 1 . . . . 70 GLU CG . 6688 1 709 . 1 1 70 70 GLU N N 15 119.5 0.14 . 1 . . . . 70 GLU N . 6688 1 710 . 1 1 71 71 LEU H H 1 7.99 0.015 . 1 . . . . 71 LEU H . 6688 1 711 . 1 1 71 71 LEU HA H 1 4.86 0.015 . 1 . . . . 71 LEU HA . 6688 1 712 . 1 1 71 71 LEU HB2 H 1 1 0.02 . 1 . . . . 71 LEU HB2 . 6688 1 713 . 1 1 71 71 LEU HB3 H 1 -0.57 0.02 . 1 . . . . 71 LEU HB3 . 6688 1 714 . 1 1 71 71 LEU HG H 1 1.03 0.02 . 1 . . . . 71 LEU HG . 6688 1 715 . 1 1 71 71 LEU HD11 H 1 0.61 0.02 . 2 . . . . 71 LEU HD1 . 6688 1 716 . 1 1 71 71 LEU HD12 H 1 0.61 0.02 . 2 . . . . 71 LEU HD1 . 6688 1 717 . 1 1 71 71 LEU HD13 H 1 0.61 0.02 . 2 . . . . 71 LEU HD1 . 6688 1 718 . 1 1 71 71 LEU HD21 H 1 0.47 0.02 . 2 . . . . 71 LEU HD2 . 6688 1 719 . 1 1 71 71 LEU HD22 H 1 0.47 0.02 . 2 . . . . 71 LEU HD2 . 6688 1 720 . 1 1 71 71 LEU HD23 H 1 0.47 0.02 . 2 . . . . 71 LEU HD2 . 6688 1 721 . 1 1 71 71 LEU C C 13 174.4 0.08 . 1 . . . . 71 LEU C . 6688 1 722 . 1 1 71 71 LEU CA C 13 53.44 0.31 . 1 . . . . 71 LEU CA . 6688 1 723 . 1 1 71 71 LEU CB C 13 42.44 0.31 . 1 . . . . 71 LEU CB . 6688 1 724 . 1 1 71 71 LEU CG C 13 27.2 0.31 . 1 . . . . 71 LEU CG . 6688 1 725 . 1 1 71 71 LEU CD1 C 13 22.51 0.31 . 1 . . . . 71 LEU CD1 . 6688 1 726 . 1 1 71 71 LEU CD2 C 13 25.02 0.31 . 1 . . . . 71 LEU CD2 . 6688 1 727 . 1 1 71 71 LEU N N 15 125 0.14 . 1 . . . . 71 LEU N . 6688 1 728 . 1 1 72 72 ASN H H 1 9.6 0.015 . 1 . . . . 72 ASN H . 6688 1 729 . 1 1 72 72 ASN HA H 1 5.98 0.015 . 1 . . . . 72 ASN HA . 6688 1 730 . 1 1 72 72 ASN HB2 H 1 2.95 0.02 . 1 . . . . 72 ASN HB2 . 6688 1 731 . 1 1 72 72 ASN HB3 H 1 2.81 0.02 . 1 . . . . 72 ASN HB3 . 6688 1 732 . 1 1 72 72 ASN C C 13 174.6 0.08 . 1 . . . . 72 ASN C . 6688 1 733 . 1 1 72 72 ASN CA C 13 51.54 0.31 . 1 . . . . 72 ASN CA . 6688 1 734 . 1 1 72 72 ASN CB C 13 42.25 0.31 . 1 . . . . 72 ASN CB . 6688 1 735 . 1 1 72 72 ASN N N 15 127.6 0.14 . 1 . . . . 72 ASN N . 6688 1 736 . 1 1 73 73 ILE H H 1 9.16 0.015 . 1 . . . . 73 ILE H . 6688 1 737 . 1 1 73 73 ILE HA H 1 5.51 0.015 . 1 . . . . 73 ILE HA . 6688 1 738 . 1 1 73 73 ILE HB H 1 1.84 0.02 . 1 . . . . 73 ILE HB . 6688 1 739 . 1 1 73 73 ILE HG12 H 1 1.64 0.02 . 1 . . . . 73 ILE HG12 . 6688 1 740 . 1 1 73 73 ILE HG13 H 1 1.28 0.02 . 1 . . . . 73 ILE HG13 . 6688 1 741 . 1 1 73 73 ILE HG21 H 1 0.85 0.02 . 1 . . . . 73 ILE HG2 . 6688 1 742 . 1 1 73 73 ILE HG22 H 1 0.85 0.02 . 1 . . . . 73 ILE HG2 . 6688 1 743 . 1 1 73 73 ILE HG23 H 1 0.85 0.02 . 1 . . . . 73 ILE HG2 . 6688 1 744 . 1 1 73 73 ILE HD11 H 1 0.8 0.02 . 1 . . . . 73 ILE HD1 . 6688 1 745 . 1 1 73 73 ILE HD12 H 1 0.8 0.02 . 1 . . . . 73 ILE HD1 . 6688 1 746 . 1 1 73 73 ILE HD13 H 1 0.8 0.02 . 1 . . . . 73 ILE HD1 . 6688 1 747 . 1 1 73 73 ILE C C 13 175.7 0.08 . 1 . . . . 73 ILE C . 6688 1 748 . 1 1 73 73 ILE CA C 13 60.18 0.31 . 1 . . . . 73 ILE CA . 6688 1 749 . 1 1 73 73 ILE CB C 13 40.94 0.31 . 1 . . . . 73 ILE CB . 6688 1 750 . 1 1 73 73 ILE CG1 C 13 26.89 0.31 . 1 . . . . 73 ILE CG1 . 6688 1 751 . 1 1 73 73 ILE CG2 C 13 16.89 0.31 . 1 . . . . 73 ILE CG2 . 6688 1 752 . 1 1 73 73 ILE CD1 C 13 12.2 0.31 . 1 . . . . 73 ILE CD1 . 6688 1 753 . 1 1 73 73 ILE N N 15 124.5 0.14 . 1 . . . . 73 ILE N . 6688 1 754 . 1 1 74 74 THR H H 1 8.66 0.015 . 1 . . . . 74 THR H . 6688 1 755 . 1 1 74 74 THR HA H 1 4.97 0.015 . 1 . . . . 74 THR HA . 6688 1 756 . 1 1 74 74 THR HB H 1 4.4 0.02 . 1 . . . . 74 THR HB . 6688 1 757 . 1 1 74 74 THR HG21 H 1 1.25 0.015 . 1 . . . . 74 THR HG2 . 6688 1 758 . 1 1 74 74 THR HG22 H 1 1.25 0.015 . 1 . . . . 74 THR HG2 . 6688 1 759 . 1 1 74 74 THR HG23 H 1 1.25 0.015 . 1 . . . . 74 THR HG2 . 6688 1 760 . 1 1 74 74 THR C C 13 173.3 0.08 . 1 . . . . 74 THR C . 6688 1 761 . 1 1 74 74 THR CA C 13 59.98 0.31 . 1 . . . . 74 THR CA . 6688 1 762 . 1 1 74 74 THR CB C 13 71.57 0.31 . 1 . . . . 74 THR CB . 6688 1 763 . 1 1 74 74 THR CG2 C 13 21.58 0.31 . 1 . . . . 74 THR CG2 . 6688 1 764 . 1 1 74 74 THR N N 15 120.4 0.14 . 1 . . . . 74 THR N . 6688 1 765 . 1 1 75 75 SER H H 1 8.72 0.015 . 1 . . . . 75 SER H . 6688 1 766 . 1 1 75 75 SER HA H 1 5.6 0.015 . 1 . . . . 75 SER HA . 6688 1 767 . 1 1 75 75 SER HB2 H 1 3.63 0.02 . 1 . . . . 75 SER HB2 . 6688 1 768 . 1 1 75 75 SER HB3 H 1 3.5 0.02 . 1 . . . . 75 SER HB3 . 6688 1 769 . 1 1 75 75 SER C C 13 172.8 0.08 . 1 . . . . 75 SER C . 6688 1 770 . 1 1 75 75 SER CA C 13 57.5 0.31 . 1 . . . . 75 SER CA . 6688 1 771 . 1 1 75 75 SER CB C 13 67.2 0.31 . 1 . . . . 75 SER CB . 6688 1 772 . 1 1 75 75 SER N N 15 112.7 0.14 . 1 . . . . 75 SER N . 6688 1 773 . 1 1 76 76 ALA H H 1 8.56 0.015 . 1 . . . . 76 ALA H . 6688 1 774 . 1 1 76 76 ALA HA H 1 4.7 0.015 . 1 . . . . 76 ALA HA . 6688 1 775 . 1 1 76 76 ALA HB1 H 1 1.3 0.02 . 1 . . . . 76 ALA HB . 6688 1 776 . 1 1 76 76 ALA HB2 H 1 1.3 0.02 . 1 . . . . 76 ALA HB . 6688 1 777 . 1 1 76 76 ALA HB3 H 1 1.3 0.02 . 1 . . . . 76 ALA HB . 6688 1 778 . 1 1 76 76 ALA C C 13 175.8 0.08 . 1 . . . . 76 ALA C . 6688 1 779 . 1 1 76 76 ALA CA C 13 50.9 0.31 . 1 . . . . 76 ALA CA . 6688 1 780 . 1 1 76 76 ALA CB C 13 22.8 0.31 . 1 . . . . 76 ALA CB . 6688 1 781 . 1 1 76 76 ALA N N 15 124.5 0.14 . 1 . . . . 76 ALA N . 6688 1 782 . 1 1 77 77 THR H H 1 8.14 0.015 . 1 . . . . 77 THR H . 6688 1 783 . 1 1 77 77 THR HA H 1 5.28 0.015 . 1 . . . . 77 THR HA . 6688 1 784 . 1 1 77 77 THR HB H 1 4.34 0.02 . 1 . . . . 77 THR HB . 6688 1 785 . 1 1 77 77 THR HG21 H 1 1.26 0.015 . 1 . . . . 77 THR HG2 . 6688 1 786 . 1 1 77 77 THR HG22 H 1 1.26 0.015 . 1 . . . . 77 THR HG2 . 6688 1 787 . 1 1 77 77 THR HG23 H 1 1.26 0.015 . 1 . . . . 77 THR HG2 . 6688 1 788 . 1 1 77 77 THR C C 13 173.3 0.08 . 1 . . . . 77 THR C . 6688 1 789 . 1 1 77 77 THR CA C 13 59.78 0.31 . 1 . . . . 77 THR CA . 6688 1 790 . 1 1 77 77 THR CB C 13 71.23 0.31 . 1 . . . . 77 THR CB . 6688 1 791 . 1 1 77 77 THR CG2 C 13 20.95 0.31 . 1 . . . . 77 THR CG2 . 6688 1 792 . 1 1 77 77 THR N N 15 111.5 0.14 . 1 . . . . 77 THR N . 6688 1 793 . 1 1 78 78 TYR H H 1 8.39 0.015 . 1 . . . . 78 TYR H . 6688 1 794 . 1 1 78 78 TYR HA H 1 4.84 0.015 . 1 . . . . 78 TYR HA . 6688 1 795 . 1 1 78 78 TYR HB2 H 1 2.98 0.02 . 1 . . . . 78 TYR HB2 . 6688 1 796 . 1 1 78 78 TYR HB3 H 1 2.42 0.02 . 1 . . . . 78 TYR HB3 . 6688 1 797 . 1 1 78 78 TYR HD1 H 1 6.84 0.02 . 3 . . . . 78 TYR HD1 . 6688 1 798 . 1 1 78 78 TYR HE1 H 1 6.53 0.02 . 3 . . . . 78 TYR HE1 . 6688 1 799 . 1 1 78 78 TYR C C 13 174.8 0.08 . 1 . . . . 78 TYR C . 6688 1 800 . 1 1 78 78 TYR CA C 13 56.71 0.31 . 1 . . . . 78 TYR CA . 6688 1 801 . 1 1 78 78 TYR CB C 13 43.02 0.31 . 1 . . . . 78 TYR CB . 6688 1 802 . 1 1 78 78 TYR CD1 C 13 133.78 0.31 . 3 . . . . 78 TYR CD1 . 6688 1 803 . 1 1 78 78 TYR CE1 C 13 118.24 0.31 . 3 . . . . 78 TYR CE1 . 6688 1 804 . 1 1 78 78 TYR N N 15 118.5 0.14 . 1 . . . . 78 TYR N . 6688 1 805 . 1 1 79 79 GLN H H 1 8.99 0.015 . 1 . . . . 79 GLN H . 6688 1 806 . 1 1 79 79 GLN HA H 1 5.29 0.015 . 1 . . . . 79 GLN HA . 6688 1 807 . 1 1 79 79 GLN HB2 H 1 2.31 0.015 . 1 . . . . 79 GLN HB2 . 6688 1 808 . 1 1 79 79 GLN HB3 H 1 2.25 0.015 . 1 . . . . 79 GLN HB3 . 6688 1 809 . 1 1 79 79 GLN C C 13 174 0.08 . 1 . . . . 79 GLN C . 6688 1 810 . 1 1 79 79 GLN CA C 13 55 0.31 . 1 . . . . 79 GLN CA . 6688 1 811 . 1 1 79 79 GLN CB C 13 32.18 0.31 . 1 . . . . 79 GLN CB . 6688 1 812 . 1 1 79 79 GLN N N 15 121.3 0.14 . 1 . . . . 79 GLN N . 6688 1 813 . 1 1 80 80 SER H H 1 8.55 0.015 . 1 . . . . 80 SER H . 6688 1 814 . 1 1 80 80 SER HA H 1 4.81 0.015 . 1 . . . . 80 SER HA . 6688 1 815 . 1 1 80 80 SER HB2 H 1 3.61 0.02 . 1 . . . . 80 SER HB2 . 6688 1 816 . 1 1 80 80 SER HB3 H 1 3.4 0.02 . 1 . . . . 80 SER HB3 . 6688 1 817 . 1 1 80 80 SER C C 13 173.9 0.08 . 1 . . . . 80 SER C . 6688 1 818 . 1 1 80 80 SER CA C 13 57.18 0.31 . 1 . . . . 80 SER CA . 6688 1 819 . 1 1 80 80 SER CB C 13 66.32 0.31 . 1 . . . . 80 SER CB . 6688 1 820 . 1 1 80 80 SER N N 15 116.5 0.14 . 1 . . . . 80 SER N . 6688 1 821 . 1 1 81 81 ALA H H 1 9.43 0.015 . 1 . . . . 81 ALA H . 6688 1 822 . 1 1 81 81 ALA HA H 1 4.76 0.015 . 1 . . . . 81 ALA HA . 6688 1 823 . 1 1 81 81 ALA HB1 H 1 1.42 0.02 . 1 . . . . 81 ALA HB . 6688 1 824 . 1 1 81 81 ALA HB2 H 1 1.42 0.02 . 1 . . . . 81 ALA HB . 6688 1 825 . 1 1 81 81 ALA HB3 H 1 1.42 0.02 . 1 . . . . 81 ALA HB . 6688 1 826 . 1 1 81 81 ALA C C 13 176 0.08 . 1 . . . . 81 ALA C . 6688 1 827 . 1 1 81 81 ALA CA C 13 51.89 0.31 . 1 . . . . 81 ALA CA . 6688 1 828 . 1 1 81 81 ALA CB C 13 20.01 0.31 . 1 . . . . 81 ALA CB . 6688 1 829 . 1 1 81 81 ALA N N 15 126.6 0.14 . 1 . . . . 81 ALA N . 6688 1 830 . 1 1 82 82 ILE H H 1 7.92 0.015 . 1 . . . . 82 ILE H . 6688 1 831 . 1 1 82 82 ILE HA H 1 4.4 0.015 . 1 . . . . 82 ILE HA . 6688 1 832 . 1 1 82 82 ILE HB H 1 1.88 0.02 . 1 . . . . 82 ILE HB . 6688 1 833 . 1 1 82 82 ILE HG12 H 1 1.43 0.02 . 1 . . . . 82 ILE HG12 . 6688 1 834 . 1 1 82 82 ILE HG13 H 1 1.29 0.02 . 1 . . . . 82 ILE HG13 . 6688 1 835 . 1 1 82 82 ILE HG21 H 1 0.95 0.02 . 1 . . . . 82 ILE HG2 . 6688 1 836 . 1 1 82 82 ILE HG22 H 1 0.95 0.02 . 1 . . . . 82 ILE HG2 . 6688 1 837 . 1 1 82 82 ILE HG23 H 1 0.95 0.02 . 1 . . . . 82 ILE HG2 . 6688 1 838 . 1 1 82 82 ILE HD11 H 1 0.85 0.02 . 1 . . . . 82 ILE HD1 . 6688 1 839 . 1 1 82 82 ILE HD12 H 1 0.85 0.02 . 1 . . . . 82 ILE HD1 . 6688 1 840 . 1 1 82 82 ILE HD13 H 1 0.85 0.02 . 1 . . . . 82 ILE HD1 . 6688 1 841 . 1 1 82 82 ILE C C 13 173.6 0.08 . 1 . . . . 82 ILE C . 6688 1 842 . 1 1 82 82 ILE CA C 13 58.11 0.31 . 1 . . . . 82 ILE CA . 6688 1 843 . 1 1 82 82 ILE CB C 13 37.91 0.31 . 1 . . . . 82 ILE CB . 6688 1 844 . 1 1 82 82 ILE CG1 C 13 26.26 0.31 . 1 . . . . 82 ILE CG1 . 6688 1 845 . 1 1 82 82 ILE CG2 C 13 16.58 0.31 . 1 . . . . 82 ILE CG2 . 6688 1 846 . 1 1 82 82 ILE CD1 C 13 11.26 0.31 . 1 . . . . 82 ILE CD1 . 6688 1 847 . 1 1 82 82 ILE N N 15 123.6 0.14 . 1 . . . . 82 ILE N . 6688 1 848 . 1 1 84 84 PRO HA H 1 4.31 0.015 . 9 . . . . 84 PRO HA . 6688 1 849 . 1 1 84 84 PRO HB2 H 1 2.34 0.02 . 9 . . . . 84 PRO HB2 . 6688 1 850 . 1 1 84 84 PRO HB3 H 1 1.99 0.02 . 9 . . . . 84 PRO HB3 . 6688 1 851 . 1 1 84 84 PRO C C 13 176 0.08 . 1 . . . . 84 PRO C . 6688 1 852 . 1 1 84 84 PRO CA C 13 64.06 0.31 . 1 . . . . 84 PRO CA . 6688 1 853 . 1 1 84 84 PRO CB C 13 34.05 0.31 . 1 . . . . 84 PRO CB . 6688 1 854 . 1 1 85 85 ARG H H 1 8.33 0.015 . 1 . . . . 85 ARG H . 6688 1 855 . 1 1 85 85 ARG HA H 1 4.53 0.015 . 1 . . . . 85 ARG HA . 6688 1 856 . 1 1 85 85 ARG HB2 H 1 1.81 0.02 . 1 . . . . 85 ARG HB2 . 6688 1 857 . 1 1 85 85 ARG HB3 H 1 1.77 0.02 . 1 . . . . 85 ARG HB3 . 6688 1 858 . 1 1 85 85 ARG HG2 H 1 1.57 0.02 . 1 . . . . 85 ARG HG2 . 6688 1 859 . 1 1 85 85 ARG HG3 H 1 1.26 0.02 . 1 . . . . 85 ARG HG3 . 6688 1 860 . 1 1 85 85 ARG HD2 H 1 3.03 0.02 . 1 . . . . 85 ARG HD2 . 6688 1 861 . 1 1 85 85 ARG HD3 H 1 2.79 0.02 . 1 . . . . 85 ARG HD3 . 6688 1 862 . 1 1 85 85 ARG C C 13 175.2 0.08 . 1 . . . . 85 ARG C . 6688 1 863 . 1 1 85 85 ARG CA C 13 55.3 0.31 . 1 . . . . 85 ARG CA . 6688 1 864 . 1 1 85 85 ARG CB C 13 31.25 0.31 . 1 . . . . 85 ARG CB . 6688 1 865 . 1 1 85 85 ARG CG C 13 26.27 0.31 . 1 . . . . 85 ARG CG . 6688 1 866 . 1 1 85 85 ARG CD C 13 41.9 0.31 . 1 . . . . 85 ARG CD . 6688 1 867 . 1 1 85 85 ARG N N 15 123.5 0.14 . 1 . . . . 85 ARG N . 6688 1 868 . 1 1 86 86 GLY H H 1 8.41 0.015 . 1 . . . . 86 GLY H . 6688 1 869 . 1 1 86 86 GLY HA2 H 1 4.37 0.015 . 1 . . . . 86 GLY HA2 . 6688 1 870 . 1 1 86 86 GLY HA3 H 1 3.93 0.015 . 1 . . . . 86 GLY HA3 . 6688 1 871 . 1 1 86 86 GLY C C 13 175.2 0.08 . 1 . . . . 86 GLY C . 6688 1 872 . 1 1 86 86 GLY CA C 13 45.32 0.31 . 1 . . . . 86 GLY CA . 6688 1 873 . 1 1 86 86 GLY N N 15 110.9 0.14 . 1 . . . . 86 GLY N . 6688 1 874 . 1 1 87 87 THR H H 1 8.41 0.015 . 1 . . . . 87 THR H . 6688 1 875 . 1 1 87 87 THR HA H 1 5.73 0.015 . 1 . . . . 87 THR HA . 6688 1 876 . 1 1 87 87 THR HB H 1 4.3 0.02 . 1 . . . . 87 THR HB . 6688 1 877 . 1 1 87 87 THR HG21 H 1 1.01 0.02 . 1 . . . . 87 THR HG2 . 6688 1 878 . 1 1 87 87 THR HG22 H 1 1.01 0.02 . 1 . . . . 87 THR HG2 . 6688 1 879 . 1 1 87 87 THR HG23 H 1 1.01 0.02 . 1 . . . . 87 THR HG2 . 6688 1 880 . 1 1 87 87 THR C C 13 177.7 0.08 . 1 . . . . 87 THR C . 6688 1 881 . 1 1 87 87 THR CA C 13 60.32 0.31 . 1 . . . . 87 THR CA . 6688 1 882 . 1 1 87 87 THR CB C 13 72.49 0.31 . 1 . . . . 87 THR CB . 6688 1 883 . 1 1 87 87 THR CG2 C 13 21.26 0.31 . 1 . . . . 87 THR CG2 . 6688 1 884 . 1 1 87 87 THR N N 15 111.6 0.14 . 1 . . . . 87 THR N . 6688 1 885 . 1 1 88 88 GLN H H 1 9.28 0.015 . 1 . . . . 88 GLN H . 6688 1 886 . 1 1 88 88 GLN HA H 1 5.37 0.015 . 1 . . . . 88 GLN HA . 6688 1 887 . 1 1 88 88 GLN HB2 H 1 2.43 0.02 . 1 . . . . 88 GLN HB2 . 6688 1 888 . 1 1 88 88 GLN HB3 H 1 2.35 0.02 . 1 . . . . 88 GLN HB3 . 6688 1 889 . 1 1 88 88 GLN HG2 H 1 2.52 0.02 . 4 . . . . 88 GLN HG2 . 6688 1 890 . 1 1 88 88 GLN HE21 H 1 6.7 0.02 . 1 . . . . 88 GLN HE21 . 6688 1 891 . 1 1 88 88 GLN HE22 H 1 6.95 0.02 . 1 . . . . 88 GLN HE22 . 6688 1 892 . 1 1 88 88 GLN C C 13 173.7 0.08 . 1 . . . . 88 GLN C . 6688 1 893 . 1 1 88 88 GLN CA C 13 55.32 0.31 . 1 . . . . 88 GLN CA . 6688 1 894 . 1 1 88 88 GLN CB C 13 34.06 0.31 . 1 . . . . 88 GLN CB . 6688 1 895 . 1 1 88 88 GLN CG C 13 34.39 0.31 . 1 . . . . 88 GLN CG . 6688 1 896 . 1 1 88 88 GLN N N 15 117.8 0.14 . 1 . . . . 88 GLN N . 6688 1 897 . 1 1 88 88 GLN NE2 N 15 110.7 0.14 . 1 . . . . 88 GLN NE2 . 6688 1 898 . 1 1 89 89 ALA H H 1 9.14 0.015 . 1 . . . . 89 ALA H . 6688 1 899 . 1 1 89 89 ALA HA H 1 5.94 0.015 . 1 . . . . 89 ALA HA . 6688 1 900 . 1 1 89 89 ALA HB1 H 1 1.6 0.02 . 1 . . . . 89 ALA HB . 6688 1 901 . 1 1 89 89 ALA HB2 H 1 1.6 0.02 . 1 . . . . 89 ALA HB . 6688 1 902 . 1 1 89 89 ALA HB3 H 1 1.6 0.02 . 1 . . . . 89 ALA HB . 6688 1 903 . 1 1 89 89 ALA C C 13 177.3 0.08 . 1 . . . . 89 ALA C . 6688 1 904 . 1 1 89 89 ALA CA C 13 50.94 0.31 . 1 . . . . 89 ALA CA . 6688 1 905 . 1 1 89 89 ALA CB C 13 23.12 0.31 . 1 . . . . 89 ALA CB . 6688 1 906 . 1 1 89 89 ALA N N 15 122.6 0.14 . 1 . . . . 89 ALA N . 6688 1 907 . 1 1 90 90 VAL H H 1 9 0.015 . 1 . . . . 90 VAL H . 6688 1 908 . 1 1 90 90 VAL HA H 1 4.96 0.015 . 1 . . . . 90 VAL HA . 6688 1 909 . 1 1 90 90 VAL HB H 1 1.43 0.02 . 1 . . . . 90 VAL HB . 6688 1 910 . 1 1 90 90 VAL HG11 H 1 0.55 0.02 . 1 . . . . 90 VAL HG1 . 6688 1 911 . 1 1 90 90 VAL HG12 H 1 0.55 0.02 . 1 . . . . 90 VAL HG1 . 6688 1 912 . 1 1 90 90 VAL HG13 H 1 0.55 0.02 . 1 . . . . 90 VAL HG1 . 6688 1 913 . 1 1 90 90 VAL HG21 H 1 0.25 0.02 . 1 . . . . 90 VAL HG2 . 6688 1 914 . 1 1 90 90 VAL HG22 H 1 0.25 0.02 . 1 . . . . 90 VAL HG2 . 6688 1 915 . 1 1 90 90 VAL HG23 H 1 0.25 0.02 . 1 . . . . 90 VAL HG2 . 6688 1 916 . 1 1 90 90 VAL C C 13 172.4 0.08 . 1 . . . . 90 VAL C . 6688 1 917 . 1 1 90 90 VAL CA C 13 59.7 0.31 . 1 . . . . 90 VAL CA . 6688 1 918 . 1 1 90 90 VAL CB C 13 34.97 0.31 . 1 . . . . 90 VAL CB . 6688 1 919 . 1 1 90 90 VAL CG1 C 13 22.5 0.31 . 1 . . . . 90 VAL CG1 . 6688 1 920 . 1 1 90 90 VAL CG2 C 13 20.01 0.31 . 1 . . . . 90 VAL CG2 . 6688 1 921 . 1 1 90 90 VAL N N 15 120.6 0.14 . 1 . . . . 90 VAL N . 6688 1 922 . 1 1 91 91 VAL H H 1 9.1 0.015 . 1 . . . . 91 VAL H . 6688 1 923 . 1 1 91 91 VAL HA H 1 4.4 0.015 . 1 . . . . 91 VAL HA . 6688 1 924 . 1 1 91 91 VAL HB H 1 1.66 0.02 . 1 . . . . 91 VAL HB . 6688 1 925 . 1 1 91 91 VAL HG11 H 1 0.45 0.02 . 2 . . . . 91 VAL HG1 . 6688 1 926 . 1 1 91 91 VAL HG12 H 1 0.45 0.02 . 2 . . . . 91 VAL HG1 . 6688 1 927 . 1 1 91 91 VAL HG13 H 1 0.45 0.02 . 2 . . . . 91 VAL HG1 . 6688 1 928 . 1 1 91 91 VAL HG21 H 1 -0.17 0.02 . 2 . . . . 91 VAL HG2 . 6688 1 929 . 1 1 91 91 VAL HG22 H 1 -0.17 0.02 . 2 . . . . 91 VAL HG2 . 6688 1 930 . 1 1 91 91 VAL HG23 H 1 -0.17 0.02 . 2 . . . . 91 VAL HG2 . 6688 1 931 . 1 1 91 91 VAL C C 13 175.4 0.08 . 1 . . . . 91 VAL C . 6688 1 932 . 1 1 91 91 VAL CA C 13 60.92 0.31 . 1 . . . . 91 VAL CA . 6688 1 933 . 1 1 91 91 VAL CB C 13 33.75 0.31 . 1 . . . . 91 VAL CB . 6688 1 934 . 1 1 91 91 VAL CG1 C 13 21.26 0.31 . 1 . . . . 91 VAL CG1 . 6688 1 935 . 1 1 91 91 VAL CG2 C 13 19.39 0.31 . 1 . . . . 91 VAL CG2 . 6688 1 936 . 1 1 91 91 VAL N N 15 126.4 0.14 . 1 . . . . 91 VAL N . 6688 1 937 . 1 1 92 92 LEU H H 1 9.52 0.015 . 1 . . . . 92 LEU H . 6688 1 938 . 1 1 92 92 LEU HA H 1 5.07 0.015 . 1 . . . . 92 LEU HA . 6688 1 939 . 1 1 92 92 LEU HB2 H 1 1.92 0.02 . 1 . . . . 92 LEU HB2 . 6688 1 940 . 1 1 92 92 LEU HB3 H 1 1.22 0.02 . 1 . . . . 92 LEU HB3 . 6688 1 941 . 1 1 92 92 LEU HG H 1 1.68 0.02 . 1 . . . . 92 LEU HG . 6688 1 942 . 1 1 92 92 LEU HD11 H 1 0.86 0.02 . 4 . . . . 92 LEU HD1 . 6688 1 943 . 1 1 92 92 LEU HD12 H 1 0.86 0.02 . 4 . . . . 92 LEU HD1 . 6688 1 944 . 1 1 92 92 LEU HD13 H 1 0.86 0.02 . 4 . . . . 92 LEU HD1 . 6688 1 945 . 1 1 92 92 LEU HD21 H 1 0.66 0.02 . 4 . . . . 92 LEU HD2 . 6688 1 946 . 1 1 92 92 LEU HD22 H 1 0.66 0.02 . 4 . . . . 92 LEU HD2 . 6688 1 947 . 1 1 92 92 LEU HD23 H 1 0.66 0.02 . 4 . . . . 92 LEU HD2 . 6688 1 948 . 1 1 92 92 LEU C C 13 174.6 0.08 . 1 . . . . 92 LEU C . 6688 1 949 . 1 1 92 92 LEU CA C 13 52.8 0.31 . 1 . . . . 92 LEU CA . 6688 1 950 . 1 1 92 92 LEU CB C 13 42.81 0.31 . 1 . . . . 92 LEU CB . 6688 1 951 . 1 1 92 92 LEU CG C 13 27.31 0.31 . 1 . . . . 92 LEU CG . 6688 1 952 . 1 1 92 92 LEU CD1 C 13 24.08 0.31 . 4 . . . . 92 LEU CD1 . 6688 1 953 . 1 1 92 92 LEU N N 15 129.6 0.14 . 1 . . . . 92 LEU N . 6688 1 954 . 1 1 93 93 LYS H H 1 8.86 0.015 . 1 . . . . 93 LYS H . 6688 1 955 . 1 1 93 93 LYS HA H 1 4.55 0.015 . 1 . . . . 93 LYS HA . 6688 1 956 . 1 1 93 93 LYS HB2 H 1 1.85 0.02 . 1 . . . . 93 LYS HB2 . 6688 1 957 . 1 1 93 93 LYS HB3 H 1 1.77 0.02 . 1 . . . . 93 LYS HB3 . 6688 1 958 . 1 1 93 93 LYS HG2 H 1 1.47 0.02 . 4 . . . . 93 LYS HG2 . 6688 1 959 . 1 1 93 93 LYS HD2 H 1 1.62 0.02 . 4 . . . . 93 LYS HD2 . 6688 1 960 . 1 1 93 93 LYS HE2 H 1 2.94 0.02 . 4 . . . . 93 LYS HE2 . 6688 1 961 . 1 1 93 93 LYS C C 13 175.3 0.08 . 1 . . . . 93 LYS C . 6688 1 962 . 1 1 93 93 LYS CA C 13 55.43 0.31 . 1 . . . . 93 LYS CA . 6688 1 963 . 1 1 93 93 LYS CB C 13 33.18 0.31 . 1 . . . . 93 LYS CB . 6688 1 964 . 1 1 93 93 LYS CG C 13 25.95 0.31 . 1 . . . . 93 LYS CG . 6688 1 965 . 1 1 93 93 LYS CD C 13 28.76 0.31 . 1 . . . . 93 LYS CD . 6688 1 966 . 1 1 93 93 LYS CE C 13 41.58 0.31 . 1 . . . . 93 LYS CE . 6688 1 967 . 1 1 93 93 LYS N N 15 124.9 0.14 . 1 . . . . 93 LYS N . 6688 1 968 . 1 1 94 94 VAL H H 1 9.6 0.015 . 1 . . . . 94 VAL H . 6688 1 969 . 1 1 94 94 VAL HA H 1 4.34 0.015 . 1 . . . . 94 VAL HA . 6688 1 970 . 1 1 94 94 VAL HB H 1 2.27 0.02 . 1 . . . . 94 VAL HB . 6688 1 971 . 1 1 94 94 VAL HG11 H 1 0.96 0.02 . 1 . . . . 94 VAL HG1 . 6688 1 972 . 1 1 94 94 VAL HG12 H 1 0.96 0.02 . 1 . . . . 94 VAL HG1 . 6688 1 973 . 1 1 94 94 VAL HG13 H 1 0.96 0.02 . 1 . . . . 94 VAL HG1 . 6688 1 974 . 1 1 94 94 VAL HG21 H 1 0.67 0.02 . 1 . . . . 94 VAL HG2 . 6688 1 975 . 1 1 94 94 VAL HG22 H 1 0.67 0.02 . 1 . . . . 94 VAL HG2 . 6688 1 976 . 1 1 94 94 VAL HG23 H 1 0.67 0.02 . 1 . . . . 94 VAL HG2 . 6688 1 977 . 1 1 94 94 VAL C C 13 174.5 0.08 . 1 . . . . 94 VAL C . 6688 1 978 . 1 1 94 94 VAL CA C 13 62.07 0.31 . 1 . . . . 94 VAL CA . 6688 1 979 . 1 1 94 94 VAL CB C 13 31.96 0.31 . 1 . . . . 94 VAL CB . 6688 1 980 . 1 1 94 94 VAL CG1 C 13 19.39 0.31 . 4 . . . . 94 VAL CG1 . 6688 1 981 . 1 1 94 94 VAL CG2 C 13 20.33 0.31 . 4 . . . . 94 VAL CG2 . 6688 1 982 . 1 1 94 94 VAL N N 15 123 0.14 . 1 . . . . 94 VAL N . 6688 1 983 . 1 1 95 95 TYR H H 1 9.42 0.015 . 1 . . . . 95 TYR H . 6688 1 984 . 1 1 95 95 TYR HA H 1 5.58 0.015 . 1 . . . . 95 TYR HA . 6688 1 985 . 1 1 95 95 TYR HB2 H 1 3.12 0.02 . 1 . . . . 95 TYR HB2 . 6688 1 986 . 1 1 95 95 TYR HB3 H 1 2.91 0.02 . 1 . . . . 95 TYR HB3 . 6688 1 987 . 1 1 95 95 TYR HD1 H 1 7.07 0.02 . 3 . . . . 95 TYR HD1 . 6688 1 988 . 1 1 95 95 TYR HE1 H 1 6.65 0.02 . 3 . . . . 95 TYR HE1 . 6688 1 989 . 1 1 95 95 TYR C C 13 174 0.08 . 1 . . . . 95 TYR C . 6688 1 990 . 1 1 95 95 TYR CA C 13 55.92 0.31 . 1 . . . . 95 TYR CA . 6688 1 991 . 1 1 95 95 TYR CB C 13 40.32 0.31 . 1 . . . . 95 TYR CB . 6688 1 992 . 1 1 95 95 TYR CD1 C 13 134.26 0.31 . 3 . . . . 95 TYR CD1 . 6688 1 993 . 1 1 95 95 TYR CE1 C 13 118.45 0.31 . 3 . . . . 95 TYR CE1 . 6688 1 994 . 1 1 95 95 TYR N N 15 131.5 0.14 . 1 . . . . 95 TYR N . 6688 1 995 . 1 1 96 96 GLN H H 1 8.55 0.015 . 1 . . . . 96 GLN H . 6688 1 996 . 1 1 96 96 GLN HA H 1 5.05 0.015 . 1 . . . . 96 GLN HA . 6688 1 997 . 1 1 96 96 GLN HB2 H 1 1.89 0.02 . 1 . . . . 96 GLN HB2 . 6688 1 998 . 1 1 96 96 GLN HB3 H 1 1.78 0.02 . 1 . . . . 96 GLN HB3 . 6688 1 999 . 1 1 96 96 GLN HG2 H 1 2.1 0.02 . 4 . . . . 96 GLN HG2 . 6688 1 1000 . 1 1 96 96 GLN HE21 H 1 6.6 0.02 . 1 . . . . 96 GLN HE21 . 6688 1 1001 . 1 1 96 96 GLN HE22 H 1 7.1 0.02 . 1 . . . . 96 GLN HE22 . 6688 1 1002 . 1 1 96 96 GLN C C 13 173.5 0.08 . 1 . . . . 96 GLN C . 6688 1 1003 . 1 1 96 96 GLN CA C 13 54.06 0.31 . 1 . . . . 96 GLN CA . 6688 1 1004 . 1 1 96 96 GLN CB C 13 32.8 0.31 . 1 . . . . 96 GLN CB . 6688 1 1005 . 1 1 96 96 GLN CG C 13 34.39 0.31 . 1 . . . . 96 GLN CG . 6688 1 1006 . 1 1 96 96 GLN N N 15 125.2 0.14 . 1 . . . . 96 GLN N . 6688 1 1007 . 1 1 96 96 GLN NE2 N 15 108.7 0.14 . 1 . . . . 96 GLN NE2 . 6688 1 1008 . 1 1 97 97 ASN H H 1 8.93 0.015 . 1 . . . . 97 ASN H . 6688 1 1009 . 1 1 97 97 ASN HA H 1 4.77 0.02 . 1 . . . . 97 ASN HA . 6688 1 1010 . 1 1 97 97 ASN HB2 H 1 3.13 0.02 . 1 . . . . 97 ASN HB2 . 6688 1 1011 . 1 1 97 97 ASN HB3 H 1 2.6 0.02 . 1 . . . . 97 ASN HB3 . 6688 1 1012 . 1 1 97 97 ASN C C 13 174 0.08 . 1 . . . . 97 ASN C . 6688 1 1013 . 1 1 97 97 ASN CA C 13 51.56 0.31 . 1 . . . . 97 ASN CA . 6688 1 1014 . 1 1 97 97 ASN CB C 13 39.38 0.31 . 1 . . . . 97 ASN CB . 6688 1 1015 . 1 1 97 97 ASN N N 15 122.2 0.14 . 1 . . . . 97 ASN N . 6688 1 1016 . 1 1 98 98 ALA H H 1 8.49 0.015 . 1 . . . . 98 ALA H . 6688 1 1017 . 1 1 98 98 ALA HA H 1 3.61 0.015 . 1 . . . . 98 ALA HA . 6688 1 1018 . 1 1 98 98 ALA HB1 H 1 0.98 0.02 . 1 . . . . 98 ALA HB . 6688 1 1019 . 1 1 98 98 ALA HB2 H 1 0.98 0.02 . 1 . . . . 98 ALA HB . 6688 1 1020 . 1 1 98 98 ALA HB3 H 1 0.98 0.02 . 1 . . . . 98 ALA HB . 6688 1 1021 . 1 1 98 98 ALA C C 13 175.9 0.08 . 1 . . . . 98 ALA C . 6688 1 1022 . 1 1 98 98 ALA CA C 13 49.96 0.31 . 1 . . . . 98 ALA CA . 6688 1 1023 . 1 1 98 98 ALA CB C 13 18.69 0.31 . 1 . . . . 98 ALA CB . 6688 1 1024 . 1 1 98 98 ALA N N 15 126.7 0.14 . 1 . . . . 98 ALA N . 6688 1 1025 . 1 1 99 99 GLY H H 1 7.58 0.015 . 1 . . . . 99 GLY H . 6688 1 1026 . 1 1 99 99 GLY HA2 H 1 3.99 0.015 . 1 . . . . 99 GLY HA2 . 6688 1 1027 . 1 1 99 99 GLY HA3 H 1 3.65 0.015 . 1 . . . . 99 GLY HA3 . 6688 1 1028 . 1 1 99 99 GLY C C 13 174.9 0.08 . 1 . . . . 99 GLY C . 6688 1 1029 . 1 1 99 99 GLY CA C 13 45.19 0.31 . 1 . . . . 99 GLY CA . 6688 1 1030 . 1 1 99 99 GLY N N 15 108.1 0.14 . 1 . . . . 99 GLY N . 6688 1 1031 . 1 1 100 100 GLY H H 1 8.11 0.015 . 1 . . . . 100 GLY H . 6688 1 1032 . 1 1 100 100 GLY HA2 H 1 4.08 0.015 . 1 . . . . 100 GLY HA2 . 6688 1 1033 . 1 1 100 100 GLY HA3 H 1 3.95 0.015 . 1 . . . . 100 GLY HA3 . 6688 1 1034 . 1 1 100 100 GLY C C 13 174.7 0.08 . 1 . . . . 100 GLY C . 6688 1 1035 . 1 1 100 100 GLY CA C 13 44.79 0.31 . 1 . . . . 100 GLY CA . 6688 1 1036 . 1 1 100 100 GLY N N 15 108.1 0.14 . 1 . . . . 100 GLY N . 6688 1 1037 . 1 1 101 101 THR H H 1 8.36 0.015 . 1 . . . . 101 THR H . 6688 1 1038 . 1 1 101 101 THR HA H 1 4.31 0.015 . 1 . . . . 101 THR HA . 6688 1 1039 . 1 1 101 101 THR HB H 1 4 0.02 . 1 . . . . 101 THR HB . 6688 1 1040 . 1 1 101 101 THR HG21 H 1 1.17 0.02 . 1 . . . . 101 THR HG2 . 6688 1 1041 . 1 1 101 101 THR HG22 H 1 1.17 0.02 . 1 . . . . 101 THR HG2 . 6688 1 1042 . 1 1 101 101 THR HG23 H 1 1.17 0.02 . 1 . . . . 101 THR HG2 . 6688 1 1043 . 1 1 101 101 THR C C 13 174.6 0.08 . 1 . . . . 101 THR C . 6688 1 1044 . 1 1 101 101 THR CA C 13 63.13 0.31 . 1 . . . . 101 THR CA . 6688 1 1045 . 1 1 101 101 THR CB C 13 69.07 0.31 . 1 . . . . 101 THR CB . 6688 1 1046 . 1 1 101 101 THR CG2 C 13 21.58 0.31 . 1 . . . . 101 THR CG2 . 6688 1 1047 . 1 1 101 101 THR N N 15 112.4 0.14 . 1 . . . . 101 THR N . 6688 1 1048 . 1 1 102 102 HIS H H 1 7.6 0.015 . 1 . . . . 102 HIS H . 6688 1 1049 . 1 1 102 102 HIS HA H 1 5.01 0.015 . 1 . . . . 102 HIS HA . 6688 1 1050 . 1 1 102 102 HIS HB2 H 1 3.39 0.02 . 1 . . . . 102 HIS HB2 . 6688 1 1051 . 1 1 102 102 HIS HB3 H 1 3.14 0.02 . 1 . . . . 102 HIS HB3 . 6688 1 1052 . 1 1 102 102 HIS HD2 H 1 7.22 0.02 . 2 . . . . 102 HIS HD2 . 6688 1 1053 . 1 1 102 102 HIS HE1 H 1 8.4 0.02 . 2 . . . . 102 HIS HE1 . 6688 1 1054 . 1 1 102 102 HIS C C 13 172.3 0.08 . 1 . . . . 102 HIS C . 6688 1 1055 . 1 1 102 102 HIS CA C 13 53.74 0.31 . 1 . . . . 102 HIS CA . 6688 1 1056 . 1 1 102 102 HIS CB C 13 29.28 0.31 . 1 . . . . 102 HIS CB . 6688 1 1057 . 1 1 102 102 HIS CD2 C 13 121.82 0.31 . 2 . . . . 102 HIS CD2 . 6688 1 1058 . 1 1 102 102 HIS CE1 C 13 137.76 0.31 . 2 . . . . 102 HIS CE1 . 6688 1 1059 . 1 1 102 102 HIS N N 15 116.3 0.14 . 1 . . . . 102 HIS N . 6688 1 1060 . 1 1 103 103 PRO HA H 1 4.29 0.015 . 1 . . . . 103 PRO HA . 6688 1 1061 . 1 1 103 103 PRO HB2 H 1 2.34 0.02 . 1 . . . . 103 PRO HB2 . 6688 1 1062 . 1 1 103 103 PRO HB3 H 1 1.8 0.02 . 1 . . . . 103 PRO HB3 . 6688 1 1063 . 1 1 103 103 PRO C C 13 176.9 0.08 . 1 . . . . 103 PRO C . 6688 1 1064 . 1 1 103 103 PRO CA C 13 62.45 0.31 . 1 . . . . 103 PRO CA . 6688 1 1065 . 1 1 103 103 PRO CB C 13 32.81 0.31 . 1 . . . . 103 PRO CB . 6688 1 1066 . 1 1 104 104 THR H H 1 8.64 0.015 . 1 . . . . 104 THR H . 6688 1 1067 . 1 1 104 104 THR HA H 1 4.83 0.015 . 1 . . . . 104 THR HA . 6688 1 1068 . 1 1 104 104 THR HB H 1 4.09 0.02 . 1 . . . . 104 THR HB . 6688 1 1069 . 1 1 104 104 THR HG21 H 1 1.17 0.02 . 1 . . . . 104 THR HG2 . 6688 1 1070 . 1 1 104 104 THR HG22 H 1 1.17 0.02 . 1 . . . . 104 THR HG2 . 6688 1 1071 . 1 1 104 104 THR HG23 H 1 1.17 0.02 . 1 . . . . 104 THR HG2 . 6688 1 1072 . 1 1 104 104 THR C C 13 172.7 0.08 . 1 . . . . 104 THR C . 6688 1 1073 . 1 1 104 104 THR CA C 13 60.32 0.31 . 1 . . . . 104 THR CA . 6688 1 1074 . 1 1 104 104 THR CB C 13 71.56 0.31 . 1 . . . . 104 THR CB . 6688 1 1075 . 1 1 104 104 THR CG2 C 13 21.58 0.31 . 1 . . . . 104 THR CG2 . 6688 1 1076 . 1 1 104 104 THR N N 15 114 0.14 . 1 . . . . 104 THR N . 6688 1 1077 . 1 1 105 105 THR H H 1 8.2 0.015 . 1 . . . . 105 THR H . 6688 1 1078 . 1 1 105 105 THR HA H 1 5.46 0.015 . 1 . . . . 105 THR HA . 6688 1 1079 . 1 1 105 105 THR HB H 1 3.81 0.02 . 1 . . . . 105 THR HB . 6688 1 1080 . 1 1 105 105 THR HG21 H 1 0.94 0.02 . 1 . . . . 105 THR HG2 . 6688 1 1081 . 1 1 105 105 THR HG22 H 1 0.94 0.02 . 1 . . . . 105 THR HG2 . 6688 1 1082 . 1 1 105 105 THR HG23 H 1 0.94 0.02 . 1 . . . . 105 THR HG2 . 6688 1 1083 . 1 1 105 105 THR C C 13 173.2 0.08 . 1 . . . . 105 THR C . 6688 1 1084 . 1 1 105 105 THR CA C 13 61.88 0.31 . 1 . . . . 105 THR CA . 6688 1 1085 . 1 1 105 105 THR CB C 13 70.01 0.31 . 1 . . . . 105 THR CB . 6688 1 1086 . 1 1 105 105 THR CG2 C 13 21.58 0.31 . 1 . . . . 105 THR CG2 . 6688 1 1087 . 1 1 105 105 THR N N 15 119.4 0.14 . 1 . . . . 105 THR N . 6688 1 1088 . 1 1 106 106 THR H H 1 8.6 0.015 . 1 . . . . 106 THR H . 6688 1 1089 . 1 1 106 106 THR HA H 1 4.65 0.015 . 1 . . . . 106 THR HA . 6688 1 1090 . 1 1 106 106 THR HB H 1 3.97 0.02 . 1 . . . . 106 THR HB . 6688 1 1091 . 1 1 106 106 THR HG21 H 1 1.12 0.02 . 1 . . . . 106 THR HG2 . 6688 1 1092 . 1 1 106 106 THR HG22 H 1 1.12 0.02 . 1 . . . . 106 THR HG2 . 6688 1 1093 . 1 1 106 106 THR HG23 H 1 1.12 0.02 . 1 . . . . 106 THR HG2 . 6688 1 1094 . 1 1 106 106 THR C C 13 172.7 0.08 . 1 . . . . 106 THR C . 6688 1 1095 . 1 1 106 106 THR CA C 13 59.07 0.31 . 1 . . . . 106 THR CA . 6688 1 1096 . 1 1 106 106 THR CB C 13 72.94 0.31 . 1 . . . . 106 THR CB . 6688 1 1097 . 1 1 106 106 THR CG2 C 13 20.6 0.31 . 1 . . . . 106 THR CG2 . 6688 1 1098 . 1 1 106 106 THR N N 15 115.8 0.14 . 1 . . . . 106 THR N . 6688 1 1099 . 1 1 107 107 TYR H H 1 10.13 0.015 . 1 . . . . 107 TYR H . 6688 1 1100 . 1 1 107 107 TYR HA H 1 5.71 0.015 . 1 . . . . 107 TYR HA . 6688 1 1101 . 1 1 107 107 TYR HB2 H 1 2.52 0.02 . 1 . . . . 107 TYR HB2 . 6688 1 1102 . 1 1 107 107 TYR HB3 H 1 2.21 0.02 . 1 . . . . 107 TYR HB3 . 6688 1 1103 . 1 1 107 107 TYR HD1 H 1 6.94 0.02 . 3 . . . . 107 TYR HD1 . 6688 1 1104 . 1 1 107 107 TYR HE1 H 1 6.62 0.02 . 3 . . . . 107 TYR HE1 . 6688 1 1105 . 1 1 107 107 TYR C C 13 176.9 0.08 . 1 . . . . 107 TYR C . 6688 1 1106 . 1 1 107 107 TYR CA C 13 56.56 0.31 . 1 . . . . 107 TYR CA . 6688 1 1107 . 1 1 107 107 TYR CB C 13 42.2 0.31 . 1 . . . . 107 TYR CB . 6688 1 1108 . 1 1 107 107 TYR CD1 C 13 134.33 0.31 . 3 . . . . 107 TYR CD1 . 6688 1 1109 . 1 1 107 107 TYR CE1 C 13 118.43 0.31 . 3 . . . . 107 TYR CE1 . 6688 1 1110 . 1 1 107 107 TYR N N 15 120.1 0.14 . 1 . . . . 107 TYR N . 6688 1 1111 . 1 1 108 108 LYS H H 1 8.59 0.015 . 1 . . . . 108 LYS H . 6688 1 1112 . 1 1 108 108 LYS HA H 1 4.26 0.015 . 1 . . . . 108 LYS HA . 6688 1 1113 . 1 1 108 108 LYS HB2 H 1 1.41 0.02 . 1 . . . . 108 LYS HB2 . 6688 1 1114 . 1 1 108 108 LYS HB3 H 1 1.32 0.02 . 1 . . . . 108 LYS HB3 . 6688 1 1115 . 1 1 108 108 LYS HG2 H 1 1.5 0.02 . 4 . . . . 108 LYS HG2 . 6688 1 1116 . 1 1 108 108 LYS HD2 H 1 2.29 0.02 . 1 . . . . 108 LYS HD2 . 6688 1 1117 . 1 1 108 108 LYS HD3 H 1 2.19 0.02 . 1 . . . . 108 LYS HD3 . 6688 1 1118 . 1 1 108 108 LYS HE2 H 1 2.85 0.02 . 4 . . . . 108 LYS HE2 . 6688 1 1119 . 1 1 108 108 LYS C C 13 173 0.08 . 1 . . . . 108 LYS C . 6688 1 1120 . 1 1 108 108 LYS CA C 13 54.08 0.31 . 1 . . . . 108 LYS CA . 6688 1 1121 . 1 1 108 108 LYS CB C 13 35.24 0.31 . 1 . . . . 108 LYS CB . 6688 1 1122 . 1 1 108 108 LYS CG C 13 26.89 0.31 . 1 . . . . 108 LYS CG . 6688 1 1123 . 1 1 108 108 LYS CD C 13 29.08 0.31 . 1 . . . . 108 LYS CD . 6688 1 1124 . 1 1 108 108 LYS CE C 13 41.58 0.31 . 1 . . . . 108 LYS CE . 6688 1 1125 . 1 1 108 108 LYS N N 15 121.4 0.14 . 1 . . . . 108 LYS N . 6688 1 1126 . 1 1 109 109 ALA H H 1 8.11 0.015 . 1 . . . . 109 ALA H . 6688 1 1127 . 1 1 109 109 ALA HA H 1 5.17 0.015 . 1 . . . . 109 ALA HA . 6688 1 1128 . 1 1 109 109 ALA HB1 H 1 1.07 0.02 . 1 . . . . 109 ALA HB . 6688 1 1129 . 1 1 109 109 ALA HB2 H 1 1.07 0.02 . 1 . . . . 109 ALA HB . 6688 1 1130 . 1 1 109 109 ALA HB3 H 1 1.07 0.02 . 1 . . . . 109 ALA HB . 6688 1 1131 . 1 1 109 109 ALA C C 13 175 0.08 . 1 . . . . 109 ALA C . 6688 1 1132 . 1 1 109 109 ALA CA C 13 49.73 0.31 . 1 . . . . 109 ALA CA . 6688 1 1133 . 1 1 109 109 ALA CB C 13 24.67 0.31 . 1 . . . . 109 ALA CB . 6688 1 1134 . 1 1 109 109 ALA N N 15 129.7 0.14 . 1 . . . . 109 ALA N . 6688 1 1135 . 1 1 110 110 PHE H H 1 8.58 0.015 . 1 . . . . 110 PHE H . 6688 1 1136 . 1 1 110 110 PHE HA H 1 4.63 0.015 . 1 . . . . 110 PHE HA . 6688 1 1137 . 1 1 110 110 PHE HB2 H 1 2.43 0.02 . 1 . . . . 110 PHE HB2 . 6688 1 1138 . 1 1 110 110 PHE HD1 H 1 5.94 0.02 . 3 . . . . 110 PHE HD1 . 6688 1 1139 . 1 1 110 110 PHE HE1 H 1 6.58 0.02 . 3 . . . . 110 PHE HE1 . 6688 1 1140 . 1 1 110 110 PHE HZ H 1 6.94 0.015 . 1 . . . . 110 PHE HZ . 6688 1 1141 . 1 1 110 110 PHE C C 13 174.3 0.08 . 1 . . . . 110 PHE C . 6688 1 1142 . 1 1 110 110 PHE CA C 13 57.24 0.31 . 1 . . . . 110 PHE CA . 6688 1 1143 . 1 1 110 110 PHE CB C 13 41.33 0.31 . 1 . . . . 110 PHE CB . 6688 1 1144 . 1 1 110 110 PHE CD1 C 13 131.82 0.31 . 3 . . . . 110 PHE CD1 . 6688 1 1145 . 1 1 110 110 PHE CE1 C 13 131.82 0.31 . 3 . . . . 110 PHE CE1 . 6688 1 1146 . 1 1 110 110 PHE CZ C 13 134.32 0.31 . 1 . . . . 110 PHE CZ . 6688 1 1147 . 1 1 110 110 PHE N N 15 119.2 0.14 . 1 . . . . 110 PHE N . 6688 1 1148 . 1 1 111 111 ASP H H 1 8.86 0.015 . 1 . . . . 111 ASP H . 6688 1 1149 . 1 1 111 111 ASP HA H 1 5.82 0.015 . 1 . . . . 111 ASP HA . 6688 1 1150 . 1 1 111 111 ASP HB2 H 1 3.16 0.02 . 1 . . . . 111 ASP HB2 . 6688 1 1151 . 1 1 111 111 ASP HB3 H 1 2.4 0.02 . 1 . . . . 111 ASP HB3 . 6688 1 1152 . 1 1 111 111 ASP C C 13 175.1 0.08 . 1 . . . . 111 ASP C . 6688 1 1153 . 1 1 111 111 ASP CA C 13 52.51 0.31 . 1 . . . . 111 ASP CA . 6688 1 1154 . 1 1 111 111 ASP CB C 13 43.84 0.31 . 1 . . . . 111 ASP CB . 6688 1 1155 . 1 1 111 111 ASP N N 15 117.8 0.14 . 1 . . . . 111 ASP N . 6688 1 1156 . 1 1 112 112 TRP H H 1 9.87 0.015 . 1 . . . . 112 TRP H . 6688 1 1157 . 1 1 112 112 TRP HA H 1 5.03 0.015 . 1 . . . . 112 TRP HA . 6688 1 1158 . 1 1 112 112 TRP HB2 H 1 3.3 0.02 . 1 . . . . 112 TRP HB2 . 6688 1 1159 . 1 1 112 112 TRP HB3 H 1 3.08 0.02 . 1 . . . . 112 TRP HB3 . 6688 1 1160 . 1 1 112 112 TRP HD1 H 1 6.74 0.02 . 1 . . . . 112 TRP HD1 . 6688 1 1161 . 1 1 112 112 TRP HE1 H 1 7.29 0.02 . 1 . . . . 112 TRP HE1 . 6688 1 1162 . 1 1 112 112 TRP HE3 H 1 7.12 0.02 . 1 . . . . 112 TRP HE3 . 6688 1 1163 . 1 1 112 112 TRP HZ2 H 1 6.88 0.02 . 1 . . . . 112 TRP HZ2 . 6688 1 1164 . 1 1 112 112 TRP HZ3 H 1 6.71 0.02 . 1 . . . . 112 TRP HZ3 . 6688 1 1165 . 1 1 112 112 TRP C C 13 173.4 0.08 . 1 . . . . 112 TRP C . 6688 1 1166 . 1 1 112 112 TRP CA C 13 56.87 0.31 . 1 . . . . 112 TRP CA . 6688 1 1167 . 1 1 112 112 TRP CB C 13 33.12 0.31 . 1 . . . . 112 TRP CB . 6688 1 1168 . 1 1 112 112 TRP CD1 C 13 126.82 0.31 . 1 . . . . 112 TRP CD1 . 6688 1 1169 . 1 1 112 112 TRP CE3 C 13 120.88 0.31 . 1 . . . . 112 TRP CE3 . 6688 1 1170 . 1 1 112 112 TRP CZ2 C 13 114.01 0.31 . 1 . . . . 112 TRP CZ2 . 6688 1 1171 . 1 1 112 112 TRP CZ3 C 13 120.88 0.31 . 1 . . . . 112 TRP CZ3 . 6688 1 1172 . 1 1 112 112 TRP CH2 C 13 118.7 0.31 . 1 . . . . 112 TRP CH2 . 6688 1 1173 . 1 1 112 112 TRP N N 15 124.9 0.14 . 1 . . . . 112 TRP N . 6688 1 1174 . 1 1 113 113 ASP H H 1 8.45 0.015 . 1 . . . . 113 ASP H . 6688 1 1175 . 1 1 113 113 ASP HA H 1 4.61 0.015 . 1 . . . . 113 ASP HA . 6688 1 1176 . 1 1 113 113 ASP HB2 H 1 2.73 0.02 . 1 . . . . 113 ASP HB2 . 6688 1 1177 . 1 1 113 113 ASP HB3 H 1 2.24 0.02 . 1 . . . . 113 ASP HB3 . 6688 1 1178 . 1 1 113 113 ASP C C 13 176.3 0.08 . 1 . . . . 113 ASP C . 6688 1 1179 . 1 1 113 113 ASP CA C 13 53.44 0.31 . 1 . . . . 113 ASP CA . 6688 1 1180 . 1 1 113 113 ASP CB C 13 42.52 0.31 . 1 . . . . 113 ASP CB . 6688 1 1181 . 1 1 113 113 ASP N N 15 127.6 0.14 . 1 . . . . 113 ASP N . 6688 1 1182 . 1 1 114 114 GLN H H 1 8.57 0.015 . 1 . . . . 114 GLN H . 6688 1 1183 . 1 1 114 114 GLN HA H 1 4.18 0.015 . 1 . . . . 114 GLN HA . 6688 1 1184 . 1 1 114 114 GLN HB2 H 1 2.1 0.02 . 1 . . . . 114 GLN HB2 . 6688 1 1185 . 1 1 114 114 GLN HB3 H 1 1.98 0.02 . 1 . . . . 114 GLN HB3 . 6688 1 1186 . 1 1 114 114 GLN HG2 H 1 2.43 0.02 . 4 . . . . 114 GLN HG2 . 6688 1 1187 . 1 1 114 114 GLN HE21 H 1 6.83 0.02 . 1 . . . . 114 GLN HE21 . 6688 1 1188 . 1 1 114 114 GLN HE22 H 1 7.56 0.02 . 1 . . . . 114 GLN HE22 . 6688 1 1189 . 1 1 114 114 GLN C C 13 177.2 0.08 . 1 . . . . 114 GLN C . 6688 1 1190 . 1 1 114 114 GLN CA C 13 57.84 0.31 . 1 . . . . 114 GLN CA . 6688 1 1191 . 1 1 114 114 GLN CB C 13 29.66 0.31 . 1 . . . . 114 GLN CB . 6688 1 1192 . 1 1 114 114 GLN CG C 13 34.08 0.31 . 1 . . . . 114 GLN CG . 6688 1 1193 . 1 1 114 114 GLN N N 15 122.8 0.14 . 1 . . . . 114 GLN N . 6688 1 1194 . 1 1 114 114 GLN NE2 N 15 110.9 0.14 . 1 . . . . 114 GLN NE2 . 6688 1 1195 . 1 1 115 115 ALA H H 1 8.37 0.015 . 1 . . . . 115 ALA H . 6688 1 1196 . 1 1 115 115 ALA HA H 1 4.27 0.015 . 1 . . . . 115 ALA HA . 6688 1 1197 . 1 1 115 115 ALA HB1 H 1 1.28 0.02 . 1 . . . . 115 ALA HB . 6688 1 1198 . 1 1 115 115 ALA HB2 H 1 1.28 0.02 . 1 . . . . 115 ALA HB . 6688 1 1199 . 1 1 115 115 ALA HB3 H 1 1.28 0.02 . 1 . . . . 115 ALA HB . 6688 1 1200 . 1 1 115 115 ALA C C 13 179.5 0.08 . 1 . . . . 115 ALA C . 6688 1 1201 . 1 1 115 115 ALA CA C 13 54.04 0.31 . 1 . . . . 115 ALA CA . 6688 1 1202 . 1 1 115 115 ALA CB C 13 18.72 0.31 . 1 . . . . 115 ALA CB . 6688 1 1203 . 1 1 115 115 ALA N N 15 121.5 0.14 . 1 . . . . 115 ALA N . 6688 1 1204 . 1 1 116 116 TYR H H 1 8.25 0.015 . 1 . . . . 116 TYR H . 6688 1 1205 . 1 1 116 116 TYR HA H 1 4.45 0.015 . 1 . . . . 116 TYR HA . 6688 1 1206 . 1 1 116 116 TYR HB2 H 1 3.02 0.02 . 1 . . . . 116 TYR HB2 . 6688 1 1207 . 1 1 116 116 TYR HB3 H 1 2.27 0.02 . 1 . . . . 116 TYR HB3 . 6688 1 1208 . 1 1 116 116 TYR HD1 H 1 7.1 0.02 . 3 . . . . 116 TYR HD1 . 6688 1 1209 . 1 1 116 116 TYR HE1 H 1 6.75 0.02 . 3 . . . . 116 TYR HE1 . 6688 1 1210 . 1 1 116 116 TYR C C 13 175.1 0.08 . 1 . . . . 116 TYR C . 6688 1 1211 . 1 1 116 116 TYR CA C 13 56.49 0.31 . 1 . . . . 116 TYR CA . 6688 1 1212 . 1 1 116 116 TYR CB C 13 38.14 0.31 . 1 . . . . 116 TYR CB . 6688 1 1213 . 1 1 116 116 TYR CD1 C 13 132.8 0.31 . 3 . . . . 116 TYR CD1 . 6688 1 1214 . 1 1 116 116 TYR CE1 C 13 118.69 0.31 . 3 . . . . 116 TYR CE1 . 6688 1 1215 . 1 1 116 116 TYR N N 15 115.4 0.14 . 1 . . . . 116 TYR N . 6688 1 1216 . 1 1 117 117 ARG H H 1 7.72 0.015 . 1 . . . . 117 ARG H . 6688 1 1217 . 1 1 117 117 ARG HA H 1 3.36 0.015 . 1 . . . . 117 ARG HA . 6688 1 1218 . 1 1 117 117 ARG HB2 H 1 2.12 0.02 . 1 . . . . 117 ARG HB2 . 6688 1 1219 . 1 1 117 117 ARG HB3 H 1 1.9 0.02 . 1 . . . . 117 ARG HB3 . 6688 1 1220 . 1 1 117 117 ARG HG2 H 1 1.7 0.02 . 1 . . . . 117 ARG HG2 . 6688 1 1221 . 1 1 117 117 ARG HG3 H 1 1.55 0.02 . 1 . . . . 117 ARG HG3 . 6688 1 1222 . 1 1 117 117 ARG HD2 H 1 3.34 0.02 . 1 . . . . 117 ARG HD2 . 6688 1 1223 . 1 1 117 117 ARG HD3 H 1 3.09 0.02 . 1 . . . . 117 ARG HD3 . 6688 1 1224 . 1 1 117 117 ARG C C 13 173.7 0.08 . 1 . . . . 117 ARG C . 6688 1 1225 . 1 1 117 117 ARG CA C 13 56.56 0.31 . 1 . . . . 117 ARG CA . 6688 1 1226 . 1 1 117 117 ARG CB C 13 26.24 0.31 . 1 . . . . 117 ARG CB . 6688 1 1227 . 1 1 117 117 ARG CG C 13 27.52 0.31 . 1 . . . . 117 ARG CG . 6688 1 1228 . 1 1 117 117 ARG CD C 13 43.45 0.31 . 1 . . . . 117 ARG CD . 6688 1 1229 . 1 1 117 117 ARG N N 15 117.8 0.14 . 1 . . . . 117 ARG N . 6688 1 1230 . 1 1 118 118 LYS H H 1 6.24 0.015 . 1 . . . . 118 LYS H . 6688 1 1231 . 1 1 118 118 LYS HA H 1 4.26 0.015 . 1 . . . . 118 LYS HA . 6688 1 1232 . 1 1 118 118 LYS HB2 H 1 1.95 0.02 . 1 . . . . 118 LYS HB2 . 6688 1 1233 . 1 1 118 118 LYS HB3 H 1 1.67 0.02 . 1 . . . . 118 LYS HB3 . 6688 1 1234 . 1 1 118 118 LYS HG2 H 1 1.31 0.02 . 4 . . . . 118 LYS HG2 . 6688 1 1235 . 1 1 118 118 LYS HD2 H 1 2.24 0.02 . 1 . . . . 118 LYS HD2 . 6688 1 1236 . 1 1 118 118 LYS HD3 H 1 2.08 0.02 . 1 . . . . 118 LYS HD3 . 6688 1 1237 . 1 1 118 118 LYS HE2 H 1 2.84 0.02 . 1 . . . . 118 LYS HE2 . 6688 1 1238 . 1 1 118 118 LYS C C 13 171.5 0.08 . 1 . . . . 118 LYS C . 6688 1 1239 . 1 1 118 118 LYS CA C 13 52.82 0.31 . 1 . . . . 118 LYS CA . 6688 1 1240 . 1 1 118 118 LYS CB C 13 33.46 0.31 . 1 . . . . 118 LYS CB . 6688 1 1241 . 1 1 118 118 LYS CG C 13 26.68 0.31 . 1 . . . . 118 LYS CG . 6688 1 1242 . 1 1 118 118 LYS CD C 13 29.18 0.31 . 1 . . . . 118 LYS CD . 6688 1 1243 . 1 1 118 118 LYS CE C 13 41.58 0.31 . 1 . . . . 118 LYS CE . 6688 1 1244 . 1 1 118 118 LYS N N 15 114.3 0.14 . 1 . . . . 118 LYS N . 6688 1 1245 . 1 1 119 119 PRO HA H 1 5.17 0.015 . 1 . . . . 119 PRO HA . 6688 1 1246 . 1 1 119 119 PRO HB2 H 1 2.84 0.02 . 1 . . . . 119 PRO HB2 . 6688 1 1247 . 1 1 119 119 PRO HB3 H 1 1.95 0.02 . 1 . . . . 119 PRO HB3 . 6688 1 1248 . 1 1 119 119 PRO HG2 H 1 2.29 0.02 . 1 . . . . 119 PRO HG2 . 6688 1 1249 . 1 1 119 119 PRO HG3 H 1 2.39 0.02 . 1 . . . . 119 PRO HG3 . 6688 1 1250 . 1 1 119 119 PRO HD2 H 1 3.96 0.02 . 1 . . . . 119 PRO HD2 . 6688 1 1251 . 1 1 119 119 PRO HD3 H 1 3.65 0.02 . 1 . . . . 119 PRO HD3 . 6688 1 1252 . 1 1 119 119 PRO C C 13 176.9 0.08 . 1 . . . . 119 PRO C . 6688 1 1253 . 1 1 119 119 PRO CA C 13 62.37 0.31 . 1 . . . . 119 PRO CA . 6688 1 1254 . 1 1 119 119 PRO CB C 13 32.8 0.31 . 1 . . . . 119 PRO CB . 6688 1 1255 . 1 1 119 119 PRO CG C 13 27.84 0.31 . 1 . . . . 119 PRO CG . 6688 1 1256 . 1 1 119 119 PRO CD C 13 51.06 0.31 . 1 . . . . 119 PRO CD . 6688 1 1257 . 1 1 120 120 ILE H H 1 8.25 0.015 . 1 . . . . 120 ILE H . 6688 1 1258 . 1 1 120 120 ILE HA H 1 4.13 0.015 . 1 . . . . 120 ILE HA . 6688 1 1259 . 1 1 120 120 ILE HB H 1 1.46 0.02 . 1 . . . . 120 ILE HB . 6688 1 1260 . 1 1 120 120 ILE HG12 H 1 1.49 0.02 . 1 . . . . 120 ILE HG12 . 6688 1 1261 . 1 1 120 120 ILE HG13 H 1 1.19 0.02 . 1 . . . . 120 ILE HG13 . 6688 1 1262 . 1 1 120 120 ILE HG21 H 1 0.95 0.02 . 1 . . . . 120 ILE HG2 . 6688 1 1263 . 1 1 120 120 ILE HG22 H 1 0.95 0.02 . 1 . . . . 120 ILE HG2 . 6688 1 1264 . 1 1 120 120 ILE HG23 H 1 0.95 0.02 . 1 . . . . 120 ILE HG2 . 6688 1 1265 . 1 1 120 120 ILE HD11 H 1 0.87 0.02 . 1 . . . . 120 ILE HD1 . 6688 1 1266 . 1 1 120 120 ILE HD12 H 1 0.87 0.02 . 1 . . . . 120 ILE HD1 . 6688 1 1267 . 1 1 120 120 ILE HD13 H 1 0.87 0.02 . 1 . . . . 120 ILE HD1 . 6688 1 1268 . 1 1 120 120 ILE C C 13 175.2 0.08 . 1 . . . . 120 ILE C . 6688 1 1269 . 1 1 120 120 ILE CA C 13 61.13 0.31 . 1 . . . . 120 ILE CA . 6688 1 1270 . 1 1 120 120 ILE CB C 13 40.01 0.31 . 1 . . . . 120 ILE CB . 6688 1 1271 . 1 1 120 120 ILE CG1 C 13 26.89 0.31 . 1 . . . . 120 ILE CG1 . 6688 1 1272 . 1 1 120 120 ILE CG2 C 13 17.2 0.31 . 1 . . . . 120 ILE CG2 . 6688 1 1273 . 1 1 120 120 ILE CD1 C 13 13.14 0.31 . 1 . . . . 120 ILE CD1 . 6688 1 1274 . 1 1 120 120 ILE N N 15 123.1 0.14 . 1 . . . . 120 ILE N . 6688 1 1275 . 1 1 121 121 THR H H 1 8.03 0.015 . 1 . . . . 121 THR H . 6688 1 1276 . 1 1 121 121 THR HA H 1 5 0.015 . 1 . . . . 121 THR HA . 6688 1 1277 . 1 1 121 121 THR HB H 1 4.01 0.02 . 1 . . . . 121 THR HB . 6688 1 1278 . 1 1 121 121 THR HG21 H 1 1.31 0.02 . 1 . . . . 121 THR HG2 . 6688 1 1279 . 1 1 121 121 THR HG22 H 1 1.31 0.02 . 1 . . . . 121 THR HG2 . 6688 1 1280 . 1 1 121 121 THR HG23 H 1 1.31 0.02 . 1 . . . . 121 THR HG2 . 6688 1 1281 . 1 1 121 121 THR C C 13 175.5 0.08 . 1 . . . . 121 THR C . 6688 1 1282 . 1 1 121 121 THR CA C 13 59.38 0.31 . 1 . . . . 121 THR CA . 6688 1 1283 . 1 1 121 121 THR CB C 13 71.62 0.31 . 1 . . . . 121 THR CB . 6688 1 1284 . 1 1 121 121 THR CG2 C 13 21.89 0.31 . 1 . . . . 121 THR CG2 . 6688 1 1285 . 1 1 121 121 THR N N 15 117.4 0.14 . 1 . . . . 121 THR N . 6688 1 1286 . 1 1 122 122 TYR H H 1 9.85 0.015 . 1 . . . . 122 TYR H . 6688 1 1287 . 1 1 122 122 TYR HA H 1 5.03 0.015 . 1 . . . . 122 TYR HA . 6688 1 1288 . 1 1 122 122 TYR HB2 H 1 3.78 0.02 . 1 . . . . 122 TYR HB2 . 6688 1 1289 . 1 1 122 122 TYR HB3 H 1 2.41 0.02 . 1 . . . . 122 TYR HB3 . 6688 1 1290 . 1 1 122 122 TYR HD1 H 1 6.88 0.02 . 3 . . . . 122 TYR HD1 . 6688 1 1291 . 1 1 122 122 TYR HE1 H 1 6.52 0.02 . 3 . . . . 122 TYR HE1 . 6688 1 1292 . 1 1 122 122 TYR C C 13 176.2 0.08 . 1 . . . . 122 TYR C . 6688 1 1293 . 1 1 122 122 TYR CA C 13 63.44 0.31 . 1 . . . . 122 TYR CA . 6688 1 1294 . 1 1 122 122 TYR CB C 13 39.37 0.31 . 1 . . . . 122 TYR CB . 6688 1 1295 . 1 1 122 122 TYR CD1 C 13 134.01 0.31 . 3 . . . . 122 TYR CD1 . 6688 1 1296 . 1 1 122 122 TYR CE1 C 13 118.07 0.31 . 3 . . . . 122 TYR CE1 . 6688 1 1297 . 1 1 122 122 TYR N N 15 123.6 0.14 . 1 . . . . 122 TYR N . 6688 1 1298 . 1 1 123 123 ASP H H 1 8.21 0.015 . 1 . . . . 123 ASP H . 6688 1 1299 . 1 1 123 123 ASP HA H 1 4.61 0.015 . 1 . . . . 123 ASP HA . 6688 1 1300 . 1 1 123 123 ASP HB2 H 1 2.87 0.02 . 1 . . . . 123 ASP HB2 . 6688 1 1301 . 1 1 123 123 ASP HB3 H 1 2.66 0.02 . 1 . . . . 123 ASP HB3 . 6688 1 1302 . 1 1 123 123 ASP C C 13 177.6 0.08 . 1 . . . . 123 ASP C . 6688 1 1303 . 1 1 123 123 ASP CA C 13 56.52 0.31 . 1 . . . . 123 ASP CA . 6688 1 1304 . 1 1 123 123 ASP CB C 13 41.14 0.31 . 1 . . . . 123 ASP CB . 6688 1 1305 . 1 1 123 123 ASP N N 15 111 0.14 . 1 . . . . 123 ASP N . 6688 1 1306 . 1 1 124 124 THR H H 1 7.7 0.015 . 1 . . . . 124 THR H . 6688 1 1307 . 1 1 124 124 THR HA H 1 4.62 0.015 . 1 . . . . 124 THR HA . 6688 1 1308 . 1 1 124 124 THR HB H 1 4.55 0.02 . 1 . . . . 124 THR HB . 6688 1 1309 . 1 1 124 124 THR HG21 H 1 1.15 0.02 . 1 . . . . 124 THR HG2 . 6688 1 1310 . 1 1 124 124 THR HG22 H 1 1.15 0.02 . 1 . . . . 124 THR HG2 . 6688 1 1311 . 1 1 124 124 THR HG23 H 1 1.15 0.02 . 1 . . . . 124 THR HG2 . 6688 1 1312 . 1 1 124 124 THR C C 13 175.4 0.08 . 1 . . . . 124 THR C . 6688 1 1313 . 1 1 124 124 THR CA C 13 60.64 0.31 . 1 . . . . 124 THR CA . 6688 1 1314 . 1 1 124 124 THR CB C 13 69.05 0.31 . 1 . . . . 124 THR CB . 6688 1 1315 . 1 1 124 124 THR CG2 C 13 22.2 0.31 . 1 . . . . 124 THR CG2 . 6688 1 1316 . 1 1 124 124 THR N N 15 108.1 0.14 . 1 . . . . 124 THR N . 6688 1 1317 . 1 1 125 125 LEU H H 1 7.56 0.015 . 1 . . . . 125 LEU H . 6688 1 1318 . 1 1 125 125 LEU HA H 1 3.56 0.015 . 1 . . . . 125 LEU HA . 6688 1 1319 . 1 1 125 125 LEU HB2 H 1 0.63 0.02 . 1 . . . . 125 LEU HB2 . 6688 1 1320 . 1 1 125 125 LEU HB3 H 1 0.38 0.02 . 1 . . . . 125 LEU HB3 . 6688 1 1321 . 1 1 125 125 LEU HG H 1 -0.14 0.02 . 1 . . . . 125 LEU HG . 6688 1 1322 . 1 1 125 125 LEU HD11 H 1 -0.79 0.02 . 2 . . . . 125 LEU HD1 . 6688 1 1323 . 1 1 125 125 LEU HD12 H 1 -0.79 0.02 . 2 . . . . 125 LEU HD1 . 6688 1 1324 . 1 1 125 125 LEU HD13 H 1 -0.79 0.02 . 2 . . . . 125 LEU HD1 . 6688 1 1325 . 1 1 125 125 LEU HD21 H 1 -0.04 0.02 . 2 . . . . 125 LEU HD2 . 6688 1 1326 . 1 1 125 125 LEU HD22 H 1 -0.04 0.02 . 2 . . . . 125 LEU HD2 . 6688 1 1327 . 1 1 125 125 LEU HD23 H 1 -0.04 0.02 . 2 . . . . 125 LEU HD2 . 6688 1 1328 . 1 1 125 125 LEU C C 13 176.5 0.08 . 1 . . . . 125 LEU C . 6688 1 1329 . 1 1 125 125 LEU CA C 13 56.71 0.31 . 1 . . . . 125 LEU CA . 6688 1 1330 . 1 1 125 125 LEU CB C 13 42.52 0.31 . 1 . . . . 125 LEU CB . 6688 1 1331 . 1 1 125 125 LEU CG C 13 25.3 0.31 . 1 . . . . 125 LEU CG . 6688 1 1332 . 1 1 125 125 LEU CD1 C 13 22.83 0.31 . 1 . . . . 125 LEU CD1 . 6688 1 1333 . 1 1 125 125 LEU CD2 C 13 22.83 0.31 . 1 . . . . 125 LEU CD2 . 6688 1 1334 . 1 1 125 125 LEU N N 15 125.2 0.14 . 1 . . . . 125 LEU N . 6688 1 1335 . 1 1 126 126 TRP H H 1 6.45 0.015 . 1 . . . . 126 TRP H . 6688 1 1336 . 1 1 126 126 TRP HA H 1 5.17 0.015 . 1 . . . . 126 TRP HA . 6688 1 1337 . 1 1 126 126 TRP HB2 H 1 3.38 0.02 . 1 . . . . 126 TRP HB2 . 6688 1 1338 . 1 1 126 126 TRP HB3 H 1 2.83 0.02 . 1 . . . . 126 TRP HB3 . 6688 1 1339 . 1 1 126 126 TRP HD1 H 1 6.58 0.02 . 1 . . . . 126 TRP HD1 . 6688 1 1340 . 1 1 126 126 TRP HE3 H 1 7.4 0.02 . 1 . . . . 126 TRP HE3 . 6688 1 1341 . 1 1 126 126 TRP HZ2 H 1 7.04 0.02 . 1 . . . . 126 TRP HZ2 . 6688 1 1342 . 1 1 126 126 TRP HZ3 H 1 6.85 0.02 . 1 . . . . 126 TRP HZ3 . 6688 1 1343 . 1 1 126 126 TRP HH2 H 1 6.53 0.02 . 1 . . . . 126 TRP HH2 . 6688 1 1344 . 1 1 126 126 TRP C C 13 177 0.08 . 1 . . . . 126 TRP C . 6688 1 1345 . 1 1 126 126 TRP CA C 13 53.07 0.31 . 1 . . . . 126 TRP CA . 6688 1 1346 . 1 1 126 126 TRP CB C 13 31.57 0.31 . 1 . . . . 126 TRP CB . 6688 1 1347 . 1 1 126 126 TRP CD2 C 13 130.26 0.31 . 1 . . . . 126 TRP CD2 . 6688 1 1348 . 1 1 126 126 TRP CE3 C 13 121.82 0.31 . 1 . . . . 126 TRP CE3 . 6688 1 1349 . 1 1 126 126 TRP CZ2 C 13 113.38 0.31 . 1 . . . . 126 TRP CZ2 . 6688 1 1350 . 1 1 126 126 TRP CZ3 C 13 121.2 0.31 . 1 . . . . 126 TRP CZ3 . 6688 1 1351 . 1 1 126 126 TRP CH2 C 13 118.38 0.31 . 1 . . . . 126 TRP CH2 . 6688 1 1352 . 1 1 126 126 TRP N N 15 115.3 0.14 . 1 . . . . 126 TRP N . 6688 1 1353 . 1 1 127 127 GLN H H 1 8.72 0.015 . 1 . . . . 127 GLN H . 6688 1 1354 . 1 1 127 127 GLN HA H 1 4.08 0.015 . 1 . . . . 127 GLN HA . 6688 1 1355 . 1 1 127 127 GLN HB2 H 1 2.21 0.02 . 1 . . . . 127 GLN HB2 . 6688 1 1356 . 1 1 127 127 GLN HB3 H 1 1.79 0.02 . 1 . . . . 127 GLN HB3 . 6688 1 1357 . 1 1 127 127 GLN HG2 H 1 2.37 0.02 . 1 . . . . 127 GLN HG2 . 6688 1 1358 . 1 1 127 127 GLN HG3 H 1 2.21 0.02 . 1 . . . . 127 GLN HG3 . 6688 1 1359 . 1 1 127 127 GLN HE21 H 1 6.6 0.02 . 1 . . . . 127 GLN HE21 . 6688 1 1360 . 1 1 127 127 GLN HE22 H 1 7.25 0.02 . 1 . . . . 127 GLN HE22 . 6688 1 1361 . 1 1 127 127 GLN C C 13 176.4 0.08 . 1 . . . . 127 GLN C . 6688 1 1362 . 1 1 127 127 GLN CA C 13 56.27 0.31 . 1 . . . . 127 GLN CA . 6688 1 1363 . 1 1 127 127 GLN CB C 13 29.39 0.31 . 1 . . . . 127 GLN CB . 6688 1 1364 . 1 1 127 127 GLN CG C 13 33.76 0.31 . 1 . . . . 127 GLN CG . 6688 1 1365 . 1 1 127 127 GLN N N 15 120.9 0.14 . 1 . . . . 127 GLN N . 6688 1 1366 . 1 1 127 127 GLN NE2 N 15 111.2 0.14 . 1 . . . . 127 GLN NE2 . 6688 1 1367 . 1 1 128 128 ALA H H 1 8.6 0.015 . 1 . . . . 128 ALA H . 6688 1 1368 . 1 1 128 128 ALA HA H 1 4.21 0.015 . 1 . . . . 128 ALA HA . 6688 1 1369 . 1 1 128 128 ALA HB1 H 1 1.4 0.02 . 1 . . . . 128 ALA HB . 6688 1 1370 . 1 1 128 128 ALA HB2 H 1 1.4 0.02 . 1 . . . . 128 ALA HB . 6688 1 1371 . 1 1 128 128 ALA HB3 H 1 1.4 0.02 . 1 . . . . 128 ALA HB . 6688 1 1372 . 1 1 128 128 ALA C C 13 177.8 0.08 . 1 . . . . 128 ALA C . 6688 1 1373 . 1 1 128 128 ALA CA C 13 53.45 0.31 . 1 . . . . 128 ALA CA . 6688 1 1374 . 1 1 128 128 ALA CB C 13 18.76 0.31 . 1 . . . . 128 ALA CB . 6688 1 1375 . 1 1 128 128 ALA N N 15 125.7 0.14 . 1 . . . . 128 ALA N . 6688 1 1376 . 1 1 129 129 ASP H H 1 8.78 0.015 . 1 . . . . 129 ASP H . 6688 1 1377 . 1 1 129 129 ASP HA H 1 4.39 0.015 . 1 . . . . 129 ASP HA . 6688 1 1378 . 1 1 129 129 ASP HB2 H 1 2.82 0.02 . 4 . . . . 129 ASP HB2 . 6688 1 1379 . 1 1 129 129 ASP C C 13 175.6 0.08 . 1 . . . . 129 ASP C . 6688 1 1380 . 1 1 129 129 ASP CA C 13 55.3 0.31 . 1 . . . . 129 ASP CA . 6688 1 1381 . 1 1 129 129 ASP CB C 13 39.35 0.31 . 1 . . . . 129 ASP CB . 6688 1 1382 . 1 1 129 129 ASP N N 15 115.4 0.14 . 1 . . . . 129 ASP N . 6688 1 1383 . 1 1 130 130 THR H H 1 7.39 0.015 . 1 . . . . 130 THR H . 6688 1 1384 . 1 1 130 130 THR HA H 1 4.34 0.015 . 1 . . . . 130 THR HA . 6688 1 1385 . 1 1 130 130 THR HB H 1 3.9 0.02 . 1 . . . . 130 THR HB . 6688 1 1386 . 1 1 130 130 THR HG21 H 1 1.18 0.015 . 1 . . . . 130 THR HG2 . 6688 1 1387 . 1 1 130 130 THR HG22 H 1 1.18 0.015 . 1 . . . . 130 THR HG2 . 6688 1 1388 . 1 1 130 130 THR HG23 H 1 1.18 0.015 . 1 . . . . 130 THR HG2 . 6688 1 1389 . 1 1 130 130 THR C C 13 173.6 0.08 . 1 . . . . 130 THR C . 6688 1 1390 . 1 1 130 130 THR CA C 13 60.86 0.31 . 1 . . . . 130 THR CA . 6688 1 1391 . 1 1 130 130 THR CB C 13 72.11 0.31 . 1 . . . . 130 THR CB . 6688 1 1392 . 1 1 130 130 THR CG2 C 13 22.2 0.31 . 1 . . . . 130 THR CG2 . 6688 1 1393 . 1 1 130 130 THR N N 15 108.5 0.14 . 1 . . . . 130 THR N . 6688 1 1394 . 1 1 131 131 ASP H H 1 8.3 0.015 . 1 . . . . 131 ASP H . 6688 1 1395 . 1 1 131 131 ASP HA H 1 4.98 0.02 . 1 . . . . 131 ASP HA . 6688 1 1396 . 1 1 131 131 ASP HB2 H 1 2.33 0.02 . 1 . . . . 131 ASP HB2 . 6688 1 1397 . 1 1 131 131 ASP HB3 H 1 2.77 0.02 . 1 . . . . 131 ASP HB3 . 6688 1 1398 . 1 1 131 131 ASP C C 13 176.4 0.08 . 1 . . . . 131 ASP C . 6688 1 1399 . 1 1 131 131 ASP CA C 13 50.33 0.31 . 1 . . . . 131 ASP CA . 6688 1 1400 . 1 1 131 131 ASP CB C 13 41 0.31 . 1 . . . . 131 ASP CB . 6688 1 1401 . 1 1 131 131 ASP N N 15 119.8 0.14 . 1 . . . . 131 ASP N . 6688 1 1402 . 1 1 132 132 PRO HA H 1 3.54 0.015 . 1 . . . . 132 PRO HA . 6688 1 1403 . 1 1 132 132 PRO HB2 H 1 -0.45 0.02 . 1 . . . . 132 PRO HB2 . 6688 1 1404 . 1 1 132 132 PRO HB3 H 1 1.55 0.02 . 1 . . . . 132 PRO HB3 . 6688 1 1405 . 1 1 132 132 PRO HG2 H 1 0.27 0.02 . 4 . . . . 132 PRO HG2 . 6688 1 1406 . 1 1 132 132 PRO HG3 H 1 1.21 0.02 . 4 . . . . 132 PRO HG3 . 6688 1 1407 . 1 1 132 132 PRO HD2 H 1 2.05 0.02 . 1 . . . . 132 PRO HD2 . 6688 1 1408 . 1 1 132 132 PRO HD3 H 1 3.03 0.02 . 1 . . . . 132 PRO HD3 . 6688 1 1409 . 1 1 132 132 PRO C C 13 176.7 0.08 . 1 . . . . 132 PRO C . 6688 1 1410 . 1 1 132 132 PRO CA C 13 63.46 0.31 . 1 . . . . 132 PRO CA . 6688 1 1411 . 1 1 132 132 PRO CB C 13 31.89 0.31 . 1 . . . . 132 PRO CB . 6688 1 1412 . 1 1 132 132 PRO CG C 13 27.2 0.31 . 1 . . . . 132 PRO CG . 6688 1 1413 . 1 1 132 132 PRO CD C 13 51.57 0.31 . 1 . . . . 132 PRO CD . 6688 1 1414 . 1 1 133 133 LEU H H 1 8.25 0.015 . 1 . . . . 133 LEU H . 6688 1 1415 . 1 1 133 133 LEU HA H 1 3.96 0.015 . 1 . . . . 133 LEU HA . 6688 1 1416 . 1 1 133 133 LEU HB2 H 1 1.22 0.015 . 1 . . . . 133 LEU HB2 . 6688 1 1417 . 1 1 133 133 LEU HG H 1 1.22 0.015 . 1 . . . . 133 LEU HG . 6688 1 1418 . 1 1 133 133 LEU HD11 H 1 0.12 0.015 . 1 . . . . 133 LEU HD1 . 6688 1 1419 . 1 1 133 133 LEU HD12 H 1 0.12 0.015 . 1 . . . . 133 LEU HD1 . 6688 1 1420 . 1 1 133 133 LEU HD13 H 1 0.12 0.015 . 1 . . . . 133 LEU HD1 . 6688 1 1421 . 1 1 133 133 LEU HD21 H 1 0 0.015 . 1 . . . . 133 LEU HD2 . 6688 1 1422 . 1 1 133 133 LEU HD22 H 1 0 0.015 . 1 . . . . 133 LEU HD2 . 6688 1 1423 . 1 1 133 133 LEU HD23 H 1 0 0.015 . 1 . . . . 133 LEU HD2 . 6688 1 1424 . 1 1 133 133 LEU C C 13 175.5 0.08 . 1 . . . . 133 LEU C . 6688 1 1425 . 1 1 133 133 LEU CA C 13 56.9 0.31 . 1 . . . . 133 LEU CA . 6688 1 1426 . 1 1 133 133 LEU CB C 13 43.77 0.31 . 1 . . . . 133 LEU CB . 6688 1 1427 . 1 1 133 133 LEU CG C 13 26.58 0.31 . 1 . . . . 133 LEU CG . 6688 1 1428 . 1 1 133 133 LEU CD1 C 13 24.39 0.31 . 1 . . . . 133 LEU CD1 . 6688 1 1429 . 1 1 133 133 LEU CD2 C 13 23.46 0.31 . 1 . . . . 133 LEU CD2 . 6688 1 1430 . 1 1 133 133 LEU N N 15 123.7 0.14 . 1 . . . . 133 LEU N . 6688 1 1431 . 1 1 134 134 PRO HA H 1 4.19 0.015 . 9 . . . . 134 PRO HA . 6688 1 1432 . 1 1 134 134 PRO HB2 H 1 2.31 0.02 . 9 . . . . 134 PRO HB2 . 6688 1 1433 . 1 1 134 134 PRO HB3 H 1 1.78 0.02 . 9 . . . . 134 PRO HB3 . 6688 1 1434 . 1 1 134 134 PRO HG2 H 1 1.93 0.02 . 9 . . . . 134 PRO HG2 . 6688 1 1435 . 1 1 134 134 PRO HD2 H 1 3.51 0.02 . 9 . . . . 134 PRO HD2 . 6688 1 1436 . 1 1 134 134 PRO C C 13 177.1 0.08 . 1 . . . . 134 PRO C . 6688 1 1437 . 1 1 134 134 PRO CA C 13 65.64 0.31 . 1 . . . . 134 PRO CA . 6688 1 1438 . 1 1 134 134 PRO CB C 13 31.49 0.31 . 1 . . . . 134 PRO CB . 6688 1 1439 . 1 1 134 134 PRO CG C 13 27.52 0.31 . 9 . . . . 134 PRO CG . 6688 1 1440 . 1 1 134 134 PRO CD C 13 50.12 0.31 . 9 . . . . 134 PRO CD . 6688 1 1441 . 1 1 135 135 VAL H H 1 7.07 0.015 . 1 . . . . 135 VAL H . 6688 1 1442 . 1 1 135 135 VAL HA H 1 3.9 0.015 . 1 . . . . 135 VAL HA . 6688 1 1443 . 1 1 135 135 VAL HB H 1 2.07 0.02 . 1 . . . . 135 VAL HB . 6688 1 1444 . 1 1 135 135 VAL HG11 H 1 0.86 0.02 . 2 . . . . 135 VAL HG1 . 6688 1 1445 . 1 1 135 135 VAL HG12 H 1 0.86 0.02 . 2 . . . . 135 VAL HG1 . 6688 1 1446 . 1 1 135 135 VAL HG13 H 1 0.86 0.02 . 2 . . . . 135 VAL HG1 . 6688 1 1447 . 1 1 135 135 VAL HG21 H 1 0.93 0.02 . 2 . . . . 135 VAL HG2 . 6688 1 1448 . 1 1 135 135 VAL HG22 H 1 0.93 0.02 . 2 . . . . 135 VAL HG2 . 6688 1 1449 . 1 1 135 135 VAL HG23 H 1 0.93 0.02 . 2 . . . . 135 VAL HG2 . 6688 1 1450 . 1 1 135 135 VAL C C 13 177.4 0.08 . 1 . . . . 135 VAL C . 6688 1 1451 . 1 1 135 135 VAL CA C 13 63.73 0.31 . 1 . . . . 135 VAL CA . 6688 1 1452 . 1 1 135 135 VAL CB C 13 32.82 0.31 . 1 . . . . 135 VAL CB . 6688 1 1453 . 1 1 135 135 VAL CG1 C 13 21.26 0.31 . 1 . . . . 135 VAL CG1 . 6688 1 1454 . 1 1 135 135 VAL CG2 C 13 21.26 0.31 . 1 . . . . 135 VAL CG2 . 6688 1 1455 . 1 1 135 135 VAL N N 15 114.3 0.14 . 1 . . . . 135 VAL N . 6688 1 1456 . 1 1 136 136 VAL H H 1 8.03 0.015 . 1 . . . . 136 VAL H . 6688 1 1457 . 1 1 136 136 VAL HA H 1 3.48 0.015 . 1 . . . . 136 VAL HA . 6688 1 1458 . 1 1 136 136 VAL HB H 1 1.76 0.02 . 1 . . . . 136 VAL HB . 6688 1 1459 . 1 1 136 136 VAL HG11 H 1 0.91 0.02 . 4 . . . . 136 VAL HG1 . 6688 1 1460 . 1 1 136 136 VAL HG12 H 1 0.91 0.02 . 4 . . . . 136 VAL HG1 . 6688 1 1461 . 1 1 136 136 VAL HG13 H 1 0.91 0.02 . 4 . . . . 136 VAL HG1 . 6688 1 1462 . 1 1 136 136 VAL C C 13 177.1 0.08 . 1 . . . . 136 VAL C . 6688 1 1463 . 1 1 136 136 VAL CA C 13 66.25 0.31 . 1 . . . . 136 VAL CA . 6688 1 1464 . 1 1 136 136 VAL CB C 13 33.79 0.31 . 1 . . . . 136 VAL CB . 6688 1 1465 . 1 1 136 136 VAL CG1 C 13 22.5 0.31 . 1 . . . . 136 VAL CG1 . 6688 1 1466 . 1 1 136 136 VAL N N 15 119.1 0.14 . 1 . . . . 136 VAL N . 6688 1 1467 . 1 1 137 137 PHE H H 1 9.75 0.015 . 1 . . . . 137 PHE H . 6688 1 1468 . 1 1 137 137 PHE HA H 1 4.728 0.015 . 1 . . . . 137 PHE HA . 6688 1 1469 . 1 1 137 137 PHE HB2 H 1 3.36 0.02 . 1 . . . . 137 PHE HB2 . 6688 1 1470 . 1 1 137 137 PHE HB3 H 1 2.96 0.02 . 1 . . . . 137 PHE HB3 . 6688 1 1471 . 1 1 137 137 PHE HD1 H 1 7.17 0.02 . 3 . . . . 137 PHE HD1 . 6688 1 1472 . 1 1 137 137 PHE HE1 H 1 6.43 0.02 . 3 . . . . 137 PHE HE1 . 6688 1 1473 . 1 1 137 137 PHE HZ H 1 7.07 0.02 . 1 . . . . 137 PHE HZ . 6688 1 1474 . 1 1 137 137 PHE C C 13 173.9 0.08 . 1 . . . . 137 PHE C . 6688 1 1475 . 1 1 137 137 PHE CA C 13 60.97 0.31 . 1 . . . . 137 PHE CA . 6688 1 1476 . 1 1 137 137 PHE CB C 13 35.93 0.31 . 1 . . . . 137 PHE CB . 6688 1 1477 . 1 1 137 137 PHE CD1 C 13 133.07 0.31 . 3 . . . . 137 PHE CD1 . 6688 1 1478 . 1 1 137 137 PHE CE1 C 13 119.63 0.31 . 3 . . . . 137 PHE CE1 . 6688 1 1479 . 1 1 137 137 PHE CZ C 13 131.2 0.31 . 1 . . . . 137 PHE CZ . 6688 1 1480 . 1 1 137 137 PHE N N 15 119.8 0.14 . 1 . . . . 137 PHE N . 6688 1 1481 . 1 1 138 138 PRO HA H 1 3.94 0.015 . 1 . . . . 138 PRO HA . 6688 1 1482 . 1 1 138 138 PRO HB2 H 1 2.19 0.02 . 1 . . . . 138 PRO HB2 . 6688 1 1483 . 1 1 138 138 PRO HB3 H 1 1.74 0.02 . 1 . . . . 138 PRO HB3 . 6688 1 1484 . 1 1 138 138 PRO HG2 H 1 1.82 0.02 . 1 . . . . 138 PRO HG2 . 6688 1 1485 . 1 1 138 138 PRO HD2 H 1 3.54 0.02 . 1 . . . . 138 PRO HD2 . 6688 1 1486 . 1 1 138 138 PRO HD3 H 1 3.43 0.02 . 1 . . . . 138 PRO HD3 . 6688 1 1487 . 1 1 138 138 PRO C C 13 178.5 0.08 . 1 . . . . 138 PRO C . 6688 1 1488 . 1 1 138 138 PRO CA C 13 66 0.31 . 1 . . . . 138 PRO CA . 6688 1 1489 . 1 1 138 138 PRO CB C 13 30.6 0.31 . 1 . . . . 138 PRO CB . 6688 1 1490 . 1 1 138 138 PRO CG C 13 27.83 0.31 . 1 . . . . 138 PRO CG . 6688 1 1491 . 1 1 138 138 PRO CD C 13 49.49 0.31 . 1 . . . . 138 PRO CD . 6688 1 1492 . 1 1 139 139 ILE H H 1 6.83 0.015 . 1 . . . . 139 ILE H . 6688 1 1493 . 1 1 139 139 ILE HA H 1 3.8 0.015 . 1 . . . . 139 ILE HA . 6688 1 1494 . 1 1 139 139 ILE HB H 1 2.25 0.02 . 1 . . . . 139 ILE HB . 6688 1 1495 . 1 1 139 139 ILE HG12 H 1 1.9 0.02 . 4 . . . . 139 ILE HG12 . 6688 1 1496 . 1 1 139 139 ILE HG21 H 1 1.07 0.02 . 1 . . . . 139 ILE HG2 . 6688 1 1497 . 1 1 139 139 ILE HG22 H 1 1.07 0.02 . 1 . . . . 139 ILE HG2 . 6688 1 1498 . 1 1 139 139 ILE HG23 H 1 1.07 0.02 . 1 . . . . 139 ILE HG2 . 6688 1 1499 . 1 1 139 139 ILE HD11 H 1 0.92 0.02 . 1 . . . . 139 ILE HD1 . 6688 1 1500 . 1 1 139 139 ILE HD12 H 1 0.92 0.02 . 1 . . . . 139 ILE HD1 . 6688 1 1501 . 1 1 139 139 ILE HD13 H 1 0.92 0.02 . 1 . . . . 139 ILE HD1 . 6688 1 1502 . 1 1 139 139 ILE C C 13 178.5 0.08 . 1 . . . . 139 ILE C . 6688 1 1503 . 1 1 139 139 ILE CA C 13 64.82 0.31 . 1 . . . . 139 ILE CA . 6688 1 1504 . 1 1 139 139 ILE CB C 13 38.3 0.31 . 1 . . . . 139 ILE CB . 6688 1 1505 . 1 1 139 139 ILE CG1 C 13 27.83 0.31 . 1 . . . . 139 ILE CG1 . 6688 1 1506 . 1 1 139 139 ILE CG2 C 13 16.89 0.31 . 1 . . . . 139 ILE CG2 . 6688 1 1507 . 1 1 139 139 ILE CD1 C 13 14.39 0.31 . 1 . . . . 139 ILE CD1 . 6688 1 1508 . 1 1 139 139 ILE N N 15 118.4 0.14 . 1 . . . . 139 ILE N . 6688 1 1509 . 1 1 140 140 VAL H H 1 8.34 0.015 . 1 . . . . 140 VAL H . 6688 1 1510 . 1 1 140 140 VAL HA H 1 4.27 0.015 . 1 . . . . 140 VAL HA . 6688 1 1511 . 1 1 140 140 VAL HG11 H 1 0.77 0.02 . 1 . . . . 140 VAL HG1 . 6688 1 1512 . 1 1 140 140 VAL HG12 H 1 0.77 0.02 . 1 . . . . 140 VAL HG1 . 6688 1 1513 . 1 1 140 140 VAL HG13 H 1 0.77 0.02 . 1 . . . . 140 VAL HG1 . 6688 1 1514 . 1 1 140 140 VAL HG21 H 1 0.61 0.02 . 1 . . . . 140 VAL HG2 . 6688 1 1515 . 1 1 140 140 VAL HG22 H 1 0.61 0.02 . 1 . . . . 140 VAL HG2 . 6688 1 1516 . 1 1 140 140 VAL HG23 H 1 0.61 0.02 . 1 . . . . 140 VAL HG2 . 6688 1 1517 . 1 1 140 140 VAL C C 13 177.3 0.08 . 1 . . . . 140 VAL C . 6688 1 1518 . 1 1 140 140 VAL CA C 13 66.7 0.31 . 1 . . . . 140 VAL CA . 6688 1 1519 . 1 1 140 140 VAL CB C 13 31.85 0.31 . 1 . . . . 140 VAL CB . 6688 1 1520 . 1 1 140 140 VAL CG1 C 13 25.11 0.31 . 1 . . . . 140 VAL CG1 . 6688 1 1521 . 1 1 140 140 VAL CG2 C 13 22.93 0.31 . 1 . . . . 140 VAL CG2 . 6688 1 1522 . 1 1 140 140 VAL N N 15 121.8 0.14 . 1 . . . . 140 VAL N . 6688 1 1523 . 1 1 141 141 GLN H H 1 8.89 0.015 . 1 . . . . 141 GLN H . 6688 1 1524 . 1 1 141 141 GLN HA H 1 3.61 0.015 . 1 . . . . 141 GLN HA . 6688 1 1525 . 1 1 141 141 GLN HB2 H 1 1.76 0.02 . 1 . . . . 141 GLN HB2 . 6688 1 1526 . 1 1 141 141 GLN HB3 H 1 1.51 0.02 . 1 . . . . 141 GLN HB3 . 6688 1 1527 . 1 1 141 141 GLN HG2 H 1 2 0.02 . 1 . . . . 141 GLN HG2 . 6688 1 1528 . 1 1 141 141 GLN HG3 H 1 1.91 0.02 . 1 . . . . 141 GLN HG3 . 6688 1 1529 . 1 1 141 141 GLN HE21 H 1 6.99 0.02 . 9 . . . . 141 GLN HE21 . 6688 1 1530 . 1 1 141 141 GLN C C 13 179 0.08 . 1 . . . . 141 GLN C . 6688 1 1531 . 1 1 141 141 GLN CA C 13 59.77 0.31 . 1 . . . . 141 GLN CA . 6688 1 1532 . 1 1 141 141 GLN CB C 13 29.02 0.31 . 1 . . . . 141 GLN CB . 6688 1 1533 . 1 1 141 141 GLN CG C 13 33.76 0.31 . 1 . . . . 141 GLN CG . 6688 1 1534 . 1 1 141 141 GLN N N 15 118.6 0.14 . 1 . . . . 141 GLN N . 6688 1 1535 . 1 1 141 141 GLN NE2 N 15 109.6 0.14 . 1 . . . . 141 GLN NE2 . 6688 1 1536 . 1 1 142 142 GLY H H 1 7.88 0.015 . 1 . . . . 142 GLY H . 6688 1 1537 . 1 1 142 142 GLY HA2 H 1 4.02 0.015 . 1 . . . . 142 GLY HA2 . 6688 1 1538 . 1 1 142 142 GLY HA3 H 1 3.86 0.015 . 1 . . . . 142 GLY HA3 . 6688 1 1539 . 1 1 142 142 GLY C C 13 176.9 0.08 . 1 . . . . 142 GLY C . 6688 1 1540 . 1 1 142 142 GLY CA C 13 47.18 0.31 . 1 . . . . 142 GLY CA . 6688 1 1541 . 1 1 142 142 GLY N N 15 106.5 0.14 . 1 . . . . 142 GLY N . 6688 1 1542 . 1 1 143 143 GLU H H 1 8.36 0.015 . 1 . . . . 143 GLU H . 6688 1 1543 . 1 1 143 143 GLU HA H 1 4.26 0.015 . 1 . . . . 143 GLU HA . 6688 1 1544 . 1 1 143 143 GLU HB2 H 1 2.21 0.02 . 1 . . . . 143 GLU HB2 . 6688 1 1545 . 1 1 143 143 GLU HB3 H 1 2.14 0.02 . 1 . . . . 143 GLU HB3 . 6688 1 1546 . 1 1 143 143 GLU HG2 H 1 2.53 0.02 . 1 . . . . 143 GLU HG2 . 6688 1 1547 . 1 1 143 143 GLU HG3 H 1 2.37 0.02 . 1 . . . . 143 GLU HG3 . 6688 1 1548 . 1 1 143 143 GLU C C 13 179.8 0.08 . 1 . . . . 143 GLU C . 6688 1 1549 . 1 1 143 143 GLU CA C 13 58.3 0.31 . 1 . . . . 143 GLU CA . 6688 1 1550 . 1 1 143 143 GLU CB C 13 29.95 0.31 . 1 . . . . 143 GLU CB . 6688 1 1551 . 1 1 143 143 GLU CG C 13 35.33 0.31 . 1 . . . . 143 GLU CG . 6688 1 1552 . 1 1 143 143 GLU N N 15 122.2 0.14 . 1 . . . . 143 GLU N . 6688 1 1553 . 1 1 144 144 LEU H H 1 8.88 0.015 . 1 . . . . 144 LEU H . 6688 1 1554 . 1 1 144 144 LEU HA H 1 4.08 0.015 . 1 . . . . 144 LEU HA . 6688 1 1555 . 1 1 144 144 LEU HB2 H 1 1.88 0.02 . 1 . . . . 144 LEU HB2 . 6688 1 1556 . 1 1 144 144 LEU HB3 H 1 1.35 0.02 . 1 . . . . 144 LEU HB3 . 6688 1 1557 . 1 1 144 144 LEU HG H 1 1.76 0.02 . 1 . . . . 144 LEU HG . 6688 1 1558 . 1 1 144 144 LEU HD11 H 1 0.75 0.02 . 2 . . . . 144 LEU HD1 . 6688 1 1559 . 1 1 144 144 LEU HD12 H 1 0.75 0.02 . 2 . . . . 144 LEU HD1 . 6688 1 1560 . 1 1 144 144 LEU HD13 H 1 0.75 0.02 . 2 . . . . 144 LEU HD1 . 6688 1 1561 . 1 1 144 144 LEU HD21 H 1 0.54 0.02 . 2 . . . . 144 LEU HD2 . 6688 1 1562 . 1 1 144 144 LEU HD22 H 1 0.54 0.02 . 2 . . . . 144 LEU HD2 . 6688 1 1563 . 1 1 144 144 LEU HD23 H 1 0.54 0.02 . 2 . . . . 144 LEU HD2 . 6688 1 1564 . 1 1 144 144 LEU C C 13 180 0.08 . 1 . . . . 144 LEU C . 6688 1 1565 . 1 1 144 144 LEU CA C 13 57.87 0.31 . 1 . . . . 144 LEU CA . 6688 1 1566 . 1 1 144 144 LEU CB C 13 41.55 0.31 . 1 . . . . 144 LEU CB . 6688 1 1567 . 1 1 144 144 LEU CG C 13 27.61 0.31 . 1 . . . . 144 LEU CG . 6688 1 1568 . 1 1 144 144 LEU CD1 C 13 22.83 0.31 . 1 . . . . 144 LEU CD1 . 6688 1 1569 . 1 1 144 144 LEU CD2 C 13 25.64 0.31 . 1 . . . . 144 LEU CD2 . 6688 1 1570 . 1 1 144 144 LEU N N 15 120.1 0.14 . 1 . . . . 144 LEU N . 6688 1 1571 . 1 1 145 145 SER H H 1 7.89 0.015 . 1 . . . . 145 SER H . 6688 1 1572 . 1 1 145 145 SER HA H 1 4.03 0.015 . 1 . . . . 145 SER HA . 6688 1 1573 . 1 1 145 145 SER HB2 H 1 3.92 0.02 . 1 . . . . 145 SER HB2 . 6688 1 1574 . 1 1 145 145 SER C C 13 176.1 0.08 . 1 . . . . 145 SER C . 6688 1 1575 . 1 1 145 145 SER CA C 13 61.56 0.31 . 1 . . . . 145 SER CA . 6688 1 1576 . 1 1 145 145 SER CB C 13 62.67 0.31 . 1 . . . . 145 SER CB . 6688 1 1577 . 1 1 145 145 SER N N 15 115.7 0.14 . 1 . . . . 145 SER N . 6688 1 1578 . 1 1 146 146 LYS H H 1 7.61 0.015 . 1 . . . . 146 LYS H . 6688 1 1579 . 1 1 146 146 LYS HA H 1 4.08 0.015 . 1 . . . . 146 LYS HA . 6688 1 1580 . 1 1 146 146 LYS HB2 H 1 1.83 0.02 . 4 . . . . 146 LYS HB2 . 6688 1 1581 . 1 1 146 146 LYS HG2 H 1 1.61 0.02 . 1 . . . . 146 LYS HG2 . 6688 1 1582 . 1 1 146 146 LYS HG3 H 1 1.45 0.02 . 1 . . . . 146 LYS HG3 . 6688 1 1583 . 1 1 146 146 LYS HE2 H 1 3.01 0.02 . 4 . . . . 146 LYS HE2 . 6688 1 1584 . 1 1 146 146 LYS C C 13 179 0.08 . 1 . . . . 146 LYS C . 6688 1 1585 . 1 1 146 146 LYS CA C 13 58.62 0.31 . 1 . . . . 146 LYS CA . 6688 1 1586 . 1 1 146 146 LYS CB C 13 32.51 0.31 . 1 . . . . 146 LYS CB . 6688 1 1587 . 1 1 146 146 LYS CG C 13 25.64 0.31 . 1 . . . . 146 LYS CG . 6688 1 1588 . 1 1 146 146 LYS CE C 13 41.58 0.31 . 1 . . . . 146 LYS CE . 6688 1 1589 . 1 1 146 146 LYS N N 15 122.3 0.14 . 1 . . . . 146 LYS N . 6688 1 1590 . 1 1 147 147 GLN H H 1 8.21 0.015 . 1 . . . . 147 GLN H . 6688 1 1591 . 1 1 147 147 GLN HA H 1 4.18 0.015 . 1 . . . . 147 GLN HA . 6688 1 1592 . 1 1 147 147 GLN HB2 H 1 2.26 0.02 . 1 . . . . 147 GLN HB2 . 6688 1 1593 . 1 1 147 147 GLN HB3 H 1 2.17 0.02 . 1 . . . . 147 GLN HB3 . 6688 1 1594 . 1 1 147 147 GLN HG2 H 1 2.81 0.02 . 1 . . . . 147 GLN HG2 . 6688 1 1595 . 1 1 147 147 GLN HG3 H 1 2.52 0.02 . 1 . . . . 147 GLN HG3 . 6688 1 1596 . 1 1 147 147 GLN HE21 H 1 6.99 0.02 . 1 . . . . 147 GLN HE21 . 6688 1 1597 . 1 1 147 147 GLN HE22 H 1 7.8 0.02 . 1 . . . . 147 GLN HE22 . 6688 1 1598 . 1 1 147 147 GLN C C 13 178 0.08 . 1 . . . . 147 GLN C . 6688 1 1599 . 1 1 147 147 GLN CA C 13 58.21 0.31 . 1 . . . . 147 GLN CA . 6688 1 1600 . 1 1 147 147 GLN CB C 13 29.23 0.31 . 1 . . . . 147 GLN CB . 6688 1 1601 . 1 1 147 147 GLN CG C 13 33.76 0.31 . 1 . . . . 147 GLN CG . 6688 1 1602 . 1 1 147 147 GLN N N 15 117.1 0.14 . 1 . . . . 147 GLN N . 6688 1 1603 . 1 1 147 147 GLN NE2 N 15 109.4 0.14 . 1 . . . . 147 GLN NE2 . 6688 1 1604 . 1 1 148 148 THR H H 1 7.93 0.015 . 1 . . . . 148 THR H . 6688 1 1605 . 1 1 148 148 THR HA H 1 4.4 0.015 . 1 . . . . 148 THR HA . 6688 1 1606 . 1 1 148 148 THR HB H 1 4 0.02 . 1 . . . . 148 THR HB . 6688 1 1607 . 1 1 148 148 THR HG21 H 1 1.35 0.02 . 1 . . . . 148 THR HG2 . 6688 1 1608 . 1 1 148 148 THR HG22 H 1 1.35 0.02 . 1 . . . . 148 THR HG2 . 6688 1 1609 . 1 1 148 148 THR HG23 H 1 1.35 0.02 . 1 . . . . 148 THR HG2 . 6688 1 1610 . 1 1 148 148 THR C C 13 175.4 0.08 . 1 . . . . 148 THR C . 6688 1 1611 . 1 1 148 148 THR CA C 13 62.5 0.31 . 1 . . . . 148 THR CA . 6688 1 1612 . 1 1 148 148 THR CB C 13 70.42 0.31 . 1 . . . . 148 THR CB . 6688 1 1613 . 1 1 148 148 THR CG2 C 13 21.58 0.31 . 1 . . . . 148 THR CG2 . 6688 1 1614 . 1 1 148 148 THR N N 15 107.9 0.14 . 1 . . . . 148 THR N . 6688 1 1615 . 1 1 149 149 GLY H H 1 8 0.015 . 1 . . . . 149 GLY H . 6688 1 1616 . 1 1 149 149 GLY HA2 H 1 4.12 0.015 . 1 . . . . 149 GLY HA2 . 6688 1 1617 . 1 1 149 149 GLY HA3 H 1 3.85 0.015 . 1 . . . . 149 GLY HA3 . 6688 1 1618 . 1 1 149 149 GLY C C 13 173.7 0.08 . 1 . . . . 149 GLY C . 6688 1 1619 . 1 1 149 149 GLY CA C 13 45.93 0.31 . 1 . . . . 149 GLY CA . 6688 1 1620 . 1 1 149 149 GLY N N 15 111.2 0.14 . 1 . . . . 149 GLY N . 6688 1 1621 . 1 1 150 150 GLN H H 1 8.03 0.015 . 1 . . . . 150 GLN H . 6688 1 1622 . 1 1 150 150 GLN HA H 1 4.45 0.015 . 1 . . . . 150 GLN HA . 6688 1 1623 . 1 1 150 150 GLN HB2 H 1 2.1 0.02 . 1 . . . . 150 GLN HB2 . 6688 1 1624 . 1 1 150 150 GLN HB3 H 1 1.92 0.02 . 1 . . . . 150 GLN HB3 . 6688 1 1625 . 1 1 150 150 GLN HG2 H 1 2.2 0.02 . 1 . . . . 150 GLN HG2 . 6688 1 1626 . 1 1 150 150 GLN HG3 H 1 2.26 0.02 . 1 . . . . 150 GLN HG3 . 6688 1 1627 . 1 1 150 150 GLN HE21 H 1 6.83 0.02 . 1 . . . . 150 GLN HE21 . 6688 1 1628 . 1 1 150 150 GLN HE22 H 1 7.48 0.02 . 1 . . . . 150 GLN HE22 . 6688 1 1629 . 1 1 150 150 GLN C C 13 174.2 0.08 . 1 . . . . 150 GLN C . 6688 1 1630 . 1 1 150 150 GLN CA C 13 54.37 0.31 . 1 . . . . 150 GLN CA . 6688 1 1631 . 1 1 150 150 GLN CB C 13 30.83 0.31 . 1 . . . . 150 GLN CB . 6688 1 1632 . 1 1 150 150 GLN CG C 13 33.45 0.31 . 1 . . . . 150 GLN CG . 6688 1 1633 . 1 1 150 150 GLN N N 15 117.3 0.14 . 1 . . . . 150 GLN N . 6688 1 1634 . 1 1 150 150 GLN NE2 N 15 112.7 0.14 . 1 . . . . 150 GLN NE2 . 6688 1 1635 . 1 1 151 151 GLN H H 1 8.3 0.015 . 1 . . . . 151 GLN H . 6688 1 1636 . 1 1 151 151 GLN HA H 1 4.19 0.015 . 1 . . . . 151 GLN HA . 6688 1 1637 . 1 1 151 151 GLN HB2 H 1 1.99 0.02 . 4 . . . . 151 GLN HB2 . 6688 1 1638 . 1 1 151 151 GLN HG2 H 1 2.33 0.02 . 4 . . . . 151 GLN HG2 . 6688 1 1639 . 1 1 151 151 GLN HE21 H 1 7.67 0.02 . 1 . . . . 151 GLN HE21 . 6688 1 1640 . 1 1 151 151 GLN HE22 H 1 6.88 0.02 . 1 . . . . 151 GLN HE22 . 6688 1 1641 . 1 1 151 151 GLN C C 13 176.3 0.08 . 1 . . . . 151 GLN C . 6688 1 1642 . 1 1 151 151 GLN CA C 13 56.16 0.31 . 1 . . . . 151 GLN CA . 6688 1 1643 . 1 1 151 151 GLN CB C 13 28.44 0.31 . 1 . . . . 151 GLN CB . 6688 1 1644 . 1 1 151 151 GLN CG C 13 33.7 0.31 . 1 . . . . 151 GLN CG . 6688 1 1645 . 1 1 151 151 GLN N N 15 119.4 0.14 . 1 . . . . 151 GLN N . 6688 1 1646 . 1 1 151 151 GLN NE2 N 15 111.2 0.14 . 1 . . . . 151 GLN NE2 . 6688 1 1647 . 1 1 152 152 VAL H H 1 8.05 0.015 . 1 . . . . 152 VAL H . 6688 1 1648 . 1 1 152 152 VAL HA H 1 4.15 0.015 . 1 . . . . 152 VAL HA . 6688 1 1649 . 1 1 152 152 VAL HB H 1 1.96 0.02 . 1 . . . . 152 VAL HB . 6688 1 1650 . 1 1 152 152 VAL HG11 H 1 0.87 0.02 . 2 . . . . 152 VAL HG1 . 6688 1 1651 . 1 1 152 152 VAL HG12 H 1 0.87 0.02 . 2 . . . . 152 VAL HG1 . 6688 1 1652 . 1 1 152 152 VAL HG13 H 1 0.87 0.02 . 2 . . . . 152 VAL HG1 . 6688 1 1653 . 1 1 152 152 VAL HG21 H 1 0.73 0.02 . 2 . . . . 152 VAL HG2 . 6688 1 1654 . 1 1 152 152 VAL HG22 H 1 0.73 0.02 . 2 . . . . 152 VAL HG2 . 6688 1 1655 . 1 1 152 152 VAL HG23 H 1 0.73 0.02 . 2 . . . . 152 VAL HG2 . 6688 1 1656 . 1 1 152 152 VAL C C 13 175.1 0.08 . 1 . . . . 152 VAL C . 6688 1 1657 . 1 1 152 152 VAL CA C 13 61.26 0.31 . 1 . . . . 152 VAL CA . 6688 1 1658 . 1 1 152 152 VAL CB C 13 33.12 0.31 . 1 . . . . 152 VAL CB . 6688 1 1659 . 1 1 152 152 VAL CG1 C 13 21.58 0.31 . 1 . . . . 152 VAL CG1 . 6688 1 1660 . 1 1 152 152 VAL CG2 C 13 21.58 0.31 . 1 . . . . 152 VAL CG2 . 6688 1 1661 . 1 1 152 152 VAL N N 15 123.6 0.14 . 1 . . . . 152 VAL N . 6688 1 1662 . 1 1 153 153 SER H H 1 8.51 0.015 . 1 . . . . 153 SER H . 6688 1 1663 . 1 1 153 153 SER HA H 1 4.56 0.015 . 1 . . . . 153 SER HA . 6688 1 1664 . 1 1 153 153 SER HB2 H 1 3.77 0.02 . 1 . . . . 153 SER HB2 . 6688 1 1665 . 1 1 153 153 SER HB3 H 1 3.66 0.02 . 1 . . . . 153 SER HB3 . 6688 1 1666 . 1 1 153 153 SER C C 13 173.5 0.08 . 1 . . . . 153 SER C . 6688 1 1667 . 1 1 153 153 SER CA C 13 56.87 0.31 . 1 . . . . 153 SER CA . 6688 1 1668 . 1 1 153 153 SER CB C 13 63.17 0.31 . 1 . . . . 153 SER CB . 6688 1 1669 . 1 1 153 153 SER N N 15 121.2 0.14 . 1 . . . . 153 SER N . 6688 1 1670 . 1 1 154 154 ILE H H 1 8.36 0.015 . 1 . . . . 154 ILE H . 6688 1 1671 . 1 1 154 154 ILE HA H 1 4.1 0.015 . 1 . . . . 154 ILE HA . 6688 1 1672 . 1 1 154 154 ILE HB H 1 1.79 0.02 . 1 . . . . 154 ILE HB . 6688 1 1673 . 1 1 154 154 ILE HG12 H 1 1.37 0.02 . 1 . . . . 154 ILE HG12 . 6688 1 1674 . 1 1 154 154 ILE HG13 H 1 1.1 0.02 . 1 . . . . 154 ILE HG13 . 6688 1 1675 . 1 1 154 154 ILE HG21 H 1 0.92 0.02 . 1 . . . . 154 ILE HG2 . 6688 1 1676 . 1 1 154 154 ILE HG22 H 1 0.92 0.02 . 1 . . . . 154 ILE HG2 . 6688 1 1677 . 1 1 154 154 ILE HG23 H 1 0.92 0.02 . 1 . . . . 154 ILE HG2 . 6688 1 1678 . 1 1 154 154 ILE HD11 H 1 0.69 0.02 . 1 . . . . 154 ILE HD1 . 6688 1 1679 . 1 1 154 154 ILE HD12 H 1 0.69 0.02 . 1 . . . . 154 ILE HD1 . 6688 1 1680 . 1 1 154 154 ILE HD13 H 1 0.69 0.02 . 1 . . . . 154 ILE HD1 . 6688 1 1681 . 1 1 154 154 ILE C C 13 175.2 0.08 . 1 . . . . 154 ILE C . 6688 1 1682 . 1 1 154 154 ILE CA C 13 59.69 0.31 . 1 . . . . 154 ILE CA . 6688 1 1683 . 1 1 154 154 ILE CB C 13 39.79 0.31 . 1 . . . . 154 ILE CB . 6688 1 1684 . 1 1 154 154 ILE CG1 C 13 26.26 0.31 . 1 . . . . 154 ILE CG1 . 6688 1 1685 . 1 1 154 154 ILE CG2 C 13 18.14 0.31 . 1 . . . . 154 ILE CG2 . 6688 1 1686 . 1 1 154 154 ILE CD1 C 13 12.2 0.31 . 1 . . . . 154 ILE CD1 . 6688 1 1687 . 1 1 154 154 ILE N N 15 126.7 0.14 . 1 . . . . 154 ILE N . 6688 1 1688 . 1 1 155 155 ALA H H 1 8.88 0.015 . 1 . . . . 155 ALA H . 6688 1 1689 . 1 1 155 155 ALA HA H 1 4.53 0.015 . 1 . . . . 155 ALA HA . 6688 1 1690 . 1 1 155 155 ALA HB1 H 1 1.45 0.02 . 1 . . . . 155 ALA HB . 6688 1 1691 . 1 1 155 155 ALA HB2 H 1 1.45 0.02 . 1 . . . . 155 ALA HB . 6688 1 1692 . 1 1 155 155 ALA HB3 H 1 1.45 0.02 . 1 . . . . 155 ALA HB . 6688 1 1693 . 1 1 155 155 ALA C C 13 177.1 0.08 . 1 . . . . 155 ALA C . 6688 1 1694 . 1 1 155 155 ALA CA C 13 50.6 0.31 . 1 . . . . 155 ALA CA . 6688 1 1695 . 1 1 155 155 ALA CB C 13 17.84 0.31 . 1 . . . . 155 ALA CB . 6688 1 1696 . 1 1 155 155 ALA N N 15 132.2 0.14 . 1 . . . . 155 ALA N . 6688 1 1697 . 1 1 156 156 PRO HA H 1 3.9 0.015 . 1 . . . . 156 PRO HA . 6688 1 1698 . 1 1 156 156 PRO HB2 H 1 2.34 0.02 . 1 . . . . 156 PRO HB2 . 6688 1 1699 . 1 1 156 156 PRO HB3 H 1 1.94 0.02 . 1 . . . . 156 PRO HB3 . 6688 1 1700 . 1 1 156 156 PRO HG2 H 1 1.99 0.02 . 1 . . . . 156 PRO HG2 . 6688 1 1701 . 1 1 156 156 PRO HD2 H 1 3.5 0.02 . 1 . . . . 156 PRO HD2 . 6688 1 1702 . 1 1 156 156 PRO HD3 H 1 2.89 0.02 . 1 . . . . 156 PRO HD3 . 6688 1 1703 . 1 1 156 156 PRO C C 13 177 0.08 . 1 . . . . 156 PRO C . 6688 1 1704 . 1 1 156 156 PRO CA C 13 65.2 0.31 . 1 . . . . 156 PRO CA . 6688 1 1705 . 1 1 156 156 PRO CB C 13 31.6 0.31 . 1 . . . . 156 PRO CB . 6688 1 1706 . 1 1 156 156 PRO CG C 13 28.56 0.31 . 1 . . . . 156 PRO CG . 6688 1 1707 . 1 1 156 156 PRO CD C 13 50.12 0.31 . 1 . . . . 156 PRO CD . 6688 1 1708 . 1 1 157 157 ASN H H 1 8.2 0.015 . 1 . . . . 157 ASN H . 6688 1 1709 . 1 1 157 157 ASN HA H 1 4.21 0.015 . 1 . . . . 157 ASN HA . 6688 1 1710 . 1 1 157 157 ASN HB2 H 1 2.74 0.02 . 4 . . . . 157 ASN HB2 . 6688 1 1711 . 1 1 157 157 ASN HD21 H 1 7.61 0.02 . 9 . . . . 157 ASN HD21 . 6688 1 1712 . 1 1 157 157 ASN HD22 H 1 6.81 0.02 . 9 . . . . 157 ASN HD22 . 6688 1 1713 . 1 1 157 157 ASN C C 13 175 0.08 . 1 . . . . 157 ASN C . 6688 1 1714 . 1 1 157 157 ASN CA C 13 53.75 0.31 . 1 . . . . 157 ASN CA . 6688 1 1715 . 1 1 157 157 ASN CB C 13 38.23 0.31 . 1 . . . . 157 ASN CB . 6688 1 1716 . 1 1 157 157 ASN N N 15 111.9 0.14 . 1 . . . . 157 ASN N . 6688 1 1717 . 1 1 157 157 ASN ND2 N 15 112.7 0.14 . 9 . . . . 157 ASN ND2 . 6688 1 1718 . 1 1 158 158 ALA H H 1 7.18 0.015 . 1 . . . . 158 ALA H . 6688 1 1719 . 1 1 158 158 ALA HA H 1 4.29 0.015 . 1 . . . . 158 ALA HA . 6688 1 1720 . 1 1 158 158 ALA HB1 H 1 1.39 0.02 . 1 . . . . 158 ALA HB . 6688 1 1721 . 1 1 158 158 ALA HB2 H 1 1.39 0.02 . 1 . . . . 158 ALA HB . 6688 1 1722 . 1 1 158 158 ALA HB3 H 1 1.39 0.02 . 1 . . . . 158 ALA HB . 6688 1 1723 . 1 1 158 158 ALA C C 13 178 0.08 . 1 . . . . 158 ALA C . 6688 1 1724 . 1 1 158 158 ALA CA C 13 52.82 0.31 . 1 . . . . 158 ALA CA . 6688 1 1725 . 1 1 158 158 ALA CB C 13 19.23 0.31 . 1 . . . . 158 ALA CB . 6688 1 1726 . 1 1 158 158 ALA N N 15 124.2 0.14 . 1 . . . . 158 ALA N . 6688 1 1727 . 1 1 159 159 GLY H H 1 7.94 0.015 . 1 . . . . 159 GLY H . 6688 1 1728 . 1 1 159 159 GLY HA2 H 1 3.19 0.015 . 1 . . . . 159 GLY HA2 . 6688 1 1729 . 1 1 159 159 GLY HA3 H 1 1.87 0.015 . 1 . . . . 159 GLY HA3 . 6688 1 1730 . 1 1 159 159 GLY C C 13 176.1 0.08 . 1 . . . . 159 GLY C . 6688 1 1731 . 1 1 159 159 GLY CA C 13 45.31 0.31 . 1 . . . . 159 GLY CA . 6688 1 1732 . 1 1 159 159 GLY N N 15 103.7 0.14 . 1 . . . . 159 GLY N . 6688 1 1733 . 1 1 160 160 LEU H H 1 7.08 0.015 . 1 . . . . 160 LEU H . 6688 1 1734 . 1 1 160 160 LEU HA H 1 4.29 0.015 . 1 . . . . 160 LEU HA . 6688 1 1735 . 1 1 160 160 LEU HB2 H 1 1.65 0.02 . 1 . . . . 160 LEU HB2 . 6688 1 1736 . 1 1 160 160 LEU HB3 H 1 1.46 0.02 . 1 . . . . 160 LEU HB3 . 6688 1 1737 . 1 1 160 160 LEU HG H 1 1.26 0.02 . 1 . . . . 160 LEU HG . 6688 1 1738 . 1 1 160 160 LEU HD11 H 1 0.59 0.02 . 2 . . . . 160 LEU HD1 . 6688 1 1739 . 1 1 160 160 LEU HD12 H 1 0.59 0.02 . 2 . . . . 160 LEU HD1 . 6688 1 1740 . 1 1 160 160 LEU HD13 H 1 0.59 0.02 . 2 . . . . 160 LEU HD1 . 6688 1 1741 . 1 1 160 160 LEU HD21 H 1 0.77 0.02 . 2 . . . . 160 LEU HD2 . 6688 1 1742 . 1 1 160 160 LEU HD22 H 1 0.77 0.02 . 2 . . . . 160 LEU HD2 . 6688 1 1743 . 1 1 160 160 LEU HD23 H 1 0.77 0.02 . 2 . . . . 160 LEU HD2 . 6688 1 1744 . 1 1 160 160 LEU C C 13 175.2 0.08 . 1 . . . . 160 LEU C . 6688 1 1745 . 1 1 160 160 LEU CA C 13 53.05 0.31 . 1 . . . . 160 LEU CA . 6688 1 1746 . 1 1 160 160 LEU CB C 13 40.88 0.31 . 1 . . . . 160 LEU CB . 6688 1 1747 . 1 1 160 160 LEU CG C 13 26.89 0.31 . 1 . . . . 160 LEU CG . 6688 1 1748 . 1 1 160 160 LEU CD1 C 13 23.45 0.31 . 1 . . . . 160 LEU CD1 . 6688 1 1749 . 1 1 160 160 LEU CD2 C 13 25.01 0.31 . 1 . . . . 160 LEU CD2 . 6688 1 1750 . 1 1 160 160 LEU N N 15 114.7 0.14 . 1 . . . . 160 LEU N . 6688 1 1751 . 1 1 161 161 ASP H H 1 7.11 0.015 . 1 . . . . 161 ASP H . 6688 1 1752 . 1 1 161 161 ASP HA H 1 5.01 0.015 . 1 . . . . 161 ASP HA . 6688 1 1753 . 1 1 161 161 ASP HB2 H 1 3.16 0.02 . 1 . . . . 161 ASP HB2 . 6688 1 1754 . 1 1 161 161 ASP HB3 H 1 2.65 0.02 . 1 . . . . 161 ASP HB3 . 6688 1 1755 . 1 1 161 161 ASP C C 13 175.4 0.08 . 1 . . . . 161 ASP C . 6688 1 1756 . 1 1 161 161 ASP CA C 13 50.63 0.31 . 1 . . . . 161 ASP CA . 6688 1 1757 . 1 1 161 161 ASP CB C 13 42.82 0.31 . 1 . . . . 161 ASP CB . 6688 1 1758 . 1 1 161 161 ASP N N 15 122.9 0.14 . 1 . . . . 161 ASP N . 6688 1 1759 . 1 1 162 162 PRO C C 13 177.2 0.08 . 1 . . . . 162 PRO C . 6688 1 1760 . 1 1 162 162 PRO CA C 13 62.92 0.31 . 1 . . . . 162 PRO CA . 6688 1 1761 . 1 1 162 162 PRO CB C 13 32.02 0.31 . 1 . . . . 162 PRO CB . 6688 1 1762 . 1 1 163 163 VAL H H 1 8.37 0.015 . 1 . . . . 163 VAL H . 6688 1 1763 . 1 1 163 163 VAL HA H 1 3.86 0.015 . 1 . . . . 163 VAL HA . 6688 1 1764 . 1 1 163 163 VAL HB H 1 2.07 0.02 . 1 . . . . 163 VAL HB . 6688 1 1765 . 1 1 163 163 VAL HG11 H 1 0.98 0.02 . 2 . . . . 163 VAL HG1 . 6688 1 1766 . 1 1 163 163 VAL HG12 H 1 0.98 0.02 . 2 . . . . 163 VAL HG1 . 6688 1 1767 . 1 1 163 163 VAL HG13 H 1 0.98 0.02 . 2 . . . . 163 VAL HG1 . 6688 1 1768 . 1 1 163 163 VAL HG21 H 1 0.88 0.02 . 2 . . . . 163 VAL HG2 . 6688 1 1769 . 1 1 163 163 VAL HG22 H 1 0.88 0.02 . 2 . . . . 163 VAL HG2 . 6688 1 1770 . 1 1 163 163 VAL HG23 H 1 0.88 0.02 . 2 . . . . 163 VAL HG2 . 6688 1 1771 . 1 1 163 163 VAL C C 13 175.8 0.08 . 1 . . . . 163 VAL C . 6688 1 1772 . 1 1 163 163 VAL CA C 13 62.77 0.31 . 1 . . . . 163 VAL CA . 6688 1 1773 . 1 1 163 163 VAL CB C 13 32.2 0.31 . 1 . . . . 163 VAL CB . 6688 1 1774 . 1 1 163 163 VAL CG1 C 13 21.58 0.31 . 1 . . . . 163 VAL CG1 . 6688 1 1775 . 1 1 163 163 VAL CG2 C 13 20.33 0.31 . 1 . . . . 163 VAL CG2 . 6688 1 1776 . 1 1 163 163 VAL N N 15 119.2 0.14 . 1 . . . . 163 VAL N . 6688 1 1777 . 1 1 164 164 ASN H H 1 7.92 0.015 . 1 . . . . 164 ASN H . 6688 1 1778 . 1 1 164 164 ASN HA H 1 4.89 0.015 . 1 . . . . 164 ASN HA . 6688 1 1779 . 1 1 164 164 ASN HB2 H 1 2.6 0.02 . 1 . . . . 164 ASN HB2 . 6688 1 1780 . 1 1 164 164 ASN C C 13 175 0.08 . 1 . . . . 164 ASN C . 6688 1 1781 . 1 1 164 164 ASN CA C 13 53.08 0.31 . 1 . . . . 164 ASN CA . 6688 1 1782 . 1 1 164 164 ASN CB C 13 38.85 0.31 . 1 . . . . 164 ASN CB . 6688 1 1783 . 1 1 164 164 ASN N N 15 116.3 0.14 . 1 . . . . 164 ASN N . 6688 1 1784 . 1 1 165 165 TYR H H 1 7.74 0.015 . 1 . . . . 165 TYR H . 6688 1 1785 . 1 1 165 165 TYR HA H 1 4.98 0.015 . 1 . . . . 165 TYR HA . 6688 1 1786 . 1 1 165 165 TYR HB2 H 1 3.77 0.02 . 1 . . . . 165 TYR HB2 . 6688 1 1787 . 1 1 165 165 TYR HB3 H 1 2.42 0.02 . 1 . . . . 165 TYR HB3 . 6688 1 1788 . 1 1 165 165 TYR HD1 H 1 7.45 0.02 . 3 . . . . 165 TYR HD1 . 6688 1 1789 . 1 1 165 165 TYR HE1 H 1 6.81 0.015 . 3 . . . . 165 TYR HE1 . 6688 1 1790 . 1 1 165 165 TYR C C 13 175.9 0.08 . 1 . . . . 165 TYR C . 6688 1 1791 . 1 1 165 165 TYR CA C 13 61.23 0.31 . 1 . . . . 165 TYR CA . 6688 1 1792 . 1 1 165 165 TYR CB C 13 38.76 0.31 . 1 . . . . 165 TYR CB . 6688 1 1793 . 1 1 165 165 TYR CD1 C 13 132.8 0.31 . 3 . . . . 165 TYR CD1 . 6688 1 1794 . 1 1 165 165 TYR CE1 C 13 118.69 0.31 . 3 . . . . 165 TYR CE1 . 6688 1 1795 . 1 1 165 165 TYR N N 15 120.2 0.14 . 1 . . . . 165 TYR N . 6688 1 1796 . 1 1 166 166 GLN H H 1 8.07 0.015 . 1 . . . . 166 GLN H . 6688 1 1797 . 1 1 166 166 GLN HA H 1 4.34 0.015 . 1 . . . . 166 GLN HA . 6688 1 1798 . 1 1 166 166 GLN HB2 H 1 2.11 0.02 . 1 . . . . 166 GLN HB2 . 6688 1 1799 . 1 1 166 166 GLN HB3 H 1 1.97 0.02 . 1 . . . . 166 GLN HB3 . 6688 1 1800 . 1 1 166 166 GLN HE21 H 1 6.89 0.02 . 1 . . . . 166 GLN HE21 . 6688 1 1801 . 1 1 166 166 GLN HE22 H 1 7.48 0.02 . 1 . . . . 166 GLN HE22 . 6688 1 1802 . 1 1 166 166 GLN C C 13 177.8 0.08 . 1 . . . . 166 GLN C . 6688 1 1803 . 1 1 166 166 GLN CA C 13 55.61 0.31 . 1 . . . . 166 GLN CA . 6688 1 1804 . 1 1 166 166 GLN CB C 13 29.44 0.31 . 1 . . . . 166 GLN CB . 6688 1 1805 . 1 1 166 166 GLN CG C 13 33.76 0.31 . 1 . . . . 166 GLN CG . 6688 1 1806 . 1 1 166 166 GLN N N 15 111.6 0.14 . 1 . . . . 166 GLN N . 6688 1 1807 . 1 1 166 166 GLN NE2 N 15 110.5 0.14 . 1 . . . . 166 GLN NE2 . 6688 1 1808 . 1 1 167 167 ASN H H 1 9.32 0.015 . 1 . . . . 167 ASN H . 6688 1 1809 . 1 1 167 167 ASN HA H 1 4.92 0.015 . 1 . . . . 167 ASN HA . 6688 1 1810 . 1 1 167 167 ASN HB2 H 1 3.22 0.015 . 1 . . . . 167 ASN HB2 . 6688 1 1811 . 1 1 167 167 ASN HB3 H 1 1.85 0.015 . 1 . . . . 167 ASN HB3 . 6688 1 1812 . 1 1 167 167 ASN C C 13 176.6 0.08 . 1 . . . . 167 ASN C . 6688 1 1813 . 1 1 167 167 ASN N N 15 117.8 0.14 . 1 . . . . 167 ASN N . 6688 1 1814 . 1 1 168 168 PHE C C 13 174.7 0.08 . 1 . . . . 168 PHE C . 6688 1 1815 . 1 1 168 168 PHE CA C 13 54.7 0.31 . 1 . . . . 168 PHE CA . 6688 1 1816 . 1 1 168 168 PHE CB C 13 42.16 0.31 . 1 . . . . 168 PHE CB . 6688 1 1817 . 1 1 168 168 PHE CD1 C 13 132.76 0.31 . 3 . . . . 168 PHE CD1 . 6688 1 1818 . 1 1 168 168 PHE CE1 C 13 131.2 0.31 . 3 . . . . 168 PHE CE1 . 6688 1 1819 . 1 1 168 168 PHE CZ C 13 129.01 0.31 . 1 . . . . 168 PHE CZ . 6688 1 1820 . 1 1 169 169 ALA H H 1 9.34 0.015 . 1 . . . . 169 ALA H . 6688 1 1821 . 1 1 169 169 ALA HA H 1 4.89 0.015 . 1 . . . . 169 ALA HA . 6688 1 1822 . 1 1 169 169 ALA HB1 H 1 0.63 0.02 . 1 . . . . 169 ALA HB . 6688 1 1823 . 1 1 169 169 ALA HB2 H 1 0.63 0.02 . 1 . . . . 169 ALA HB . 6688 1 1824 . 1 1 169 169 ALA HB3 H 1 0.63 0.02 . 1 . . . . 169 ALA HB . 6688 1 1825 . 1 1 169 169 ALA C C 13 175.1 0.08 . 1 . . . . 169 ALA C . 6688 1 1826 . 1 1 169 169 ALA CA C 13 50.62 0.31 . 1 . . . . 169 ALA CA . 6688 1 1827 . 1 1 169 169 ALA CB C 13 21.55 0.31 . 1 . . . . 169 ALA CB . 6688 1 1828 . 1 1 169 169 ALA N N 15 122.1 0.14 . 1 . . . . 169 ALA N . 6688 1 1829 . 1 1 170 170 VAL H H 1 7.03 0.015 . 1 . . . . 170 VAL H . 6688 1 1830 . 1 1 170 170 VAL HA H 1 4.29 0.015 . 1 . . . . 170 VAL HA . 6688 1 1831 . 1 1 170 170 VAL HB H 1 2.05 0.015 . 1 . . . . 170 VAL HB . 6688 1 1832 . 1 1 170 170 VAL HG11 H 1 0.8 0.02 . 2 . . . . 170 VAL HG1 . 6688 1 1833 . 1 1 170 170 VAL HG12 H 1 0.8 0.02 . 2 . . . . 170 VAL HG1 . 6688 1 1834 . 1 1 170 170 VAL HG13 H 1 0.8 0.02 . 2 . . . . 170 VAL HG1 . 6688 1 1835 . 1 1 170 170 VAL HG21 H 1 0.57 0.02 . 2 . . . . 170 VAL HG2 . 6688 1 1836 . 1 1 170 170 VAL HG22 H 1 0.57 0.02 . 2 . . . . 170 VAL HG2 . 6688 1 1837 . 1 1 170 170 VAL HG23 H 1 0.57 0.02 . 2 . . . . 170 VAL HG2 . 6688 1 1838 . 1 1 170 170 VAL C C 13 174.9 0.08 . 1 . . . . 170 VAL C . 6688 1 1839 . 1 1 170 170 VAL CA C 13 63.76 0.31 . 1 . . . . 170 VAL CA . 6688 1 1840 . 1 1 170 170 VAL CB C 13 31.25 0.31 . 1 . . . . 170 VAL CB . 6688 1 1841 . 1 1 170 170 VAL CG1 C 13 22.93 0.31 . 2 . . . . 170 VAL CG1 . 6688 1 1842 . 1 1 170 170 VAL CG2 C 13 25.74 0.31 . 2 . . . . 170 VAL CG2 . 6688 1 1843 . 1 1 170 170 VAL N N 15 122.8 0.14 . 1 . . . . 170 VAL N . 6688 1 1844 . 1 1 171 171 THR H H 1 8.52 0.015 . 1 . . . . 171 THR H . 6688 1 1845 . 1 1 171 171 THR HA H 1 5.05 0.015 . 1 . . . . 171 THR HA . 6688 1 1846 . 1 1 171 171 THR HB H 1 4.72 0.02 . 1 . . . . 171 THR HB . 6688 1 1847 . 1 1 171 171 THR HG21 H 1 1.03 0.02 . 1 . . . . 171 THR HG2 . 6688 1 1848 . 1 1 171 171 THR HG22 H 1 1.03 0.02 . 1 . . . . 171 THR HG2 . 6688 1 1849 . 1 1 171 171 THR HG23 H 1 1.03 0.02 . 1 . . . . 171 THR HG2 . 6688 1 1850 . 1 1 171 171 THR C C 13 175.6 0.08 . 1 . . . . 171 THR C . 6688 1 1851 . 1 1 171 171 THR CA C 13 59.05 0.31 . 1 . . . . 171 THR CA . 6688 1 1852 . 1 1 171 171 THR CB C 13 72.65 0.31 . 1 . . . . 171 THR CB . 6688 1 1853 . 1 1 171 171 THR CG2 C 13 17.2 0.31 . 1 . . . . 171 THR CG2 . 6688 1 1854 . 1 1 171 171 THR N N 15 116.8 0.14 . 1 . . . . 171 THR N . 6688 1 1855 . 1 1 172 172 ASN H H 1 9.66 0.015 . 1 . . . . 172 ASN H . 6688 1 1856 . 1 1 172 172 ASN HA H 1 4.48 0.015 . 1 . . . . 172 ASN HA . 6688 1 1857 . 1 1 172 172 ASN HB2 H 1 2.89 0.015 . 1 . . . . 172 ASN HB2 . 6688 1 1858 . 1 1 172 172 ASN C C 13 177.4 0.08 . 1 . . . . 172 ASN C . 6688 1 1859 . 1 1 172 172 ASN CA C 13 56.25 0.31 . 1 . . . . 172 ASN CA . 6688 1 1860 . 1 1 172 172 ASN CB C 13 37.18 0.31 . 1 . . . . 172 ASN CB . 6688 1 1861 . 1 1 172 172 ASN N N 15 120.5 0.14 . 1 . . . . 172 ASN N . 6688 1 1862 . 1 1 173 173 ASP H H 1 8.08 0.015 . 1 . . . . 173 ASP H . 6688 1 1863 . 1 1 173 173 ASP HA H 1 4.72 0.015 . 1 . . . . 173 ASP HA . 6688 1 1864 . 1 1 173 173 ASP HB2 H 1 2.8 0.02 . 1 . . . . 173 ASP HB2 . 6688 1 1865 . 1 1 173 173 ASP HB3 H 1 2.35 0.02 . 1 . . . . 173 ASP HB3 . 6688 1 1866 . 1 1 173 173 ASP C C 13 176.8 0.08 . 1 . . . . 173 ASP C . 6688 1 1867 . 1 1 173 173 ASP CA C 13 54.68 0.31 . 1 . . . . 173 ASP CA . 6688 1 1868 . 1 1 173 173 ASP CB C 13 42.19 0.31 . 1 . . . . 173 ASP CB . 6688 1 1869 . 1 1 173 173 ASP N N 15 115.3 0.14 . 1 . . . . 173 ASP N . 6688 1 1870 . 1 1 174 174 GLY H H 1 7.57 0.015 . 1 . . . . 174 GLY H . 6688 1 1871 . 1 1 174 174 GLY HA2 H 1 4.87 0.015 . 1 . . . . 174 GLY HA2 . 6688 1 1872 . 1 1 174 174 GLY HA3 H 1 3.42 0.015 . 1 . . . . 174 GLY HA3 . 6688 1 1873 . 1 1 174 174 GLY C C 13 176.1 0.08 . 1 . . . . 174 GLY C . 6688 1 1874 . 1 1 174 174 GLY CA C 13 45.29 0.31 . 1 . . . . 174 GLY CA . 6688 1 1875 . 1 1 174 174 GLY N N 15 107.9 0.14 . 1 . . . . 174 GLY N . 6688 1 1876 . 1 1 175 175 VAL H H 1 8.35 0.015 . 1 . . . . 175 VAL H . 6688 1 1877 . 1 1 175 175 VAL HA H 1 4.34 0.015 . 1 . . . . 175 VAL HA . 6688 1 1878 . 1 1 175 175 VAL HB H 1 1.52 0.02 . 1 . . . . 175 VAL HB . 6688 1 1879 . 1 1 175 175 VAL HG11 H 1 0.57 0.02 . 2 . . . . 175 VAL HG1 . 6688 1 1880 . 1 1 175 175 VAL HG12 H 1 0.57 0.02 . 2 . . . . 175 VAL HG1 . 6688 1 1881 . 1 1 175 175 VAL HG13 H 1 0.57 0.02 . 2 . . . . 175 VAL HG1 . 6688 1 1882 . 1 1 175 175 VAL HG21 H 1 -0.14 0.02 . 2 . . . . 175 VAL HG2 . 6688 1 1883 . 1 1 175 175 VAL HG22 H 1 -0.14 0.02 . 2 . . . . 175 VAL HG2 . 6688 1 1884 . 1 1 175 175 VAL HG23 H 1 -0.14 0.02 . 2 . . . . 175 VAL HG2 . 6688 1 1885 . 1 1 175 175 VAL C C 13 175.7 0.08 . 1 . . . . 175 VAL C . 6688 1 1886 . 1 1 175 175 VAL CA C 13 62.57 0.31 . 1 . . . . 175 VAL CA . 6688 1 1887 . 1 1 175 175 VAL CB C 13 32.51 0.31 . 1 . . . . 175 VAL CB . 6688 1 1888 . 1 1 175 175 VAL CG1 C 13 20.64 0.31 . 1 . . . . 175 VAL CG1 . 6688 1 1889 . 1 1 175 175 VAL CG2 C 13 20.64 0.31 . 1 . . . . 175 VAL CG2 . 6688 1 1890 . 1 1 175 175 VAL N N 15 119.9 0.14 . 1 . . . . 175 VAL N . 6688 1 1891 . 1 1 176 176 ILE H H 1 8.68 0.015 . 1 . . . . 176 ILE H . 6688 1 1892 . 1 1 176 176 ILE HA H 1 4.48 0.015 . 1 . . . . 176 ILE HA . 6688 1 1893 . 1 1 176 176 ILE HB H 1 1.07 0.02 . 1 . . . . 176 ILE HB . 6688 1 1894 . 1 1 176 176 ILE HG12 H 1 -0.28 0.02 . 1 . . . . 176 ILE HG12 . 6688 1 1895 . 1 1 176 176 ILE HG13 H 1 1.416 0.02 . 1 . . . . 176 ILE HG13 . 6688 1 1896 . 1 1 176 176 ILE HG21 H 1 0.49 0.02 . 1 . . . . 176 ILE HG2 . 6688 1 1897 . 1 1 176 176 ILE HG22 H 1 0.49 0.02 . 1 . . . . 176 ILE HG2 . 6688 1 1898 . 1 1 176 176 ILE HG23 H 1 0.49 0.02 . 1 . . . . 176 ILE HG2 . 6688 1 1899 . 1 1 176 176 ILE HD11 H 1 0.36 0.02 . 1 . . . . 176 ILE HD1 . 6688 1 1900 . 1 1 176 176 ILE HD12 H 1 0.36 0.02 . 1 . . . . 176 ILE HD1 . 6688 1 1901 . 1 1 176 176 ILE HD13 H 1 0.36 0.02 . 1 . . . . 176 ILE HD1 . 6688 1 1902 . 1 1 176 176 ILE C C 13 175 0.08 . 1 . . . . 176 ILE C . 6688 1 1903 . 1 1 176 176 ILE CA C 13 59.86 0.31 . 1 . . . . 176 ILE CA . 6688 1 1904 . 1 1 176 176 ILE CB C 13 39.23 0.31 . 1 . . . . 176 ILE CB . 6688 1 1905 . 1 1 176 176 ILE CG1 C 13 8.767 0.31 . 1 . . . . 176 ILE CG1 . 6688 1 1906 . 1 1 176 176 ILE CD1 C 13 25.018 0.31 . 1 . . . . 176 ILE CD1 . 6688 1 1907 . 1 1 176 176 ILE N N 15 127.6 0.14 . 1 . . . . 176 ILE N . 6688 1 1908 . 1 1 177 177 PHE H H 1 8.69 0.015 . 1 . . . . 177 PHE H . 6688 1 1909 . 1 1 177 177 PHE HA H 1 4.59 0.015 . 1 . . . . 177 PHE HA . 6688 1 1910 . 1 1 177 177 PHE HB2 H 1 2.32 0.02 . 1 . . . . 177 PHE HB2 . 6688 1 1911 . 1 1 177 177 PHE HD1 H 1 7.35 0.015 . 3 . . . . 177 PHE HD1 . 6688 1 1912 . 1 1 177 177 PHE HE1 H 1 7.51 0.015 . 3 . . . . 177 PHE HE1 . 6688 1 1913 . 1 1 177 177 PHE HZ H 1 7.14 0.015 . 1 . . . . 177 PHE HZ . 6688 1 1914 . 1 1 177 177 PHE C C 13 180.2 0.08 . 1 . . . . 177 PHE C . 6688 1 1915 . 1 1 177 177 PHE CA C 13 57.99 0.31 . 1 . . . . 177 PHE CA . 6688 1 1916 . 1 1 177 177 PHE CB C 13 43.78 0.31 . 1 . . . . 177 PHE CB . 6688 1 1917 . 1 1 177 177 PHE CD1 C 13 133.39 0.31 . 1 . . . . 177 PHE CD1 . 6688 1 1918 . 1 1 177 177 PHE CE1 C 13 131.74 0.31 . 1 . . . . 177 PHE CE1 . 6688 1 1919 . 1 1 177 177 PHE CZ C 13 129.02 0.31 . 1 . . . . 177 PHE CZ . 6688 1 1920 . 1 1 177 177 PHE N N 15 124.2 0.14 . 1 . . . . 177 PHE N . 6688 1 1921 . 1 1 178 178 PHE H H 1 8.16 0.015 . 1 . . . . 178 PHE H . 6688 1 1922 . 1 1 178 178 PHE HA H 1 4.35 0.015 . 1 . . . . 178 PHE HA . 6688 1 1923 . 1 1 178 178 PHE HB2 H 1 2.36 0.015 . 1 . . . . 178 PHE HB2 . 6688 1 1924 . 1 1 178 178 PHE HB3 H 1 2.16 0.015 . 1 . . . . 178 PHE HB3 . 6688 1 1925 . 1 1 178 178 PHE HD1 H 1 5.92 0.015 . 3 . . . . 178 PHE HD1 . 6688 1 1926 . 1 1 178 178 PHE HE1 H 1 6.56 0.015 . 3 . . . . 178 PHE HE1 . 6688 1 1927 . 1 1 178 178 PHE HZ H 1 6.56 0.015 . 1 . . . . 178 PHE HZ . 6688 1 1928 . 1 1 178 178 PHE C C 13 174.2 0.08 . 1 . . . . 178 PHE C . 6688 1 1929 . 1 1 178 178 PHE CA C 13 56.36 0.31 . 1 . . . . 178 PHE CA . 6688 1 1930 . 1 1 178 178 PHE CB C 13 39.35 0.31 . 1 . . . . 178 PHE CB . 6688 1 1931 . 1 1 178 178 PHE CD1 C 13 131.51 0.31 . 1 . . . . 178 PHE CD1 . 6688 1 1932 . 1 1 178 178 PHE CE1 C 13 131.51 0.31 . 1 . . . . 178 PHE CE1 . 6688 1 1933 . 1 1 178 178 PHE CZ C 13 129.9 0.31 . 1 . . . . 178 PHE CZ . 6688 1 1934 . 1 1 178 178 PHE N N 15 118.8 0.14 . 1 . . . . 178 PHE N . 6688 1 1935 . 1 1 179 179 PHE H H 1 9.08 0.015 . 1 . . . . 179 PHE H . 6688 1 1936 . 1 1 179 179 PHE HA H 1 5.29 0.015 . 1 . . . . 179 PHE HA . 6688 1 1937 . 1 1 179 179 PHE HB2 H 1 3.11 0.015 . 1 . . . . 179 PHE HB2 . 6688 1 1938 . 1 1 179 179 PHE HB3 H 1 2.75 0.015 . 1 . . . . 179 PHE HB3 . 6688 1 1939 . 1 1 179 179 PHE HD1 H 1 6.62 0.015 . 3 . . . . 179 PHE HD1 . 6688 1 1940 . 1 1 179 179 PHE HE1 H 1 7.12 0.015 . 3 . . . . 179 PHE HE1 . 6688 1 1941 . 1 1 179 179 PHE C C 13 175.8 0.08 . 1 . . . . 179 PHE C . 6688 1 1942 . 1 1 179 179 PHE CA C 13 56.56 0.31 . 1 . . . . 179 PHE CA . 6688 1 1943 . 1 1 179 179 PHE CB C 13 40.86 0.31 . 1 . . . . 179 PHE CB . 6688 1 1944 . 1 1 179 179 PHE CD1 C 13 132.14 0.31 . 1 . . . . 179 PHE CD1 . 6688 1 1945 . 1 1 179 179 PHE CE1 C 13 132.14 0.31 . 1 . . . . 179 PHE CE1 . 6688 1 1946 . 1 1 179 179 PHE N N 15 121.8 0.14 . 1 . . . . 179 PHE N . 6688 1 1947 . 1 1 180 180 ASN H H 1 8.73 0.015 . 1 . . . . 180 ASN H . 6688 1 1948 . 1 1 180 180 ASN HA H 1 5.6 0.015 . 1 . . . . 180 ASN HA . 6688 1 1949 . 1 1 180 180 ASN HB2 H 1 2.79 0.015 . 1 . . . . 180 ASN HB2 . 6688 1 1950 . 1 1 180 180 ASN HB3 H 1 2.6 0.015 . 1 . . . . 180 ASN HB3 . 6688 1 1951 . 1 1 180 180 ASN C C 13 173.3 0.08 . 1 . . . . 180 ASN C . 6688 1 1952 . 1 1 180 180 ASN CA C 13 51.42 0.31 . 1 . . . . 180 ASN CA . 6688 1 1953 . 1 1 180 180 ASN CB C 13 39.02 0.31 . 1 . . . . 180 ASN CB . 6688 1 1954 . 1 1 180 180 ASN N N 15 120.9 0.14 . 1 . . . . 180 ASN N . 6688 1 1955 . 1 1 181 181 PRO HA H 1 4.45 0.015 . 1 . . . . 181 PRO HA . 6688 1 1956 . 1 1 181 181 PRO HB2 H 1 2.31 0.02 . 1 . . . . 181 PRO HB2 . 6688 1 1957 . 1 1 181 181 PRO HB3 H 1 1.91 0.02 . 1 . . . . 181 PRO HB3 . 6688 1 1958 . 1 1 181 181 PRO HG2 H 1 2.04 0.02 . 4 . . . . 181 PRO HG2 . 6688 1 1959 . 1 1 181 181 PRO HD2 H 1 3.42 0.02 . 1 . . . . 181 PRO HD2 . 6688 1 1960 . 1 1 181 181 PRO HD3 H 1 3.39 0.02 . 1 . . . . 181 PRO HD3 . 6688 1 1961 . 1 1 181 181 PRO C C 13 177.8 0.08 . 1 . . . . 181 PRO C . 6688 1 1962 . 1 1 181 181 PRO CA C 13 63.27 0.31 . 1 . . . . 181 PRO CA . 6688 1 1963 . 1 1 181 181 PRO CB C 13 31.87 0.31 . 1 . . . . 181 PRO CB . 6688 1 1964 . 1 1 181 181 PRO CG C 13 26.68 0.31 . 1 . . . . 181 PRO CG . 6688 1 1965 . 1 1 181 181 PRO CD C 13 49.18 0.31 . 1 . . . . 181 PRO CD . 6688 1 1966 . 1 1 182 182 GLY H H 1 8.14 0.015 . 1 . . . . 182 GLY H . 6688 1 1967 . 1 1 182 182 GLY HA2 H 1 4.32 0.015 . 1 . . . . 182 GLY HA2 . 6688 1 1968 . 1 1 182 182 GLY HA3 H 1 3.8 0.015 . 1 . . . . 182 GLY HA3 . 6688 1 1969 . 1 1 182 182 GLY C C 13 175.9 0.08 . 1 . . . . 182 GLY C . 6688 1 1970 . 1 1 182 182 GLY CA C 13 45.62 0.31 . 1 . . . . 182 GLY CA . 6688 1 1971 . 1 1 182 182 GLY N N 15 112.4 0.14 . 1 . . . . 182 GLY N . 6688 1 1972 . 1 1 183 183 GLU H H 1 7.84 0.015 . 1 . . . . 183 GLU H . 6688 1 1973 . 1 1 183 183 GLU HA H 1 4.01 0.015 . 1 . . . . 183 GLU HA . 6688 1 1974 . 1 1 183 183 GLU HB2 H 1 1.95 0.02 . 1 . . . . 183 GLU HB2 . 6688 1 1975 . 1 1 183 183 GLU HG2 H 1 2.36 0.02 . 1 . . . . 183 GLU HG2 . 6688 1 1976 . 1 1 183 183 GLU C C 13 175.4 0.08 . 1 . . . . 183 GLU C . 6688 1 1977 . 1 1 183 183 GLU CA C 13 56.96 0.31 . 1 . . . . 183 GLU CA . 6688 1 1978 . 1 1 183 183 GLU CB C 13 29.68 0.31 . 1 . . . . 183 GLU CB . 6688 1 1979 . 1 1 183 183 GLU CG C 13 35.33 0.31 . 1 . . . . 183 GLU CG . 6688 1 1980 . 1 1 183 183 GLU N N 15 120.1 0.14 . 1 . . . . 183 GLU N . 6688 1 1981 . 1 1 184 184 LEU H H 1 8.12 0.015 . 1 . . . . 184 LEU H . 6688 1 1982 . 1 1 184 184 LEU HA H 1 4.34 0.015 . 1 . . . . 184 LEU HA . 6688 1 1983 . 1 1 184 184 LEU HB2 H 1 1.61 0.02 . 4 . . . . 184 LEU HB2 . 6688 1 1984 . 1 1 184 184 LEU HG H 1 1.62 0.02 . 1 . . . . 184 LEU HG . 6688 1 1985 . 1 1 184 184 LEU CA C 13 53.12 0.31 . 1 . . . . 184 LEU CA . 6688 1 1986 . 1 1 184 184 LEU CB C 13 40.71 0.31 . 1 . . . . 184 LEU CB . 6688 1 1987 . 1 1 184 184 LEU CG C 13 26.58 0.31 . 1 . . . . 184 LEU CG . 6688 1 1988 . 1 1 184 184 LEU CD1 C 13 24.49 0.31 . 1 . . . . 184 LEU CD1 . 6688 1 1989 . 1 1 184 184 LEU N N 15 122.9 0.14 . 1 . . . . 184 LEU N . 6688 1 1990 . 1 1 185 185 LEU H H 1 8.18 0.015 . 1 . . . . 185 LEU H . 6688 1 1991 . 1 1 185 185 LEU HA H 1 4.59 0.015 . 1 . . . . 185 LEU HA . 6688 1 1992 . 1 1 185 185 LEU HB2 H 1 1.54 0.02 . 1 . . . . 185 LEU HB2 . 6688 1 1993 . 1 1 185 185 LEU HG H 1 0.86 0.015 . 1 . . . . 185 LEU HG . 6688 1 1994 . 1 1 185 185 LEU HD11 H 1 0.74 0.015 . 1 . . . . 185 LEU HD1 . 6688 1 1995 . 1 1 185 185 LEU HD12 H 1 0.74 0.015 . 1 . . . . 185 LEU HD1 . 6688 1 1996 . 1 1 185 185 LEU HD13 H 1 0.74 0.015 . 1 . . . . 185 LEU HD1 . 6688 1 1997 . 1 1 185 185 LEU CA C 13 50.62 0.31 . 1 . . . . 185 LEU CA . 6688 1 1998 . 1 1 185 185 LEU CB C 13 42.81 0.31 . 1 . . . . 185 LEU CB . 6688 1 1999 . 1 1 185 185 LEU N N 15 124.7 0.14 . 1 . . . . 185 LEU N . 6688 1 2000 . 1 1 186 186 PRO HA H 1 1.4 0.015 . 1 . . . . 186 PRO HA . 6688 1 2001 . 1 1 186 186 PRO HB2 H 1 2.44 0.02 . 1 . . . . 186 PRO HB2 . 6688 1 2002 . 1 1 186 186 PRO HB3 H 1 2.04 0.02 . 1 . . . . 186 PRO HB3 . 6688 1 2003 . 1 1 186 186 PRO HG2 H 1 2.02 0.02 . 4 . . . . 186 PRO HG2 . 6688 1 2004 . 1 1 186 186 PRO HD2 H 1 3.44 0.02 . 1 . . . . 186 PRO HD2 . 6688 1 2005 . 1 1 186 186 PRO HD3 H 1 3.39 0.02 . 1 . . . . 186 PRO HD3 . 6688 1 2006 . 1 1 186 186 PRO C C 13 177.4 0.08 . 1 . . . . 186 PRO C . 6688 1 2007 . 1 1 186 186 PRO CA C 13 62.52 0.31 . 1 . . . . 186 PRO CA . 6688 1 2008 . 1 1 186 186 PRO CB C 13 32.17 0.31 . 1 . . . . 186 PRO CB . 6688 1 2009 . 1 1 186 186 PRO CG C 13 28.87 0.31 . 1 . . . . 186 PRO CG . 6688 1 2010 . 1 1 186 186 PRO CD C 13 49.39 0.31 . 1 . . . . 186 PRO CD . 6688 1 2011 . 1 1 187 187 GLU H H 1 8.93 0.015 . 1 . . . . 187 GLU H . 6688 1 2012 . 1 1 187 187 GLU HA H 1 4.78 0.015 . 1 . . . . 187 GLU HA . 6688 1 2013 . 1 1 187 187 GLU HB2 H 1 1.99 0.02 . 1 . . . . 187 GLU HB2 . 6688 1 2014 . 1 1 187 187 GLU HB3 H 1 1.96 0.02 . 1 . . . . 187 GLU HB3 . 6688 1 2015 . 1 1 187 187 GLU HG2 H 1 2.61 0.02 . 1 . . . . 187 GLU HG2 . 6688 1 2016 . 1 1 187 187 GLU C C 13 177.3 0.08 . 1 . . . . 187 GLU C . 6688 1 2017 . 1 1 187 187 GLU CA C 13 59.69 0.31 . 1 . . . . 187 GLU CA . 6688 1 2018 . 1 1 187 187 GLU CB C 13 29.38 0.31 . 1 . . . . 187 GLU CB . 6688 1 2019 . 1 1 187 187 GLU CG C 13 31.58 0.31 . 1 . . . . 187 GLU CG . 6688 1 2020 . 1 1 187 187 GLU N N 15 122.5 0.14 . 1 . . . . 187 GLU N . 6688 1 2021 . 1 1 188 188 ALA H H 1 8.22 0.015 . 1 . . . . 188 ALA H . 6688 1 2022 . 1 1 188 188 ALA HA H 1 4.14 0.015 . 1 . . . . 188 ALA HA . 6688 1 2023 . 1 1 188 188 ALA HB1 H 1 1.36 0.02 . 1 . . . . 188 ALA HB . 6688 1 2024 . 1 1 188 188 ALA HB2 H 1 1.36 0.02 . 1 . . . . 188 ALA HB . 6688 1 2025 . 1 1 188 188 ALA HB3 H 1 1.36 0.02 . 1 . . . . 188 ALA HB . 6688 1 2026 . 1 1 188 188 ALA C C 13 177.8 0.08 . 1 . . . . 188 ALA C . 6688 1 2027 . 1 1 188 188 ALA CA C 13 53.13 0.31 . 1 . . . . 188 ALA CA . 6688 1 2028 . 1 1 188 188 ALA CB C 13 18.76 0.31 . 1 . . . . 188 ALA CB . 6688 1 2029 . 1 1 188 188 ALA N N 15 118.8 0.14 . 1 . . . . 188 ALA N . 6688 1 2030 . 1 1 189 189 ALA H H 1 7.72 0.015 . 1 . . . . 189 ALA H . 6688 1 2031 . 1 1 189 189 ALA HA H 1 4.29 0.015 . 1 . . . . 189 ALA HA . 6688 1 2032 . 1 1 189 189 ALA HB1 H 1 1.48 0.02 . 1 . . . . 189 ALA HB . 6688 1 2033 . 1 1 189 189 ALA HB2 H 1 1.48 0.02 . 1 . . . . 189 ALA HB . 6688 1 2034 . 1 1 189 189 ALA HB3 H 1 1.48 0.02 . 1 . . . . 189 ALA HB . 6688 1 2035 . 1 1 189 189 ALA C C 13 176.5 0.08 . 1 . . . . 189 ALA C . 6688 1 2036 . 1 1 189 189 ALA CA C 13 52.5 0.31 . 1 . . . . 189 ALA CA . 6688 1 2037 . 1 1 189 189 ALA CB C 13 19.98 0.31 . 1 . . . . 189 ALA CB . 6688 1 2038 . 1 1 189 189 ALA N N 15 120.2 0.14 . 1 . . . . 189 ALA N . 6688 1 2039 . 1 1 190 190 GLY H H 1 7.9 0.015 . 1 . . . . 190 GLY H . 6688 1 2040 . 1 1 190 190 GLY HA2 H 1 4.26 0.015 . 1 . . . . 190 GLY HA2 . 6688 1 2041 . 1 1 190 190 GLY HA3 H 1 4.02 0.015 . 1 . . . . 190 GLY HA3 . 6688 1 2042 . 1 1 190 190 GLY C C 13 171.1 0.08 . 1 . . . . 190 GLY C . 6688 1 2043 . 1 1 190 190 GLY CA C 13 44.08 0.31 . 1 . . . . 190 GLY CA . 6688 1 2044 . 1 1 190 190 GLY N N 15 104.1 0.14 . 1 . . . . 190 GLY N . 6688 1 2045 . 1 1 191 191 PRO HA H 1 4.86 0.015 . 1 . . . . 191 PRO HA . 6688 1 2046 . 1 1 191 191 PRO HB2 H 1 2.01 0.02 . 1 . . . . 191 PRO HB2 . 6688 1 2047 . 1 1 191 191 PRO HB3 H 1 1.8 0.02 . 1 . . . . 191 PRO HB3 . 6688 1 2048 . 1 1 191 191 PRO HG2 H 1 1.77 0.02 . 4 . . . . 191 PRO HG2 . 6688 1 2049 . 1 1 191 191 PRO HD2 H 1 2.98 0.02 . 1 . . . . 191 PRO HD2 . 6688 1 2050 . 1 1 191 191 PRO HD3 H 1 2.94 0.02 . 1 . . . . 191 PRO HD3 . 6688 1 2051 . 1 1 191 191 PRO C C 13 177.1 0.08 . 1 . . . . 191 PRO C . 6688 1 2052 . 1 1 191 191 PRO CA C 13 62.75 0.31 . 1 . . . . 191 PRO CA . 6688 1 2053 . 1 1 191 191 PRO CB C 13 33.11 0.31 . 1 . . . . 191 PRO CB . 6688 1 2054 . 1 1 191 191 PRO CG C 13 27.93 0.31 . 1 . . . . 191 PRO CG . 6688 1 2055 . 1 1 191 191 PRO CD C 13 49.7 0.31 . 1 . . . . 191 PRO CD . 6688 1 2056 . 1 1 192 192 THR H H 1 8.83 0.015 . 1 . . . . 192 THR H . 6688 1 2057 . 1 1 192 192 THR HA H 1 4.95 0.015 . 1 . . . . 192 THR HA . 6688 1 2058 . 1 1 192 192 THR HB H 1 4.16 0.02 . 1 . . . . 192 THR HB . 6688 1 2059 . 1 1 192 192 THR HG21 H 1 1.17 0.02 . 1 . . . . 192 THR HG2 . 6688 1 2060 . 1 1 192 192 THR HG22 H 1 1.17 0.02 . 1 . . . . 192 THR HG2 . 6688 1 2061 . 1 1 192 192 THR HG23 H 1 1.17 0.02 . 1 . . . . 192 THR HG2 . 6688 1 2062 . 1 1 192 192 THR C C 13 172.1 0.08 . 1 . . . . 192 THR C . 6688 1 2063 . 1 1 192 192 THR CA C 13 60.33 0.31 . 1 . . . . 192 THR CA . 6688 1 2064 . 1 1 192 192 THR CB C 13 71.58 0.31 . 1 . . . . 192 THR CB . 6688 1 2065 . 1 1 192 192 THR CG2 C 13 20.9 0.31 . 1 . . . . 192 THR CG2 . 6688 1 2066 . 1 1 192 192 THR N N 15 113.7 0.14 . 1 . . . . 192 THR N . 6688 1 2067 . 1 1 193 193 GLN H H 1 8.52 0.015 . 1 . . . . 193 GLN H . 6688 1 2068 . 1 1 193 193 GLN HA H 1 5.4 0.015 . 1 . . . . 193 GLN HA . 6688 1 2069 . 1 1 193 193 GLN HB2 H 1 1.51 0.02 . 1 . . . . 193 GLN HB2 . 6688 1 2070 . 1 1 193 193 GLN HB3 H 1 1.08 0.02 . 1 . . . . 193 GLN HB3 . 6688 1 2071 . 1 1 193 193 GLN HG2 H 1 2.07 0.02 . 1 . . . . 193 GLN HG2 . 6688 1 2072 . 1 1 193 193 GLN HG3 H 1 1.81 0.02 . 1 . . . . 193 GLN HG3 . 6688 1 2073 . 1 1 193 193 GLN HE21 H 1 6.6 0.02 . 1 . . . . 193 GLN HE21 . 6688 1 2074 . 1 1 193 193 GLN HE22 H 1 7.1 0.02 . 1 . . . . 193 GLN HE22 . 6688 1 2075 . 1 1 193 193 GLN C C 13 174.4 0.08 . 1 . . . . 193 GLN C . 6688 1 2076 . 1 1 193 193 GLN CA C 13 53.12 0.31 . 1 . . . . 193 GLN CA . 6688 1 2077 . 1 1 193 193 GLN CB C 13 32.79 0.31 . 1 . . . . 193 GLN CB . 6688 1 2078 . 1 1 193 193 GLN CG C 13 32.62 0.31 . 1 . . . . 193 GLN CG . 6688 1 2079 . 1 1 193 193 GLN N N 15 117.5 0.14 . 1 . . . . 193 GLN N . 6688 1 2080 . 1 1 193 193 GLN NE2 N 15 108.7 0.14 . 1 . . . . 193 GLN NE2 . 6688 1 2081 . 1 1 194 194 VAL H H 1 8.61 0.015 . 1 . . . . 194 VAL H . 6688 1 2082 . 1 1 194 194 VAL HA H 1 4.29 0.015 . 1 . . . . 194 VAL HA . 6688 1 2083 . 1 1 194 194 VAL HB H 1 2.07 0.02 . 1 . . . . 194 VAL HB . 6688 1 2084 . 1 1 194 194 VAL HG11 H 1 1.12 0.02 . 2 . . . . 194 VAL HG1 . 6688 1 2085 . 1 1 194 194 VAL HG12 H 1 1.12 0.02 . 2 . . . . 194 VAL HG1 . 6688 1 2086 . 1 1 194 194 VAL HG13 H 1 1.12 0.02 . 2 . . . . 194 VAL HG1 . 6688 1 2087 . 1 1 194 194 VAL HG21 H 1 0.99 0.02 . 2 . . . . 194 VAL HG2 . 6688 1 2088 . 1 1 194 194 VAL HG22 H 1 0.99 0.02 . 2 . . . . 194 VAL HG2 . 6688 1 2089 . 1 1 194 194 VAL HG23 H 1 0.99 0.02 . 2 . . . . 194 VAL HG2 . 6688 1 2090 . 1 1 194 194 VAL C C 13 173.5 0.08 . 1 . . . . 194 VAL C . 6688 1 2091 . 1 1 194 194 VAL CA C 13 60.94 0.31 . 1 . . . . 194 VAL CA . 6688 1 2092 . 1 1 194 194 VAL CB C 13 37.5 0.31 . 1 . . . . 194 VAL CB . 6688 1 2093 . 1 1 194 194 VAL CG1 C 13 21.26 0.31 . 1 . . . . 194 VAL CG1 . 6688 1 2094 . 1 1 194 194 VAL CG2 C 13 21.26 0.31 . 1 . . . . 194 VAL CG2 . 6688 1 2095 . 1 1 194 194 VAL N N 15 119.1 0.14 . 1 . . . . 194 VAL N . 6688 1 2096 . 1 1 195 195 LEU H H 1 8.67 0.015 . 1 . . . . 195 LEU H . 6688 1 2097 . 1 1 195 195 LEU HA H 1 4.4 0.015 . 1 . . . . 195 LEU HA . 6688 1 2098 . 1 1 195 195 LEU HB2 H 1 1.77 0.02 . 1 . . . . 195 LEU HB2 . 6688 1 2099 . 1 1 195 195 LEU HB3 H 1 1.33 0.02 . 1 . . . . 195 LEU HB3 . 6688 1 2100 . 1 1 195 195 LEU HG H 1 1.01 0.02 . 1 . . . . 195 LEU HG . 6688 1 2101 . 1 1 195 195 LEU HD11 H 1 0.75 0.02 . 2 . . . . 195 LEU HD1 . 6688 1 2102 . 1 1 195 195 LEU HD12 H 1 0.75 0.02 . 2 . . . . 195 LEU HD1 . 6688 1 2103 . 1 1 195 195 LEU HD13 H 1 0.75 0.02 . 2 . . . . 195 LEU HD1 . 6688 1 2104 . 1 1 195 195 LEU HD21 H 1 0.44 0.02 . 2 . . . . 195 LEU HD2 . 6688 1 2105 . 1 1 195 195 LEU HD22 H 1 0.44 0.02 . 2 . . . . 195 LEU HD2 . 6688 1 2106 . 1 1 195 195 LEU HD23 H 1 0.44 0.02 . 2 . . . . 195 LEU HD2 . 6688 1 2107 . 1 1 195 195 LEU C C 13 174.5 0.08 . 1 . . . . 195 LEU C . 6688 1 2108 . 1 1 195 195 LEU CA C 13 54.38 0.31 . 1 . . . . 195 LEU CA . 6688 1 2109 . 1 1 195 195 LEU CB C 13 41.56 0.31 . 1 . . . . 195 LEU CB . 6688 1 2110 . 1 1 195 195 LEU CG C 13 27.2 0.31 . 1 . . . . 195 LEU CG . 6688 1 2111 . 1 1 195 195 LEU CD1 C 13 25.01 0.31 . 1 . . . . 195 LEU CD1 . 6688 1 2112 . 1 1 195 195 LEU CD2 C 13 23.14 0.31 . 1 . . . . 195 LEU CD2 . 6688 1 2113 . 1 1 195 195 LEU N N 15 128 0.14 . 1 . . . . 195 LEU N . 6688 1 2114 . 1 1 196 196 VAL H H 1 9.2 0.015 . 1 . . . . 196 VAL H . 6688 1 2115 . 1 1 196 196 VAL HA H 1 4.51 0.015 . 1 . . . . 196 VAL HA . 6688 1 2116 . 1 1 196 196 VAL HB H 1 2.52 0.02 . 1 . . . . 196 VAL HB . 6688 1 2117 . 1 1 196 196 VAL HG11 H 1 1.29 0.02 . 2 . . . . 196 VAL HG1 . 6688 1 2118 . 1 1 196 196 VAL HG12 H 1 1.29 0.02 . 2 . . . . 196 VAL HG1 . 6688 1 2119 . 1 1 196 196 VAL HG13 H 1 1.29 0.02 . 2 . . . . 196 VAL HG1 . 6688 1 2120 . 1 1 196 196 VAL HG21 H 1 1.13 0.02 . 2 . . . . 196 VAL HG2 . 6688 1 2121 . 1 1 196 196 VAL HG22 H 1 1.13 0.02 . 2 . . . . 196 VAL HG2 . 6688 1 2122 . 1 1 196 196 VAL HG23 H 1 1.13 0.02 . 2 . . . . 196 VAL HG2 . 6688 1 2123 . 1 1 196 196 VAL C C 13 173.5 0.08 . 1 . . . . 196 VAL C . 6688 1 2124 . 1 1 196 196 VAL CA C 13 59.39 0.31 . 1 . . . . 196 VAL CA . 6688 1 2125 . 1 1 196 196 VAL CB C 13 32.19 0.31 . 1 . . . . 196 VAL CB . 6688 1 2126 . 1 1 196 196 VAL CG1 C 13 22.21 0.31 . 1 . . . . 196 VAL CG1 . 6688 1 2127 . 1 1 196 196 VAL CG2 C 13 19.06 0.31 . 1 . . . . 196 VAL CG2 . 6688 1 2128 . 1 1 196 196 VAL N N 15 131 0.14 . 1 . . . . 196 VAL N . 6688 1 2129 . 1 1 197 197 PRO HA H 1 4.81 0.015 . 1 . . . . 197 PRO HA . 6688 1 2130 . 1 1 197 197 PRO HB2 H 1 2.02 0.02 . 1 . . . . 197 PRO HB2 . 6688 1 2131 . 1 1 197 197 PRO HB3 H 1 1.8 0.02 . 1 . . . . 197 PRO HB3 . 6688 1 2132 . 1 1 197 197 PRO HG2 H 1 2.02 0.02 . 4 . . . . 197 PRO HG2 . 6688 1 2133 . 1 1 197 197 PRO HD2 H 1 3.51 0.02 . 1 . . . . 197 PRO HD2 . 6688 1 2134 . 1 1 197 197 PRO HD3 H 1 2.89 0.02 . 1 . . . . 197 PRO HD3 . 6688 1 2135 . 1 1 197 197 PRO C C 13 177.5 0.08 . 1 . . . . 197 PRO C . 6688 1 2136 . 1 1 197 197 PRO CA C 13 62.81 0.31 . 1 . . . . 197 PRO CA . 6688 1 2137 . 1 1 197 197 PRO CB C 13 32.5 0.31 . 1 . . . . 197 PRO CB . 6688 1 2138 . 1 1 197 197 PRO CG C 13 27.93 0.31 . 1 . . . . 197 PRO CG . 6688 1 2139 . 1 1 197 197 PRO CD C 13 50.12 0.31 . 1 . . . . 197 PRO CD . 6688 1 2140 . 1 1 198 198 ARG H H 1 8.46 0.015 . 1 . . . . 198 ARG H . 6688 1 2141 . 1 1 198 198 ARG HA H 1 4.43 0.015 . 1 . . . . 198 ARG HA . 6688 1 2142 . 1 1 198 198 ARG HB2 H 1 2.13 0.02 . 1 . . . . 198 ARG HB2 . 6688 1 2143 . 1 1 198 198 ARG HB3 H 1 1.91 0.02 . 1 . . . . 198 ARG HB3 . 6688 1 2144 . 1 1 198 198 ARG HG2 H 1 1.71 0.02 . 1 . . . . 198 ARG HG2 . 6688 1 2145 . 1 1 198 198 ARG HG3 H 1 1.55 0.02 . 1 . . . . 198 ARG HG3 . 6688 1 2146 . 1 1 198 198 ARG HD2 H 1 3.34 0.02 . 4 . . . . 198 ARG HD2 . 6688 1 2147 . 1 1 198 198 ARG C C 13 177.4 0.08 . 1 . . . . 198 ARG C . 6688 1 2148 . 1 1 198 198 ARG CA C 13 59.91 0.31 . 1 . . . . 198 ARG CA . 6688 1 2149 . 1 1 198 198 ARG CB C 13 29.94 0.31 . 1 . . . . 198 ARG CB . 6688 1 2150 . 1 1 198 198 ARG CG C 13 27.93 0.31 . 1 . . . . 198 ARG CG . 6688 1 2151 . 1 1 198 198 ARG CD C 13 40.64 0.31 . 1 . . . . 198 ARG CD . 6688 1 2152 . 1 1 198 198 ARG N N 15 123.3 0.14 . 1 . . . . 198 ARG N . 6688 1 2153 . 1 1 199 199 SER H H 1 8.68 0.015 . 1 . . . . 199 SER H . 6688 1 2154 . 1 1 199 199 SER HA H 1 4.18 0.015 . 1 . . . . 199 SER HA . 6688 1 2155 . 1 1 199 199 SER HB2 H 1 3.93 0.02 . 1 . . . . 199 SER HB2 . 6688 1 2156 . 1 1 199 199 SER C C 13 175.8 0.08 . 1 . . . . 199 SER C . 6688 1 2157 . 1 1 199 199 SER CA C 13 60.41 0.31 . 1 . . . . 199 SER CA . 6688 1 2158 . 1 1 199 199 SER CB C 13 61.93 0.31 . 1 . . . . 199 SER CB . 6688 1 2159 . 1 1 199 199 SER N N 15 110.9 0.14 . 1 . . . . 199 SER N . 6688 1 2160 . 1 1 200 200 ALA H H 1 7.51 0.015 . 1 . . . . 200 ALA H . 6688 1 2161 . 1 1 200 200 ALA HA H 1 4.41 0.015 . 1 . . . . 200 ALA HA . 6688 1 2162 . 1 1 200 200 ALA HB1 H 1 1.48 0.02 . 1 . . . . 200 ALA HB . 6688 1 2163 . 1 1 200 200 ALA HB2 H 1 1.48 0.02 . 1 . . . . 200 ALA HB . 6688 1 2164 . 1 1 200 200 ALA HB3 H 1 1.48 0.02 . 1 . . . . 200 ALA HB . 6688 1 2165 . 1 1 200 200 ALA C C 13 179 0.08 . 1 . . . . 200 ALA C . 6688 1 2166 . 1 1 200 200 ALA CA C 13 53.42 0.31 . 1 . . . . 200 ALA CA . 6688 1 2167 . 1 1 200 200 ALA CB C 13 20.02 0.31 . 1 . . . . 200 ALA CB . 6688 1 2168 . 1 1 200 200 ALA N N 15 121.1 0.14 . 1 . . . . 200 ALA N . 6688 1 2169 . 1 1 201 201 ILE H H 1 7.14 0.015 . 1 . . . . 201 ILE H . 6688 1 2170 . 1 1 201 201 ILE HA H 1 4.78 0.015 . 1 . . . . 201 ILE HA . 6688 1 2171 . 1 1 201 201 ILE HB H 1 1.97 0.02 . 1 . . . . 201 ILE HB . 6688 1 2172 . 1 1 201 201 ILE HG12 H 1 1.43 0.02 . 1 . . . . 201 ILE HG12 . 6688 1 2173 . 1 1 201 201 ILE HG13 H 1 1.31 0.02 . 1 . . . . 201 ILE HG13 . 6688 1 2174 . 1 1 201 201 ILE HG21 H 1 0.93 0.02 . 1 . . . . 201 ILE HG2 . 6688 1 2175 . 1 1 201 201 ILE HG22 H 1 0.93 0.02 . 1 . . . . 201 ILE HG2 . 6688 1 2176 . 1 1 201 201 ILE HG23 H 1 0.93 0.02 . 1 . . . . 201 ILE HG2 . 6688 1 2177 . 1 1 201 201 ILE HD11 H 1 0.85 0.02 . 1 . . . . 201 ILE HD1 . 6688 1 2178 . 1 1 201 201 ILE HD12 H 1 0.85 0.02 . 1 . . . . 201 ILE HD1 . 6688 1 2179 . 1 1 201 201 ILE HD13 H 1 0.85 0.02 . 1 . . . . 201 ILE HD1 . 6688 1 2180 . 1 1 201 201 ILE C C 13 176.8 0.08 . 1 . . . . 201 ILE C . 6688 1 2181 . 1 1 201 201 ILE CA C 13 60.61 0.31 . 1 . . . . 201 ILE CA . 6688 1 2182 . 1 1 201 201 ILE CB C 13 40.93 0.31 . 1 . . . . 201 ILE CB . 6688 1 2183 . 1 1 201 201 ILE CG1 C 13 25.96 0.31 . 1 . . . . 201 ILE CG1 . 6688 1 2184 . 1 1 201 201 ILE CG2 C 13 14.07 0.31 . 1 . . . . 201 ILE CG2 . 6688 1 2185 . 1 1 201 201 ILE CD1 C 13 12.2 0.31 . 1 . . . . 201 ILE CD1 . 6688 1 2186 . 1 1 201 201 ILE N N 15 104.5 0.14 . 1 . . . . 201 ILE N . 6688 1 2187 . 1 1 202 202 ASP H H 1 8.34 0.015 . 1 . . . . 202 ASP H . 6688 1 2188 . 1 1 202 202 ASP HA H 1 4.28 0.015 . 1 . . . . 202 ASP HA . 6688 1 2189 . 1 1 202 202 ASP HB2 H 1 2.9 0.02 . 1 . . . . 202 ASP HB2 . 6688 1 2190 . 1 1 202 202 ASP HB3 H 1 2.69 0.02 . 1 . . . . 202 ASP HB3 . 6688 1 2191 . 1 1 202 202 ASP C C 13 178.1 0.08 . 1 . . . . 202 ASP C . 6688 1 2192 . 1 1 202 202 ASP CA C 13 58.02 0.31 . 1 . . . . 202 ASP CA . 6688 1 2193 . 1 1 202 202 ASP CB C 13 40.91 0.31 . 1 . . . . 202 ASP CB . 6688 1 2194 . 1 1 202 202 ASP N N 15 124.7 0.14 . 1 . . . . 202 ASP N . 6688 1 2195 . 1 1 203 203 SER H H 1 8.38 0.015 . 1 . . . . 203 SER H . 6688 1 2196 . 1 1 203 203 SER HA H 1 4.31 0.015 . 1 . . . . 203 SER HA . 6688 1 2197 . 1 1 203 203 SER HB2 H 1 4.02 0.02 . 1 . . . . 203 SER HB2 . 6688 1 2198 . 1 1 203 203 SER HB3 H 1 3.93 0.02 . 1 . . . . 203 SER HB3 . 6688 1 2199 . 1 1 203 203 SER C C 13 174.8 0.08 . 1 . . . . 203 SER C . 6688 1 2200 . 1 1 203 203 SER CA C 13 59.99 0.31 . 1 . . . . 203 SER CA . 6688 1 2201 . 1 1 203 203 SER CB C 13 62.8 0.31 . 1 . . . . 203 SER CB . 6688 1 2202 . 1 1 203 203 SER N N 15 111.9 0.14 . 1 . . . . 203 SER N . 6688 1 2203 . 1 1 204 204 MET H H 1 8.08 0.015 . 1 . . . . 204 MET H . 6688 1 2204 . 1 1 204 204 MET HA H 1 4.59 0.015 . 1 . . . . 204 MET HA . 6688 1 2205 . 1 1 204 204 MET HB2 H 1 2.35 0.02 . 4 . . . . 204 MET HB2 . 6688 1 2206 . 1 1 204 204 MET HG2 H 1 2.63 0.02 . 4 . . . . 204 MET HG2 . 6688 1 2207 . 1 1 204 204 MET C C 13 176.1 0.08 . 1 . . . . 204 MET C . 6688 1 2208 . 1 1 204 204 MET CA C 13 55.82 0.31 . 1 . . . . 204 MET CA . 6688 1 2209 . 1 1 204 204 MET CB C 13 35.62 0.31 . 1 . . . . 204 MET CB . 6688 1 2210 . 1 1 204 204 MET CG C 13 32.2 0.31 . 1 . . . . 204 MET CG . 6688 1 2211 . 1 1 204 204 MET N N 15 117.4 0.14 . 1 . . . . 204 MET N . 6688 1 2212 . 1 1 205 205 LEU H H 1 7.32 0.015 . 1 . . . . 205 LEU H . 6688 1 2213 . 1 1 205 205 LEU HA H 1 4.38 0.015 . 1 . . . . 205 LEU HA . 6688 1 2214 . 1 1 205 205 LEU HB2 H 1 1.85 0.02 . 1 . . . . 205 LEU HB2 . 6688 1 2215 . 1 1 205 205 LEU HB3 H 1 1.48 0.02 . 1 . . . . 205 LEU HB3 . 6688 1 2216 . 1 1 205 205 LEU HG H 1 1.65 0.02 . 1 . . . . 205 LEU HG . 6688 1 2217 . 1 1 205 205 LEU HD11 H 1 0.72 0.02 . 2 . . . . 205 LEU HD1 . 6688 1 2218 . 1 1 205 205 LEU HD12 H 1 0.72 0.02 . 2 . . . . 205 LEU HD1 . 6688 1 2219 . 1 1 205 205 LEU HD13 H 1 0.72 0.02 . 2 . . . . 205 LEU HD1 . 6688 1 2220 . 1 1 205 205 LEU HD21 H 1 0.25 0.02 . 2 . . . . 205 LEU HD2 . 6688 1 2221 . 1 1 205 205 LEU HD22 H 1 0.25 0.02 . 2 . . . . 205 LEU HD2 . 6688 1 2222 . 1 1 205 205 LEU HD23 H 1 0.25 0.02 . 2 . . . . 205 LEU HD2 . 6688 1 2223 . 1 1 205 205 LEU C C 13 176.9 0.08 . 1 . . . . 205 LEU C . 6688 1 2224 . 1 1 205 205 LEU CA C 13 55.62 0.31 . 1 . . . . 205 LEU CA . 6688 1 2225 . 1 1 205 205 LEU CB C 13 42.51 0.31 . 1 . . . . 205 LEU CB . 6688 1 2226 . 1 1 205 205 LEU CG C 13 26.58 0.31 . 1 . . . . 205 LEU CG . 6688 1 2227 . 1 1 205 205 LEU CD1 C 13 25.64 0.31 . 1 . . . . 205 LEU CD1 . 6688 1 2228 . 1 1 205 205 LEU CD2 C 13 19.39 0.31 . 1 . . . . 205 LEU CD2 . 6688 1 2229 . 1 1 205 205 LEU N N 15 121.9 0.14 . 1 . . . . 205 LEU N . 6688 1 2230 . 1 1 206 206 ALA H H 1 8.34 0.015 . 1 . . . . 206 ALA H . 6688 1 2231 . 1 1 206 206 ALA HA H 1 3.99 0.015 . 1 . . . . 206 ALA HA . 6688 1 2232 . 1 1 206 206 ALA HB1 H 1 1.07 0.02 . 1 . . . . 206 ALA HB . 6688 1 2233 . 1 1 206 206 ALA HB2 H 1 1.07 0.02 . 1 . . . . 206 ALA HB . 6688 1 2234 . 1 1 206 206 ALA HB3 H 1 1.07 0.02 . 1 . . . . 206 ALA HB . 6688 1 2235 . 1 1 206 206 ALA C C 13 183.3 0.08 . 1 . . . . 206 ALA C . 6688 1 2236 . 1 1 206 206 ALA CA C 13 54.07 0.31 . 1 . . . . 206 ALA CA . 6688 1 2237 . 1 1 206 206 ALA CB C 13 18.78 0.31 . 1 . . . . 206 ALA CB . 6688 1 2238 . 1 1 206 206 ALA N N 15 131.2 0.14 . 1 . . . . 206 ALA N . 6688 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 50 6688 1 2 91 6688 1 2 92 6688 1 2 93 6688 1 3 160 6688 1 4 167 6688 1 5 200 6688 1 6 266 6688 1 7 307 6688 1 8 334 6688 1 8 335 6688 1 8 336 6688 1 9 341 6688 1 10 391 6688 1 10 392 6688 1 11 534 6688 1 11 537 6688 1 12 578 6688 1 13 649 6688 1 14 889 6688 1 15 942 6688 1 15 943 6688 1 15 944 6688 1 15 945 6688 1 15 946 6688 1 15 947 6688 1 16 952 6688 1 17 958 6688 1 17 959 6688 1 17 960 6688 1 18 980 6688 1 18 981 6688 1 19 999 6688 1 20 1115 6688 1 20 1118 6688 1 21 1186 6688 1 22 1234 6688 1 23 1378 6688 1 24 1405 6688 1 24 1406 6688 1 25 1459 6688 1 25 1460 6688 1 25 1461 6688 1 26 1495 6688 1 27 1580 6688 1 27 1583 6688 1 28 1637 6688 1 28 1638 6688 1 29 1710 6688 1 30 1958 6688 1 31 1983 6688 1 32 2003 6688 1 33 2048 6688 1 34 2132 6688 1 35 2146 6688 1 36 2205 6688 1 36 2206 6688 1 37 57 6688 1 37 58 6688 1 37 68 6688 1 37 69 6688 1 38 59 6688 1 38 60 6688 1 38 70 6688 1 38 71 6688 1 39 64 6688 1 39 75 6688 1 40 233 6688 1 40 234 6688 1 40 235 6688 1 40 236 6688 1 40 237 6688 1 41 241 6688 1 42 242 6688 1 stop_ save_