data_16912 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16912 _Entry.Title ; Delta subunit of RNA polymerase from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-03 _Entry.Accession_date 2010-05-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Veronika Motackova . . . 16912 2 Jiri Novacek . . . 16912 3 Anna Zawadska-Kazimierczuk . . . 16912 4 Krzysztof Kazimierczuk . . . 16912 5 Lukas Zidek . . . 16912 6 Hana Sanderova . . . 16912 7 Libor Krasny . . . 16912 8 Wiktor Kozminski . . . 16912 9 Vladimir Sklenar . . . 16912 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16912 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 752 16912 '15N chemical shifts' 183 16912 '1H chemical shifts' 1191 16912 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 3 . . 2013-06-04 2010-05-03 update BMRB 'update related entry' 16912 2 . . 2010-10-26 2010-05-03 update BMRB 'update entry citation' 16912 1 . . 2010-10-05 2010-05-03 original author 'original release' 16912 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19284 'T1, T2, and NOE data' 16912 PDB 2M4K 'BMRB Entry Tracking System' 16912 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16912 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20890634 _Citation.Full_citation . _Citation.Title 'Strategy for complete NMR assignment of disordered proteins with highly repetitive sequences based on resolution-enhanced 5D experiments.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 48 _Citation.Journal_issue 3 _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 169 _Citation.Page_last 177 _Citation.Year 2010 _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 Veronika Motakova . . . 16912 1 2 Jii Novaek . . . 16912 1 3 Anna Zawadzka-Kazimierczuk . . . 16912 1 4 Krzysztof Kazimierczuk . . . 16912 1 5 Luka Zidek . . . 16912 1 6 Hana Sanderova . . . 16912 1 7 Libor Krasny . . . 16912 1 8 Wiktor Komiski . . . 16912 1 9 Vladimir Sklena . . . 16912 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'delta subunit' 16912 1 'gram-positive bacteria' 16912 1 nmr 16912 1 'NMR assignment' 16912 1 'RNA polymerase' 16912 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16912 _Assembly.ID 1 _Assembly.Name delta _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20400 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 delta 1 $delta A . yes native no no . . . 16912 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_delta _Entity.Sf_category entity _Entity.Sf_framecode delta _Entity.Entry_ID 16912 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name delta _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 ; GIKQYSQEELKEMALVEIAH ELFEEHKKPVPFQELLNEIA SLLGVKKEELGDRIAQFYTD LNIDGRFLALSDQTWGLRSW YPYDQLDEETQPTVKAKKKK AKKAVEEDLDLDEFEEIDED DLDLDEVEEELDLEADDFDE EDLDEDDDDLEIEEDIIDED DEDYDDEEEEIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16635 . N_delta . . . . . 52.91 99 100.00 100.00 1.86e-58 . . . . 16912 1 2 no BMRB 18903 . delta . . . . . 100.00 172 100.00 100.00 9.30e-109 . . . . 16912 1 3 no BMRB 19284 . delta . . . . . 100.00 172 100.00 100.00 9.30e-109 . . . . 16912 1 4 no PDB 2KRC . "Solution Structure Of The N-Terminal Domain Of Bacillus Subtilis Delta Subunit Of Rna Polymerase" . . . . . 52.91 99 100.00 100.00 1.86e-58 . . . . 16912 1 5 no PDB 4NC7 . "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With I3c And Nickel Ions" . . . . . 52.91 99 100.00 100.00 1.86e-58 . . . . 16912 1 6 no PDB 4NC8 . "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With Nickel Ions" . . . . . 52.91 99 100.00 100.00 1.86e-58 . . . . 16912 1 7 no DBJ BAM55799 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7613]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 8 no DBJ BAM59811 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7003]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 9 no EMBL CAA89869 . "RNA polymerase delta subunit [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 10 no EMBL CAB15744 . "RNA polymerase (delta subunit) [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 11 no EMBL CCU60814 . "DNA-directed RNA polymerase delta subunit [Bacillus subtilis E1]" . . . . . 100.00 173 99.42 100.00 2.21e-108 . . . . 16912 1 12 no EMBL CEI59524 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 13 no EMBL CEJ79381 . "DNA-directed RNA polymerase subunit delta [Bacillus sp.]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 14 no GB AAA22710 . "rpoE protein (ttg start codon) [Bacillus subtilis]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 15 no GB ADM39706 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 63.37 173 98.17 98.17 1.29e-59 . . . . 16912 1 16 no GB ADV94526 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BSn5]" . . . . . 100.00 173 98.84 100.00 3.46e-108 . . . . 16912 1 17 no GB AEP92774 . "hypothetical protein I33_3861 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 173 98.84 99.42 9.54e-108 . . . . 16912 1 18 no GB AFI30331 . "DNA-directed RNA polymerase subunit delta [Bacillus sp. JS]" . . . . . 100.00 173 98.84 100.00 3.46e-108 . . . . 16912 1 19 no REF NP_391597 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 20 no REF WP_003221959 . "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" . . . . . 63.37 173 98.17 98.17 1.29e-59 . . . . 16912 1 21 no REF WP_003227609 . "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" . . . . . 100.00 173 99.42 100.00 2.21e-108 . . . . 16912 1 22 no REF WP_003235832 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" . . . . . 63.37 173 99.08 99.08 1.49e-61 . . . . 16912 1 23 no REF WP_003243661 . "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 1 24 no SP P12464 . "RecName: Full=DNA-directed RNA polymerase subunit delta; AltName: Full=RNAP delta factor" . . . . . 100.00 173 100.00 100.00 6.57e-109 . . . . 16912 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 2 GLY . 16912 1 2 3 ILE . 16912 1 3 4 LYS . 16912 1 4 5 GLN . 16912 1 5 6 TYR . 16912 1 6 7 SER . 16912 1 7 8 GLN . 16912 1 8 9 GLU . 16912 1 9 10 GLU . 16912 1 10 11 LEU . 16912 1 11 12 LYS . 16912 1 12 13 GLU . 16912 1 13 14 MET . 16912 1 14 15 ALA . 16912 1 15 16 LEU . 16912 1 16 17 VAL . 16912 1 17 18 GLU . 16912 1 18 19 ILE . 16912 1 19 20 ALA . 16912 1 20 21 HIS . 16912 1 21 22 GLU . 16912 1 22 23 LEU . 16912 1 23 24 PHE . 16912 1 24 25 GLU . 16912 1 25 26 GLU . 16912 1 26 27 HIS . 16912 1 27 28 LYS . 16912 1 28 29 LYS . 16912 1 29 30 PRO . 16912 1 30 31 VAL . 16912 1 31 32 PRO . 16912 1 32 33 PHE . 16912 1 33 34 GLN . 16912 1 34 35 GLU . 16912 1 35 36 LEU . 16912 1 36 37 LEU . 16912 1 37 38 ASN . 16912 1 38 39 GLU . 16912 1 39 40 ILE . 16912 1 40 41 ALA . 16912 1 41 42 SER . 16912 1 42 43 LEU . 16912 1 43 44 LEU . 16912 1 44 45 GLY . 16912 1 45 46 VAL . 16912 1 46 47 LYS . 16912 1 47 48 LYS . 16912 1 48 49 GLU . 16912 1 49 50 GLU . 16912 1 50 51 LEU . 16912 1 51 52 GLY . 16912 1 52 53 ASP . 16912 1 53 54 ARG . 16912 1 54 55 ILE . 16912 1 55 56 ALA . 16912 1 56 57 GLN . 16912 1 57 58 PHE . 16912 1 58 59 TYR . 16912 1 59 60 THR . 16912 1 60 61 ASP . 16912 1 61 62 LEU . 16912 1 62 63 ASN . 16912 1 63 64 ILE . 16912 1 64 65 ASP . 16912 1 65 66 GLY . 16912 1 66 67 ARG . 16912 1 67 68 PHE . 16912 1 68 69 LEU . 16912 1 69 70 ALA . 16912 1 70 71 LEU . 16912 1 71 72 SER . 16912 1 72 73 ASP . 16912 1 73 74 GLN . 16912 1 74 75 THR . 16912 1 75 76 TRP . 16912 1 76 77 GLY . 16912 1 77 78 LEU . 16912 1 78 79 ARG . 16912 1 79 80 SER . 16912 1 80 81 TRP . 16912 1 81 82 TYR . 16912 1 82 83 PRO . 16912 1 83 84 TYR . 16912 1 84 85 ASP . 16912 1 85 86 GLN . 16912 1 86 87 LEU . 16912 1 87 88 ASP . 16912 1 88 89 GLU . 16912 1 89 90 GLU . 16912 1 90 91 THR . 16912 1 91 92 GLN . 16912 1 92 93 PRO . 16912 1 93 94 THR . 16912 1 94 95 VAL . 16912 1 95 96 LYS . 16912 1 96 97 ALA . 16912 1 97 98 LYS . 16912 1 98 99 LYS . 16912 1 99 100 LYS . 16912 1 100 101 LYS . 16912 1 101 102 ALA . 16912 1 102 103 LYS . 16912 1 103 104 LYS . 16912 1 104 105 ALA . 16912 1 105 106 VAL . 16912 1 106 107 GLU . 16912 1 107 108 GLU . 16912 1 108 109 ASP . 16912 1 109 110 LEU . 16912 1 110 111 ASP . 16912 1 111 112 LEU . 16912 1 112 113 ASP . 16912 1 113 114 GLU . 16912 1 114 115 PHE . 16912 1 115 116 GLU . 16912 1 116 117 GLU . 16912 1 117 118 ILE . 16912 1 118 119 ASP . 16912 1 119 120 GLU . 16912 1 120 121 ASP . 16912 1 121 122 ASP . 16912 1 122 123 LEU . 16912 1 123 124 ASP . 16912 1 124 125 LEU . 16912 1 125 126 ASP . 16912 1 126 127 GLU . 16912 1 127 128 VAL . 16912 1 128 129 GLU . 16912 1 129 130 GLU . 16912 1 130 131 GLU . 16912 1 131 132 LEU . 16912 1 132 133 ASP . 16912 1 133 134 LEU . 16912 1 134 135 GLU . 16912 1 135 136 ALA . 16912 1 136 137 ASP . 16912 1 137 138 ASP . 16912 1 138 139 PHE . 16912 1 139 140 ASP . 16912 1 140 141 GLU . 16912 1 141 142 GLU . 16912 1 142 143 ASP . 16912 1 143 144 LEU . 16912 1 144 145 ASP . 16912 1 145 146 GLU . 16912 1 146 147 ASP . 16912 1 147 148 ASP . 16912 1 148 149 ASP . 16912 1 149 150 ASP . 16912 1 150 151 LEU . 16912 1 151 152 GLU . 16912 1 152 153 ILE . 16912 1 153 154 GLU . 16912 1 154 155 GLU . 16912 1 155 156 ASP . 16912 1 156 157 ILE . 16912 1 157 158 ILE . 16912 1 158 159 ASP . 16912 1 159 160 GLU . 16912 1 160 161 ASP . 16912 1 161 162 ASP . 16912 1 162 163 GLU . 16912 1 163 164 ASP . 16912 1 164 165 TYR . 16912 1 165 166 ASP . 16912 1 166 167 ASP . 16912 1 167 168 GLU . 16912 1 168 169 GLU . 16912 1 169 170 GLU . 16912 1 170 171 GLU . 16912 1 171 172 ILE . 16912 1 172 173 LYS . 16912 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 . GLY 1 1 16912 1 . ILE 2 2 16912 1 . LYS 3 3 16912 1 . GLN 4 4 16912 1 . TYR 5 5 16912 1 . SER 6 6 16912 1 . GLN 7 7 16912 1 . GLU 8 8 16912 1 . GLU 9 9 16912 1 . LEU 10 10 16912 1 . LYS 11 11 16912 1 . GLU 12 12 16912 1 . MET 13 13 16912 1 . ALA 14 14 16912 1 . LEU 15 15 16912 1 . VAL 16 16 16912 1 . GLU 17 17 16912 1 . ILE 18 18 16912 1 . ALA 19 19 16912 1 . HIS 20 20 16912 1 . GLU 21 21 16912 1 . LEU 22 22 16912 1 . PHE 23 23 16912 1 . GLU 24 24 16912 1 . GLU 25 25 16912 1 . HIS 26 26 16912 1 . LYS 27 27 16912 1 . LYS 28 28 16912 1 . PRO 29 29 16912 1 . VAL 30 30 16912 1 . PRO 31 31 16912 1 . PHE 32 32 16912 1 . GLN 33 33 16912 1 . GLU 34 34 16912 1 . LEU 35 35 16912 1 . LEU 36 36 16912 1 . ASN 37 37 16912 1 . GLU 38 38 16912 1 . ILE 39 39 16912 1 . ALA 40 40 16912 1 . SER 41 41 16912 1 . LEU 42 42 16912 1 . LEU 43 43 16912 1 . GLY 44 44 16912 1 . VAL 45 45 16912 1 . LYS 46 46 16912 1 . LYS 47 47 16912 1 . GLU 48 48 16912 1 . GLU 49 49 16912 1 . LEU 50 50 16912 1 . GLY 51 51 16912 1 . ASP 52 52 16912 1 . ARG 53 53 16912 1 . ILE 54 54 16912 1 . ALA 55 55 16912 1 . GLN 56 56 16912 1 . PHE 57 57 16912 1 . TYR 58 58 16912 1 . THR 59 59 16912 1 . ASP 60 60 16912 1 . LEU 61 61 16912 1 . ASN 62 62 16912 1 . ILE 63 63 16912 1 . ASP 64 64 16912 1 . GLY 65 65 16912 1 . ARG 66 66 16912 1 . PHE 67 67 16912 1 . LEU 68 68 16912 1 . ALA 69 69 16912 1 . LEU 70 70 16912 1 . SER 71 71 16912 1 . ASP 72 72 16912 1 . GLN 73 73 16912 1 . THR 74 74 16912 1 . TRP 75 75 16912 1 . GLY 76 76 16912 1 . LEU 77 77 16912 1 . ARG 78 78 16912 1 . SER 79 79 16912 1 . TRP 80 80 16912 1 . TYR 81 81 16912 1 . PRO 82 82 16912 1 . TYR 83 83 16912 1 . ASP 84 84 16912 1 . GLN 85 85 16912 1 . LEU 86 86 16912 1 . ASP 87 87 16912 1 . GLU 88 88 16912 1 . GLU 89 89 16912 1 . THR 90 90 16912 1 . GLN 91 91 16912 1 . PRO 92 92 16912 1 . THR 93 93 16912 1 . VAL 94 94 16912 1 . LYS 95 95 16912 1 . ALA 96 96 16912 1 . LYS 97 97 16912 1 . LYS 98 98 16912 1 . LYS 99 99 16912 1 . LYS 100 100 16912 1 . ALA 101 101 16912 1 . LYS 102 102 16912 1 . LYS 103 103 16912 1 . ALA 104 104 16912 1 . VAL 105 105 16912 1 . GLU 106 106 16912 1 . GLU 107 107 16912 1 . ASP 108 108 16912 1 . LEU 109 109 16912 1 . ASP 110 110 16912 1 . LEU 111 111 16912 1 . ASP 112 112 16912 1 . GLU 113 113 16912 1 . PHE 114 114 16912 1 . GLU 115 115 16912 1 . GLU 116 116 16912 1 . ILE 117 117 16912 1 . ASP 118 118 16912 1 . GLU 119 119 16912 1 . ASP 120 120 16912 1 . ASP 121 121 16912 1 . LEU 122 122 16912 1 . ASP 123 123 16912 1 . LEU 124 124 16912 1 . ASP 125 125 16912 1 . GLU 126 126 16912 1 . VAL 127 127 16912 1 . GLU 128 128 16912 1 . GLU 129 129 16912 1 . GLU 130 130 16912 1 . LEU 131 131 16912 1 . ASP 132 132 16912 1 . LEU 133 133 16912 1 . GLU 134 134 16912 1 . ALA 135 135 16912 1 . ASP 136 136 16912 1 . ASP 137 137 16912 1 . PHE 138 138 16912 1 . ASP 139 139 16912 1 . GLU 140 140 16912 1 . GLU 141 141 16912 1 . ASP 142 142 16912 1 . LEU 143 143 16912 1 . ASP 144 144 16912 1 . GLU 145 145 16912 1 . ASP 146 146 16912 1 . ASP 147 147 16912 1 . ASP 148 148 16912 1 . ASP 149 149 16912 1 . LEU 150 150 16912 1 . GLU 151 151 16912 1 . ILE 152 152 16912 1 . GLU 153 153 16912 1 . GLU 154 154 16912 1 . ASP 155 155 16912 1 . ILE 156 156 16912 1 . ILE 157 157 16912 1 . ASP 158 158 16912 1 . GLU 159 159 16912 1 . ASP 160 160 16912 1 . ASP 161 161 16912 1 . GLU 162 162 16912 1 . ASP 163 163 16912 1 . TYR 164 164 16912 1 . ASP 165 165 16912 1 . ASP 166 166 16912 1 . GLU 167 167 16912 1 . GLU 168 168 16912 1 . GLU 169 169 16912 1 . GLU 170 170 16912 1 . ILE 171 171 16912 1 . LYS 172 172 16912 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 16912 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $delta . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 16912 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 16912 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $delta . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET22b . . . . . . 16912 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16912 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 delta '[U-100% 13C; U-100% 15N]' . . 1 $delta . . 0.7 . . mM . . . . 16912 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 16912 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16912 1 4 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 16912 1 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16912 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16912 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16912 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 30 . mM 16912 1 pH 6.6 . pH 16912 1 pressure 1 . atm 16912 1 temperature 301 . K 16912 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16912 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16912 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16912 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16912 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16912 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16912 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16912 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16912 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16912 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16912 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16912 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16912 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16912 1 2 spectrometer_2 Varian 'Uniform NMR System' . 700 . . . 16912 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16912 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 9 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 10 '3D CBCACON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 11 '3D CBCANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16912 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16912 1 13 '5D HN_CA_CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16912 1 14 '5D HabCabCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16912 1 15 '5D H_CCtocsy_CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16912 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16912 _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 internal indirect 0.251449530 . . . . . . . . . 16912 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16912 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16912 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16912 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16912 1 2 '3D CBCA(CO)NH' . . . 16912 1 3 '3D HNCACB' . . . 16912 1 6 '3D HCCH-TOCSY' . . . 16912 1 7 '3D HNCO' . . . 16912 1 8 '3D 1H-13C NOESY' . . . 16912 1 9 '2D CON' . . . 16912 1 10 '3D CBCACON' . . . 16912 1 11 '3D CBCANCO' . . . 16912 1 13 '5D HN_CA_CONH' . . . 16912 1 14 '5D HabCabCONH' . . . 16912 1 15 '5D H_CCtocsy_CONH' . . . 16912 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.937 0.010 . 2 2 . . . 2 G HA2 . 16912 1 2 . 1 1 1 1 GLY HA3 H 1 3.974 0.005 . 2 2 . . . 2 G HA3 . 16912 1 3 . 1 1 1 1 GLY C C 13 171.615 0.006 . 1 5 . . . 2 G C . 16912 1 4 . 1 1 1 1 GLY CA C 13 43.643 0.028 . 1 4 . . . 2 G CA . 16912 1 5 . 1 1 2 2 ILE H H 1 8.987 0.003 . 1 6 . . . 3 I H . 16912 1 6 . 1 1 2 2 ILE HA H 1 4.109 0.006 . 1 11 . . . 3 I HA . 16912 1 7 . 1 1 2 2 ILE HB H 1 1.829 0.006 . 1 11 . . . 3 I HB . 16912 1 8 . 1 1 2 2 ILE HD11 H 1 0.855 0.004 . . 10 . . . 3 I HD1# . 16912 1 9 . 1 1 2 2 ILE HD12 H 1 0.855 0.004 . . 10 . . . 3 I HD1# . 16912 1 10 . 1 1 2 2 ILE HD13 H 1 0.855 0.004 . . 10 . . . 3 I HD1# . 16912 1 11 . 1 1 2 2 ILE HG12 H 1 1.505 0.006 . 2 10 . . . 3 I HG12 . 16912 1 12 . 1 1 2 2 ILE HG13 H 1 1.292 0.005 . 2 10 . . . 3 I HG13 . 16912 1 13 . 1 1 2 2 ILE HG21 H 1 0.908 0.006 . . 12 . . . 3 I HG2# . 16912 1 14 . 1 1 2 2 ILE HG22 H 1 0.908 0.006 . . 12 . . . 3 I HG2# . 16912 1 15 . 1 1 2 2 ILE HG23 H 1 0.908 0.006 . . 12 . . . 3 I HG2# . 16912 1 16 . 1 1 2 2 ILE C C 13 176.338 0.002 . 1 5 . . . 3 I C . 16912 1 17 . 1 1 2 2 ILE CA C 13 61.616 0.025 . 1 8 . . . 3 I CA . 16912 1 18 . 1 1 2 2 ILE CB C 13 38.968 0.070 . 1 8 . . . 3 I CB . 16912 1 19 . 1 1 2 2 ILE CD1 C 13 14.085 0.020 . 1 5 . . . 3 I CD1 . 16912 1 20 . 1 1 2 2 ILE CG1 C 13 28.250 0.026 . 1 10 . . . 3 I CG1 . 16912 1 21 . 1 1 2 2 ILE CG2 C 13 18.540 0.038 . 1 6 . . . 3 I CG2 . 16912 1 22 . 1 1 2 2 ILE N N 15 121.384 0.014 . 1 9 . . . 3 I N . 16912 1 23 . 1 1 3 3 LYS H H 1 8.426 0.002 . 1 7 . . . 4 K H . 16912 1 24 . 1 1 3 3 LYS HA H 1 4.165 0.008 . 1 9 . . . 4 K HA . 16912 1 25 . 1 1 3 3 LYS HB2 H 1 1.784 0.006 . 2 9 . . . 4 K HB2 . 16912 1 26 . 1 1 3 3 LYS HB3 H 1 1.690 0.010 . 2 5 . . . 4 K HB3 . 16912 1 27 . 1 1 3 3 LYS HD2 H 1 1.639 0.010 . 2 2 . . . 4 K QD . 16912 1 28 . 1 1 3 3 LYS HD3 H 1 1.639 0.010 . 2 2 . . . 4 K QD . 16912 1 29 . 1 1 3 3 LYS HE2 H 1 2.953 0.015 . 2 7 . . . 4 K QE . 16912 1 30 . 1 1 3 3 LYS HE3 H 1 2.953 0.015 . 2 7 . . . 4 K QE . 16912 1 31 . 1 1 3 3 LYS HG2 H 1 1.444 0.007 . 2 6 . . . 4 K HG2 . 16912 1 32 . 1 1 3 3 LYS HG3 H 1 1.361 0.008 . 2 6 . . . 4 K HG3 . 16912 1 33 . 1 1 3 3 LYS C C 13 176.730 0.003 . 1 3 . . . 4 K C . 16912 1 34 . 1 1 3 3 LYS CA C 13 57.507 0.080 . 1 7 . . . 4 K CA . 16912 1 35 . 1 1 3 3 LYS CB C 13 31.547 0.039 . 1 11 . . . 4 K CB . 16912 1 36 . 1 1 3 3 LYS CD C 13 29.177 0.000 . 1 1 . . . 4 K CD . 16912 1 37 . 1 1 3 3 LYS CE C 13 42.126 0.029 . 1 2 . . . 4 K CE . 16912 1 38 . 1 1 3 3 LYS CG C 13 25.537 0.017 . 1 6 . . . 4 K CG . 16912 1 39 . 1 1 3 3 LYS N N 15 119.855 0.088 . 1 10 . . . 4 K N . 16912 1 40 . 1 1 4 4 GLN H H 1 7.830 0.002 . 1 6 . . . 5 Q H . 16912 1 41 . 1 1 4 4 GLN HA H 1 4.197 0.007 . 1 5 . . . 5 Q HA . 16912 1 42 . 1 1 4 4 GLN HB2 H 1 1.887 0.009 . 2 6 . . . 5 Q QB . 16912 1 43 . 1 1 4 4 GLN HB3 H 1 1.887 0.009 . 2 6 . . . 5 Q QB . 16912 1 44 . 1 1 4 4 GLN HE21 H 1 7.298 0.000 . 2 1 . . . 5 Q HE21 . 16912 1 45 . 1 1 4 4 GLN HE22 H 1 6.753 0.000 . 2 1 . . . 5 Q HE22 . 16912 1 46 . 1 1 4 4 GLN HG2 H 1 2.114 0.003 . 2 7 . . . 5 Q HG2 . 16912 1 47 . 1 1 4 4 GLN HG3 H 1 1.809 0.006 . 2 6 . . . 5 Q HG3 . 16912 1 48 . 1 1 4 4 GLN C C 13 175.887 0.007 . 1 3 . . . 5 Q C . 16912 1 49 . 1 1 4 4 GLN CA C 13 56.424 0.036 . 1 3 . . . 5 Q CA . 16912 1 50 . 1 1 4 4 GLN CB C 13 28.676 0.068 . 1 5 . . . 5 Q CB . 16912 1 51 . 1 1 4 4 GLN CG C 13 34.003 0.032 . 1 7 . . . 5 Q CG . 16912 1 52 . 1 1 4 4 GLN N N 15 117.164 0.034 . 1 7 . . . 5 Q N . 16912 1 53 . 1 1 4 4 GLN NE2 N 15 112.794 0.015 . 1 2 . . . 5 Q NE2 . 16912 1 54 . 1 1 5 5 TYR H H 1 7.308 0.010 . 1 6 . . . 6 Y H . 16912 1 55 . 1 1 5 5 TYR HA H 1 4.749 0.003 . 1 2 . . . 6 Y HA . 16912 1 56 . 1 1 5 5 TYR HB2 H 1 3.105 0.005 . 2 2 . . . 6 Y HB2 . 16912 1 57 . 1 1 5 5 TYR HB3 H 1 2.729 0.003 . 2 2 . . . 6 Y HB3 . 16912 1 58 . 1 1 5 5 TYR HD1 H 1 7.109 0.001 . 3 2 . . . 6 Y QD . 16912 1 59 . 1 1 5 5 TYR HD2 H 1 7.109 0.001 . 3 2 . . . 6 Y QD . 16912 1 60 . 1 1 5 5 TYR HE1 H 1 6.705 0.000 . 3 2 . . . 6 Y QE . 16912 1 61 . 1 1 5 5 TYR HE2 H 1 6.705 0.000 . 3 2 . . . 6 Y QE . 16912 1 62 . 1 1 5 5 TYR C C 13 176.187 0.001 . 1 3 . . . 6 Y C . 16912 1 63 . 1 1 5 5 TYR CA C 13 57.392 0.063 . 1 4 . . . 6 Y CA . 16912 1 64 . 1 1 5 5 TYR CB C 13 39.767 0.027 . 1 3 . . . 6 Y CB . 16912 1 65 . 1 1 5 5 TYR CD1 C 13 133.004 0.000 . . 1 . . . 6 Y CD# . 16912 1 66 . 1 1 5 5 TYR CD2 C 13 133.004 0.000 . . 1 . . . 6 Y CD# . 16912 1 67 . 1 1 5 5 TYR CE1 C 13 118.145 0.000 . . 1 . . . 6 Y CE# . 16912 1 68 . 1 1 5 5 TYR CE2 C 13 118.145 0.000 . . 1 . . . 6 Y CE# . 16912 1 69 . 1 1 5 5 TYR N N 15 119.761 0.033 . 1 7 . . . 6 Y N . 16912 1 70 . 1 1 6 6 SER H H 1 9.306 0.007 . 1 7 . . . 7 S H . 16912 1 71 . 1 1 6 6 SER HA H 1 4.593 0.003 . 1 4 . . . 7 S HA . 16912 1 72 . 1 1 6 6 SER HB2 H 1 4.415 0.003 . 2 2 . . . 7 S HB2 . 16912 1 73 . 1 1 6 6 SER HB3 H 1 4.074 0.007 . 2 2 . . . 7 S HB3 . 16912 1 74 . 1 1 6 6 SER C C 13 175.154 0.003 . 1 3 . . . 7 S C . 16912 1 75 . 1 1 6 6 SER CA C 13 57.083 0.061 . 1 4 . . . 7 S CA . 16912 1 76 . 1 1 6 6 SER CB C 13 65.419 0.027 . 1 4 . . . 7 S CB . 16912 1 77 . 1 1 6 6 SER N N 15 118.900 0.019 . 1 8 . . . 7 S N . 16912 1 78 . 1 1 7 7 GLN H H 1 9.045 0.001 . 1 7 . . . 8 Q H . 16912 1 79 . 1 1 7 7 GLN HA H 1 3.944 0.007 . 1 6 . . . 8 Q HA . 16912 1 80 . 1 1 7 7 GLN HB2 H 1 2.144 0.005 . 2 4 . . . 8 Q HB2 . 16912 1 81 . 1 1 7 7 GLN HB3 H 1 2.074 0.003 . 2 4 . . . 8 Q HB3 . 16912 1 82 . 1 1 7 7 GLN HG2 H 1 2.526 0.003 . 2 8 . . . 8 Q HG2 . 16912 1 83 . 1 1 7 7 GLN HG3 H 1 2.348 0.004 . 2 8 . . . 8 Q HG3 . 16912 1 84 . 1 1 7 7 GLN C C 13 178.131 0.010 . 1 3 . . . 8 Q C . 16912 1 85 . 1 1 7 7 GLN CA C 13 59.936 0.025 . 1 6 . . . 8 Q CA . 16912 1 86 . 1 1 7 7 GLN CB C 13 28.782 0.002 . 1 3 . . . 8 Q CB . 16912 1 87 . 1 1 7 7 GLN CG C 13 34.572 0.038 . 1 9 . . . 8 Q CG . 16912 1 88 . 1 1 7 7 GLN N N 15 121.386 0.017 . 1 8 . . . 8 Q N . 16912 1 89 . 1 1 8 8 GLU H H 1 8.554 0.002 . 1 6 . . . 9 E H . 16912 1 90 . 1 1 8 8 GLU HA H 1 3.898 0.002 . 1 8 . . . 9 E HA . 16912 1 91 . 1 1 8 8 GLU HB2 H 1 2.020 0.003 . 2 5 . . . 9 E HB2 . 16912 1 92 . 1 1 8 8 GLU HB3 H 1 1.953 0.006 . 2 5 . . . 9 E HB3 . 16912 1 93 . 1 1 8 8 GLU HG2 H 1 2.394 0.003 . 2 9 . . . 9 E HG2 . 16912 1 94 . 1 1 8 8 GLU HG3 H 1 2.282 0.004 . 2 5 . . . 9 E HG3 . 16912 1 95 . 1 1 8 8 GLU C C 13 179.116 0.002 . 1 3 . . . 9 E C . 16912 1 96 . 1 1 8 8 GLU CA C 13 60.149 0.020 . 1 5 . . . 9 E CA . 16912 1 97 . 1 1 8 8 GLU CB C 13 28.741 0.117 . 1 6 . . . 9 E CB . 16912 1 98 . 1 1 8 8 GLU CG C 13 36.980 0.045 . 1 8 . . . 9 E CG . 16912 1 99 . 1 1 8 8 GLU N N 15 117.117 0.024 . 1 7 . . . 9 E N . 16912 1 100 . 1 1 9 9 GLU H H 1 7.672 0.001 . 1 6 . . . 10 E H . 16912 1 101 . 1 1 9 9 GLU HA H 1 3.963 0.003 . 1 5 . . . 10 E HA . 16912 1 102 . 1 1 9 9 GLU HB2 H 1 2.420 0.004 . 2 7 . . . 10 E HB2 . 16912 1 103 . 1 1 9 9 GLU HB3 H 1 1.916 0.000 . 2 3 . . . 10 E HB3 . 16912 1 104 . 1 1 9 9 GLU HG2 H 1 2.302 0.007 . 2 5 . . . 10 E QG . 16912 1 105 . 1 1 9 9 GLU HG3 H 1 2.302 0.007 . 2 5 . . . 10 E QG . 16912 1 106 . 1 1 9 9 GLU C C 13 180.113 0.003 . 1 3 . . . 10 E C . 16912 1 107 . 1 1 9 9 GLU CA C 13 58.920 0.010 . 1 4 . . . 10 E CA . 16912 1 108 . 1 1 9 9 GLU CB C 13 30.118 0.051 . 1 5 . . . 10 E CB . 16912 1 109 . 1 1 9 9 GLU CG C 13 37.590 0.028 . 1 3 . . . 10 E CG . 16912 1 110 . 1 1 9 9 GLU N N 15 119.170 0.034 . 1 7 . . . 10 E N . 16912 1 111 . 1 1 10 10 LEU H H 1 8.178 0.002 . 1 5 . . . 11 L H . 16912 1 112 . 1 1 10 10 LEU HA H 1 3.906 0.005 . 1 11 . . . 11 L HA . 16912 1 113 . 1 1 10 10 LEU HB2 H 1 1.843 0.003 . 2 7 . . . 11 L HB2 . 16912 1 114 . 1 1 10 10 LEU HB3 H 1 1.233 0.004 . 2 4 . . . 11 L HB3 . 16912 1 115 . 1 1 10 10 LEU HD11 H 1 0.816 0.003 . 2 7 . . . 11 L HD1# . 16912 1 116 . 1 1 10 10 LEU HD12 H 1 0.816 0.003 . 2 7 . . . 11 L HD1# . 16912 1 117 . 1 1 10 10 LEU HD13 H 1 0.816 0.003 . 2 7 . . . 11 L HD1# . 16912 1 118 . 1 1 10 10 LEU HD21 H 1 0.752 0.004 . 2 8 . . . 11 L HD2# . 16912 1 119 . 1 1 10 10 LEU HD22 H 1 0.752 0.004 . 2 8 . . . 11 L HD2# . 16912 1 120 . 1 1 10 10 LEU HD23 H 1 0.752 0.004 . 2 8 . . . 11 L HD2# . 16912 1 121 . 1 1 10 10 LEU HG H 1 1.700 0.004 . 1 7 . . . 11 L HG . 16912 1 122 . 1 1 10 10 LEU C C 13 178.904 0.002 . 1 3 . . . 11 L C . 16912 1 123 . 1 1 10 10 LEU CA C 13 57.895 0.070 . 1 7 . . . 11 L CA . 16912 1 124 . 1 1 10 10 LEU CB C 13 42.264 0.063 . 1 6 . . . 11 L CB . 16912 1 125 . 1 1 10 10 LEU CD1 C 13 26.346 0.023 . 2 5 . . . 11 L CD1 . 16912 1 126 . 1 1 10 10 LEU CD2 C 13 24.159 0.046 . 2 4 . . . 11 L CD2 . 16912 1 127 . 1 1 10 10 LEU CG C 13 26.912 0.037 . 1 3 . . . 11 L CG . 16912 1 128 . 1 1 10 10 LEU N N 15 120.130 0.021 . 1 6 . . . 11 L N . 16912 1 129 . 1 1 11 11 LYS H H 1 7.654 0.003 . 1 6 . . . 12 K H . 16912 1 130 . 1 1 11 11 LYS HA H 1 3.846 0.007 . 1 11 . . . 12 K HA . 16912 1 131 . 1 1 11 11 LYS HB2 H 1 1.896 0.007 . 2 7 . . . 12 K HB2 . 16912 1 132 . 1 1 11 11 LYS HB3 H 1 1.853 0.003 . 2 7 . . . 12 K HB3 . 16912 1 133 . 1 1 11 11 LYS HD2 H 1 1.659 0.003 . 2 7 . . . 12 K QD . 16912 1 134 . 1 1 11 11 LYS HD3 H 1 1.659 0.003 . 2 7 . . . 12 K QD . 16912 1 135 . 1 1 11 11 LYS HE2 H 1 2.927 0.011 . 2 5 . . . 12 K QE . 16912 1 136 . 1 1 11 11 LYS HE3 H 1 2.927 0.011 . 2 5 . . . 12 K QE . 16912 1 137 . 1 1 11 11 LYS HG2 H 1 1.643 0.002 . 2 6 . . . 12 K HG2 . 16912 1 138 . 1 1 11 11 LYS HG3 H 1 1.443 0.005 . 2 5 . . . 12 K HG3 . 16912 1 139 . 1 1 11 11 LYS C C 13 177.280 0.003 . 1 3 . . . 12 K C . 16912 1 140 . 1 1 11 11 LYS CA C 13 59.001 0.017 . 1 7 . . . 12 K CA . 16912 1 141 . 1 1 11 11 LYS CB C 13 32.663 0.044 . 1 8 . . . 12 K CB . 16912 1 142 . 1 1 11 11 LYS CD C 13 29.707 0.084 . 1 3 . . . 12 K CD . 16912 1 143 . 1 1 11 11 LYS CE C 13 42.198 0.000 . 1 1 . . . 12 K CE . 16912 1 144 . 1 1 11 11 LYS CG C 13 25.967 0.034 . 1 9 . . . 12 K CG . 16912 1 145 . 1 1 11 11 LYS N N 15 115.124 0.020 . 1 7 . . . 12 K N . 16912 1 146 . 1 1 12 12 GLU H H 1 7.086 0.003 . 1 7 . . . 13 E H . 16912 1 147 . 1 1 12 12 GLU HA H 1 4.356 0.005 . 1 5 . . . 13 E HA . 16912 1 148 . 1 1 12 12 GLU HB2 H 1 2.232 0.001 . 2 4 . . . 13 E HB2 . 16912 1 149 . 1 1 12 12 GLU HB3 H 1 1.821 0.006 . 2 2 . . . 13 E HB3 . 16912 1 150 . 1 1 12 12 GLU HG2 H 1 2.348 0.013 . 2 5 . . . 13 E HG2 . 16912 1 151 . 1 1 12 12 GLU HG3 H 1 2.224 0.001 . 2 2 . . . 13 E HG3 . 16912 1 152 . 1 1 12 12 GLU C C 13 176.471 0.005 . 1 3 . . . 13 E C . 16912 1 153 . 1 1 12 12 GLU CA C 13 55.489 0.019 . 1 3 . . . 13 E CA . 16912 1 154 . 1 1 12 12 GLU CB C 13 30.349 0.079 . 1 6 . . . 13 E CB . 16912 1 155 . 1 1 12 12 GLU CG C 13 35.831 0.039 . 1 3 . . . 13 E CG . 16912 1 156 . 1 1 12 12 GLU N N 15 115.054 0.020 . 1 8 . . . 13 E N . 16912 1 157 . 1 1 13 13 MET H H 1 7.299 0.001 . 1 6 . . . 14 M H . 16912 1 158 . 1 1 13 13 MET HA H 1 4.166 0.007 . 1 4 . . . 14 M HA . 16912 1 159 . 1 1 13 13 MET HB2 H 1 1.926 0.002 . 2 6 . . . 14 M QB . 16912 1 160 . 1 1 13 13 MET HB3 H 1 1.926 0.002 . 2 6 . . . 14 M QB . 16912 1 161 . 1 1 13 13 MET HG2 H 1 2.559 0.003 . 2 8 . . . 14 M HG2 . 16912 1 162 . 1 1 13 13 MET HG3 H 1 2.409 0.003 . 2 8 . . . 14 M HG3 . 16912 1 163 . 1 1 13 13 MET C C 13 175.453 0.000 . 1 3 . . . 14 M C . 16912 1 164 . 1 1 13 13 MET CA C 13 56.011 0.019 . 1 4 . . . 14 M CA . 16912 1 165 . 1 1 13 13 MET CB C 13 34.577 0.083 . 1 5 . . . 14 M CB . 16912 1 166 . 1 1 13 13 MET CG C 13 32.166 0.040 . 1 8 . . . 14 M CG . 16912 1 167 . 1 1 13 13 MET N N 15 120.415 0.026 . 1 7 . . . 14 M N . 16912 1 168 . 1 1 14 14 ALA H H 1 8.638 0.002 . 1 7 . . . 15 A H . 16912 1 169 . 1 1 14 14 ALA HA H 1 4.274 0.004 . 1 4 . . . 15 A HA . 16912 1 170 . 1 1 14 14 ALA HB1 H 1 1.508 0.001 . 1 2 . . . 15 A HB# . 16912 1 171 . 1 1 14 14 ALA HB2 H 1 1.508 0.001 . 1 2 . . . 15 A HB# . 16912 1 172 . 1 1 14 14 ALA HB3 H 1 1.508 0.001 . 1 2 . . . 15 A HB# . 16912 1 173 . 1 1 14 14 ALA C C 13 179.511 0.015 . 1 3 . . . 15 A C . 16912 1 174 . 1 1 14 14 ALA CA C 13 51.904 0.025 . 1 3 . . . 15 A CA . 16912 1 175 . 1 1 14 14 ALA CB C 13 18.802 0.022 . 1 2 . . . 15 A CB . 16912 1 176 . 1 1 14 14 ALA N N 15 124.804 0.023 . 1 8 . . . 15 A N . 16912 1 177 . 1 1 15 15 LEU H H 1 8.485 0.007 . 1 5 . . . 16 L H . 16912 1 178 . 1 1 15 15 LEU HA H 1 3.648 0.003 . 1 12 . . . 16 L HA . 16912 1 179 . 1 1 15 15 LEU HB2 H 1 1.416 0.009 . 2 9 . . . 16 L HB2 . 16912 1 180 . 1 1 15 15 LEU HB3 H 1 0.338 0.003 . 2 10 . . . 16 L HB3 . 16912 1 181 . 1 1 15 15 LEU HD11 H 1 0.554 0.004 . 2 12 . . . 16 L HD1# . 16912 1 182 . 1 1 15 15 LEU HD12 H 1 0.554 0.004 . 2 12 . . . 16 L HD1# . 16912 1 183 . 1 1 15 15 LEU HD13 H 1 0.554 0.004 . 2 12 . . . 16 L HD1# . 16912 1 184 . 1 1 15 15 LEU HD21 H 1 0.510 0.002 . 2 12 . . . 16 L HD2# . 16912 1 185 . 1 1 15 15 LEU HD22 H 1 0.510 0.002 . 2 12 . . . 16 L HD2# . 16912 1 186 . 1 1 15 15 LEU HD23 H 1 0.510 0.002 . 2 12 . . . 16 L HD2# . 16912 1 187 . 1 1 15 15 LEU HG H 1 1.653 0.004 . 1 9 . . . 16 L HG . 16912 1 188 . 1 1 15 15 LEU C C 13 179.319 0.002 . 1 3 . . . 16 L C . 16912 1 189 . 1 1 15 15 LEU CA C 13 58.917 0.014 . 1 7 . . . 16 L CA . 16912 1 190 . 1 1 15 15 LEU CB C 13 39.859 0.042 . 1 12 . . . 16 L CB . 16912 1 191 . 1 1 15 15 LEU CD1 C 13 25.129 0.027 . 2 6 . . . 16 L CD1 . 16912 1 192 . 1 1 15 15 LEU CD2 C 13 22.753 0.035 . 2 6 . . . 16 L CD2 . 16912 1 193 . 1 1 15 15 LEU CG C 13 27.352 0.015 . 1 4 . . . 16 L CG . 16912 1 194 . 1 1 15 15 LEU N N 15 123.066 0.071 . 1 6 . . . 16 L N . 16912 1 195 . 1 1 16 16 VAL H H 1 8.893 0.003 . 1 6 . . . 17 V H . 16912 1 196 . 1 1 16 16 VAL HA H 1 3.911 0.003 . 1 6 . . . 17 V HA . 16912 1 197 . 1 1 16 16 VAL HB H 1 2.263 0.002 . 1 4 . . . 17 V HB . 16912 1 198 . 1 1 16 16 VAL HG11 H 1 1.006 0.001 . . 4 . . . 17 V HG# . 16912 1 199 . 1 1 16 16 VAL HG12 H 1 1.006 0.001 . . 4 . . . 17 V HG# . 16912 1 200 . 1 1 16 16 VAL HG13 H 1 1.006 0.001 . . 4 . . . 17 V HG# . 16912 1 201 . 1 1 16 16 VAL HG21 H 1 1.006 0.001 . . 4 . . . 17 V HG# . 16912 1 202 . 1 1 16 16 VAL HG22 H 1 1.006 0.001 . . 4 . . . 17 V HG# . 16912 1 203 . 1 1 16 16 VAL HG23 H 1 1.006 0.001 . . 4 . . . 17 V HG# . 16912 1 204 . 1 1 16 16 VAL C C 13 176.662 0.008 . 1 3 . . . 17 V C . 16912 1 205 . 1 1 16 16 VAL CA C 13 65.732 0.046 . 1 5 . . . 17 V CA . 16912 1 206 . 1 1 16 16 VAL CB C 13 31.762 0.132 . 1 3 . . . 17 V CB . 16912 1 207 . 1 1 16 16 VAL CG1 C 13 21.624 0.037 . . 2 . . . 17 V CG# . 16912 1 208 . 1 1 16 16 VAL CG2 C 13 21.624 0.037 . . 2 . . . 17 V CG# . 16912 1 209 . 1 1 16 16 VAL N N 15 113.942 0.027 . 1 7 . . . 17 V N . 16912 1 210 . 1 1 17 17 GLU H H 1 7.099 0.004 . 1 6 . . . 18 E H . 16912 1 211 . 1 1 17 17 GLU HA H 1 4.476 0.003 . 1 7 . . . 18 E HA . 16912 1 212 . 1 1 17 17 GLU HB2 H 1 2.204 0.001 . 2 3 . . . 18 E HB2 . 16912 1 213 . 1 1 17 17 GLU HB3 H 1 2.084 0.003 . 2 2 . . . 18 E HB3 . 16912 1 214 . 1 1 17 17 GLU HG2 H 1 2.531 0.005 . 2 6 . . . 18 E HG2 . 16912 1 215 . 1 1 17 17 GLU HG3 H 1 2.326 0.001 . 2 2 . . . 18 E HG3 . 16912 1 216 . 1 1 17 17 GLU C C 13 179.591 0.005 . 1 3 . . . 18 E C . 16912 1 217 . 1 1 17 17 GLU CA C 13 57.676 0.098 . 1 6 . . . 18 E CA . 16912 1 218 . 1 1 17 17 GLU CB C 13 28.531 0.174 . 1 5 . . . 18 E CB . 16912 1 219 . 1 1 17 17 GLU CG C 13 35.912 0.027 . 1 3 . . . 18 E CG . 16912 1 220 . 1 1 17 17 GLU N N 15 119.928 0.037 . 1 7 . . . 18 E N . 16912 1 221 . 1 1 18 18 ILE H H 1 7.544 0.003 . 1 7 . . . 19 I H . 16912 1 222 . 1 1 18 18 ILE HA H 1 3.417 0.003 . 1 7 . . . 19 I HA . 16912 1 223 . 1 1 18 18 ILE HB H 1 1.781 0.002 . 1 10 . . . 19 I HB . 16912 1 224 . 1 1 18 18 ILE HD11 H 1 0.779 0.003 . . 10 . . . 19 I HD1# . 16912 1 225 . 1 1 18 18 ILE HD12 H 1 0.779 0.003 . . 10 . . . 19 I HD1# . 16912 1 226 . 1 1 18 18 ILE HD13 H 1 0.779 0.003 . . 10 . . . 19 I HD1# . 16912 1 227 . 1 1 18 18 ILE HG12 H 1 1.639 0.005 . 2 6 . . . 19 I HG12 . 16912 1 228 . 1 1 18 18 ILE HG13 H 1 0.779 0.004 . 2 6 . . . 19 I HG13 . 16912 1 229 . 1 1 18 18 ILE HG21 H 1 0.735 0.002 . . 11 . . . 19 I HG2# . 16912 1 230 . 1 1 18 18 ILE HG22 H 1 0.735 0.002 . . 11 . . . 19 I HG2# . 16912 1 231 . 1 1 18 18 ILE HG23 H 1 0.735 0.002 . . 11 . . . 19 I HG2# . 16912 1 232 . 1 1 18 18 ILE C C 13 178.105 0.003 . 1 3 . . . 19 I C . 16912 1 233 . 1 1 18 18 ILE CA C 13 65.938 0.028 . 1 5 . . . 19 I CA . 16912 1 234 . 1 1 18 18 ILE CB C 13 37.755 0.045 . 1 7 . . . 19 I CB . 16912 1 235 . 1 1 18 18 ILE CD1 C 13 13.798 0.005 . 1 5 . . . 19 I CD1 . 16912 1 236 . 1 1 18 18 ILE CG1 C 13 28.813 0.027 . 1 7 . . . 19 I CG1 . 16912 1 237 . 1 1 18 18 ILE CG2 C 13 18.458 0.010 . 1 5 . . . 19 I CG2 . 16912 1 238 . 1 1 18 18 ILE N N 15 120.123 0.022 . 1 8 . . . 19 I N . 16912 1 239 . 1 1 19 19 ALA H H 1 8.614 0.002 . 1 7 . . . 20 A H . 16912 1 240 . 1 1 19 19 ALA HA H 1 3.775 0.003 . 1 4 . . . 20 A HA . 16912 1 241 . 1 1 19 19 ALA HB1 H 1 1.531 0.002 . 1 2 . . . 20 A HB# . 16912 1 242 . 1 1 19 19 ALA HB2 H 1 1.531 0.002 . 1 2 . . . 20 A HB# . 16912 1 243 . 1 1 19 19 ALA HB3 H 1 1.531 0.002 . 1 2 . . . 20 A HB# . 16912 1 244 . 1 1 19 19 ALA C C 13 177.905 0.002 . 1 3 . . . 20 A C . 16912 1 245 . 1 1 19 19 ALA CA C 13 55.297 0.026 . 1 4 . . . 20 A CA . 16912 1 246 . 1 1 19 19 ALA CB C 13 17.987 0.013 . 1 2 . . . 20 A CB . 16912 1 247 . 1 1 19 19 ALA N N 15 119.155 0.022 . 1 8 . . . 20 A N . 16912 1 248 . 1 1 20 20 HIS H H 1 8.513 0.003 . 1 6 . . . 21 H H . 16912 1 249 . 1 1 20 20 HIS HA H 1 4.141 0.002 . 1 3 . . . 21 H HA . 16912 1 250 . 1 1 20 20 HIS HB2 H 1 3.551 0.003 . 2 2 . . . 21 H HB2 . 16912 1 251 . 1 1 20 20 HIS HB3 H 1 3.458 0.004 . 2 3 . . . 21 H HB3 . 16912 1 252 . 1 1 20 20 HIS C C 13 176.529 0.010 . 1 3 . . . 21 H C . 16912 1 253 . 1 1 20 20 HIS CA C 13 62.927 0.065 . 1 3 . . . 21 H CA . 16912 1 254 . 1 1 20 20 HIS CB C 13 28.699 0.140 . 1 4 . . . 21 H CB . 16912 1 255 . 1 1 20 20 HIS N N 15 115.619 0.091 . 1 7 . . . 21 H N . 16912 1 256 . 1 1 21 21 GLU H H 1 7.851 0.008 . 1 6 . . . 22 E H . 16912 1 257 . 1 1 21 21 GLU HA H 1 4.197 0.000 . 1 3 . . . 22 E HA . 16912 1 258 . 1 1 21 21 GLU HB2 H 1 2.160 0.009 . 2 2 . . . 22 E QB . 16912 1 259 . 1 1 21 21 GLU HB3 H 1 2.160 0.009 . 2 2 . . . 22 E QB . 16912 1 260 . 1 1 21 21 GLU HG2 H 1 2.612 0.005 . 2 6 . . . 22 E HG2 . 16912 1 261 . 1 1 21 21 GLU HG3 H 1 2.384 0.011 . 2 3 . . . 22 E HG3 . 16912 1 262 . 1 1 21 21 GLU C C 13 180.031 0.007 . 1 3 . . . 22 E C . 16912 1 263 . 1 1 21 21 GLU CA C 13 59.127 0.043 . 1 4 . . . 22 E CA . 16912 1 264 . 1 1 21 21 GLU CB C 13 29.276 0.127 . 1 2 . . . 22 E CB . 16912 1 265 . 1 1 21 21 GLU CG C 13 35.912 0.069 . 1 3 . . . 22 E CG . 16912 1 266 . 1 1 21 21 GLU N N 15 116.621 0.091 . 1 7 . . . 22 E N . 16912 1 267 . 1 1 22 22 LEU H H 1 8.532 0.003 . 1 5 . . . 23 L H . 16912 1 268 . 1 1 22 22 LEU HA H 1 4.008 0.006 . 1 7 . . . 23 L HA . 16912 1 269 . 1 1 22 22 LEU HB2 H 1 1.848 0.001 . 2 4 . . . 23 L HB2 . 16912 1 270 . 1 1 22 22 LEU HB3 H 1 1.313 0.001 . 2 4 . . . 23 L HB3 . 16912 1 271 . 1 1 22 22 LEU HD11 H 1 0.799 0.002 . 2 10 . . . 23 L HD1# . 16912 1 272 . 1 1 22 22 LEU HD12 H 1 0.799 0.002 . 2 10 . . . 23 L HD1# . 16912 1 273 . 1 1 22 22 LEU HD13 H 1 0.799 0.002 . 2 10 . . . 23 L HD1# . 16912 1 274 . 1 1 22 22 LEU HD21 H 1 0.693 0.005 . 2 10 . . . 23 L HD2# . 16912 1 275 . 1 1 22 22 LEU HD22 H 1 0.693 0.005 . 2 10 . . . 23 L HD2# . 16912 1 276 . 1 1 22 22 LEU HD23 H 1 0.693 0.005 . 2 10 . . . 23 L HD2# . 16912 1 277 . 1 1 22 22 LEU HG H 1 1.687 0.008 . 1 9 . . . 23 L HG . 16912 1 278 . 1 1 22 22 LEU C C 13 179.886 0.004 . 1 3 . . . 23 L C . 16912 1 279 . 1 1 22 22 LEU CA C 13 58.236 0.058 . 1 6 . . . 23 L CA . 16912 1 280 . 1 1 22 22 LEU CB C 13 41.523 0.232 . 1 4 . . . 23 L CB . 16912 1 281 . 1 1 22 22 LEU CD1 C 13 23.056 0.038 . 2 6 . . . 23 L CD1 . 16912 1 282 . 1 1 22 22 LEU CD2 C 13 26.352 0.018 . 2 5 . . . 23 L CD2 . 16912 1 283 . 1 1 22 22 LEU CG C 13 26.635 0.036 . 1 5 . . . 23 L CG . 16912 1 284 . 1 1 22 22 LEU N N 15 121.649 0.026 . 1 6 . . . 23 L N . 16912 1 285 . 1 1 23 23 PHE H H 1 8.683 0.011 . 1 7 . . . 24 F H . 16912 1 286 . 1 1 23 23 PHE HA H 1 4.788 0.002 . 1 2 . . . 24 F HA . 16912 1 287 . 1 1 23 23 PHE HB2 H 1 3.253 0.001 . 2 2 . . . 24 F HB2 . 16912 1 288 . 1 1 23 23 PHE HB3 H 1 3.113 0.006 . 2 2 . . . 24 F HB3 . 16912 1 289 . 1 1 23 23 PHE HD1 H 1 7.466 0.011 . 3 2 . . . 24 F QD . 16912 1 290 . 1 1 23 23 PHE HD2 H 1 7.466 0.011 . 3 2 . . . 24 F QD . 16912 1 291 . 1 1 23 23 PHE HE1 H 1 7.069 0.003 . 3 2 . . . 24 F QE . 16912 1 292 . 1 1 23 23 PHE HE2 H 1 7.069 0.003 . 3 2 . . . 24 F QE . 16912 1 293 . 1 1 23 23 PHE C C 13 179.196 0.006 . 1 3 . . . 24 F C . 16912 1 294 . 1 1 23 23 PHE CA C 13 61.706 0.033 . 1 3 . . . 24 F CA . 16912 1 295 . 1 1 23 23 PHE CB C 13 38.412 0.011 . 1 2 . . . 24 F CB . 16912 1 296 . 1 1 23 23 PHE CD1 C 13 129.235 0.000 . . 1 . . . 24 F CD# . 16912 1 297 . 1 1 23 23 PHE CD2 C 13 129.235 0.000 . . 1 . . . 24 F CD# . 16912 1 298 . 1 1 23 23 PHE CE1 C 13 130.440 0.000 . . 1 . . . 24 F CE# . 16912 1 299 . 1 1 23 23 PHE CE2 C 13 130.440 0.000 . . 1 . . . 24 F CE# . 16912 1 300 . 1 1 23 23 PHE N N 15 118.945 0.045 . 1 8 . . . 24 F N . 16912 1 301 . 1 1 24 24 GLU H H 1 8.109 0.013 . 1 5 . . . 25 E H . 16912 1 302 . 1 1 24 24 GLU HA H 1 4.413 0.003 . 1 5 . . . 25 E HA . 16912 1 303 . 1 1 24 24 GLU HB2 H 1 2.085 0.007 . 2 2 . . . 25 E QB . 16912 1 304 . 1 1 24 24 GLU HB3 H 1 2.085 0.007 . 2 2 . . . 25 E QB . 16912 1 305 . 1 1 24 24 GLU HG2 H 1 2.291 0.002 . 2 3 . . . 25 E QG . 16912 1 306 . 1 1 24 24 GLU HG3 H 1 2.291 0.002 . 2 3 . . . 25 E QG . 16912 1 307 . 1 1 24 24 GLU C C 13 178.070 0.004 . 1 3 . . . 25 E C . 16912 1 308 . 1 1 24 24 GLU CA C 13 59.286 0.045 . 1 5 . . . 25 E CA . 16912 1 309 . 1 1 24 24 GLU CB C 13 29.487 0.040 . 1 3 . . . 25 E CB . 16912 1 310 . 1 1 24 24 GLU CG C 13 36.459 0.000 . 1 1 . . . 25 E CG . 16912 1 311 . 1 1 24 24 GLU N N 15 118.295 0.050 . 1 6 . . . 25 E N . 16912 1 312 . 1 1 25 25 GLU H H 1 7.697 0.002 . 1 7 . . . 26 E H . 16912 1 313 . 1 1 25 25 GLU HA H 1 4.217 0.003 . 1 4 . . . 26 E HA . 16912 1 314 . 1 1 25 25 GLU HB2 H 1 2.075 0.008 . 2 2 . . . 26 E HB2 . 16912 1 315 . 1 1 25 25 GLU HB3 H 1 1.942 0.001 . 2 4 . . . 26 E HB3 . 16912 1 316 . 1 1 25 25 GLU HG2 H 1 2.167 0.015 . 2 2 . . . 26 E QG . 16912 1 317 . 1 1 25 25 GLU HG3 H 1 2.167 0.015 . 2 2 . . . 26 E QG . 16912 1 318 . 1 1 25 25 GLU C C 13 178.001 0.004 . 1 3 . . . 26 E C . 16912 1 319 . 1 1 25 25 GLU CA C 13 58.347 0.060 . 1 5 . . . 26 E CA . 16912 1 320 . 1 1 25 25 GLU CB C 13 30.102 0.040 . 1 3 . . . 26 E CB . 16912 1 321 . 1 1 25 25 GLU CG C 13 36.023 0.000 . 1 1 . . . 26 E CG . 16912 1 322 . 1 1 25 25 GLU N N 15 117.333 0.077 . 1 8 . . . 26 E N . 16912 1 323 . 1 1 26 26 HIS H H 1 8.546 0.002 . 1 6 . . . 27 H H . 16912 1 324 . 1 1 26 26 HIS HA H 1 4.646 0.009 . 1 4 . . . 27 H HA . 16912 1 325 . 1 1 26 26 HIS HB2 H 1 3.556 0.003 . 2 5 . . . 27 H HB2 . 16912 1 326 . 1 1 26 26 HIS HB3 H 1 3.262 0.004 . 2 3 . . . 27 H HB3 . 16912 1 327 . 1 1 26 26 HIS C C 13 176.200 0.010 . 1 3 . . . 27 H C . 16912 1 328 . 1 1 26 26 HIS CA C 13 57.242 0.098 . 1 4 . . . 27 H CA . 16912 1 329 . 1 1 26 26 HIS CB C 13 30.385 0.121 . 1 6 . . . 27 H CB . 16912 1 330 . 1 1 26 26 HIS N N 15 116.122 0.078 . 1 7 . . . 27 H N . 16912 1 331 . 1 1 27 27 LYS H H 1 8.886 0.002 . 1 7 . . . 28 K H . 16912 1 332 . 1 1 27 27 LYS HA H 1 3.751 0.020 . 1 13 . . . 28 K HA . 16912 1 333 . 1 1 27 27 LYS HB2 H 1 1.706 0.012 . 2 4 . . . 28 K HB2 . 16912 1 334 . 1 1 27 27 LYS HB3 H 1 1.558 0.001 . 2 4 . . . 28 K HB3 . 16912 1 335 . 1 1 27 27 LYS HD2 H 1 1.628 0.002 . 2 3 . . . 28 K HD2 . 16912 1 336 . 1 1 27 27 LYS HD3 H 1 1.489 0.009 . 2 7 . . . 28 K HD3 . 16912 1 337 . 1 1 27 27 LYS HE2 H 1 2.986 0.004 . 2 6 . . . 28 K QE . 16912 1 338 . 1 1 27 27 LYS HE3 H 1 2.986 0.004 . 2 6 . . . 28 K QE . 16912 1 339 . 1 1 27 27 LYS HG2 H 1 1.195 0.006 . 2 13 . . . 28 K QG . 16912 1 340 . 1 1 27 27 LYS HG3 H 1 1.195 0.006 . 2 13 . . . 28 K QG . 16912 1 341 . 1 1 27 27 LYS C C 13 173.830 0.002 . 1 3 . . . 28 K C . 16912 1 342 . 1 1 27 27 LYS CA C 13 57.391 0.069 . 1 9 . . . 28 K CA . 16912 1 343 . 1 1 27 27 LYS CB C 13 29.923 0.031 . 1 7 . . . 28 K CB . 16912 1 344 . 1 1 27 27 LYS CD C 13 29.376 0.100 . 1 5 . . . 28 K CD . 16912 1 345 . 1 1 27 27 LYS CE C 13 42.501 0.019 . 1 2 . . . 28 K CE . 16912 1 346 . 1 1 27 27 LYS CG C 13 25.329 0.016 . 1 6 . . . 28 K CG . 16912 1 347 . 1 1 27 27 LYS N N 15 113.775 0.108 . 1 8 . . . 28 K N . 16912 1 348 . 1 1 28 28 LYS H H 1 7.442 0.004 . 1 7 . . . 29 K H . 16912 1 349 . 1 1 28 28 LYS HA H 1 4.631 0.004 . 1 8 . . . 29 K HA . 16912 1 350 . 1 1 28 28 LYS HB2 H 1 1.810 0.005 . 2 6 . . . 29 K HB2 . 16912 1 351 . 1 1 28 28 LYS HB3 H 1 1.659 0.002 . 2 8 . . . 29 K HB3 . 16912 1 352 . 1 1 28 28 LYS HD2 H 1 1.673 0.000 . 2 1 . . . 29 K QD . 16912 1 353 . 1 1 28 28 LYS HD3 H 1 1.673 0.000 . 2 1 . . . 29 K QD . 16912 1 354 . 1 1 28 28 LYS HE2 H 1 2.984 0.001 . 2 4 . . . 29 K QE . 16912 1 355 . 1 1 28 28 LYS HE3 H 1 2.984 0.001 . 2 4 . . . 29 K QE . 16912 1 356 . 1 1 28 28 LYS HG2 H 1 1.390 0.005 . 2 9 . . . 29 K QG . 16912 1 357 . 1 1 28 28 LYS HG3 H 1 1.390 0.005 . 2 9 . . . 29 K QG . 16912 1 358 . 1 1 28 28 LYS C C 13 173.073 0.000 . 1 1 . . . 29 K C . 16912 1 359 . 1 1 28 28 LYS CA C 13 53.222 0.014 . 1 5 . . . 29 K CA . 16912 1 360 . 1 1 28 28 LYS CB C 13 34.515 0.045 . 1 9 . . . 29 K CB . 16912 1 361 . 1 1 28 28 LYS CD C 13 29.654 0.000 . 1 1 . . . 29 K CD . 16912 1 362 . 1 1 28 28 LYS CG C 13 23.698 0.017 . 1 5 . . . 29 K CG . 16912 1 363 . 1 1 28 28 LYS N N 15 117.742 0.040 . 1 8 . . . 29 K N . 16912 1 364 . 1 1 29 29 PRO HA H 1 5.516 0.003 . 1 13 . . . 30 P HA . 16912 1 365 . 1 1 29 29 PRO HB2 H 1 2.285 0.005 . 2 5 . . . 30 P HB2 . 16912 1 366 . 1 1 29 29 PRO HB3 H 1 1.907 0.004 . 2 8 . . . 30 P HB3 . 16912 1 367 . 1 1 29 29 PRO HD2 H 1 3.852 0.004 . 2 6 . . . 30 P HD2 . 16912 1 368 . 1 1 29 29 PRO HD3 H 1 3.774 0.005 . 2 6 . . . 30 P HD3 . 16912 1 369 . 1 1 29 29 PRO HG2 H 1 2.224 0.002 . 2 3 . . . 30 P HG2 . 16912 1 370 . 1 1 29 29 PRO HG3 H 1 2.176 0.008 . 2 3 . . . 30 P HG3 . 16912 1 371 . 1 1 29 29 PRO C C 13 177.381 0.003 . 1 3 . . . 30 P C . 16912 1 372 . 1 1 29 29 PRO CA C 13 63.236 0.076 . 1 8 . . . 30 P CA . 16912 1 373 . 1 1 29 29 PRO CB C 13 33.219 0.032 . 1 6 . . . 30 P CB . 16912 1 374 . 1 1 29 29 PRO CD C 13 51.012 0.000 . 1 6 . . . 30 P CD . 16912 1 375 . 1 1 29 29 PRO CG C 13 28.115 0.023 . 1 4 . . . 30 P CG . 16912 1 376 . 1 1 29 29 PRO N N 15 134.105 0.000 . 1 1 . . . 30 P N . 16912 1 377 . 1 1 30 30 VAL H H 1 8.964 0.005 . 1 7 . . . 31 V H . 16912 1 378 . 1 1 30 30 VAL HA H 1 5.111 0.004 . 1 7 . . . 31 V HA . 16912 1 379 . 1 1 30 30 VAL HB H 1 2.202 0.001 . 1 5 . . . 31 V HB . 16912 1 380 . 1 1 30 30 VAL HG11 H 1 1.087 0.001 . 2 5 . . . 31 V HG1# . 16912 1 381 . 1 1 30 30 VAL HG12 H 1 1.087 0.001 . 2 5 . . . 31 V HG1# . 16912 1 382 . 1 1 30 30 VAL HG13 H 1 1.087 0.001 . 2 5 . . . 31 V HG1# . 16912 1 383 . 1 1 30 30 VAL HG21 H 1 1.053 0.014 . 2 7 . . . 31 V HG2# . 16912 1 384 . 1 1 30 30 VAL HG22 H 1 1.053 0.014 . 2 7 . . . 31 V HG2# . 16912 1 385 . 1 1 30 30 VAL HG23 H 1 1.053 0.014 . 2 7 . . . 31 V HG2# . 16912 1 386 . 1 1 30 30 VAL C C 13 174.431 0.000 . 1 1 . . . 31 V C . 16912 1 387 . 1 1 30 30 VAL CA C 13 58.847 0.029 . 1 5 . . . 31 V CA . 16912 1 388 . 1 1 30 30 VAL CB C 13 36.228 0.050 . 1 3 . . . 31 V CB . 16912 1 389 . 1 1 30 30 VAL CG1 C 13 22.227 0.011 . 2 2 . . . 31 V CG1 . 16912 1 390 . 1 1 30 30 VAL CG2 C 13 20.229 0.026 . 2 4 . . . 31 V CG2 . 16912 1 391 . 1 1 30 30 VAL N N 15 117.059 0.092 . 1 8 . . . 31 V N . 16912 1 392 . 1 1 31 31 PRO HA H 1 5.114 0.005 . 1 9 . . . 32 P HA . 16912 1 393 . 1 1 31 31 PRO HB2 H 1 2.757 0.004 . 2 11 . . . 32 P HB2 . 16912 1 394 . 1 1 31 31 PRO HB3 H 1 2.121 0.016 . 2 3 . . . 32 P HB3 . 16912 1 395 . 1 1 31 31 PRO HD2 H 1 4.015 0.003 . 2 6 . . . 32 P HD2 . 16912 1 396 . 1 1 31 31 PRO HD3 H 1 3.850 0.002 . 2 5 . . . 32 P HD3 . 16912 1 397 . 1 1 31 31 PRO HG2 H 1 2.224 0.004 . 2 5 . . . 32 P HG2 . 16912 1 398 . 1 1 31 31 PRO HG3 H 1 2.127 0.006 . 2 5 . . . 32 P HG3 . 16912 1 399 . 1 1 31 31 PRO C C 13 177.503 0.004 . 1 3 . . . 32 P C . 16912 1 400 . 1 1 31 31 PRO CA C 13 62.719 0.018 . 1 5 . . . 32 P CA . 16912 1 401 . 1 1 31 31 PRO CB C 13 32.969 0.011 . 1 8 . . . 32 P CB . 16912 1 402 . 1 1 31 31 PRO CD C 13 51.702 0.034 . 1 7 . . . 32 P CD . 16912 1 403 . 1 1 31 31 PRO CG C 13 28.086 0.003 . 1 4 . . . 32 P CG . 16912 1 404 . 1 1 31 31 PRO N N 15 136.108 0.000 . 1 1 . . . 32 P N . 16912 1 405 . 1 1 32 32 PHE H H 1 9.725 0.006 . 1 7 . . . 33 F H . 16912 1 406 . 1 1 32 32 PHE HA H 1 4.145 0.002 . 1 4 . . . 33 F HA . 16912 1 407 . 1 1 32 32 PHE HB2 H 1 3.607 0.011 . 2 5 . . . 33 F HB2 . 16912 1 408 . 1 1 32 32 PHE HB3 H 1 3.218 0.006 . 2 3 . . . 33 F HB3 . 16912 1 409 . 1 1 32 32 PHE HD1 H 1 6.854 0.001 . 3 2 . . . 33 F QD . 16912 1 410 . 1 1 32 32 PHE HD2 H 1 6.854 0.001 . 3 2 . . . 33 F QD . 16912 1 411 . 1 1 32 32 PHE HE1 H 1 6.741 0.001 . 3 3 . . . 33 F QE . 16912 1 412 . 1 1 32 32 PHE HE2 H 1 6.741 0.001 . 3 3 . . . 33 F QE . 16912 1 413 . 1 1 32 32 PHE HZ H 1 7.122 0.001 . 1 3 . . . 33 F HZ . 16912 1 414 . 1 1 32 32 PHE C C 13 176.695 0.004 . 1 3 . . . 33 F C . 16912 1 415 . 1 1 32 32 PHE CA C 13 62.805 0.070 . 1 4 . . . 33 F CA . 16912 1 416 . 1 1 32 32 PHE CB C 13 40.070 0.073 . 1 6 . . . 33 F CB . 16912 1 417 . 1 1 32 32 PHE CD1 C 13 131.450 0.027 . . 2 . . . 33 F CD# . 16912 1 418 . 1 1 32 32 PHE CD2 C 13 131.450 0.027 . . 2 . . . 33 F CD# . 16912 1 419 . 1 1 32 32 PHE CE1 C 13 131.455 0.000 . . 1 . . . 33 F CE# . 16912 1 420 . 1 1 32 32 PHE CE2 C 13 131.455 0.000 . . 1 . . . 33 F CE# . 16912 1 421 . 1 1 32 32 PHE CZ C 13 129.137 0.000 . 1 1 . . . 33 F CZ . 16912 1 422 . 1 1 32 32 PHE N N 15 124.846 0.041 . 1 8 . . . 33 F N . 16912 1 423 . 1 1 33 33 GLN H H 1 9.327 0.002 . 1 7 . . . 34 Q H . 16912 1 424 . 1 1 33 33 GLN HA H 1 3.748 0.002 . 1 7 . . . 34 Q HA . 16912 1 425 . 1 1 33 33 GLN HB2 H 1 2.119 0.003 . 2 5 . . . 34 Q QB . 16912 1 426 . 1 1 33 33 GLN HB3 H 1 2.119 0.003 . 2 5 . . . 34 Q QB . 16912 1 427 . 1 1 33 33 GLN HE21 H 1 7.735 0.000 . 2 1 . . . 34 Q HE21 . 16912 1 428 . 1 1 33 33 GLN HE22 H 1 6.942 0.000 . 2 1 . . . 34 Q HE22 . 16912 1 429 . 1 1 33 33 GLN HG2 H 1 2.601 0.003 . 2 6 . . . 34 Q HG2 . 16912 1 430 . 1 1 33 33 GLN HG3 H 1 2.551 0.002 . 2 8 . . . 34 Q HG3 . 16912 1 431 . 1 1 33 33 GLN C C 13 178.195 0.001 . 1 3 . . . 34 Q C . 16912 1 432 . 1 1 33 33 GLN CA C 13 59.093 0.026 . 1 6 . . . 34 Q CA . 16912 1 433 . 1 1 33 33 GLN CB C 13 27.817 0.044 . 1 4 . . . 34 Q CB . 16912 1 434 . 1 1 33 33 GLN CG C 13 33.723 0.017 . 1 7 . . . 34 Q CG . 16912 1 435 . 1 1 33 33 GLN N N 15 114.092 0.021 . 1 8 . . . 34 Q N . 16912 1 436 . 1 1 33 33 GLN NE2 N 15 112.513 0.017 . 1 2 . . . 34 Q NE2 . 16912 1 437 . 1 1 34 34 GLU H H 1 6.971 0.003 . 1 7 . . . 35 E H . 16912 1 438 . 1 1 34 34 GLU HA H 1 4.205 0.001 . 1 3 . . . 35 E HA . 16912 1 439 . 1 1 34 34 GLU HB2 H 1 2.081 0.000 . 2 1 . . . 35 E QB . 16912 1 440 . 1 1 34 34 GLU HB3 H 1 2.081 0.000 . 2 1 . . . 35 E QB . 16912 1 441 . 1 1 34 34 GLU HG2 H 1 2.351 0.000 . 2 1 . . . 35 E HG2 . 16912 1 442 . 1 1 34 34 GLU HG3 H 1 2.315 0.000 . 2 1 . . . 35 E HG3 . 16912 1 443 . 1 1 34 34 GLU C C 13 178.626 0.006 . 1 3 . . . 35 E C . 16912 1 444 . 1 1 34 34 GLU CA C 13 58.741 0.030 . 1 4 . . . 35 E CA . 16912 1 445 . 1 1 34 34 GLU CB C 13 29.291 0.040 . 1 2 . . . 35 E CB . 16912 1 446 . 1 1 34 34 GLU N N 15 117.845 0.019 . 1 8 . . . 35 E N . 16912 1 447 . 1 1 35 35 LEU H H 1 7.906 0.004 . 1 6 . . . 36 L H . 16912 1 448 . 1 1 35 35 LEU HA H 1 3.987 0.006 . 1 9 . . . 36 L HA . 16912 1 449 . 1 1 35 35 LEU HB2 H 1 1.845 0.003 . 2 8 . . . 36 L HB2 . 16912 1 450 . 1 1 35 35 LEU HB3 H 1 1.566 0.004 . 2 4 . . . 36 L HB3 . 16912 1 451 . 1 1 35 35 LEU HD11 H 1 0.715 0.012 . . 6 . . . 36 L HD# . 16912 1 452 . 1 1 35 35 LEU HD12 H 1 0.715 0.012 . . 6 . . . 36 L HD# . 16912 1 453 . 1 1 35 35 LEU HD13 H 1 0.715 0.012 . . 6 . . . 36 L HD# . 16912 1 454 . 1 1 35 35 LEU HD21 H 1 0.715 0.012 . . 6 . . . 36 L HD# . 16912 1 455 . 1 1 35 35 LEU HD22 H 1 0.715 0.012 . . 6 . . . 36 L HD# . 16912 1 456 . 1 1 35 35 LEU HD23 H 1 0.715 0.012 . . 6 . . . 36 L HD# . 16912 1 457 . 1 1 35 35 LEU HG H 1 1.478 0.008 . 1 5 . . . 36 L HG . 16912 1 458 . 1 1 35 35 LEU C C 13 178.276 0.002 . 1 3 . . . 36 L C . 16912 1 459 . 1 1 35 35 LEU CA C 13 57.920 0.078 . 1 6 . . . 36 L CA . 16912 1 460 . 1 1 35 35 LEU CB C 13 42.052 0.056 . 1 8 . . . 36 L CB . 16912 1 461 . 1 1 35 35 LEU CD1 C 13 23.244 0.026 . . 3 . . . 36 L CD# . 16912 1 462 . 1 1 35 35 LEU CD2 C 13 23.244 0.026 . . 3 . . . 36 L CD# . 16912 1 463 . 1 1 35 35 LEU CG C 13 26.682 0.019 . 1 2 . . . 36 L CG . 16912 1 464 . 1 1 35 35 LEU N N 15 122.611 0.034 . 1 7 . . . 36 L N . 16912 1 465 . 1 1 36 36 LEU H H 1 7.992 0.002 . 1 6 . . . 37 L H . 16912 1 466 . 1 1 36 36 LEU HA H 1 3.631 0.002 . 1 9 . . . 37 L HA . 16912 1 467 . 1 1 36 36 LEU HB2 H 1 1.355 0.004 . 2 4 . . . 37 L HB2 . 16912 1 468 . 1 1 36 36 LEU HB3 H 1 1.227 0.003 . 2 7 . . . 37 L HB3 . 16912 1 469 . 1 1 36 36 LEU HD11 H 1 0.671 0.007 . . 6 . . . 37 L HD# . 16912 1 470 . 1 1 36 36 LEU HD12 H 1 0.671 0.007 . . 6 . . . 37 L HD# . 16912 1 471 . 1 1 36 36 LEU HD13 H 1 0.671 0.007 . . 6 . . . 37 L HD# . 16912 1 472 . 1 1 36 36 LEU HD21 H 1 0.671 0.007 . . 6 . . . 37 L HD# . 16912 1 473 . 1 1 36 36 LEU HD22 H 1 0.671 0.007 . . 6 . . . 37 L HD# . 16912 1 474 . 1 1 36 36 LEU HD23 H 1 0.671 0.007 . . 6 . . . 37 L HD# . 16912 1 475 . 1 1 36 36 LEU HG H 1 1.843 0.001 . 1 2 . . . 37 L HG . 16912 1 476 . 1 1 36 36 LEU C C 13 178.304 0.003 . 1 3 . . . 37 L C . 16912 1 477 . 1 1 36 36 LEU CA C 13 57.565 0.123 . 1 6 . . . 37 L CA . 16912 1 478 . 1 1 36 36 LEU CB C 13 41.866 0.020 . 1 6 . . . 37 L CB . 16912 1 479 . 1 1 36 36 LEU CD1 C 13 24.364 0.068 . . 4 . . . 37 L CD# . 16912 1 480 . 1 1 36 36 LEU CD2 C 13 24.364 0.068 . . 4 . . . 37 L CD# . 16912 1 481 . 1 1 36 36 LEU CG C 13 26.600 0.000 . 1 2 . . . 37 L CG . 16912 1 482 . 1 1 36 36 LEU N N 15 116.615 0.016 . 1 7 . . . 37 L N . 16912 1 483 . 1 1 37 37 ASN H H 1 7.784 0.001 . 1 7 . . . 38 N H . 16912 1 484 . 1 1 37 37 ASN HA H 1 4.312 0.010 . 1 4 . . . 38 N HA . 16912 1 485 . 1 1 37 37 ASN HB2 H 1 2.973 0.002 . 2 2 . . . 38 N HB2 . 16912 1 486 . 1 1 37 37 ASN HB3 H 1 2.861 0.002 . 2 2 . . . 38 N HB3 . 16912 1 487 . 1 1 37 37 ASN HD21 H 1 7.652 0.000 . 2 1 . . . 38 N HD21 . 16912 1 488 . 1 1 37 37 ASN HD22 H 1 6.945 0.000 . 2 1 . . . 38 N HD22 . 16912 1 489 . 1 1 37 37 ASN C C 13 178.302 0.001 . 1 3 . . . 38 N C . 16912 1 490 . 1 1 37 37 ASN CA C 13 56.186 0.019 . 1 3 . . . 38 N CA . 16912 1 491 . 1 1 37 37 ASN CB C 13 37.834 0.072 . 1 3 . . . 38 N CB . 16912 1 492 . 1 1 37 37 ASN N N 15 117.007 0.020 . 1 8 . . . 38 N N . 16912 1 493 . 1 1 37 37 ASN ND2 N 15 112.278 0.029 . 1 2 . . . 38 N ND2 . 16912 1 494 . 1 1 38 38 GLU H H 1 8.164 0.010 . 1 4 . . . 39 E H . 16912 1 495 . 1 1 38 38 GLU HA H 1 4.053 0.007 . 1 5 . . . 39 E HA . 16912 1 496 . 1 1 38 38 GLU HB2 H 1 2.042 0.000 . 2 1 . . . 39 E QB . 16912 1 497 . 1 1 38 38 GLU HB3 H 1 2.042 0.000 . 2 1 . . . 39 E QB . 16912 1 498 . 1 1 38 38 GLU HG2 H 1 2.404 0.000 . 2 1 . . . 39 E HG2 . 16912 1 499 . 1 1 38 38 GLU HG3 H 1 2.275 0.000 . 2 1 . . . 39 E HG3 . 16912 1 500 . 1 1 38 38 GLU C C 13 179.323 0.005 . 1 4 . . . 39 E C . 16912 1 501 . 1 1 38 38 GLU CA C 13 59.669 0.023 . 1 5 . . . 39 E CA . 16912 1 502 . 1 1 38 38 GLU CB C 13 29.576 0.000 . 1 1 . . . 39 E CB . 16912 1 503 . 1 1 38 38 GLU N N 15 121.454 0.004 . 1 5 . . . 39 E N . 16912 1 504 . 1 1 39 39 ILE H H 1 8.272 0.011 . 1 5 . . . 40 I H . 16912 1 505 . 1 1 39 39 ILE HA H 1 3.353 0.003 . 1 8 . . . 40 I HA . 16912 1 506 . 1 1 39 39 ILE HB H 1 1.634 0.001 . 1 6 . . . 40 I HB . 16912 1 507 . 1 1 39 39 ILE HD11 H 1 0.372 0.001 . . 11 . . . 40 I HD1# . 16912 1 508 . 1 1 39 39 ILE HD12 H 1 0.372 0.001 . . 11 . . . 40 I HD1# . 16912 1 509 . 1 1 39 39 ILE HD13 H 1 0.372 0.001 . . 11 . . . 40 I HD1# . 16912 1 510 . 1 1 39 39 ILE HG12 H 1 1.732 0.005 . 2 5 . . . 40 I HG12 . 16912 1 511 . 1 1 39 39 ILE HG13 H 1 0.588 0.004 . 2 5 . . . 40 I HG13 . 16912 1 512 . 1 1 39 39 ILE HG21 H 1 0.593 0.000 . . 9 . . . 40 I HG2# . 16912 1 513 . 1 1 39 39 ILE HG22 H 1 0.593 0.000 . . 9 . . . 40 I HG2# . 16912 1 514 . 1 1 39 39 ILE HG23 H 1 0.593 0.000 . . 9 . . . 40 I HG2# . 16912 1 515 . 1 1 39 39 ILE C C 13 176.911 0.007 . 1 4 . . . 40 I C . 16912 1 516 . 1 1 39 39 ILE CA C 13 66.330 0.059 . 1 6 . . . 40 I CA . 16912 1 517 . 1 1 39 39 ILE CB C 13 38.075 0.042 . 1 6 . . . 40 I CB . 16912 1 518 . 1 1 39 39 ILE CD1 C 13 14.550 0.016 . 1 5 . . . 40 I CD1 . 16912 1 519 . 1 1 39 39 ILE CG1 C 13 30.110 0.028 . 1 7 . . . 40 I CG1 . 16912 1 520 . 1 1 39 39 ILE CG2 C 13 17.478 0.006 . 1 4 . . . 40 I CG2 . 16912 1 521 . 1 1 39 39 ILE N N 15 120.751 0.036 . 1 7 . . . 40 I N . 16912 1 522 . 1 1 40 40 ALA H H 1 8.522 0.002 . 1 7 . . . 41 A H . 16912 1 523 . 1 1 40 40 ALA HA H 1 3.714 0.003 . 1 2 . . . 41 A HA . 16912 1 524 . 1 1 40 40 ALA HB1 H 1 1.361 0.002 . 1 4 . . . 41 A HB# . 16912 1 525 . 1 1 40 40 ALA HB2 H 1 1.361 0.002 . 1 4 . . . 41 A HB# . 16912 1 526 . 1 1 40 40 ALA HB3 H 1 1.361 0.002 . 1 4 . . . 41 A HB# . 16912 1 527 . 1 1 40 40 ALA C C 13 179.187 0.002 . 1 3 . . . 41 A C . 16912 1 528 . 1 1 40 40 ALA CA C 13 55.790 0.033 . 1 3 . . . 41 A CA . 16912 1 529 . 1 1 40 40 ALA CB C 13 16.689 0.026 . 1 4 . . . 41 A CB . 16912 1 530 . 1 1 40 40 ALA N N 15 121.015 0.019 . 1 9 . . . 41 A N . 16912 1 531 . 1 1 41 41 SER H H 1 7.793 0.001 . 1 7 . . . 42 S H . 16912 1 532 . 1 1 41 41 SER HA H 1 4.237 0.001 . 1 4 . . . 42 S HA . 16912 1 533 . 1 1 41 41 SER HB2 H 1 3.988 0.002 . 2 4 . . . 42 S QB . 16912 1 534 . 1 1 41 41 SER HB3 H 1 3.988 0.002 . 2 4 . . . 42 S QB . 16912 1 535 . 1 1 41 41 SER C C 13 177.939 0.005 . 1 3 . . . 42 S C . 16912 1 536 . 1 1 41 41 SER CA C 13 61.541 0.024 . 1 4 . . . 42 S CA . 16912 1 537 . 1 1 41 41 SER CB C 13 62.893 0.094 . 1 4 . . . 42 S CB . 16912 1 538 . 1 1 41 41 SER N N 15 111.135 0.039 . 1 8 . . . 42 S N . 16912 1 539 . 1 1 42 42 LEU H H 1 7.908 0.006 . 1 7 . . . 43 L H . 16912 1 540 . 1 1 42 42 LEU HA H 1 4.089 0.005 . 1 7 . . . 43 L HA . 16912 1 541 . 1 1 42 42 LEU HB2 H 1 1.916 0.007 . 2 9 . . . 43 L HB2 . 16912 1 542 . 1 1 42 42 LEU HB3 H 1 1.531 0.006 . 2 3 . . . 43 L HB3 . 16912 1 543 . 1 1 42 42 LEU HD11 H 1 0.842 0.003 . . 6 . . . 43 L HD# . 16912 1 544 . 1 1 42 42 LEU HD12 H 1 0.842 0.003 . . 6 . . . 43 L HD# . 16912 1 545 . 1 1 42 42 LEU HD13 H 1 0.842 0.003 . . 6 . . . 43 L HD# . 16912 1 546 . 1 1 42 42 LEU HD21 H 1 0.842 0.003 . . 6 . . . 43 L HD# . 16912 1 547 . 1 1 42 42 LEU HD22 H 1 0.842 0.003 . . 6 . . . 43 L HD# . 16912 1 548 . 1 1 42 42 LEU HD23 H 1 0.842 0.003 . . 6 . . . 43 L HD# . 16912 1 549 . 1 1 42 42 LEU HG H 1 1.804 0.007 . 1 9 . . . 43 L HG . 16912 1 550 . 1 1 42 42 LEU C C 13 178.765 0.002 . 1 3 . . . 43 L C . 16912 1 551 . 1 1 42 42 LEU CA C 13 57.690 0.017 . 1 6 . . . 43 L CA . 16912 1 552 . 1 1 42 42 LEU CB C 13 42.178 0.044 . 1 7 . . . 43 L CB . 16912 1 553 . 1 1 42 42 LEU CD1 C 13 25.938 0.043 . . 3 . . . 43 L CD# . 16912 1 554 . 1 1 42 42 LEU CD2 C 13 25.938 0.043 . . 3 . . . 43 L CD# . 16912 1 555 . 1 1 42 42 LEU CG C 13 26.806 0.028 . 1 4 . . . 43 L CG . 16912 1 556 . 1 1 42 42 LEU N N 15 123.162 0.036 . 1 8 . . . 43 L N . 16912 1 557 . 1 1 43 43 LEU H H 1 7.887 0.002 . 1 6 . . . 44 L H . 16912 1 558 . 1 1 43 43 LEU HA H 1 4.075 0.004 . 1 9 . . . 44 L HA . 16912 1 559 . 1 1 43 43 LEU HB2 H 1 1.748 0.003 . 2 3 . . . 44 L HB2 . 16912 1 560 . 1 1 43 43 LEU HB3 H 1 1.482 0.007 . 2 3 . . . 44 L HB3 . 16912 1 561 . 1 1 43 43 LEU HD11 H 1 0.643 0.004 . . 6 . . . 44 L HD# . 16912 1 562 . 1 1 43 43 LEU HD12 H 1 0.643 0.004 . . 6 . . . 44 L HD# . 16912 1 563 . 1 1 43 43 LEU HD13 H 1 0.643 0.004 . . 6 . . . 44 L HD# . 16912 1 564 . 1 1 43 43 LEU HD21 H 1 0.643 0.004 . . 6 . . . 44 L HD# . 16912 1 565 . 1 1 43 43 LEU HD22 H 1 0.643 0.004 . . 6 . . . 44 L HD# . 16912 1 566 . 1 1 43 43 LEU HD23 H 1 0.643 0.004 . . 6 . . . 44 L HD# . 16912 1 567 . 1 1 43 43 LEU HG H 1 1.709 0.007 . 1 5 . . . 44 L HG . 16912 1 568 . 1 1 43 43 LEU C C 13 177.002 0.002 . 1 3 . . . 44 L C . 16912 1 569 . 1 1 43 43 LEU CA C 13 55.559 0.036 . 1 6 . . . 44 L CA . 16912 1 570 . 1 1 43 43 LEU CB C 13 43.085 0.068 . 1 7 . . . 44 L CB . 16912 1 571 . 1 1 43 43 LEU CD1 C 13 22.878 0.015 . . 2 . . . 44 L CD# . 16912 1 572 . 1 1 43 43 LEU CD2 C 13 22.878 0.015 . . 2 . . . 44 L CD# . 16912 1 573 . 1 1 43 43 LEU CG C 13 27.157 0.028 . 1 2 . . . 44 L CG . 16912 1 574 . 1 1 43 43 LEU N N 15 116.378 0.018 . 1 7 . . . 44 L N . 16912 1 575 . 1 1 44 44 GLY H H 1 7.910 0.001 . 1 6 . . . 45 G H . 16912 1 576 . 1 1 44 44 GLY HA2 H 1 3.936 0.003 . 2 4 . . . 45 G HA2 . 16912 1 577 . 1 1 44 44 GLY HA3 H 1 3.849 0.002 . 2 4 . . . 45 G HA3 . 16912 1 578 . 1 1 44 44 GLY C C 13 174.955 0.002 . 1 3 . . . 45 G C . 16912 1 579 . 1 1 44 44 GLY CA C 13 46.286 0.022 . 1 6 . . . 45 G CA . 16912 1 580 . 1 1 44 44 GLY N N 15 108.143 0.015 . 1 7 . . . 45 G N . 16912 1 581 . 1 1 45 45 VAL H H 1 7.766 0.001 . 1 6 . . . 46 V H . 16912 1 582 . 1 1 45 45 VAL HA H 1 4.690 0.002 . 1 3 . . . 46 V HA . 16912 1 583 . 1 1 45 45 VAL HB H 1 2.209 0.001 . 1 5 . . . 46 V HB . 16912 1 584 . 1 1 45 45 VAL HG11 H 1 0.753 0.002 . 2 7 . . . 46 V HG1# . 16912 1 585 . 1 1 45 45 VAL HG12 H 1 0.753 0.002 . 2 7 . . . 46 V HG1# . 16912 1 586 . 1 1 45 45 VAL HG13 H 1 0.753 0.002 . 2 7 . . . 46 V HG1# . 16912 1 587 . 1 1 45 45 VAL HG21 H 1 0.597 0.002 . 2 7 . . . 46 V HG2# . 16912 1 588 . 1 1 45 45 VAL HG22 H 1 0.597 0.002 . 2 7 . . . 46 V HG2# . 16912 1 589 . 1 1 45 45 VAL HG23 H 1 0.597 0.002 . 2 7 . . . 46 V HG2# . 16912 1 590 . 1 1 45 45 VAL C C 13 175.360 0.006 . 1 3 . . . 46 V C . 16912 1 591 . 1 1 45 45 VAL CA C 13 58.472 0.042 . 1 4 . . . 46 V CA . 16912 1 592 . 1 1 45 45 VAL CB C 13 34.965 0.054 . 1 3 . . . 46 V CB . 16912 1 593 . 1 1 45 45 VAL CG1 C 13 21.317 0.011 . 2 3 . . . 46 V CG1 . 16912 1 594 . 1 1 45 45 VAL CG2 C 13 17.813 0.033 . 2 3 . . . 46 V CG2 . 16912 1 595 . 1 1 45 45 VAL N N 15 112.068 0.021 . 1 7 . . . 46 V N . 16912 1 596 . 1 1 46 46 LYS H H 1 8.440 0.003 . 1 5 . . . 47 K H . 16912 1 597 . 1 1 46 46 LYS HA H 1 4.391 0.008 . 1 8 . . . 47 K HA . 16912 1 598 . 1 1 46 46 LYS HB2 H 1 2.088 0.003 . 2 9 . . . 47 K HB2 . 16912 1 599 . 1 1 46 46 LYS HB3 H 1 1.639 0.003 . 2 3 . . . 47 K HB3 . 16912 1 600 . 1 1 46 46 LYS HD2 H 1 1.665 0.001 . 2 2 . . . 47 K QD . 16912 1 601 . 1 1 46 46 LYS HD3 H 1 1.665 0.001 . 2 2 . . . 47 K QD . 16912 1 602 . 1 1 46 46 LYS HE2 H 1 2.981 0.003 . 2 8 . . . 47 K QE . 16912 1 603 . 1 1 46 46 LYS HE3 H 1 2.981 0.003 . 2 8 . . . 47 K QE . 16912 1 604 . 1 1 46 46 LYS HG2 H 1 1.562 0.003 . 2 4 . . . 47 K HG2 . 16912 1 605 . 1 1 46 46 LYS HG3 H 1 1.489 0.004 . 2 4 . . . 47 K HG3 . 16912 1 606 . 1 1 46 46 LYS C C 13 179.253 0.001 . 1 3 . . . 47 K C . 16912 1 607 . 1 1 46 46 LYS CA C 13 55.451 0.039 . 1 4 . . . 47 K CA . 16912 1 608 . 1 1 46 46 LYS CB C 13 32.928 0.041 . 1 9 . . . 47 K CB . 16912 1 609 . 1 1 46 46 LYS CD C 13 28.894 0.009 . 1 2 . . . 47 K CD . 16912 1 610 . 1 1 46 46 LYS CE C 13 42.174 0.018 . 1 2 . . . 47 K CE . 16912 1 611 . 1 1 46 46 LYS CG C 13 25.146 0.000 . 1 6 . . . 47 K CG . 16912 1 612 . 1 1 46 46 LYS N N 15 120.055 0.058 . 1 6 . . . 47 K N . 16912 1 613 . 1 1 47 47 LYS H H 1 9.040 0.002 . 1 7 . . . 48 K H . 16912 1 614 . 1 1 47 47 LYS HA H 1 3.632 0.002 . 1 11 . . . 48 K HA . 16912 1 615 . 1 1 47 47 LYS HB2 H 1 1.754 0.005 . 2 4 . . . 48 K HB2 . 16912 1 616 . 1 1 47 47 LYS HB3 H 1 1.691 0.002 . 2 3 . . . 48 K HB3 . 16912 1 617 . 1 1 47 47 LYS HD2 H 1 1.671 0.001 . 2 2 . . . 48 K QD . 16912 1 618 . 1 1 47 47 LYS HD3 H 1 1.671 0.001 . 2 2 . . . 48 K QD . 16912 1 619 . 1 1 47 47 LYS HE2 H 1 2.987 0.006 . 2 5 . . . 48 K QE . 16912 1 620 . 1 1 47 47 LYS HE3 H 1 2.987 0.006 . 2 5 . . . 48 K QE . 16912 1 621 . 1 1 47 47 LYS HG2 H 1 1.356 0.004 . 2 5 . . . 48 K QG . 16912 1 622 . 1 1 47 47 LYS HG3 H 1 1.356 0.004 . 2 5 . . . 48 K QG . 16912 1 623 . 1 1 47 47 LYS C C 13 178.377 0.003 . 1 3 . . . 48 K C . 16912 1 624 . 1 1 47 47 LYS CA C 13 60.697 0.016 . 1 7 . . . 48 K CA . 16912 1 625 . 1 1 47 47 LYS CB C 13 31.622 0.023 . 1 8 . . . 48 K CB . 16912 1 626 . 1 1 47 47 LYS CD C 13 29.764 0.000 . 1 1 . . . 48 K CD . 16912 1 627 . 1 1 47 47 LYS CE C 13 41.847 0.000 . 1 1 . . . 48 K CE . 16912 1 628 . 1 1 47 47 LYS CG C 13 24.430 0.020 . 1 2 . . . 48 K CG . 16912 1 629 . 1 1 47 47 LYS N N 15 123.141 0.032 . 1 8 . . . 48 K N . 16912 1 630 . 1 1 48 48 GLU H H 1 9.368 0.004 . 1 7 . . . 49 E H . 16912 1 631 . 1 1 48 48 GLU HA H 1 4.061 0.005 . 1 4 . . . 49 E HA . 16912 1 632 . 1 1 48 48 GLU HB2 H 1 2.026 0.000 . 2 1 . . . 49 E QB . 16912 1 633 . 1 1 48 48 GLU HB3 H 1 2.026 0.000 . 2 1 . . . 49 E QB . 16912 1 634 . 1 1 48 48 GLU HG2 H 1 2.397 0.002 . 2 2 . . . 49 E HG2 . 16912 1 635 . 1 1 48 48 GLU HG3 H 1 2.291 0.000 . 2 1 . . . 49 E HG3 . 16912 1 636 . 1 1 48 48 GLU C C 13 179.167 0.003 . 1 3 . . . 49 E C . 16912 1 637 . 1 1 48 48 GLU CA C 13 59.841 0.106 . 1 3 . . . 49 E CA . 16912 1 638 . 1 1 48 48 GLU CB C 13 28.292 0.127 . 1 3 . . . 49 E CB . 16912 1 639 . 1 1 48 48 GLU CG C 13 36.899 0.015 . 1 2 . . . 49 E CG . 16912 1 640 . 1 1 48 48 GLU N N 15 116.781 0.035 . 1 8 . . . 49 E N . 16912 1 641 . 1 1 49 49 GLU H H 1 7.906 0.001 . 1 7 . . . 50 E H . 16912 1 642 . 1 1 49 49 GLU HA H 1 4.202 0.011 . 1 6 . . . 50 E HA . 16912 1 643 . 1 1 49 49 GLU HB2 H 1 2.036 0.001 . 2 2 . . . 50 E QB . 16912 1 644 . 1 1 49 49 GLU HB3 H 1 2.036 0.001 . 2 2 . . . 50 E QB . 16912 1 645 . 1 1 49 49 GLU HG2 H 1 2.260 0.001 . 2 2 . . . 50 E HG2 . 16912 1 646 . 1 1 49 49 GLU HG3 H 1 2.226 0.002 . 2 2 . . . 50 E HG3 . 16912 1 647 . 1 1 49 49 GLU C C 13 177.960 0.003 . 1 3 . . . 50 E C . 16912 1 648 . 1 1 49 49 GLU CA C 13 57.589 0.016 . 1 5 . . . 50 E CA . 16912 1 649 . 1 1 49 49 GLU CB C 13 29.329 0.144 . 1 3 . . . 50 E CB . 16912 1 650 . 1 1 49 49 GLU CG C 13 36.329 0.020 . 1 2 . . . 50 E CG . 16912 1 651 . 1 1 49 49 GLU N N 15 118.484 0.018 . 1 8 . . . 50 E N . 16912 1 652 . 1 1 50 50 LEU H H 1 7.679 0.002 . 1 7 . . . 51 L H . 16912 1 653 . 1 1 50 50 LEU HA H 1 4.249 0.005 . 1 5 . . . 51 L HA . 16912 1 654 . 1 1 50 50 LEU HB2 H 1 1.998 0.004 . 2 7 . . . 51 L HB2 . 16912 1 655 . 1 1 50 50 LEU HB3 H 1 1.327 0.009 . 2 8 . . . 51 L HB3 . 16912 1 656 . 1 1 50 50 LEU HD11 H 1 0.659 0.007 . . 10 . . . 51 L HD# . 16912 1 657 . 1 1 50 50 LEU HD12 H 1 0.659 0.007 . . 10 . . . 51 L HD# . 16912 1 658 . 1 1 50 50 LEU HD13 H 1 0.659 0.007 . . 10 . . . 51 L HD# . 16912 1 659 . 1 1 50 50 LEU HD21 H 1 0.659 0.007 . . 10 . . . 51 L HD# . 16912 1 660 . 1 1 50 50 LEU HD22 H 1 0.659 0.007 . . 10 . . . 51 L HD# . 16912 1 661 . 1 1 50 50 LEU HD23 H 1 0.659 0.007 . . 10 . . . 51 L HD# . 16912 1 662 . 1 1 50 50 LEU HG H 1 1.598 0.005 . 1 6 . . . 51 L HG . 16912 1 663 . 1 1 50 50 LEU C C 13 178.608 0.001 . 1 3 . . . 51 L C . 16912 1 664 . 1 1 50 50 LEU CA C 13 55.739 0.020 . 1 4 . . . 51 L CA . 16912 1 665 . 1 1 50 50 LEU CB C 13 41.965 0.073 . 1 10 . . . 51 L CB . 16912 1 666 . 1 1 50 50 LEU CD1 C 13 22.806 0.022 . . 5 . . . 51 L CD# . 16912 1 667 . 1 1 50 50 LEU CD2 C 13 22.806 0.022 . . 5 . . . 51 L CD# . 16912 1 668 . 1 1 50 50 LEU CG C 13 26.819 0.030 . 1 3 . . . 51 L CG . 16912 1 669 . 1 1 50 50 LEU N N 15 118.277 0.023 . 1 8 . . . 51 L N . 16912 1 670 . 1 1 51 51 GLY H H 1 7.589 0.001 . 1 6 . . . 52 G H . 16912 1 671 . 1 1 51 51 GLY HA2 H 1 4.008 0.004 . 2 4 . . . 52 G HA2 . 16912 1 672 . 1 1 51 51 GLY HA3 H 1 3.795 0.007 . 2 4 . . . 52 G HA3 . 16912 1 673 . 1 1 51 51 GLY C C 13 175.993 0.005 . 1 3 . . . 52 G C . 16912 1 674 . 1 1 51 51 GLY CA C 13 47.715 0.022 . 1 6 . . . 52 G CA . 16912 1 675 . 1 1 51 51 GLY N N 15 105.809 0.026 . 1 7 . . . 52 G N . 16912 1 676 . 1 1 52 52 ASP H H 1 8.985 0.003 . 1 6 . . . 53 D H . 16912 1 677 . 1 1 52 52 ASP HA H 1 4.567 0.004 . 1 6 . . . 53 D HA . 16912 1 678 . 1 1 52 52 ASP HB2 H 1 2.799 0.002 . 2 2 . . . 53 D HB2 . 16912 1 679 . 1 1 52 52 ASP HB3 H 1 2.758 0.001 . 2 2 . . . 53 D HB3 . 16912 1 680 . 1 1 52 52 ASP C C 13 177.164 0.002 . 1 4 . . . 53 D C . 16912 1 681 . 1 1 52 52 ASP CA C 13 56.179 0.063 . 1 5 . . . 53 D CA . 16912 1 682 . 1 1 52 52 ASP CB C 13 40.023 0.077 . 1 4 . . . 53 D CB . 16912 1 683 . 1 1 52 52 ASP N N 15 124.336 0.048 . 1 7 . . . 53 D N . 16912 1 684 . 1 1 53 53 ARG H H 1 8.224 0.001 . 1 7 . . . 54 R H . 16912 1 685 . 1 1 53 53 ARG HA H 1 4.346 0.003 . 1 10 . . . 54 R HA . 16912 1 686 . 1 1 53 53 ARG HB2 H 1 1.988 0.002 . 2 5 . . . 54 R HB2 . 16912 1 687 . 1 1 53 53 ARG HB3 H 1 1.790 0.003 . 2 4 . . . 54 R HB3 . 16912 1 688 . 1 1 53 53 ARG HD2 H 1 3.209 0.002 . 2 10 . . . 54 R HD2 . 16912 1 689 . 1 1 53 53 ARG HD3 H 1 3.149 0.003 . 2 10 . . . 54 R HD3 . 16912 1 690 . 1 1 53 53 ARG HE H 1 7.250 0.000 . 1 1 . . . 54 R HE . 16912 1 691 . 1 1 53 53 ARG HG2 H 1 1.898 0.010 . 2 6 . . . 54 R HG2 . 16912 1 692 . 1 1 53 53 ARG HG3 H 1 1.751 0.001 . 2 3 . . . 54 R HG3 . 16912 1 693 . 1 1 53 53 ARG C C 13 178.761 0.002 . 1 3 . . . 54 R C . 16912 1 694 . 1 1 53 53 ARG CA C 13 57.905 0.053 . 1 8 . . . 54 R CA . 16912 1 695 . 1 1 53 53 ARG CB C 13 31.599 0.056 . 1 7 . . . 54 R CB . 16912 1 696 . 1 1 53 53 ARG CD C 13 44.350 0.000 . 1 8 . . . 54 R CD . 16912 1 697 . 1 1 53 53 ARG CG C 13 27.171 0.052 . 1 5 . . . 54 R CG . 16912 1 698 . 1 1 53 53 ARG N N 15 117.699 0.029 . 1 9 . . . 54 R N . 16912 1 699 . 1 1 53 53 ARG NE N 15 84.022 0.000 . 1 1 . . . 54 R NE . 16912 1 700 . 1 1 54 54 ILE H H 1 7.651 0.003 . 1 7 . . . 55 I H . 16912 1 701 . 1 1 54 54 ILE HA H 1 3.688 0.003 . 1 10 . . . 55 I HA . 16912 1 702 . 1 1 54 54 ILE HB H 1 1.972 0.002 . 1 10 . . . 55 I HB . 16912 1 703 . 1 1 54 54 ILE HD11 H 1 0.977 0.001 . . 11 . . . 55 I HD1# . 16912 1 704 . 1 1 54 54 ILE HD12 H 1 0.977 0.001 . . 11 . . . 55 I HD1# . 16912 1 705 . 1 1 54 54 ILE HD13 H 1 0.977 0.001 . . 11 . . . 55 I HD1# . 16912 1 706 . 1 1 54 54 ILE HG12 H 1 1.753 0.004 . 2 7 . . . 55 I HG12 . 16912 1 707 . 1 1 54 54 ILE HG13 H 1 0.977 0.001 . 2 5 . . . 55 I HG13 . 16912 1 708 . 1 1 54 54 ILE HG21 H 1 1.077 0.001 . . 11 . . . 55 I HG2# . 16912 1 709 . 1 1 54 54 ILE HG22 H 1 1.077 0.001 . . 11 . . . 55 I HG2# . 16912 1 710 . 1 1 54 54 ILE HG23 H 1 1.077 0.001 . . 11 . . . 55 I HG2# . 16912 1 711 . 1 1 54 54 ILE C C 13 176.682 0.007 . 1 4 . . . 55 I C . 16912 1 712 . 1 1 54 54 ILE CA C 13 66.611 0.008 . 1 6 . . . 55 I CA . 16912 1 713 . 1 1 54 54 ILE CB C 13 37.825 0.051 . 1 6 . . . 55 I CB . 16912 1 714 . 1 1 54 54 ILE CD1 C 13 13.249 0.012 . 1 5 . . . 55 I CD1 . 16912 1 715 . 1 1 54 54 ILE CG1 C 13 29.455 0.029 . 1 7 . . . 55 I CG1 . 16912 1 716 . 1 1 54 54 ILE CG2 C 13 17.707 0.028 . 1 5 . . . 55 I CG2 . 16912 1 717 . 1 1 54 54 ILE N N 15 119.774 0.023 . 1 8 . . . 55 I N . 16912 1 718 . 1 1 55 55 ALA H H 1 8.118 0.001 . 1 2 . . . 56 A H . 16912 1 719 . 1 1 55 55 ALA HA H 1 4.184 0.004 . 1 2 . . . 56 A HA . 16912 1 720 . 1 1 55 55 ALA HB1 H 1 1.492 0.002 . 1 4 . . . 56 A HB# . 16912 1 721 . 1 1 55 55 ALA HB2 H 1 1.492 0.002 . 1 4 . . . 56 A HB# . 16912 1 722 . 1 1 55 55 ALA HB3 H 1 1.492 0.002 . 1 4 . . . 56 A HB# . 16912 1 723 . 1 1 55 55 ALA C C 13 180.740 0.002 . 1 3 . . . 56 A C . 16912 1 724 . 1 1 55 55 ALA CA C 13 55.535 0.021 . 1 2 . . . 56 A CA . 16912 1 725 . 1 1 55 55 ALA CB C 13 17.756 0.073 . 1 4 . . . 56 A CB . 16912 1 726 . 1 1 55 55 ALA N N 15 122.841 0.010 . 1 5 . . . 56 A N . 16912 1 727 . 1 1 56 56 GLN H H 1 7.844 0.004 . 1 6 . . . 57 Q H . 16912 1 728 . 1 1 56 56 GLN HA H 1 3.995 0.007 . 1 5 . . . 57 Q HA . 16912 1 729 . 1 1 56 56 GLN HB2 H 1 2.195 0.003 . 2 2 . . . 57 Q HB2 . 16912 1 730 . 1 1 56 56 GLN HB3 H 1 2.087 0.002 . 2 3 . . . 57 Q HB3 . 16912 1 731 . 1 1 56 56 GLN HE21 H 1 8.027 0.000 . 2 1 . . . 57 Q HE21 . 16912 1 732 . 1 1 56 56 GLN HE22 H 1 6.863 0.000 . 2 1 . . . 57 Q HE22 . 16912 1 733 . 1 1 56 56 GLN HG2 H 1 2.534 0.004 . 2 7 . . . 57 Q HG2 . 16912 1 734 . 1 1 56 56 GLN HG3 H 1 2.461 0.003 . 2 7 . . . 57 Q HG3 . 16912 1 735 . 1 1 56 56 GLN C C 13 176.704 0.023 . 1 2 . . . 57 Q C . 16912 1 736 . 1 1 56 56 GLN CA C 13 58.039 0.062 . 1 4 . . . 57 Q CA . 16912 1 737 . 1 1 56 56 GLN CB C 13 28.590 0.100 . 1 4 . . . 57 Q CB . 16912 1 738 . 1 1 56 56 GLN CG C 13 33.430 0.000 . 1 7 . . . 57 Q CG . 16912 1 739 . 1 1 56 56 GLN N N 15 117.466 0.020 . 1 7 . . . 57 Q N . 16912 1 740 . 1 1 56 56 GLN NE2 N 15 115.560 0.015 . 1 2 . . . 57 Q NE2 . 16912 1 741 . 1 1 57 57 PHE H H 1 7.974 0.005 . 1 5 . . . 58 F H . 16912 1 742 . 1 1 57 57 PHE HA H 1 4.886 0.001 . 1 4 . . . 58 F HA . 16912 1 743 . 1 1 57 57 PHE HB2 H 1 3.440 0.006 . 2 4 . . . 58 F HB2 . 16912 1 744 . 1 1 57 57 PHE HB3 H 1 3.409 0.005 . 2 4 . . . 58 F HB3 . 16912 1 745 . 1 1 57 57 PHE HD1 H 1 7.094 0.000 . 3 2 . . . 58 F QD . 16912 1 746 . 1 1 57 57 PHE HD2 H 1 7.094 0.000 . 3 2 . . . 58 F QD . 16912 1 747 . 1 1 57 57 PHE HE1 H 1 6.573 0.002 . 3 2 . . . 58 F QE . 16912 1 748 . 1 1 57 57 PHE HE2 H 1 6.573 0.002 . 3 2 . . . 58 F QE . 16912 1 749 . 1 1 57 57 PHE C C 13 176.001 0.004 . 1 3 . . . 58 F C . 16912 1 750 . 1 1 57 57 PHE CA C 13 58.244 0.042 . 1 3 . . . 58 F CA . 16912 1 751 . 1 1 57 57 PHE CB C 13 39.297 0.079 . 1 5 . . . 58 F CB . 16912 1 752 . 1 1 57 57 PHE CD1 C 13 131.740 0.000 . . 1 . . . 58 F CD# . 16912 1 753 . 1 1 57 57 PHE CD2 C 13 131.740 0.000 . . 1 . . . 58 F CD# . 16912 1 754 . 1 1 57 57 PHE CE1 C 13 129.826 0.000 . . 1 . . . 58 F CE# . 16912 1 755 . 1 1 57 57 PHE CE2 C 13 129.826 0.000 . . 1 . . . 58 F CE# . 16912 1 756 . 1 1 57 57 PHE N N 15 120.305 0.019 . 1 6 . . . 58 F N . 16912 1 757 . 1 1 58 58 TYR H H 1 8.370 0.006 . 1 5 . . . 59 Y H . 16912 1 758 . 1 1 58 58 TYR HA H 1 3.340 0.002 . 1 4 . . . 59 Y HA . 16912 1 759 . 1 1 58 58 TYR HB2 H 1 2.933 0.004 . 2 4 . . . 59 Y HB2 . 16912 1 760 . 1 1 58 58 TYR HB3 H 1 2.720 0.002 . 2 4 . . . 59 Y HB3 . 16912 1 761 . 1 1 58 58 TYR HD1 H 1 6.312 0.002 . 3 3 . . . 59 Y QD . 16912 1 762 . 1 1 58 58 TYR HD2 H 1 6.312 0.002 . 3 3 . . . 59 Y QD . 16912 1 763 . 1 1 58 58 TYR HE1 H 1 6.622 0.000 . 3 3 . . . 59 Y QE . 16912 1 764 . 1 1 58 58 TYR HE2 H 1 6.622 0.000 . 3 3 . . . 59 Y QE . 16912 1 765 . 1 1 58 58 TYR C C 13 177.990 0.003 . 1 3 . . . 59 Y C . 16912 1 766 . 1 1 58 58 TYR CA C 13 62.201 0.087 . 1 4 . . . 59 Y CA . 16912 1 767 . 1 1 58 58 TYR CB C 13 37.785 0.088 . 1 6 . . . 59 Y CB . 16912 1 768 . 1 1 58 58 TYR CD1 C 13 132.818 0.034 . . 2 . . . 59 Y CD# . 16912 1 769 . 1 1 58 58 TYR CD2 C 13 132.818 0.034 . . 2 . . . 59 Y CD# . 16912 1 770 . 1 1 58 58 TYR CE1 C 13 117.964 0.011 . . 2 . . . 59 Y CE# . 16912 1 771 . 1 1 58 58 TYR CE2 C 13 117.964 0.011 . . 2 . . . 59 Y CE# . 16912 1 772 . 1 1 58 58 TYR N N 15 118.318 0.088 . 1 6 . . . 59 Y N . 16912 1 773 . 1 1 59 59 THR H H 1 7.899 0.001 . 1 7 . . . 60 T H . 16912 1 774 . 1 1 59 59 THR HA H 1 3.732 0.002 . 1 4 . . . 60 T HA . 16912 1 775 . 1 1 59 59 THR HB H 1 4.348 0.002 . 1 5 . . . 60 T HB . 16912 1 776 . 1 1 59 59 THR HG21 H 1 1.231 0.002 . . 5 . . . 60 T HG2# . 16912 1 777 . 1 1 59 59 THR HG22 H 1 1.231 0.002 . . 5 . . . 60 T HG2# . 16912 1 778 . 1 1 59 59 THR HG23 H 1 1.231 0.002 . . 5 . . . 60 T HG2# . 16912 1 779 . 1 1 59 59 THR C C 13 175.950 0.005 . 1 4 . . . 60 T C . 16912 1 780 . 1 1 59 59 THR CA C 13 67.153 0.024 . 1 4 . . . 60 T CA . 16912 1 781 . 1 1 59 59 THR CB C 13 68.617 0.072 . 1 5 . . . 60 T CB . 16912 1 782 . 1 1 59 59 THR CG2 C 13 21.968 0.006 . 1 2 . . . 60 T CG2 . 16912 1 783 . 1 1 59 59 THR N N 15 116.566 0.027 . 1 8 . . . 60 T N . 16912 1 784 . 1 1 60 60 ASP H H 1 8.715 0.001 . 1 7 . . . 61 D H . 16912 1 785 . 1 1 60 60 ASP HA H 1 4.361 0.003 . 1 4 . . . 61 D HA . 16912 1 786 . 1 1 60 60 ASP HB2 H 1 2.876 0.006 . 2 3 . . . 61 D HB2 . 16912 1 787 . 1 1 60 60 ASP HB3 H 1 2.504 0.002 . 2 3 . . . 61 D HB3 . 16912 1 788 . 1 1 60 60 ASP C C 13 178.771 0.000 . 1 1 . . . 61 D C . 16912 1 789 . 1 1 60 60 ASP CA C 13 57.795 0.021 . 1 3 . . . 61 D CA . 16912 1 790 . 1 1 60 60 ASP CB C 13 40.316 0.042 . 1 4 . . . 61 D CB . 16912 1 791 . 1 1 60 60 ASP N N 15 122.771 0.023 . 1 9 . . . 61 D N . 16912 1 792 . 1 1 61 61 LEU H H 1 8.080 0.003 . 1 4 . . . 62 L H . 16912 1 793 . 1 1 61 61 LEU HA H 1 3.252 0.003 . 1 14 . . . 62 L HA . 16912 1 794 . 1 1 61 61 LEU HB2 H 1 0.597 0.003 . 2 10 . . . 62 L HB2 . 16912 1 795 . 1 1 61 61 LEU HB3 H 1 -0.084 0.006 . 2 14 . . . 62 L HB3 . 16912 1 796 . 1 1 61 61 LEU HD11 H 1 -0.765 0.005 . 2 15 . . . 62 L HD1# . 16912 1 797 . 1 1 61 61 LEU HD12 H 1 -0.765 0.005 . 2 15 . . . 62 L HD1# . 16912 1 798 . 1 1 61 61 LEU HD13 H 1 -0.765 0.005 . 2 15 . . . 62 L HD1# . 16912 1 799 . 1 1 61 61 LEU HD21 H 1 -0.795 0.003 . 2 16 . . . 62 L HD2# . 16912 1 800 . 1 1 61 61 LEU HD22 H 1 -0.795 0.003 . 2 16 . . . 62 L HD2# . 16912 1 801 . 1 1 61 61 LEU HD23 H 1 -0.795 0.003 . 2 16 . . . 62 L HD2# . 16912 1 802 . 1 1 61 61 LEU HG H 1 0.351 0.002 . 1 11 . . . 62 L HG . 16912 1 803 . 1 1 61 61 LEU C C 13 177.581 0.013 . 1 3 . . . 62 L C . 16912 1 804 . 1 1 61 61 LEU CA C 13 57.610 0.055 . 1 8 . . . 62 L CA . 16912 1 805 . 1 1 61 61 LEU CB C 13 40.950 0.074 . 1 12 . . . 62 L CB . 16912 1 806 . 1 1 61 61 LEU CD1 C 13 21.619 0.024 . 2 10 . . . 62 L CD1 . 16912 1 807 . 1 1 61 61 LEU CD2 C 13 23.680 0.017 . 2 10 . . . 62 L CD2 . 16912 1 808 . 1 1 61 61 LEU CG C 13 25.091 0.008 . 1 4 . . . 62 L CG . 16912 1 809 . 1 1 61 61 LEU N N 15 120.093 0.000 . 1 4 . . . 62 L N . 16912 1 810 . 1 1 62 62 ASN H H 1 7.025 0.002 . 1 7 . . . 63 N H . 16912 1 811 . 1 1 62 62 ASN HA H 1 4.446 0.005 . 1 4 . . . 63 N HA . 16912 1 812 . 1 1 62 62 ASN HB2 H 1 2.824 0.008 . 2 2 . . . 63 N HB2 . 16912 1 813 . 1 1 62 62 ASN HB3 H 1 2.603 0.006 . 2 2 . . . 63 N HB3 . 16912 1 814 . 1 1 62 62 ASN HD21 H 1 7.091 0.000 . 2 1 . . . 63 N HD21 . 16912 1 815 . 1 1 62 62 ASN HD22 H 1 5.374 0.000 . 2 1 . . . 63 N HD22 . 16912 1 816 . 1 1 62 62 ASN C C 13 176.826 0.000 . 1 1 . . . 63 N C . 16912 1 817 . 1 1 62 62 ASN CA C 13 56.089 0.027 . 1 4 . . . 63 N CA . 16912 1 818 . 1 1 62 62 ASN CB C 13 40.398 0.107 . 1 3 . . . 63 N CB . 16912 1 819 . 1 1 62 62 ASN N N 15 112.459 0.023 . 1 8 . . . 63 N N . 16912 1 820 . 1 1 62 62 ASN ND2 N 15 112.683 0.005 . 1 2 . . . 63 N ND2 . 16912 1 821 . 1 1 63 63 ILE H H 1 7.761 0.001 . 1 5 . . . 64 I H . 16912 1 822 . 1 1 63 63 ILE HA H 1 4.384 0.003 . 1 11 . . . 64 I HA . 16912 1 823 . 1 1 63 63 ILE HB H 1 2.035 0.003 . 1 12 . . . 64 I HB . 16912 1 824 . 1 1 63 63 ILE HD11 H 1 0.841 0.004 . . 6 . . . 64 I HD1# . 16912 1 825 . 1 1 63 63 ILE HD12 H 1 0.841 0.004 . . 6 . . . 64 I HD1# . 16912 1 826 . 1 1 63 63 ILE HD13 H 1 0.841 0.004 . . 6 . . . 64 I HD1# . 16912 1 827 . 1 1 63 63 ILE HG12 H 1 1.450 0.003 . 2 5 . . . 64 I HG12 . 16912 1 828 . 1 1 63 63 ILE HG13 H 1 1.417 0.001 . 2 7 . . . 64 I HG13 . 16912 1 829 . 1 1 63 63 ILE HG21 H 1 0.931 0.004 . . 7 . . . 64 I HG2# . 16912 1 830 . 1 1 63 63 ILE HG22 H 1 0.931 0.004 . . 7 . . . 64 I HG2# . 16912 1 831 . 1 1 63 63 ILE HG23 H 1 0.931 0.004 . . 7 . . . 64 I HG2# . 16912 1 832 . 1 1 63 63 ILE C C 13 176.586 0.005 . 1 4 . . . 64 I C . 16912 1 833 . 1 1 63 63 ILE CA C 13 61.809 0.035 . 1 7 . . . 64 I CA . 16912 1 834 . 1 1 63 63 ILE CB C 13 39.450 0.027 . 1 7 . . . 64 I CB . 16912 1 835 . 1 1 63 63 ILE CD1 C 13 13.590 0.005 . 1 4 . . . 64 I CD1 . 16912 1 836 . 1 1 63 63 ILE CG1 C 13 27.035 0.024 . 1 4 . . . 64 I CG1 . 16912 1 837 . 1 1 63 63 ILE CG2 C 13 17.496 0.012 . 1 4 . . . 64 I CG2 . 16912 1 838 . 1 1 63 63 ILE N N 15 113.884 0.029 . 1 5 . . . 64 I N . 16912 1 839 . 1 1 64 64 ASP H H 1 8.041 0.009 . 1 3 . . . 65 D H . 16912 1 840 . 1 1 64 64 ASP HA H 1 4.441 0.002 . 1 4 . . . 65 D HA . 16912 1 841 . 1 1 64 64 ASP HB2 H 1 3.133 0.000 . 2 1 . . . 65 D HB2 . 16912 1 842 . 1 1 64 64 ASP HB3 H 1 2.908 0.000 . 2 1 . . . 65 D HB3 . 16912 1 843 . 1 1 64 64 ASP CA C 13 56.329 0.000 . 1 1 . . . 65 D CA . 16912 1 844 . 1 1 64 64 ASP CB C 13 43.242 0.011 . 1 2 . . . 65 D CB . 16912 1 845 . 1 1 64 64 ASP N N 15 124.075 0.079 . 1 5 . . . 65 D N . 16912 1 846 . 1 1 65 65 GLY H H 1 8.790 0.000 . 1 1 . . . 66 G H . 16912 1 847 . 1 1 65 65 GLY HA2 H 1 4.166 0.000 . 2 1 . . . 66 G HA2 . 16912 1 848 . 1 1 65 65 GLY HA3 H 1 3.958 0.000 . 2 1 . . . 66 G HA3 . 16912 1 849 . 1 1 65 65 GLY C C 13 176.041 0.002 . 1 3 . . . 66 G C . 16912 1 850 . 1 1 65 65 GLY CA C 13 46.040 0.053 . 1 2 . . . 66 G CA . 16912 1 851 . 1 1 65 65 GLY N N 15 110.445 0.000 . 1 1 . . . 66 G N . 16912 1 852 . 1 1 66 66 ARG H H 1 9.069 0.002 . 1 6 . . . 67 R H . 16912 1 853 . 1 1 66 66 ARG HB2 H 1 1.692 0.001 . 2 2 . . . 67 R HB2 . 16912 1 854 . 1 1 66 66 ARG HB3 H 1 1.632 0.000 . 2 2 . . . 67 R HB3 . 16912 1 855 . 1 1 66 66 ARG HD2 H 1 2.984 0.003 . 2 4 . . . 67 R HD2 . 16912 1 856 . 1 1 66 66 ARG HD3 H 1 2.934 0.004 . 2 4 . . . 67 R HD3 . 16912 1 857 . 1 1 66 66 ARG C C 13 177.778 0.001 . 1 2 . . . 67 R C . 16912 1 858 . 1 1 66 66 ARG CA C 13 57.724 0.000 . 1 1 . . . 67 R CA . 16912 1 859 . 1 1 66 66 ARG CB C 13 30.139 0.058 . 1 5 . . . 67 R CB . 16912 1 860 . 1 1 66 66 ARG CD C 13 41.946 0.000 . 1 2 . . . 67 R CD . 16912 1 861 . 1 1 66 66 ARG N N 15 117.953 0.032 . 1 7 . . . 67 R N . 16912 1 862 . 1 1 67 67 PHE H H 1 8.239 0.005 . 1 4 . . . 68 F H . 16912 1 863 . 1 1 67 67 PHE HA H 1 5.110 0.004 . 1 4 . . . 68 F HA . 16912 1 864 . 1 1 67 67 PHE HB2 H 1 3.479 0.005 . 2 4 . . . 68 F HB2 . 16912 1 865 . 1 1 67 67 PHE HB3 H 1 3.303 0.003 . 2 4 . . . 68 F HB3 . 16912 1 866 . 1 1 67 67 PHE HD1 H 1 7.234 0.005 . 3 3 . . . 68 F QD . 16912 1 867 . 1 1 67 67 PHE HD2 H 1 7.234 0.005 . 3 3 . . . 68 F QD . 16912 1 868 . 1 1 67 67 PHE HE1 H 1 7.069 0.000 . 3 2 . . . 68 F QE . 16912 1 869 . 1 1 67 67 PHE HE2 H 1 7.069 0.000 . 3 2 . . . 68 F QE . 16912 1 870 . 1 1 67 67 PHE HZ H 1 7.485 0.015 . 1 3 . . . 68 F HZ . 16912 1 871 . 1 1 67 67 PHE C C 13 174.053 0.004 . 1 3 . . . 68 F C . 16912 1 872 . 1 1 67 67 PHE CA C 13 56.895 0.022 . 1 3 . . . 68 F CA . 16912 1 873 . 1 1 67 67 PHE CB C 13 41.570 0.030 . 1 6 . . . 68 F CB . 16912 1 874 . 1 1 67 67 PHE CD1 C 13 132.709 0.000 . . 1 . . . 68 F CD# . 16912 1 875 . 1 1 67 67 PHE CD2 C 13 132.709 0.000 . . 1 . . . 68 F CD# . 16912 1 876 . 1 1 67 67 PHE CE1 C 13 130.391 0.050 . . 2 . . . 68 F CE# . 16912 1 877 . 1 1 67 67 PHE CE2 C 13 130.391 0.050 . . 2 . . . 68 F CE# . 16912 1 878 . 1 1 67 67 PHE CZ C 13 131.035 0.000 . 1 1 . . . 68 F CZ . 16912 1 879 . 1 1 67 67 PHE N N 15 119.061 0.022 . 1 5 . . . 68 F N . 16912 1 880 . 1 1 68 68 LEU H H 1 8.710 0.002 . 1 6 . . . 69 L H . 16912 1 881 . 1 1 68 68 LEU HA H 1 4.612 0.008 . 1 10 . . . 69 L HA . 16912 1 882 . 1 1 68 68 LEU HB2 H 1 1.262 0.004 . 2 7 . . . 69 L HB2 . 16912 1 883 . 1 1 68 68 LEU HB3 H 1 1.039 0.002 . 2 4 . . . 69 L HB3 . 16912 1 884 . 1 1 68 68 LEU HD11 H 1 0.765 0.002 . 2 7 . . . 69 L HD1# . 16912 1 885 . 1 1 68 68 LEU HD12 H 1 0.765 0.002 . 2 7 . . . 69 L HD1# . 16912 1 886 . 1 1 68 68 LEU HD13 H 1 0.765 0.002 . 2 7 . . . 69 L HD1# . 16912 1 887 . 1 1 68 68 LEU HD21 H 1 0.564 0.002 . 2 9 . . . 69 L HD2# . 16912 1 888 . 1 1 68 68 LEU HD22 H 1 0.564 0.002 . 2 9 . . . 69 L HD2# . 16912 1 889 . 1 1 68 68 LEU HD23 H 1 0.564 0.002 . 2 9 . . . 69 L HD2# . 16912 1 890 . 1 1 68 68 LEU HG H 1 1.102 0.005 . 1 7 . . . 69 L HG . 16912 1 891 . 1 1 68 68 LEU C C 13 172.938 0.003 . 1 2 . . . 69 L C . 16912 1 892 . 1 1 68 68 LEU CA C 13 54.010 0.025 . 1 7 . . . 69 L CA . 16912 1 893 . 1 1 68 68 LEU CB C 13 46.627 0.060 . 1 9 . . . 69 L CB . 16912 1 894 . 1 1 68 68 LEU CD1 C 13 24.060 0.016 . 2 2 . . . 69 L CD1 . 16912 1 895 . 1 1 68 68 LEU CD2 C 13 25.903 0.013 . 2 4 . . . 69 L CD2 . 16912 1 896 . 1 1 68 68 LEU CG C 13 26.968 0.038 . 1 4 . . . 69 L CG . 16912 1 897 . 1 1 68 68 LEU N N 15 122.545 0.024 . 1 7 . . . 69 L N . 16912 1 898 . 1 1 69 69 ALA H H 1 8.100 0.002 . 1 6 . . . 70 A H . 16912 1 899 . 1 1 69 69 ALA HA H 1 3.579 0.001 . 1 2 . . . 70 A HA . 16912 1 900 . 1 1 69 69 ALA HB1 H 1 0.323 0.000 . 1 2 . . . 70 A HB# . 16912 1 901 . 1 1 69 69 ALA HB2 H 1 0.323 0.000 . 1 2 . . . 70 A HB# . 16912 1 902 . 1 1 69 69 ALA HB3 H 1 0.323 0.000 . 1 2 . . . 70 A HB# . 16912 1 903 . 1 1 69 69 ALA C C 13 177.102 0.024 . 1 3 . . . 70 A C . 16912 1 904 . 1 1 69 69 ALA CA C 13 50.866 0.042 . 1 2 . . . 70 A CA . 16912 1 905 . 1 1 69 69 ALA CB C 13 17.266 0.060 . 1 2 . . . 70 A CB . 16912 1 906 . 1 1 69 69 ALA N N 15 128.758 0.026 . 1 7 . . . 70 A N . 16912 1 907 . 1 1 70 70 LEU H H 1 8.194 0.007 . 1 5 . . . 71 L H . 16912 1 908 . 1 1 70 70 LEU HA H 1 4.224 0.002 . 1 8 . . . 71 L HA . 16912 1 909 . 1 1 70 70 LEU HB2 H 1 1.629 0.004 . 2 2 . . . 71 L HB2 . 16912 1 910 . 1 1 70 70 LEU HB3 H 1 1.430 0.008 . 2 2 . . . 71 L HB3 . 16912 1 911 . 1 1 70 70 LEU HD11 H 1 0.715 0.004 . 2 6 . . . 71 L HD1# . 16912 1 912 . 1 1 70 70 LEU HD12 H 1 0.715 0.004 . 2 6 . . . 71 L HD1# . 16912 1 913 . 1 1 70 70 LEU HD13 H 1 0.715 0.004 . 2 6 . . . 71 L HD1# . 16912 1 914 . 1 1 70 70 LEU HD21 H 1 0.478 0.001 . 2 10 . . . 71 L HD2# . 16912 1 915 . 1 1 70 70 LEU HD22 H 1 0.478 0.001 . 2 10 . . . 71 L HD2# . 16912 1 916 . 1 1 70 70 LEU HD23 H 1 0.478 0.001 . 2 10 . . . 71 L HD2# . 16912 1 917 . 1 1 70 70 LEU HG H 1 1.325 0.003 . 1 6 . . . 71 L HG . 16912 1 918 . 1 1 70 70 LEU C C 13 178.718 0.047 . 1 3 . . . 71 L C . 16912 1 919 . 1 1 70 70 LEU CA C 13 54.496 0.178 . 1 6 . . . 71 L CA . 16912 1 920 . 1 1 70 70 LEU CB C 13 41.601 0.833 . 1 3 . . . 71 L CB . 16912 1 921 . 1 1 70 70 LEU CD1 C 13 24.606 0.034 . 2 3 . . . 71 L CD1 . 16912 1 922 . 1 1 70 70 LEU CD2 C 13 23.346 0.028 . 2 4 . . . 71 L CD2 . 16912 1 923 . 1 1 70 70 LEU CG C 13 28.156 0.017 . 1 3 . . . 71 L CG . 16912 1 924 . 1 1 70 70 LEU N N 15 125.515 0.107 . 1 6 . . . 71 L N . 16912 1 925 . 1 1 71 71 SER H H 1 8.269 0.010 . 1 5 . . . 72 S H . 16912 1 926 . 1 1 71 71 SER HA H 1 4.127 0.001 . 1 4 . . . 72 S HA . 16912 1 927 . 1 1 71 71 SER HB2 H 1 3.918 0.007 . 2 6 . . . 72 S HB2 . 16912 1 928 . 1 1 71 71 SER HB3 H 1 3.861 0.005 . 2 6 . . . 72 S HB3 . 16912 1 929 . 1 1 71 71 SER C C 13 174.048 0.000 . 1 2 . . . 72 S C . 16912 1 930 . 1 1 71 71 SER CA C 13 60.254 0.325 . 1 3 . . . 72 S CA . 16912 1 931 . 1 1 71 71 SER CB C 13 63.323 0.049 . 1 7 . . . 72 S CB . 16912 1 932 . 1 1 71 71 SER N N 15 114.923 0.018 . 1 6 . . . 72 S N . 16912 1 933 . 1 1 72 72 ASP H H 1 8.101 0.002 . 1 2 . . . 73 D H . 16912 1 934 . 1 1 72 72 ASP HA H 1 4.451 0.005 . 1 2 . . . 73 D HA . 16912 1 935 . 1 1 72 72 ASP HB2 H 1 2.878 0.010 . 2 4 . . . 73 D HB2 . 16912 1 936 . 1 1 72 72 ASP HB3 H 1 2.578 0.003 . 2 2 . . . 73 D HB3 . 16912 1 937 . 1 1 72 72 ASP C C 13 176.023 0.004 . 1 3 . . . 73 D C . 16912 1 938 . 1 1 72 72 ASP CA C 13 53.879 0.062 . 1 2 . . . 73 D CA . 16912 1 939 . 1 1 72 72 ASP CB C 13 39.629 0.018 . 1 4 . . . 73 D CB . 16912 1 940 . 1 1 72 72 ASP N N 15 119.749 0.015 . 1 3 . . . 73 D N . 16912 1 941 . 1 1 73 73 GLN H H 1 8.156 0.003 . 1 7 . . . 74 Q H . 16912 1 942 . 1 1 73 73 GLN HA H 1 4.002 0.001 . 1 3 . . . 74 Q HA . 16912 1 943 . 1 1 73 73 GLN HB2 H 1 2.437 0.005 . 2 5 . . . 74 Q QB . 16912 1 944 . 1 1 73 73 GLN HB3 H 1 2.437 0.005 . 2 5 . . . 74 Q QB . 16912 1 945 . 1 1 73 73 GLN HE21 H 1 7.518 0.000 . 2 1 . . . 74 Q HE21 . 16912 1 946 . 1 1 73 73 GLN HE22 H 1 6.791 0.000 . 2 1 . . . 74 Q HE22 . 16912 1 947 . 1 1 73 73 GLN HG2 H 1 2.341 0.001 . 2 4 . . . 74 Q QG . 16912 1 948 . 1 1 73 73 GLN HG3 H 1 2.341 0.001 . 2 4 . . . 74 Q QG . 16912 1 949 . 1 1 73 73 GLN C C 13 175.541 0.001 . 1 3 . . . 74 Q C . 16912 1 950 . 1 1 73 73 GLN CA C 13 57.264 0.044 . 1 3 . . . 74 Q CA . 16912 1 951 . 1 1 73 73 GLN CB C 13 26.722 0.073 . 1 5 . . . 74 Q CB . 16912 1 952 . 1 1 73 73 GLN CG C 13 34.525 0.003 . 1 2 . . . 74 Q CG . 16912 1 953 . 1 1 73 73 GLN N N 15 110.863 0.043 . 1 8 . . . 74 Q N . 16912 1 954 . 1 1 73 73 GLN NE2 N 15 112.773 0.010 . 1 2 . . . 74 Q NE2 . 16912 1 955 . 1 1 74 74 THR H H 1 7.235 0.001 . 1 7 . . . 75 T H . 16912 1 956 . 1 1 74 74 THR HA H 1 4.635 0.002 . 1 3 . . . 75 T HA . 16912 1 957 . 1 1 74 74 THR HB H 1 3.884 0.005 . 1 4 . . . 75 T HB . 16912 1 958 . 1 1 74 74 THR HG21 H 1 1.064 0.005 . . 3 . . . 75 T HG2# . 16912 1 959 . 1 1 74 74 THR HG22 H 1 1.064 0.005 . . 3 . . . 75 T HG2# . 16912 1 960 . 1 1 74 74 THR HG23 H 1 1.064 0.005 . . 3 . . . 75 T HG2# . 16912 1 961 . 1 1 74 74 THR C C 13 172.635 0.005 . 1 3 . . . 75 T C . 16912 1 962 . 1 1 74 74 THR CA C 13 61.816 0.050 . 1 3 . . . 75 T CA . 16912 1 963 . 1 1 74 74 THR CB C 13 71.449 0.020 . 1 3 . . . 75 T CB . 16912 1 964 . 1 1 74 74 THR CG2 C 13 22.020 0.000 . 1 1 . . . 75 T CG2 . 16912 1 965 . 1 1 74 74 THR N N 15 110.226 0.057 . 1 8 . . . 75 T N . 16912 1 966 . 1 1 75 75 TRP H H 1 8.611 0.005 . 1 5 . . . 76 W H . 16912 1 967 . 1 1 75 75 TRP HA H 1 5.221 0.002 . 1 4 . . . 76 W HA . 16912 1 968 . 1 1 75 75 TRP HB2 H 1 3.330 0.001 . 2 2 . . . 76 W QB . 16912 1 969 . 1 1 75 75 TRP HB3 H 1 3.330 0.001 . 2 2 . . . 76 W QB . 16912 1 970 . 1 1 75 75 TRP HD1 H 1 7.186 0.000 . 1 1 . . . 76 W HD1 . 16912 1 971 . 1 1 75 75 TRP HE1 H 1 9.904 0.004 . 1 5 . . . 76 W HE1 . 16912 1 972 . 1 1 75 75 TRP HE3 H 1 7.345 0.001 . 1 2 . . . 76 W HE3 . 16912 1 973 . 1 1 75 75 TRP HH2 H 1 6.713 0.004 . 1 2 . . . 76 W HH2 . 16912 1 974 . 1 1 75 75 TRP HZ2 H 1 6.993 0.002 . 1 4 . . . 76 W HZ2 . 16912 1 975 . 1 1 75 75 TRP HZ3 H 1 6.740 0.002 . 1 3 . . . 76 W HZ3 . 16912 1 976 . 1 1 75 75 TRP C C 13 174.756 0.004 . 1 3 . . . 76 W C . 16912 1 977 . 1 1 75 75 TRP CA C 13 56.999 0.101 . 1 4 . . . 76 W CA . 16912 1 978 . 1 1 75 75 TRP CB C 13 33.424 0.107 . 1 3 . . . 76 W CB . 16912 1 979 . 1 1 75 75 TRP CD1 C 13 124.310 0.000 . 1 1 . . . 76 W CD1 . 16912 1 980 . 1 1 75 75 TRP CE3 C 13 119.547 0.000 . 1 1 . . . 76 W CE3 . 16912 1 981 . 1 1 75 75 TRP CH2 C 13 124.453 0.000 . 1 1 . . . 76 W CH2 . 16912 1 982 . 1 1 75 75 TRP CZ2 C 13 113.873 0.009 . 1 2 . . . 76 W CZ2 . 16912 1 983 . 1 1 75 75 TRP CZ3 C 13 122.316 0.037 . 1 2 . . . 76 W CZ3 . 16912 1 984 . 1 1 75 75 TRP N N 15 121.594 0.045 . 1 6 . . . 76 W N . 16912 1 985 . 1 1 75 75 TRP NE1 N 15 126.516 0.000 . 1 1 . . . 76 W NE1 . 16912 1 986 . 1 1 76 76 GLY H H 1 8.564 0.002 . 1 6 . . . 77 G H . 16912 1 987 . 1 1 76 76 GLY HA2 H 1 3.821 0.011 . 2 4 . . . 77 G HA2 . 16912 1 988 . 1 1 76 76 GLY HA3 H 1 3.440 0.007 . 2 4 . . . 77 G HA3 . 16912 1 989 . 1 1 76 76 GLY C C 13 171.720 0.064 . 1 4 . . . 77 G C . 16912 1 990 . 1 1 76 76 GLY CA C 13 44.374 0.119 . 1 6 . . . 77 G CA . 16912 1 991 . 1 1 76 76 GLY N N 15 104.223 0.050 . 1 6 . . . 77 G N . 16912 1 992 . 1 1 77 77 LEU H H 1 4.077 0.005 . 1 6 . . . 78 L H . 16912 1 993 . 1 1 77 77 LEU HA H 1 4.399 0.006 . 1 11 . . . 78 L HA . 16912 1 994 . 1 1 77 77 LEU HB2 H 1 0.759 0.004 . 2 8 . . . 78 L HB2 . 16912 1 995 . 1 1 77 77 LEU HB3 H 1 -0.732 0.005 . 2 12 . . . 78 L HB3 . 16912 1 996 . 1 1 77 77 LEU HD11 H 1 0.493 0.004 . 2 12 . . . 78 L HD1# . 16912 1 997 . 1 1 77 77 LEU HD12 H 1 0.493 0.004 . 2 12 . . . 78 L HD1# . 16912 1 998 . 1 1 77 77 LEU HD13 H 1 0.493 0.004 . 2 12 . . . 78 L HD1# . 16912 1 999 . 1 1 77 77 LEU HD21 H 1 0.191 0.006 . 2 12 . . . 78 L HD2# . 16912 1 1000 . 1 1 77 77 LEU HD22 H 1 0.191 0.006 . 2 12 . . . 78 L HD2# . 16912 1 1001 . 1 1 77 77 LEU HD23 H 1 0.191 0.006 . 2 12 . . . 78 L HD2# . 16912 1 1002 . 1 1 77 77 LEU HG H 1 0.367 0.007 . 1 9 . . . 78 L HG . 16912 1 1003 . 1 1 77 77 LEU C C 13 176.684 0.000 . 1 1 . . . 78 L C . 16912 1 1004 . 1 1 77 77 LEU CA C 13 52.514 0.141 . 1 6 . . . 78 L CA . 16912 1 1005 . 1 1 77 77 LEU CB C 13 40.116 0.071 . 1 15 . . . 78 L CB . 16912 1 1006 . 1 1 77 77 LEU CD1 C 13 24.512 0.034 . 2 5 . . . 78 L CD1 . 16912 1 1007 . 1 1 77 77 LEU CD2 C 13 23.990 0.014 . 2 5 . . . 78 L CD2 . 16912 1 1008 . 1 1 77 77 LEU CG C 13 25.973 0.020 . 1 3 . . . 78 L CG . 16912 1 1009 . 1 1 77 77 LEU N N 15 115.926 0.023 . 1 7 . . . 78 L N . 16912 1 1010 . 1 1 78 78 ARG H H 1 8.114 0.002 . 1 4 . . . 79 R H . 16912 1 1011 . 1 1 78 78 ARG HA H 1 3.806 0.002 . 1 7 . . . 79 R HA . 16912 1 1012 . 1 1 78 78 ARG HB2 H 1 1.670 0.001 . 2 4 . . . 79 R HB2 . 16912 1 1013 . 1 1 78 78 ARG HB3 H 1 1.470 0.003 . 2 3 . . . 79 R HB3 . 16912 1 1014 . 1 1 78 78 ARG HD2 H 1 3.271 0.005 . 2 10 . . . 79 R HD2 . 16912 1 1015 . 1 1 78 78 ARG HD3 H 1 3.160 0.002 . 2 11 . . . 79 R HD3 . 16912 1 1016 . 1 1 78 78 ARG HE H 1 7.101 0.000 . 1 1 . . . 79 R HE . 16912 1 1017 . 1 1 78 78 ARG HG2 H 1 1.632 0.003 . 2 5 . . . 79 R HG2 . 16912 1 1018 . 1 1 78 78 ARG HG3 H 1 1.488 0.006 . 2 4 . . . 79 R HG3 . 16912 1 1019 . 1 1 78 78 ARG C C 13 178.104 0.027 . 1 3 . . . 79 R C . 16912 1 1020 . 1 1 78 78 ARG CA C 13 59.092 0.039 . 1 4 . . . 79 R CA . 16912 1 1021 . 1 1 78 78 ARG CB C 13 30.129 0.107 . 1 7 . . . 79 R CB . 16912 1 1022 . 1 1 78 78 ARG CD C 13 43.177 0.014 . 1 9 . . . 79 R CD . 16912 1 1023 . 1 1 78 78 ARG CG C 13 27.845 0.042 . 1 6 . . . 79 R CG . 16912 1 1024 . 1 1 78 78 ARG N N 15 122.588 0.021 . 1 4 . . . 79 R N . 16912 1 1025 . 1 1 78 78 ARG NE N 15 83.729 0.000 . 1 1 . . . 79 R NE . 16912 1 1026 . 1 1 79 79 SER H H 1 8.148 0.008 . 1 7 . . . 80 S H . 16912 1 1027 . 1 1 79 79 SER HA H 1 4.126 0.003 . 1 4 . . . 80 S HA . 16912 1 1028 . 1 1 79 79 SER HB2 H 1 3.978 0.000 . 2 1 . . . 80 S HB2 . 16912 1 1029 . 1 1 79 79 SER HB3 H 1 3.721 0.003 . 2 3 . . . 80 S HB3 . 16912 1 1030 . 1 1 79 79 SER C C 13 175.458 0.006 . 1 3 . . . 80 S C . 16912 1 1031 . 1 1 79 79 SER CA C 13 59.835 0.069 . 1 4 . . . 80 S CA . 16912 1 1032 . 1 1 79 79 SER CB C 13 62.493 0.085 . 1 4 . . . 80 S CB . 16912 1 1033 . 1 1 79 79 SER N N 15 111.890 0.050 . 1 8 . . . 80 S N . 16912 1 1034 . 1 1 80 80 TRP H H 1 7.218 0.002 . 1 7 . . . 81 W H . 16912 1 1035 . 1 1 80 80 TRP HA H 1 4.586 0.003 . 1 3 . . . 81 W HA . 16912 1 1036 . 1 1 80 80 TRP HB2 H 1 2.967 0.000 . 2 1 . . . 81 W HB2 . 16912 1 1037 . 1 1 80 80 TRP HB3 H 1 2.531 0.002 . 2 2 . . . 81 W HB3 . 16912 1 1038 . 1 1 80 80 TRP HD1 H 1 6.907 0.002 . 1 2 . . . 81 W HD1 . 16912 1 1039 . 1 1 80 80 TRP HE1 H 1 10.468 0.004 . 1 3 . . . 81 W HE1 . 16912 1 1040 . 1 1 80 80 TRP HE3 H 1 7.692 0.001 . 1 2 . . . 81 W HE3 . 16912 1 1041 . 1 1 80 80 TRP HH2 H 1 7.215 0.002 . 1 2 . . . 81 W HH2 . 16912 1 1042 . 1 1 80 80 TRP HZ2 H 1 7.585 0.012 . 1 4 . . . 81 W HZ2 . 16912 1 1043 . 1 1 80 80 TRP HZ3 H 1 6.746 0.006 . 1 2 . . . 81 W HZ3 . 16912 1 1044 . 1 1 80 80 TRP C C 13 175.828 0.003 . 1 3 . . . 81 W C . 16912 1 1045 . 1 1 80 80 TRP CA C 13 55.273 0.026 . 1 2 . . . 81 W CA . 16912 1 1046 . 1 1 80 80 TRP CB C 13 28.645 0.030 . 1 4 . . . 81 W CB . 16912 1 1047 . 1 1 80 80 TRP CD1 C 13 124.714 0.111 . 1 2 . . . 81 W CD1 . 16912 1 1048 . 1 1 80 80 TRP CE3 C 13 120.265 0.000 . 1 1 . . . 81 W CE3 . 16912 1 1049 . 1 1 80 80 TRP CH2 C 13 124.713 0.000 . 1 1 . . . 81 W CH2 . 16912 1 1050 . 1 1 80 80 TRP CZ2 C 13 115.104 0.023 . 1 2 . . . 81 W CZ2 . 16912 1 1051 . 1 1 80 80 TRP CZ3 C 13 120.544 0.000 . 1 1 . . . 81 W CZ3 . 16912 1 1052 . 1 1 80 80 TRP N N 15 120.958 0.014 . 1 8 . . . 81 W N . 16912 1 1053 . 1 1 80 80 TRP NE1 N 15 129.746 0.000 . 1 1 . . . 81 W NE1 . 16912 1 1054 . 1 1 81 81 TYR H H 1 7.611 0.002 . 1 6 . . . 82 Y H . 16912 1 1055 . 1 1 81 81 TYR HA H 1 4.941 0.003 . 1 4 . . . 82 Y HA . 16912 1 1056 . 1 1 81 81 TYR HB2 H 1 3.039 0.000 . 2 2 . . . 82 Y HB2 . 16912 1 1057 . 1 1 81 81 TYR HB3 H 1 2.646 0.009 . 2 2 . . . 82 Y HB3 . 16912 1 1058 . 1 1 81 81 TYR HD1 H 1 7.108 0.019 . 3 2 . . . 82 Y QD . 16912 1 1059 . 1 1 81 81 TYR HD2 H 1 7.108 0.019 . 3 2 . . . 82 Y QD . 16912 1 1060 . 1 1 81 81 TYR HE1 H 1 6.796 0.007 . 3 2 . . . 82 Y QE . 16912 1 1061 . 1 1 81 81 TYR HE2 H 1 6.796 0.007 . 3 2 . . . 82 Y QE . 16912 1 1062 . 1 1 81 81 TYR C C 13 173.331 0.009 . 1 3 . . . 82 Y C . 16912 1 1063 . 1 1 81 81 TYR CA C 13 55.385 0.016 . 1 3 . . . 82 Y CA . 16912 1 1064 . 1 1 81 81 TYR CB C 13 39.091 0.034 . 1 3 . . . 82 Y CB . 16912 1 1065 . 1 1 81 81 TYR CD1 C 13 134.500 0.000 . . 1 . . . 82 Y CD# . 16912 1 1066 . 1 1 81 81 TYR CD2 C 13 134.500 0.000 . . 1 . . . 82 Y CD# . 16912 1 1067 . 1 1 81 81 TYR CE1 C 13 118.250 0.000 . . 1 . . . 82 Y CE# . 16912 1 1068 . 1 1 81 81 TYR CE2 C 13 118.250 0.000 . . 1 . . . 82 Y CE# . 16912 1 1069 . 1 1 81 81 TYR N N 15 117.652 0.027 . 1 7 . . . 82 Y N . 16912 1 1070 . 1 1 82 82 PRO HA H 1 4.466 0.005 . 1 11 . . . 83 P HA . 16912 1 1071 . 1 1 82 82 PRO HB2 H 1 2.276 0.004 . 2 8 . . . 83 P HB2 . 16912 1 1072 . 1 1 82 82 PRO HB3 H 1 1.883 0.005 . 2 8 . . . 83 P HB3 . 16912 1 1073 . 1 1 82 82 PRO HD2 H 1 3.765 0.005 . 2 13 . . . 83 P HD2 . 16912 1 1074 . 1 1 82 82 PRO HD3 H 1 3.659 0.005 . 2 9 . . . 83 P HD3 . 16912 1 1075 . 1 1 82 82 PRO HG2 H 1 2.012 0.026 . 2 11 . . . 83 P HG2 . 16912 1 1076 . 1 1 82 82 PRO HG3 H 1 1.959 0.008 . 2 4 . . . 83 P HG3 . 16912 1 1077 . 1 1 82 82 PRO C C 13 177.097 0.004 . 1 4 . . . 83 P C . 16912 1 1078 . 1 1 82 82 PRO CA C 13 63.307 0.112 . 1 6 . . . 83 P CA . 16912 1 1079 . 1 1 82 82 PRO CB C 13 32.114 0.090 . 1 10 . . . 83 P CB . 16912 1 1080 . 1 1 82 82 PRO CD C 13 50.659 0.021 . 1 11 . . . 83 P CD . 16912 1 1081 . 1 1 82 82 PRO CG C 13 27.253 0.000 . 1 8 . . . 83 P CG . 16912 1 1082 . 1 1 82 82 PRO N N 15 136.054 0.005 . 1 3 . . . 83 P N . 16912 1 1083 . 1 1 83 83 TYR H H 1 8.264 0.005 . 1 5 . . . 84 Y H . 16912 1 1084 . 1 1 83 83 TYR HA H 1 4.601 0.001 . 1 2 . . . 84 Y HA . 16912 1 1085 . 1 1 83 83 TYR HB2 H 1 3.124 0.003 . 2 5 . . . 84 Y HB2 . 16912 1 1086 . 1 1 83 83 TYR HB3 H 1 2.996 0.005 . 2 5 . . . 84 Y HB3 . 16912 1 1087 . 1 1 83 83 TYR HD1 H 1 7.122 0.000 . 3 1 . . . 84 Y QD . 16912 1 1088 . 1 1 83 83 TYR HD2 H 1 7.122 0.000 . 3 1 . . . 84 Y QD . 16912 1 1089 . 1 1 83 83 TYR HE1 H 1 6.767 0.000 . 3 1 . . . 84 Y QE . 16912 1 1090 . 1 1 83 83 TYR HE2 H 1 6.767 0.000 . 3 1 . . . 84 Y QE . 16912 1 1091 . 1 1 83 83 TYR C C 13 175.665 0.002 . 1 4 . . . 84 Y C . 16912 1 1092 . 1 1 83 83 TYR CA C 13 57.916 0.000 . 1 1 . . . 84 Y CA . 16912 1 1093 . 1 1 83 83 TYR CB C 13 39.335 0.314 . 1 7 . . . 84 Y CB . 16912 1 1094 . 1 1 83 83 TYR CE1 C 13 118.800 0.000 . . 1 . . . 84 Y CE# . 16912 1 1095 . 1 1 83 83 TYR CE2 C 13 118.800 0.000 . . 1 . . . 84 Y CE# . 16912 1 1096 . 1 1 83 83 TYR N N 15 120.321 0.050 . 1 7 . . . 84 Y N . 16912 1 1097 . 1 1 84 84 ASP H H 1 8.237 0.001 . 1 5 . . . 85 D H . 16912 1 1098 . 1 1 84 84 ASP HA H 1 4.536 0.000 . 1 1 . . . 85 D HA . 16912 1 1099 . 1 1 84 84 ASP HB2 H 1 2.602 0.000 . 2 1 . . . 85 D QB . 16912 1 1100 . 1 1 84 84 ASP HB3 H 1 2.602 0.000 . 2 1 . . . 85 D QB . 16912 1 1101 . 1 1 84 84 ASP C C 13 175.780 0.007 . 1 4 . . . 85 D C . 16912 1 1102 . 1 1 84 84 ASP CA C 13 54.312 0.102 . 1 3 . . . 85 D CA . 16912 1 1103 . 1 1 84 84 ASP CB C 13 41.144 0.035 . 1 3 . . . 85 D CB . 16912 1 1104 . 1 1 84 84 ASP N N 15 121.037 0.006 . 1 7 . . . 85 D N . 16912 1 1105 . 1 1 85 85 GLN H H 1 8.105 0.001 . 1 7 . . . 86 Q H . 16912 1 1106 . 1 1 85 85 GLN HA H 1 4.270 0.013 . 1 6 . . . 86 Q HA . 16912 1 1107 . 1 1 85 85 GLN HB2 H 1 2.075 0.032 . 2 4 . . . 86 Q HB2 . 16912 1 1108 . 1 1 85 85 GLN HB3 H 1 1.932 0.009 . 2 5 . . . 86 Q HB3 . 16912 1 1109 . 1 1 85 85 GLN HE21 H 1 7.570 0.000 . 2 1 . . . 86 Q HE21 . 16912 1 1110 . 1 1 85 85 GLN HE22 H 1 6.765 0.000 . 2 1 . . . 86 Q HE22 . 16912 1 1111 . 1 1 85 85 GLN HG2 H 1 2.352 0.007 . 2 3 . . . 86 Q HG2 . 16912 1 1112 . 1 1 85 85 GLN HG3 H 1 2.281 0.006 . 2 4 . . . 86 Q HG3 . 16912 1 1113 . 1 1 85 85 GLN C C 13 175.695 0.002 . 1 4 . . . 86 Q C . 16912 1 1114 . 1 1 85 85 GLN CA C 13 55.812 0.065 . 1 3 . . . 86 Q CA . 16912 1 1115 . 1 1 85 85 GLN CB C 13 29.400 0.066 . 1 7 . . . 86 Q CB . 16912 1 1116 . 1 1 85 85 GLN CG C 13 33.964 0.074 . 1 7 . . . 86 Q CG . 16912 1 1117 . 1 1 85 85 GLN N N 15 119.939 0.034 . 1 9 . . . 86 Q N . 16912 1 1118 . 1 1 85 85 GLN NE2 N 15 112.606 0.021 . 1 2 . . . 86 Q NE2 . 16912 1 1119 . 1 1 86 86 LEU H H 1 8.247 0.003 . 1 6 . . . 87 L H . 16912 1 1120 . 1 1 86 86 LEU HA H 1 4.304 0.004 . 1 10 . . . 87 L HA . 16912 1 1121 . 1 1 86 86 LEU HB2 H 1 1.624 0.009 . 2 4 . . . 87 L HB2 . 16912 1 1122 . 1 1 86 86 LEU HB3 H 1 1.543 0.003 . 2 4 . . . 87 L HB3 . 16912 1 1123 . 1 1 86 86 LEU HD11 H 1 0.889 0.013 . 2 8 . . . 87 L HD1# . 16912 1 1124 . 1 1 86 86 LEU HD12 H 1 0.889 0.013 . 2 8 . . . 87 L HD1# . 16912 1 1125 . 1 1 86 86 LEU HD13 H 1 0.889 0.013 . 2 8 . . . 87 L HD1# . 16912 1 1126 . 1 1 86 86 LEU HD21 H 1 0.827 0.010 . 2 11 . . . 87 L HD2# . 16912 1 1127 . 1 1 86 86 LEU HD22 H 1 0.827 0.010 . 2 11 . . . 87 L HD2# . 16912 1 1128 . 1 1 86 86 LEU HD23 H 1 0.827 0.010 . 2 11 . . . 87 L HD2# . 16912 1 1129 . 1 1 86 86 LEU HG H 1 1.577 0.004 . 1 5 . . . 87 L HG . 16912 1 1130 . 1 1 86 86 LEU C C 13 177.086 0.011 . 1 4 . . . 87 L C . 16912 1 1131 . 1 1 86 86 LEU CA C 13 55.171 0.071 . 1 6 . . . 87 L CA . 16912 1 1132 . 1 1 86 86 LEU CB C 13 42.470 0.114 . 1 9 . . . 87 L CB . 16912 1 1133 . 1 1 86 86 LEU CD1 C 13 24.984 0.035 . 2 3 . . . 87 L CD1 . 16912 1 1134 . 1 1 86 86 LEU CD2 C 13 23.455 0.030 . 2 5 . . . 87 L CD2 . 16912 1 1135 . 1 1 86 86 LEU CG C 13 26.962 0.015 . 1 4 . . . 87 L CG . 16912 1 1136 . 1 1 86 86 LEU N N 15 123.207 0.057 . 1 8 . . . 87 L N . 16912 1 1137 . 1 1 87 87 ASP H H 1 8.293 0.002 . 1 3 . . . 88 D H . 16912 1 1138 . 1 1 87 87 ASP HA H 1 4.599 0.000 . 1 1 . . . 88 D HA . 16912 1 1139 . 1 1 87 87 ASP HB2 H 1 2.712 0.000 . 2 1 . . . 88 D HB2 . 16912 1 1140 . 1 1 87 87 ASP HB3 H 1 2.548 0.000 . 2 1 . . . 88 D HB3 . 16912 1 1141 . 1 1 87 87 ASP C C 13 176.264 0.002 . 1 5 . . . 88 D C . 16912 1 1142 . 1 1 87 87 ASP CA C 13 54.277 0.092 . 1 2 . . . 88 D CA . 16912 1 1143 . 1 1 87 87 ASP CB C 13 41.253 0.054 . 1 3 . . . 88 D CB . 16912 1 1144 . 1 1 87 87 ASP N N 15 121.266 0.035 . 1 5 . . . 88 D N . 16912 1 1145 . 1 1 88 88 GLU H H 1 8.325 0.000 . 1 2 . . . 89 E H . 16912 1 1146 . 1 1 88 88 GLU HA H 1 4.229 0.001 . 1 2 . . . 89 E HA . 16912 1 1147 . 1 1 88 88 GLU HB2 H 1 2.048 0.000 . 2 1 . . . 89 E HB2 . 16912 1 1148 . 1 1 88 88 GLU HB3 H 1 1.915 0.000 . 2 1 . . . 89 E HB3 . 16912 1 1149 . 1 1 88 88 GLU HG2 H 1 2.235 0.000 . 2 1 . . . 89 E QG . 16912 1 1150 . 1 1 88 88 GLU HG3 H 1 2.235 0.000 . 2 1 . . . 89 E QG . 16912 1 1151 . 1 1 88 88 GLU C C 13 176.642 0.003 . 1 4 . . . 89 E C . 16912 1 1152 . 1 1 88 88 GLU CA C 13 56.810 0.061 . 1 3 . . . 89 E CA . 16912 1 1153 . 1 1 88 88 GLU CB C 13 30.438 0.076 . 1 3 . . . 89 E CB . 16912 1 1154 . 1 1 88 88 GLU CG C 13 36.159 0.000 . 1 1 . . . 89 E CG . 16912 1 1155 . 1 1 88 88 GLU N N 15 121.069 0.023 . 1 6 . . . 89 E N . 16912 1 1156 . 1 1 89 89 GLU H H 1 8.416 0.001 . 1 5 . . . 90 E H . 16912 1 1157 . 1 1 89 89 GLU HA H 1 4.294 0.003 . 1 2 . . . 90 E HA . 16912 1 1158 . 1 1 89 89 GLU HB2 H 1 2.014 0.000 . 2 1 . . . 90 E QB . 16912 1 1159 . 1 1 89 89 GLU HB3 H 1 2.014 0.000 . 2 1 . . . 90 E QB . 16912 1 1160 . 1 1 89 89 GLU HG2 H 1 2.251 0.000 . 2 1 . . . 90 E QG . 16912 1 1161 . 1 1 89 89 GLU HG3 H 1 2.251 0.000 . 2 1 . . . 90 E QG . 16912 1 1162 . 1 1 89 89 GLU C C 13 176.778 0.003 . 1 4 . . . 90 E C . 16912 1 1163 . 1 1 89 89 GLU CA C 13 56.788 0.076 . 1 4 . . . 90 E CA . 16912 1 1164 . 1 1 89 89 GLU CB C 13 30.227 0.074 . 1 3 . . . 90 E CB . 16912 1 1165 . 1 1 89 89 GLU CG C 13 36.212 0.000 . 1 1 . . . 90 E CG . 16912 1 1166 . 1 1 89 89 GLU N N 15 121.274 0.068 . 1 7 . . . 90 E N . 16912 1 1167 . 1 1 90 90 THR H H 1 8.124 0.004 . 1 7 . . . 91 T H . 16912 1 1168 . 1 1 90 90 THR HA H 1 4.280 0.002 . 1 3 . . . 91 T HA . 16912 1 1169 . 1 1 90 90 THR HB H 1 4.149 0.002 . 1 4 . . . 91 T HB . 16912 1 1170 . 1 1 90 90 THR HG21 H 1 1.185 0.001 . . 6 . . . 91 T HG2# . 16912 1 1171 . 1 1 90 90 THR HG22 H 1 1.185 0.001 . . 6 . . . 91 T HG2# . 16912 1 1172 . 1 1 90 90 THR HG23 H 1 1.185 0.001 . . 6 . . . 91 T HG2# . 16912 1 1173 . 1 1 90 90 THR C C 13 174.413 0.003 . 1 8 . . . 91 T C . 16912 1 1174 . 1 1 90 90 THR CA C 13 62.110 0.094 . 1 5 . . . 91 T CA . 16912 1 1175 . 1 1 90 90 THR CB C 13 69.693 0.239 . 1 6 . . . 91 T CB . 16912 1 1176 . 1 1 90 90 THR CG2 C 13 21.703 0.028 . 1 3 . . . 91 T CG2 . 16912 1 1177 . 1 1 90 90 THR N N 15 115.374 0.044 . 1 9 . . . 91 T N . 16912 1 1178 . 1 1 91 91 GLN H H 1 8.353 0.004 . 1 7 . . . 92 Q H . 16912 1 1179 . 1 1 91 91 GLN HA H 1 4.283 0.000 . 1 1 . . . 92 Q HA . 16912 1 1180 . 1 1 91 91 GLN HB2 H 1 2.091 0.000 . 2 1 . . . 92 Q HB2 . 16912 1 1181 . 1 1 91 91 GLN HB3 H 1 1.939 0.000 . 2 1 . . . 92 Q HB3 . 16912 1 1182 . 1 1 91 91 GLN HE21 H 1 7.470 0.000 . 2 1 . . . 92 Q HE21 . 16912 1 1183 . 1 1 91 91 GLN HG2 H 1 2.304 0.003 . 2 5 . . . 92 Q QG . 16912 1 1184 . 1 1 91 91 GLN HG3 H 1 2.304 0.003 . 2 5 . . . 92 Q QG . 16912 1 1185 . 1 1 91 91 GLN C C 13 173.924 0.004 . 1 3 . . . 92 Q C . 16912 1 1186 . 1 1 91 91 GLN CA C 13 53.730 0.042 . 1 2 . . . 92 Q CA . 16912 1 1187 . 1 1 91 91 GLN CB C 13 28.852 0.059 . 1 2 . . . 92 Q CB . 16912 1 1188 . 1 1 91 91 GLN CG C 13 33.842 0.011 . 1 4 . . . 92 Q CG . 16912 1 1189 . 1 1 91 91 GLN N N 15 123.797 0.028 . 1 13 . . . 92 Q N . 16912 1 1190 . 1 1 91 91 GLN NE2 N 15 112.645 0.000 . 1 1 . . . 92 Q NE2 . 16912 1 1191 . 1 1 92 92 PRO HA H 1 4.466 0.002 . 1 3 . . . 93 P HA . 16912 1 1192 . 1 1 92 92 PRO HB2 H 1 2.273 0.000 . 2 1 . . . 93 P HB2 . 16912 1 1193 . 1 1 92 92 PRO HB3 H 1 1.843 0.000 . 2 1 . . . 93 P HB3 . 16912 1 1194 . 1 1 92 92 PRO HG2 H 1 1.994 0.000 . 2 1 . . . 93 P QG . 16912 1 1195 . 1 1 92 92 PRO HG3 H 1 1.994 0.000 . 2 1 . . . 93 P QG . 16912 1 1196 . 1 1 92 92 PRO C C 13 177.093 0.005 . 1 6 . . . 93 P C . 16912 1 1197 . 1 1 92 92 PRO CA C 13 63.196 0.088 . 1 4 . . . 93 P CA . 16912 1 1198 . 1 1 92 92 PRO CB C 13 32.193 0.111 . 1 5 . . . 93 P CB . 16912 1 1199 . 1 1 92 92 PRO CG C 13 27.369 0.000 . 1 1 . . . 93 P CG . 16912 1 1200 . 1 1 92 92 PRO N N 15 136.912 0.000 . 1 3 . . . 93 P N . 16912 1 1201 . 1 1 93 93 THR H H 1 8.285 0.002 . 1 7 . . . 94 T H . 16912 1 1202 . 1 1 93 93 THR HA H 1 4.280 0.003 . 1 5 . . . 94 T HA . 16912 1 1203 . 1 1 93 93 THR HB H 1 4.150 0.002 . 1 7 . . . 94 T HB . 16912 1 1204 . 1 1 93 93 THR HG21 H 1 1.195 0.011 . . 2 . . . 94 T HG2# . 16912 1 1205 . 1 1 93 93 THR HG22 H 1 1.195 0.011 . . 2 . . . 94 T HG2# . 16912 1 1206 . 1 1 93 93 THR HG23 H 1 1.195 0.011 . . 2 . . . 94 T HG2# . 16912 1 1207 . 1 1 93 93 THR C C 13 174.620 0.006 . 1 7 . . . 94 T C . 16912 1 1208 . 1 1 93 93 THR CA C 13 62.231 0.174 . 1 5 . . . 94 T CA . 16912 1 1209 . 1 1 93 93 THR CB C 13 69.827 0.071 . 1 9 . . . 94 T CB . 16912 1 1210 . 1 1 93 93 THR CG2 C 13 21.493 0.000 . 1 1 . . . 94 T CG2 . 16912 1 1211 . 1 1 93 93 THR N N 15 115.161 0.038 . 1 11 . . . 94 T N . 16912 1 1212 . 1 1 94 94 VAL H H 1 8.139 0.004 . 1 6 . . . 95 V H . 16912 1 1213 . 1 1 94 94 VAL HA H 1 4.073 0.000 . 1 1 . . . 95 V HA . 16912 1 1214 . 1 1 94 94 VAL HB H 1 2.018 0.000 . 1 1 . . . 95 V HB . 16912 1 1215 . 1 1 94 94 VAL HG11 H 1 0.895 0.000 . 2 1 . . . 95 V HG1# . 16912 1 1216 . 1 1 94 94 VAL HG12 H 1 0.895 0.000 . 2 1 . . . 95 V HG1# . 16912 1 1217 . 1 1 94 94 VAL HG13 H 1 0.895 0.000 . 2 1 . . . 95 V HG1# . 16912 1 1218 . 1 1 94 94 VAL HG21 H 1 0.911 0.000 . 2 1 . . . 95 V HG2# . 16912 1 1219 . 1 1 94 94 VAL HG22 H 1 0.911 0.000 . 2 1 . . . 95 V HG2# . 16912 1 1220 . 1 1 94 94 VAL HG23 H 1 0.911 0.000 . 2 1 . . . 95 V HG2# . 16912 1 1221 . 1 1 94 94 VAL C C 13 175.930 0.005 . 1 7 . . . 95 V C . 16912 1 1222 . 1 1 94 94 VAL CA C 13 62.332 0.103 . 1 5 . . . 95 V CA . 16912 1 1223 . 1 1 94 94 VAL CB C 13 32.772 0.037 . 1 3 . . . 95 V CB . 16912 1 1224 . 1 1 94 94 VAL CG1 C 13 21.032 0.000 . 2 1 . . . 95 V CG1 . 16912 1 1225 . 1 1 94 94 VAL CG2 C 13 20.739 0.000 . 2 1 . . . 95 V CG2 . 16912 1 1226 . 1 1 94 94 VAL N N 15 123.172 0.039 . 1 11 . . . 95 V N . 16912 1 1227 . 1 1 95 95 LYS H H 1 8.354 0.004 . 1 6 . . . 96 K H . 16912 1 1228 . 1 1 95 95 LYS HA H 1 4.280 0.000 . 1 1 . . . 96 K HA . 16912 1 1229 . 1 1 95 95 LYS HB2 H 1 1.766 0.000 . 2 1 . . . 96 K QB . 16912 1 1230 . 1 1 95 95 LYS HB3 H 1 1.766 0.000 . 2 1 . . . 96 K QB . 16912 1 1231 . 1 1 95 95 LYS HD2 H 1 1.650 0.000 . 2 1 . . . 96 K QD . 16912 1 1232 . 1 1 95 95 LYS HD3 H 1 1.650 0.000 . 2 1 . . . 96 K QD . 16912 1 1233 . 1 1 95 95 LYS HE2 H 1 2.962 0.000 . 2 1 . . . 96 K QE . 16912 1 1234 . 1 1 95 95 LYS HE3 H 1 2.962 0.000 . 2 1 . . . 96 K QE . 16912 1 1235 . 1 1 95 95 LYS HG2 H 1 1.395 0.000 . 2 1 . . . 96 K QG . 16912 1 1236 . 1 1 95 95 LYS HG3 H 1 1.395 0.000 . 2 1 . . . 96 K QG . 16912 1 1237 . 1 1 95 95 LYS C C 13 176.077 0.005 . 1 7 . . . 96 K C . 16912 1 1238 . 1 1 95 95 LYS CA C 13 56.244 0.027 . 1 4 . . . 96 K CA . 16912 1 1239 . 1 1 95 95 LYS CB C 13 33.130 0.067 . 1 4 . . . 96 K CB . 16912 1 1240 . 1 1 95 95 LYS CD C 13 29.084 0.000 . 1 1 . . . 96 K CD . 16912 1 1241 . 1 1 95 95 LYS CE C 13 42.078 0.000 . 1 1 . . . 96 K CE . 16912 1 1242 . 1 1 95 95 LYS CG C 13 24.795 0.000 . 1 1 . . . 96 K CG . 16912 1 1243 . 1 1 95 95 LYS N N 15 125.671 0.021 . 1 11 . . . 96 K N . 16912 1 1244 . 1 1 96 96 ALA H H 1 8.280 0.006 . 1 2 . . . 97 A H . 16912 1 1245 . 1 1 96 96 ALA HA H 1 4.261 0.000 . 1 1 . . . 97 A HA . 16912 1 1246 . 1 1 96 96 ALA HB1 H 1 1.345 0.000 . 1 1 . . . 97 A HB# . 16912 1 1247 . 1 1 96 96 ALA HB2 H 1 1.345 0.000 . 1 1 . . . 97 A HB# . 16912 1 1248 . 1 1 96 96 ALA HB3 H 1 1.345 0.000 . 1 1 . . . 97 A HB# . 16912 1 1249 . 1 1 96 96 ALA C C 13 177.501 0.004 . 1 5 . . . 97 A C . 16912 1 1250 . 1 1 96 96 ALA CA C 13 52.199 0.040 . 1 3 . . . 97 A CA . 16912 1 1251 . 1 1 96 96 ALA CB C 13 19.411 0.107 . 1 3 . . . 97 A CB . 16912 1 1252 . 1 1 96 96 ALA N N 15 125.788 0.044 . 1 8 . . . 97 A N . 16912 1 1253 . 1 1 97 97 LYS H H 1 8.295 0.000 . 1 2 . . . 98 K H . 16912 1 1254 . 1 1 97 97 LYS HA H 1 4.272 0.000 . 1 1 . . . 98 K HA . 16912 1 1255 . 1 1 97 97 LYS HB2 H 1 1.728 0.000 . 2 1 . . . 98 K QB . 16912 1 1256 . 1 1 97 97 LYS HB3 H 1 1.728 0.000 . 2 1 . . . 98 K QB . 16912 1 1257 . 1 1 97 97 LYS HD2 H 1 1.639 0.000 . 2 1 . . . 98 K QD . 16912 1 1258 . 1 1 97 97 LYS HD3 H 1 1.639 0.000 . 2 1 . . . 98 K QD . 16912 1 1259 . 1 1 97 97 LYS HE2 H 1 2.967 0.000 . 2 1 . . . 98 K QE . 16912 1 1260 . 1 1 97 97 LYS HE3 H 1 2.967 0.000 . 2 1 . . . 98 K QE . 16912 1 1261 . 1 1 97 97 LYS HG2 H 1 1.407 0.000 . 2 1 . . . 98 K QG . 16912 1 1262 . 1 1 97 97 LYS HG3 H 1 1.407 0.000 . 2 1 . . . 98 K QG . 16912 1 1263 . 1 1 97 97 LYS C C 13 176.514 0.007 . 1 3 . . . 98 K C . 16912 1 1264 . 1 1 97 97 LYS CA C 13 56.275 0.006 . 1 2 . . . 98 K CA . 16912 1 1265 . 1 1 97 97 LYS CB C 13 33.390 0.030 . 1 2 . . . 98 K CB . 16912 1 1266 . 1 1 97 97 LYS CD C 13 29.073 0.000 . 1 1 . . . 98 K CD . 16912 1 1267 . 1 1 97 97 LYS CE C 13 42.142 0.000 . 1 1 . . . 98 K CE . 16912 1 1268 . 1 1 97 97 LYS CG C 13 24.890 0.000 . 1 1 . . . 98 K CG . 16912 1 1269 . 1 1 97 97 LYS N N 15 121.177 0.026 . 1 6 . . . 98 K N . 16912 1 1270 . 1 1 98 98 LYS H H 1 8.383 0.000 . 1 2 . . . 99 K H . 16912 1 1271 . 1 1 98 98 LYS HA H 1 4.295 0.000 . 1 1 . . . 99 K HA . 16912 1 1272 . 1 1 98 98 LYS HB2 H 1 1.760 0.000 . 2 1 . . . 99 K QB . 16912 1 1273 . 1 1 98 98 LYS HB3 H 1 1.760 0.000 . 2 1 . . . 99 K QB . 16912 1 1274 . 1 1 98 98 LYS HD2 H 1 1.646 0.000 . 2 1 . . . 99 K QD . 16912 1 1275 . 1 1 98 98 LYS HD3 H 1 1.646 0.000 . 2 1 . . . 99 K QD . 16912 1 1276 . 1 1 98 98 LYS HE2 H 1 2.950 0.000 . 2 1 . . . 99 K QE . 16912 1 1277 . 1 1 98 98 LYS HE3 H 1 2.950 0.000 . 2 1 . . . 99 K QE . 16912 1 1278 . 1 1 98 98 LYS HG2 H 1 1.387 0.000 . 2 1 . . . 99 K QG . 16912 1 1279 . 1 1 98 98 LYS HG3 H 1 1.387 0.000 . 2 1 . . . 99 K QG . 16912 1 1280 . 1 1 98 98 LYS C C 13 176.370 0.025 . 1 5 . . . 99 K C . 16912 1 1281 . 1 1 98 98 LYS CA C 13 56.329 0.006 . 1 2 . . . 99 K CA . 16912 1 1282 . 1 1 98 98 LYS CB C 13 33.398 0.032 . 1 2 . . . 99 K CB . 16912 1 1283 . 1 1 98 98 LYS CD C 13 29.110 0.000 . 1 1 . . . 99 K CD . 16912 1 1284 . 1 1 98 98 LYS CE C 13 42.125 0.000 . 1 1 . . . 99 K CE . 16912 1 1285 . 1 1 98 98 LYS CG C 13 24.857 0.000 . 1 1 . . . 99 K CG . 16912 1 1286 . 1 1 98 98 LYS N N 15 123.012 0.004 . 1 4 . . . 99 K N . 16912 1 1287 . 1 1 99 99 LYS H H 1 8.399 0.001 . 1 2 . . . 100 K H . 16912 1 1288 . 1 1 99 99 LYS HA H 1 4.292 0.000 . 1 1 . . . 100 K HA . 16912 1 1289 . 1 1 99 99 LYS HB2 H 1 1.732 0.000 . 2 1 . . . 100 K QB . 16912 1 1290 . 1 1 99 99 LYS HB3 H 1 1.732 0.000 . 2 1 . . . 100 K QB . 16912 1 1291 . 1 1 99 99 LYS HD2 H 1 1.625 0.000 . 2 1 . . . 100 K QD . 16912 1 1292 . 1 1 99 99 LYS HD3 H 1 1.625 0.000 . 2 1 . . . 100 K QD . 16912 1 1293 . 1 1 99 99 LYS HE2 H 1 2.953 0.000 . 2 1 . . . 100 K QE . 16912 1 1294 . 1 1 99 99 LYS HE3 H 1 2.953 0.000 . 2 1 . . . 100 K QE . 16912 1 1295 . 1 1 99 99 LYS HG2 H 1 1.383 0.000 . 2 1 . . . 100 K QG . 16912 1 1296 . 1 1 99 99 LYS HG3 H 1 1.383 0.000 . 2 1 . . . 100 K QG . 16912 1 1297 . 1 1 99 99 LYS C C 13 176.405 0.005 . 1 5 . . . 100 K C . 16912 1 1298 . 1 1 99 99 LYS CA C 13 56.299 0.017 . 1 2 . . . 100 K CA . 16912 1 1299 . 1 1 99 99 LYS CB C 13 33.377 0.044 . 1 2 . . . 100 K CB . 16912 1 1300 . 1 1 99 99 LYS CD C 13 29.126 0.000 . 1 1 . . . 100 K CD . 16912 1 1301 . 1 1 99 99 LYS CE C 13 42.144 0.000 . 1 1 . . . 100 K CE . 16912 1 1302 . 1 1 99 99 LYS CG C 13 24.928 0.000 . 1 1 . . . 100 K CG . 16912 1 1303 . 1 1 99 99 LYS N N 15 123.274 0.025 . 1 6 . . . 100 K N . 16912 1 1304 . 1 1 100 100 LYS H H 1 8.433 0.000 . 1 2 . . . 101 K H . 16912 1 1305 . 1 1 100 100 LYS HA H 1 4.265 0.000 . 1 1 . . . 101 K HA . 16912 1 1306 . 1 1 100 100 LYS HB2 H 1 1.726 0.000 . 2 1 . . . 101 K QB . 16912 1 1307 . 1 1 100 100 LYS HB3 H 1 1.726 0.000 . 2 1 . . . 101 K QB . 16912 1 1308 . 1 1 100 100 LYS HD2 H 1 1.645 0.000 . 2 1 . . . 101 K QD . 16912 1 1309 . 1 1 100 100 LYS HD3 H 1 1.645 0.000 . 2 1 . . . 101 K QD . 16912 1 1310 . 1 1 100 100 LYS HE2 H 1 2.964 0.000 . 2 1 . . . 101 K QE . 16912 1 1311 . 1 1 100 100 LYS HE3 H 1 2.964 0.000 . 2 1 . . . 101 K QE . 16912 1 1312 . 1 1 100 100 LYS HG2 H 1 1.388 0.000 . 2 1 . . . 101 K QG . 16912 1 1313 . 1 1 100 100 LYS HG3 H 1 1.388 0.000 . 2 1 . . . 101 K QG . 16912 1 1314 . 1 1 100 100 LYS C C 13 176.072 0.007 . 1 7 . . . 101 K C . 16912 1 1315 . 1 1 100 100 LYS CA C 13 56.245 0.056 . 1 3 . . . 101 K CA . 16912 1 1316 . 1 1 100 100 LYS CB C 13 33.354 0.013 . 1 3 . . . 101 K CB . 16912 1 1317 . 1 1 100 100 LYS CD C 13 29.239 0.000 . 1 1 . . . 101 K CD . 16912 1 1318 . 1 1 100 100 LYS CE C 13 42.077 0.000 . 1 1 . . . 101 K CE . 16912 1 1319 . 1 1 100 100 LYS CG C 13 24.799 0.000 . 1 1 . . . 101 K CG . 16912 1 1320 . 1 1 100 100 LYS N N 15 123.387 0.036 . 1 6 . . . 101 K N . 16912 1 1321 . 1 1 101 101 ALA H H 1 8.378 0.003 . 1 2 . . . 102 A H . 16912 1 1322 . 1 1 101 101 ALA HA H 1 4.272 0.000 . 1 1 . . . 102 A HA . 16912 1 1323 . 1 1 101 101 ALA HB1 H 1 1.347 0.000 . 1 1 . . . 102 A HB# . 16912 1 1324 . 1 1 101 101 ALA HB2 H 1 1.347 0.000 . 1 1 . . . 102 A HB# . 16912 1 1325 . 1 1 101 101 ALA HB3 H 1 1.347 0.000 . 1 1 . . . 102 A HB# . 16912 1 1326 . 1 1 101 101 ALA C C 13 177.495 0.006 . 1 7 . . . 102 A C . 16912 1 1327 . 1 1 101 101 ALA CA C 13 52.260 0.162 . 1 3 . . . 102 A CA . 16912 1 1328 . 1 1 101 101 ALA CB C 13 19.523 0.091 . 1 3 . . . 102 A CB . 16912 1 1329 . 1 1 101 101 ALA N N 15 126.052 0.025 . 1 8 . . . 102 A N . 16912 1 1330 . 1 1 102 102 LYS H H 1 8.333 0.000 . 1 2 . . . 103 K H . 16912 1 1331 . 1 1 102 102 LYS HA H 1 4.259 0.000 . 1 1 . . . 103 K HA . 16912 1 1332 . 1 1 102 102 LYS HB2 H 1 1.750 0.000 . 2 1 . . . 103 K QB . 16912 1 1333 . 1 1 102 102 LYS HB3 H 1 1.750 0.000 . 2 1 . . . 103 K QB . 16912 1 1334 . 1 1 102 102 LYS HD2 H 1 1.650 0.000 . 2 1 . . . 103 K QD . 16912 1 1335 . 1 1 102 102 LYS HD3 H 1 1.650 0.000 . 2 1 . . . 103 K QD . 16912 1 1336 . 1 1 102 102 LYS HE2 H 1 2.966 0.000 . 2 1 . . . 103 K QE . 16912 1 1337 . 1 1 102 102 LYS HE3 H 1 2.966 0.000 . 2 1 . . . 103 K QE . 16912 1 1338 . 1 1 102 102 LYS HG2 H 1 1.402 0.000 . 2 1 . . . 103 K QG . 16912 1 1339 . 1 1 102 102 LYS HG3 H 1 1.402 0.000 . 2 1 . . . 103 K QG . 16912 1 1340 . 1 1 102 102 LYS C C 13 176.513 0.007 . 1 5 . . . 103 K C . 16912 1 1341 . 1 1 102 102 LYS CA C 13 56.287 0.087 . 1 2 . . . 103 K CA . 16912 1 1342 . 1 1 102 102 LYS CB C 13 33.230 0.032 . 1 2 . . . 103 K CB . 16912 1 1343 . 1 1 102 102 LYS CD C 13 29.149 0.000 . 1 1 . . . 103 K CD . 16912 1 1344 . 1 1 102 102 LYS CE C 13 42.138 0.000 . 1 1 . . . 103 K CE . 16912 1 1345 . 1 1 102 102 LYS CG C 13 24.823 0.000 . 1 1 . . . 103 K CG . 16912 1 1346 . 1 1 102 102 LYS N N 15 121.384 0.037 . 1 8 . . . 103 K N . 16912 1 1347 . 1 1 103 103 LYS H H 1 8.365 0.001 . 1 2 . . . 104 K H . 16912 1 1348 . 1 1 103 103 LYS HA H 1 4.267 0.000 . 1 1 . . . 104 K HA . 16912 1 1349 . 1 1 103 103 LYS HB2 H 1 1.753 0.000 . 2 1 . . . 104 K QB . 16912 1 1350 . 1 1 103 103 LYS HB3 H 1 1.753 0.000 . 2 1 . . . 104 K QB . 16912 1 1351 . 1 1 103 103 LYS HD2 H 1 1.653 0.000 . 2 1 . . . 104 K QD . 16912 1 1352 . 1 1 103 103 LYS HD3 H 1 1.653 0.000 . 2 1 . . . 104 K QD . 16912 1 1353 . 1 1 103 103 LYS HE2 H 1 2.970 0.000 . 2 1 . . . 104 K QE . 16912 1 1354 . 1 1 103 103 LYS HE3 H 1 2.970 0.000 . 2 1 . . . 104 K QE . 16912 1 1355 . 1 1 103 103 LYS HG2 H 1 1.405 0.000 . 2 1 . . . 104 K QG . 16912 1 1356 . 1 1 103 103 LYS HG3 H 1 1.405 0.000 . 2 1 . . . 104 K QG . 16912 1 1357 . 1 1 103 103 LYS C C 13 176.156 0.004 . 1 3 . . . 104 K C . 16912 1 1358 . 1 1 103 103 LYS CA C 13 56.282 0.014 . 1 2 . . . 104 K CA . 16912 1 1359 . 1 1 103 103 LYS CB C 13 33.363 0.055 . 1 2 . . . 104 K CB . 16912 1 1360 . 1 1 103 103 LYS CD C 13 29.150 0.000 . 1 1 . . . 104 K CD . 16912 1 1361 . 1 1 103 103 LYS CE C 13 42.108 0.000 . 1 1 . . . 104 K CE . 16912 1 1362 . 1 1 103 103 LYS CG C 13 24.769 0.000 . 1 1 . . . 104 K CG . 16912 1 1363 . 1 1 103 103 LYS N N 15 123.013 0.005 . 1 6 . . . 104 K N . 16912 1 1364 . 1 1 104 104 ALA H H 1 8.371 0.001 . 1 2 . . . 105 A H . 16912 1 1365 . 1 1 104 104 ALA HA H 1 4.315 0.000 . 1 1 . . . 105 A HA . 16912 1 1366 . 1 1 104 104 ALA HB1 H 1 1.377 0.000 . 1 1 . . . 105 A HB# . 16912 1 1367 . 1 1 104 104 ALA HB2 H 1 1.377 0.000 . 1 1 . . . 105 A HB# . 16912 1 1368 . 1 1 104 104 ALA HB3 H 1 1.377 0.000 . 1 1 . . . 105 A HB# . 16912 1 1369 . 1 1 104 104 ALA C C 13 177.697 0.002 . 1 7 . . . 105 A C . 16912 1 1370 . 1 1 104 104 ALA CA C 13 52.585 0.102 . 1 4 . . . 105 A CA . 16912 1 1371 . 1 1 104 104 ALA CB C 13 19.257 0.077 . 1 4 . . . 105 A CB . 16912 1 1372 . 1 1 104 104 ALA N N 15 125.783 0.053 . 1 4 . . . 105 A N . 16912 1 1373 . 1 1 105 105 VAL H H 1 8.034 0.001 . 1 6 . . . 106 V H . 16912 1 1374 . 1 1 105 105 VAL HA H 1 4.090 0.000 . 1 1 . . . 106 V HA . 16912 1 1375 . 1 1 105 105 VAL HB H 1 2.088 0.000 . 1 1 . . . 106 V HB . 16912 1 1376 . 1 1 105 105 VAL HG11 H 1 0.918 0.000 . 2 1 . . . 106 V HG1# . 16912 1 1377 . 1 1 105 105 VAL HG12 H 1 0.918 0.000 . 2 1 . . . 106 V HG1# . 16912 1 1378 . 1 1 105 105 VAL HG13 H 1 0.918 0.000 . 2 1 . . . 106 V HG1# . 16912 1 1379 . 1 1 105 105 VAL HG21 H 1 0.917 0.000 . 2 1 . . . 106 V HG2# . 16912 1 1380 . 1 1 105 105 VAL HG22 H 1 0.917 0.000 . 2 1 . . . 106 V HG2# . 16912 1 1381 . 1 1 105 105 VAL HG23 H 1 0.917 0.000 . 2 1 . . . 106 V HG2# . 16912 1 1382 . 1 1 105 105 VAL C C 13 176.288 0.002 . 1 5 . . . 106 V C . 16912 1 1383 . 1 1 105 105 VAL CA C 13 62.457 0.043 . 1 3 . . . 106 V CA . 16912 1 1384 . 1 1 105 105 VAL CB C 13 32.789 0.060 . 1 3 . . . 106 V CB . 16912 1 1385 . 1 1 105 105 VAL CG1 C 13 21.356 0.000 . 2 1 . . . 106 V CG1 . 16912 1 1386 . 1 1 105 105 VAL CG2 C 13 20.583 0.000 . 2 1 . . . 106 V CG2 . 16912 1 1387 . 1 1 105 105 VAL N N 15 118.428 0.016 . 1 12 . . . 106 V N . 16912 1 1388 . 1 1 106 106 GLU H H 1 8.442 0.000 . 1 2 . . . 107 E H . 16912 1 1389 . 1 1 106 106 GLU HA H 1 4.248 0.000 . 1 2 . . . 107 E HA . 16912 1 1390 . 1 1 106 106 GLU HB2 H 1 2.038 0.000 . 2 1 . . . 107 E HB2 . 16912 1 1391 . 1 1 106 106 GLU HB3 H 1 1.925 0.000 . 2 1 . . . 107 E HB3 . 16912 1 1392 . 1 1 106 106 GLU HG2 H 1 2.250 0.000 . 2 1 . . . 107 E QG . 16912 1 1393 . 1 1 106 106 GLU HG3 H 1 2.250 0.000 . 2 1 . . . 107 E QG . 16912 1 1394 . 1 1 106 106 GLU C C 13 176.418 0.004 . 1 5 . . . 107 E C . 16912 1 1395 . 1 1 106 106 GLU CA C 13 56.827 0.147 . 1 3 . . . 107 E CA . 16912 1 1396 . 1 1 106 106 GLU CB C 13 30.131 0.032 . 1 3 . . . 107 E CB . 16912 1 1397 . 1 1 106 106 GLU CG C 13 36.231 0.000 . 1 1 . . . 107 E CG . 16912 1 1398 . 1 1 106 106 GLU N N 15 123.222 0.021 . 1 6 . . . 107 E N . 16912 1 1399 . 1 1 107 107 GLU H H 1 8.268 0.001 . 1 2 . . . 108 E H . 16912 1 1400 . 1 1 107 107 GLU HA H 1 4.240 0.003 . 1 2 . . . 108 E HA . 16912 1 1401 . 1 1 107 107 GLU HB2 H 1 2.018 0.000 . 2 1 . . . 108 E HB2 . 16912 1 1402 . 1 1 107 107 GLU HB3 H 1 1.907 0.000 . 2 1 . . . 108 E HB3 . 16912 1 1403 . 1 1 107 107 GLU HG2 H 1 2.228 0.000 . 2 1 . . . 108 E QG . 16912 1 1404 . 1 1 107 107 GLU HG3 H 1 2.228 0.000 . 2 1 . . . 108 E QG . 16912 1 1405 . 1 1 107 107 GLU C C 13 175.909 0.007 . 1 7 . . . 108 E C . 16912 1 1406 . 1 1 107 107 GLU CA C 13 56.761 0.057 . 1 4 . . . 108 E CA . 16912 1 1407 . 1 1 107 107 GLU CB C 13 30.471 0.087 . 1 4 . . . 108 E CB . 16912 1 1408 . 1 1 107 107 GLU CG C 13 36.222 0.000 . 1 1 . . . 108 E CG . 16912 1 1409 . 1 1 107 107 GLU N N 15 120.709 0.008 . 1 6 . . . 108 E N . 16912 1 1410 . 1 1 108 108 ASP H H 1 8.308 0.001 . 1 2 . . . 109 D H . 16912 1 1411 . 1 1 108 108 ASP HA H 1 4.569 0.000 . 1 1 . . . 109 D HA . 16912 1 1412 . 1 1 108 108 ASP HB2 H 1 2.721 0.000 . 2 1 . . . 109 D HB2 . 16912 1 1413 . 1 1 108 108 ASP HB3 H 1 2.584 0.000 . 2 1 . . . 109 D HB3 . 16912 1 1414 . 1 1 108 108 ASP C C 13 175.901 0.001 . 1 5 . . . 109 D C . 16912 1 1415 . 1 1 108 108 ASP CA C 13 54.360 0.012 . 1 2 . . . 109 D CA . 16912 1 1416 . 1 1 108 108 ASP CB C 13 40.528 0.520 . 1 3 . . . 109 D CB . 16912 1 1417 . 1 1 108 108 ASP N N 15 120.703 0.036 . 1 8 . . . 109 D N . 16912 1 1418 . 1 1 109 109 LEU H H 1 8.040 0.001 . 1 2 . . . 110 L H . 16912 1 1419 . 1 1 109 109 LEU HA H 1 4.299 0.000 . 1 1 . . . 110 L HA . 16912 1 1420 . 1 1 109 109 LEU HB2 H 1 1.567 0.000 . 2 2 . . . 110 L QB . 16912 1 1421 . 1 1 109 109 LEU HB3 H 1 1.567 0.000 . 2 2 . . . 110 L QB . 16912 1 1422 . 1 1 109 109 LEU HD11 H 1 0.878 0.000 . 2 1 . . . 110 L HD1# . 16912 1 1423 . 1 1 109 109 LEU HD12 H 1 0.878 0.000 . 2 1 . . . 110 L HD1# . 16912 1 1424 . 1 1 109 109 LEU HD13 H 1 0.878 0.000 . 2 1 . . . 110 L HD1# . 16912 1 1425 . 1 1 109 109 LEU HD21 H 1 0.825 0.000 . 2 1 . . . 110 L HD2# . 16912 1 1426 . 1 1 109 109 LEU HD22 H 1 0.825 0.000 . 2 1 . . . 110 L HD2# . 16912 1 1427 . 1 1 109 109 LEU HD23 H 1 0.825 0.000 . 2 1 . . . 110 L HD2# . 16912 1 1428 . 1 1 109 109 LEU HG H 1 1.569 0.000 . 1 1 . . . 110 L HG . 16912 1 1429 . 1 1 109 109 LEU C C 13 176.923 0.006 . 1 5 . . . 110 L C . 16912 1 1430 . 1 1 109 109 LEU CA C 13 55.116 0.034 . 1 3 . . . 110 L CA . 16912 1 1431 . 1 1 109 109 LEU CB C 13 42.616 0.130 . 1 4 . . . 110 L CB . 16912 1 1432 . 1 1 109 109 LEU CD1 C 13 25.054 0.000 . 2 1 . . . 110 L CD1 . 16912 1 1433 . 1 1 109 109 LEU CD2 C 13 23.483 0.000 . 2 1 . . . 110 L CD2 . 16912 1 1434 . 1 1 109 109 LEU CG C 13 26.967 0.000 . 1 1 . . . 110 L CG . 16912 1 1435 . 1 1 109 109 LEU N N 15 122.123 0.039 . 1 6 . . . 110 L N . 16912 1 1436 . 1 1 110 110 ASP H H 1 8.358 0.001 . 1 2 . . . 111 D H . 16912 1 1437 . 1 1 110 110 ASP HA H 1 4.589 0.000 . 1 1 . . . 111 D HA . 16912 1 1438 . 1 1 110 110 ASP HB2 H 1 2.716 0.000 . 2 1 . . . 111 D HB2 . 16912 1 1439 . 1 1 110 110 ASP HB3 H 1 2.583 0.000 . 2 1 . . . 111 D HB3 . 16912 1 1440 . 1 1 110 110 ASP C C 13 175.990 0.006 . 1 4 . . . 111 D C . 16912 1 1441 . 1 1 110 110 ASP CA C 13 54.213 0.033 . 1 2 . . . 111 D CA . 16912 1 1442 . 1 1 110 110 ASP CB C 13 40.918 0.049 . 1 3 . . . 111 D CB . 16912 1 1443 . 1 1 110 110 ASP N N 15 121.043 0.053 . 1 6 . . . 111 D N . 16912 1 1444 . 1 1 111 111 LEU H H 1 8.047 0.003 . 1 2 . . . 112 L H . 16912 1 1445 . 1 1 111 111 LEU HA H 1 4.289 0.000 . 1 1 . . . 112 L HA . 16912 1 1446 . 1 1 111 111 LEU HB2 H 1 1.587 0.000 . 2 1 . . . 112 L QB . 16912 1 1447 . 1 1 111 111 LEU HB3 H 1 1.587 0.000 . 2 1 . . . 112 L QB . 16912 1 1448 . 1 1 111 111 LEU HD11 H 1 0.891 0.000 . 2 1 . . . 112 L HD1# . 16912 1 1449 . 1 1 111 111 LEU HD12 H 1 0.891 0.000 . 2 1 . . . 112 L HD1# . 16912 1 1450 . 1 1 111 111 LEU HD13 H 1 0.891 0.000 . 2 1 . . . 112 L HD1# . 16912 1 1451 . 1 1 111 111 LEU HD21 H 1 0.830 0.000 . 2 1 . . . 112 L HD2# . 16912 1 1452 . 1 1 111 111 LEU HD22 H 1 0.830 0.000 . 2 1 . . . 112 L HD2# . 16912 1 1453 . 1 1 111 111 LEU HD23 H 1 0.830 0.000 . 2 1 . . . 112 L HD2# . 16912 1 1454 . 1 1 111 111 LEU HG H 1 1.578 0.000 . 1 1 . . . 112 L HG . 16912 1 1455 . 1 1 111 111 LEU C C 13 177.228 0.003 . 1 6 . . . 112 L C . 16912 1 1456 . 1 1 111 111 LEU CA C 13 55.261 0.328 . 1 2 . . . 112 L CA . 16912 1 1457 . 1 1 111 111 LEU CB C 13 42.599 0.048 . 1 3 . . . 112 L CB . 16912 1 1458 . 1 1 111 111 LEU CD1 C 13 25.116 0.000 . 2 1 . . . 112 L CD1 . 16912 1 1459 . 1 1 111 111 LEU CD2 C 13 23.448 0.000 . 2 1 . . . 112 L CD2 . 16912 1 1460 . 1 1 111 111 LEU CG C 13 26.891 0.000 . 1 1 . . . 112 L CG . 16912 1 1461 . 1 1 111 111 LEU N N 15 122.357 0.014 . 1 5 . . . 112 L N . 16912 1 1462 . 1 1 112 112 ASP H H 1 8.325 0.001 . 1 2 . . . 113 D H . 16912 1 1463 . 1 1 112 112 ASP HA H 1 4.549 0.000 . 1 1 . . . 113 D HA . 16912 1 1464 . 1 1 112 112 ASP HB2 H 1 2.600 0.000 . 2 1 . . . 113 D QB . 16912 1 1465 . 1 1 112 112 ASP HB3 H 1 2.600 0.000 . 2 1 . . . 113 D QB . 16912 1 1466 . 1 1 112 112 ASP C C 13 176.144 0.004 . 1 7 . . . 113 D C . 16912 1 1467 . 1 1 112 112 ASP CA C 13 54.560 0.035 . 1 3 . . . 113 D CA . 16912 1 1468 . 1 1 112 112 ASP CB C 13 41.203 0.076 . 1 3 . . . 113 D CB . 16912 1 1469 . 1 1 112 112 ASP N N 15 121.055 0.005 . 1 7 . . . 113 D N . 16912 1 1470 . 1 1 113 113 GLU H H 1 8.140 0.001 . 1 2 . . . 114 E H . 16912 1 1471 . 1 1 113 113 GLU HA H 1 4.204 0.002 . 1 2 . . . 114 E HA . 16912 1 1472 . 1 1 113 113 GLU HB2 H 1 1.833 0.000 . 2 1 . . . 114 E QB . 16912 1 1473 . 1 1 113 113 GLU HB3 H 1 1.833 0.000 . 2 1 . . . 114 E QB . 16912 1 1474 . 1 1 113 113 GLU HG2 H 1 2.061 0.000 . 2 1 . . . 114 E QG . 16912 1 1475 . 1 1 113 113 GLU HG3 H 1 2.061 0.000 . 2 1 . . . 114 E QG . 16912 1 1476 . 1 1 113 113 GLU C C 13 175.949 0.019 . 1 3 . . . 114 E C . 16912 1 1477 . 1 1 113 113 GLU CA C 13 56.551 0.066 . 1 3 . . . 114 E CA . 16912 1 1478 . 1 1 113 113 GLU CB C 13 30.437 0.035 . 1 3 . . . 114 E CB . 16912 1 1479 . 1 1 113 113 GLU CG C 13 35.864 0.000 . 1 1 . . . 114 E CG . 16912 1 1480 . 1 1 113 113 GLU N N 15 120.518 0.005 . 1 8 . . . 114 E N . 16912 1 1481 . 1 1 114 114 PHE H H 1 8.188 0.006 . 1 2 . . . 115 F H . 16912 1 1482 . 1 1 114 114 PHE HA H 1 4.639 0.001 . 1 2 . . . 115 F HA . 16912 1 1483 . 1 1 114 114 PHE HB2 H 1 3.119 0.000 . 2 2 . . . 115 F HB2 . 16912 1 1484 . 1 1 114 114 PHE HB3 H 1 2.987 0.002 . 2 2 . . . 115 F HB3 . 16912 1 1485 . 1 1 114 114 PHE C C 13 175.369 0.005 . 1 7 . . . 115 F C . 16912 1 1486 . 1 1 114 114 PHE CA C 13 57.481 0.040 . 1 2 . . . 115 F CA . 16912 1 1487 . 1 1 114 114 PHE CB C 13 39.892 0.029 . 1 6 . . . 115 F CB . 16912 1 1488 . 1 1 114 114 PHE N N 15 120.560 0.048 . 1 4 . . . 115 F N . 16912 1 1489 . 1 1 115 115 GLU H H 1 8.174 0.006 . 1 2 . . . 116 E H . 16912 1 1490 . 1 1 115 115 GLU HA H 1 4.274 0.000 . 1 2 . . . 116 E HA . 16912 1 1491 . 1 1 115 115 GLU HB2 H 1 1.922 0.000 . 2 1 . . . 116 E QB . 16912 1 1492 . 1 1 115 115 GLU HB3 H 1 1.922 0.000 . 2 1 . . . 116 E QB . 16912 1 1493 . 1 1 115 115 GLU HG2 H 1 2.194 0.000 . 2 1 . . . 116 E QG . 16912 1 1494 . 1 1 115 115 GLU HG3 H 1 2.194 0.000 . 2 1 . . . 116 E QG . 16912 1 1495 . 1 1 115 115 GLU C C 13 175.651 0.003 . 1 4 . . . 116 E C . 16912 1 1496 . 1 1 115 115 GLU CA C 13 56.107 0.069 . 1 3 . . . 116 E CA . 16912 1 1497 . 1 1 115 115 GLU CB C 13 30.877 0.028 . 1 3 . . . 116 E CB . 16912 1 1498 . 1 1 115 115 GLU CG C 13 35.902 0.000 . 1 1 . . . 116 E CG . 16912 1 1499 . 1 1 115 115 GLU N N 15 122.511 0.033 . 1 8 . . . 116 E N . 16912 1 1500 . 1 1 116 116 GLU H H 1 8.384 0.001 . 1 2 . . . 117 E H . 16912 1 1501 . 1 1 116 116 GLU HA H 1 4.312 0.002 . 1 2 . . . 117 E HA . 16912 1 1502 . 1 1 116 116 GLU HB2 H 1 1.967 0.000 . 2 1 . . . 117 E HB2 . 16912 1 1503 . 1 1 116 116 GLU HB3 H 1 1.919 0.000 . 2 1 . . . 117 E HB3 . 16912 1 1504 . 1 1 116 116 GLU HG2 H 1 2.245 0.000 . 2 1 . . . 117 E QG . 16912 1 1505 . 1 1 116 116 GLU HG3 H 1 2.245 0.000 . 2 1 . . . 117 E QG . 16912 1 1506 . 1 1 116 116 GLU C C 13 175.991 0.002 . 1 5 . . . 117 E C . 16912 1 1507 . 1 1 116 116 GLU CA C 13 56.189 0.081 . 1 4 . . . 117 E CA . 16912 1 1508 . 1 1 116 116 GLU CB C 13 30.415 0.037 . 1 4 . . . 117 E CB . 16912 1 1509 . 1 1 116 116 GLU CG C 13 36.027 0.000 . 1 1 . . . 117 E CG . 16912 1 1510 . 1 1 116 116 GLU N N 15 122.800 0.018 . 1 5 . . . 117 E N . 16912 1 1511 . 1 1 117 117 ILE H H 1 8.233 0.006 . 1 2 . . . 118 I H . 16912 1 1512 . 1 1 117 117 ILE HA H 1 4.188 0.000 . 1 1 . . . 118 I HA . 16912 1 1513 . 1 1 117 117 ILE HB H 1 1.818 0.000 . 1 1 . . . 118 I HB . 16912 1 1514 . 1 1 117 117 ILE HD11 H 1 0.817 0.000 . . 1 . . . 118 I HD1# . 16912 1 1515 . 1 1 117 117 ILE HD12 H 1 0.817 0.000 . . 1 . . . 118 I HD1# . 16912 1 1516 . 1 1 117 117 ILE HD13 H 1 0.817 0.000 . . 1 . . . 118 I HD1# . 16912 1 1517 . 1 1 117 117 ILE HG12 H 1 1.419 0.000 . 2 1 . . . 118 I HG12 . 16912 1 1518 . 1 1 117 117 ILE HG13 H 1 1.122 0.000 . 2 1 . . . 118 I HG13 . 16912 1 1519 . 1 1 117 117 ILE HG21 H 1 0.867 0.000 . . 1 . . . 118 I HG2# . 16912 1 1520 . 1 1 117 117 ILE HG22 H 1 0.867 0.000 . . 1 . . . 118 I HG2# . 16912 1 1521 . 1 1 117 117 ILE HG23 H 1 0.867 0.000 . . 1 . . . 118 I HG2# . 16912 1 1522 . 1 1 117 117 ILE C C 13 175.590 0.003 . 1 7 . . . 118 I C . 16912 1 1523 . 1 1 117 117 ILE CA C 13 60.738 0.057 . 1 3 . . . 118 I CA . 16912 1 1524 . 1 1 117 117 ILE CB C 13 39.358 0.042 . 1 3 . . . 118 I CB . 16912 1 1525 . 1 1 117 117 ILE CD1 C 13 12.935 0.000 . 1 1 . . . 118 I CD1 . 16912 1 1526 . 1 1 117 117 ILE CG1 C 13 27.142 0.014 . 1 2 . . . 118 I CG1 . 16912 1 1527 . 1 1 117 117 ILE CG2 C 13 17.611 0.000 . 1 1 . . . 118 I CG2 . 16912 1 1528 . 1 1 117 117 ILE N N 15 122.509 0.020 . 1 6 . . . 118 I N . 16912 1 1529 . 1 1 118 118 ASP H H 1 8.481 0.001 . 1 2 . . . 119 D H . 16912 1 1530 . 1 1 118 118 ASP HA H 1 4.647 0.000 . 1 1 . . . 119 D HA . 16912 1 1531 . 1 1 118 118 ASP HB2 H 1 2.721 0.000 . 2 1 . . . 119 D HB2 . 16912 1 1532 . 1 1 118 118 ASP HB3 H 1 2.555 0.000 . 2 1 . . . 119 D HB3 . 16912 1 1533 . 1 1 118 118 ASP C C 13 176.109 0.003 . 1 5 . . . 119 D C . 16912 1 1534 . 1 1 118 118 ASP CA C 13 54.055 0.034 . 1 3 . . . 119 D CA . 16912 1 1535 . 1 1 118 118 ASP CB C 13 41.331 0.044 . 1 4 . . . 119 D CB . 16912 1 1536 . 1 1 118 118 ASP N N 15 125.291 0.015 . 1 8 . . . 119 D N . 16912 1 1537 . 1 1 119 119 GLU H H 1 8.433 0.001 . 1 2 . . . 120 E H . 16912 1 1538 . 1 1 119 119 GLU HA H 1 4.248 0.000 . 1 2 . . . 120 E HA . 16912 1 1539 . 1 1 119 119 GLU HB2 H 1 2.053 0.000 . 2 1 . . . 120 E HB2 . 16912 1 1540 . 1 1 119 119 GLU HB3 H 1 1.897 0.000 . 2 1 . . . 120 E HB3 . 16912 1 1541 . 1 1 119 119 GLU HG2 H 1 2.249 0.000 . 2 1 . . . 120 E QG . 16912 1 1542 . 1 1 119 119 GLU HG3 H 1 2.249 0.000 . 2 1 . . . 120 E QG . 16912 1 1543 . 1 1 119 119 GLU C C 13 176.235 0.002 . 1 3 . . . 120 E C . 16912 1 1544 . 1 1 119 119 GLU CA C 13 56.636 0.097 . 1 3 . . . 120 E CA . 16912 1 1545 . 1 1 119 119 GLU CB C 13 30.477 0.079 . 1 3 . . . 120 E CB . 16912 1 1546 . 1 1 119 119 GLU CG C 13 36.012 0.000 . 1 1 . . . 120 E CG . 16912 1 1547 . 1 1 119 119 GLU N N 15 122.271 0.005 . 1 6 . . . 120 E N . 16912 1 1548 . 1 1 120 120 ASP H H 1 8.405 0.002 . 1 2 . . . 121 D H . 16912 1 1549 . 1 1 120 120 ASP HA H 1 4.571 0.000 . 1 1 . . . 121 D HA . 16912 1 1550 . 1 1 120 120 ASP HB2 H 1 2.624 0.000 . 2 1 . . . 121 D QB . 16912 1 1551 . 1 1 120 120 ASP HB3 H 1 2.624 0.000 . 2 1 . . . 121 D QB . 16912 1 1552 . 1 1 120 120 ASP C C 13 175.969 0.003 . 1 5 . . . 121 D C . 16912 1 1553 . 1 1 120 120 ASP CA C 13 54.603 0.038 . 1 2 . . . 121 D CA . 16912 1 1554 . 1 1 120 120 ASP CB C 13 41.242 0.019 . 1 2 . . . 121 D CB . 16912 1 1555 . 1 1 120 120 ASP N N 15 121.098 0.021 . 1 4 . . . 121 D N . 16912 1 1556 . 1 1 121 121 ASP H H 1 8.224 0.003 . 1 2 . . . 122 D H . 16912 1 1557 . 1 1 121 121 ASP HA H 1 4.569 0.000 . 1 1 . . . 122 D HA . 16912 1 1558 . 1 1 121 121 ASP HB2 H 1 2.721 0.000 . 2 1 . . . 122 D HB2 . 16912 1 1559 . 1 1 121 121 ASP HB3 H 1 2.584 0.000 . 2 1 . . . 122 D HB3 . 16912 1 1560 . 1 1 121 121 ASP C C 13 176.000 0.007 . 1 7 . . . 122 D C . 16912 1 1561 . 1 1 121 121 ASP CA C 13 54.384 0.034 . 1 3 . . . 122 D CA . 16912 1 1562 . 1 1 121 121 ASP CB C 13 40.852 0.044 . 1 4 . . . 122 D CB . 16912 1 1563 . 1 1 121 121 ASP N N 15 120.532 0.041 . 1 6 . . . 122 D N . 16912 1 1564 . 1 1 122 122 LEU H H 1 8.041 0.001 . 1 2 . . . 123 L H . 16912 1 1565 . 1 1 122 122 LEU HA H 1 4.279 0.000 . 1 1 . . . 123 L HA . 16912 1 1566 . 1 1 122 122 LEU HB2 H 1 1.608 0.000 . 2 1 . . . 123 L HB2 . 16912 1 1567 . 1 1 122 122 LEU HB3 H 1 1.538 0.000 . 2 1 . . . 123 L HB3 . 16912 1 1568 . 1 1 122 122 LEU HD11 H 1 0.891 0.000 . 2 1 . . . 123 L HD1# . 16912 1 1569 . 1 1 122 122 LEU HD12 H 1 0.891 0.000 . 2 1 . . . 123 L HD1# . 16912 1 1570 . 1 1 122 122 LEU HD13 H 1 0.891 0.000 . 2 1 . . . 123 L HD1# . 16912 1 1571 . 1 1 122 122 LEU HD21 H 1 0.835 0.000 . 2 1 . . . 123 L HD2# . 16912 1 1572 . 1 1 122 122 LEU HD22 H 1 0.835 0.000 . 2 1 . . . 123 L HD2# . 16912 1 1573 . 1 1 122 122 LEU HD23 H 1 0.835 0.000 . 2 1 . . . 123 L HD2# . 16912 1 1574 . 1 1 122 122 LEU HG H 1 1.584 0.000 . 1 1 . . . 123 L HG . 16912 1 1575 . 1 1 122 122 LEU C C 13 176.999 0.001 . 1 5 . . . 123 L C . 16912 1 1576 . 1 1 122 122 LEU CA C 13 55.243 0.071 . 1 3 . . . 123 L CA . 16912 1 1577 . 1 1 122 122 LEU CB C 13 42.649 0.050 . 1 4 . . . 123 L CB . 16912 1 1578 . 1 1 122 122 LEU CD1 C 13 25.033 0.000 . 2 1 . . . 123 L CD1 . 16912 1 1579 . 1 1 122 122 LEU CD2 C 13 23.512 0.000 . 2 1 . . . 123 L CD2 . 16912 1 1580 . 1 1 122 122 LEU CG C 13 26.921 0.000 . 1 1 . . . 123 L CG . 16912 1 1581 . 1 1 122 122 LEU N N 15 122.187 0.038 . 1 8 . . . 123 L N . 16912 1 1582 . 1 1 123 123 ASP H H 1 8.354 0.002 . 1 2 . . . 124 D H . 16912 1 1583 . 1 1 123 123 ASP HA H 1 4.598 0.000 . 1 1 . . . 124 D HA . 16912 1 1584 . 1 1 123 123 ASP HB2 H 1 2.731 0.000 . 2 1 . . . 124 D HB2 . 16912 1 1585 . 1 1 123 123 ASP HB3 H 1 2.551 0.000 . 2 1 . . . 124 D HB3 . 16912 1 1586 . 1 1 123 123 ASP C C 13 176.019 0.002 . 1 7 . . . 124 D C . 16912 1 1587 . 1 1 123 123 ASP CA C 13 53.970 0.117 . 1 3 . . . 124 D CA . 16912 1 1588 . 1 1 123 123 ASP CB C 13 40.835 0.033 . 1 4 . . . 124 D CB . 16912 1 1589 . 1 1 123 123 ASP N N 15 121.276 0.074 . 1 6 . . . 124 D N . 16912 1 1590 . 1 1 124 124 LEU H H 1 8.120 0.000 . 1 2 . . . 125 L H . 16912 1 1591 . 1 1 124 124 LEU HA H 1 4.298 0.000 . 1 1 . . . 125 L HA . 16912 1 1592 . 1 1 124 124 LEU HB2 H 1 1.587 0.002 . 2 2 . . . 125 L QB . 16912 1 1593 . 1 1 124 124 LEU HB3 H 1 1.587 0.002 . 2 2 . . . 125 L QB . 16912 1 1594 . 1 1 124 124 LEU HD11 H 1 0.895 0.000 . 2 1 . . . 125 L HD1# . 16912 1 1595 . 1 1 124 124 LEU HD12 H 1 0.895 0.000 . 2 1 . . . 125 L HD1# . 16912 1 1596 . 1 1 124 124 LEU HD13 H 1 0.895 0.000 . 2 1 . . . 125 L HD1# . 16912 1 1597 . 1 1 124 124 LEU HD21 H 1 0.834 0.000 . 2 1 . . . 125 L HD2# . 16912 1 1598 . 1 1 124 124 LEU HD22 H 1 0.834 0.000 . 2 1 . . . 125 L HD2# . 16912 1 1599 . 1 1 124 124 LEU HD23 H 1 0.834 0.000 . 2 1 . . . 125 L HD2# . 16912 1 1600 . 1 1 124 124 LEU HG H 1 1.587 0.000 . 1 1 . . . 125 L HG . 16912 1 1601 . 1 1 124 124 LEU C C 13 177.240 0.012 . 1 3 . . . 125 L C . 16912 1 1602 . 1 1 124 124 LEU CA C 13 55.111 0.067 . 1 2 . . . 125 L CA . 16912 1 1603 . 1 1 124 124 LEU CB C 13 42.503 0.036 . 1 3 . . . 125 L CB . 16912 1 1604 . 1 1 124 124 LEU CD1 C 13 25.115 0.000 . 2 1 . . . 125 L CD1 . 16912 1 1605 . 1 1 124 124 LEU CD2 C 13 23.362 0.000 . 2 1 . . . 125 L CD2 . 16912 1 1606 . 1 1 124 124 LEU CG C 13 26.856 0.000 . 1 1 . . . 125 L CG . 16912 1 1607 . 1 1 124 124 LEU N N 15 122.718 0.015 . 1 8 . . . 125 L N . 16912 1 1608 . 1 1 125 125 ASP H H 1 8.317 0.001 . 1 2 . . . 126 D H . 16912 1 1609 . 1 1 125 125 ASP HA H 1 4.568 0.000 . 1 1 . . . 126 D HA . 16912 1 1610 . 1 1 125 125 ASP HB2 H 1 2.655 0.000 . 2 1 . . . 126 D HB2 . 16912 1 1611 . 1 1 125 125 ASP HB3 H 1 2.599 0.000 . 2 1 . . . 126 D HB3 . 16912 1 1612 . 1 1 125 125 ASP C C 13 176.062 0.011 . 1 3 . . . 126 D C . 16912 1 1613 . 1 1 125 125 ASP CA C 13 54.441 0.083 . 1 2 . . . 126 D CA . 16912 1 1614 . 1 1 125 125 ASP CB C 13 41.157 0.058 . 1 3 . . . 126 D CB . 16912 1 1615 . 1 1 125 125 ASP N N 15 121.059 0.004 . 1 4 . . . 126 D N . 16912 1 1616 . 1 1 126 126 GLU H H 1 8.198 0.001 . 1 2 . . . 127 E H . 16912 1 1617 . 1 1 126 126 GLU HA H 1 4.301 0.000 . 1 2 . . . 127 E HA . 16912 1 1618 . 1 1 126 126 GLU HB2 H 1 2.018 0.000 . 2 1 . . . 127 E HB2 . 16912 1 1619 . 1 1 126 126 GLU HB3 H 1 1.891 0.000 . 2 1 . . . 127 E HB3 . 16912 1 1620 . 1 1 126 126 GLU HG2 H 1 2.228 0.000 . 2 1 . . . 127 E QG . 16912 1 1621 . 1 1 126 126 GLU HG3 H 1 2.228 0.000 . 2 1 . . . 127 E QG . 16912 1 1622 . 1 1 126 126 GLU C C 13 176.204 0.003 . 1 5 . . . 127 E C . 16912 1 1623 . 1 1 126 126 GLU CA C 13 56.308 0.044 . 1 3 . . . 127 E CA . 16912 1 1624 . 1 1 126 126 GLU CB C 13 30.389 0.093 . 1 3 . . . 127 E CB . 16912 1 1625 . 1 1 126 126 GLU CG C 13 35.962 0.000 . 1 1 . . . 127 E CG . 16912 1 1626 . 1 1 126 126 GLU N N 15 121.082 0.026 . 1 4 . . . 127 E N . 16912 1 1627 . 1 1 127 127 VAL H H 1 8.151 0.008 . 1 2 . . . 128 V H . 16912 1 1628 . 1 1 127 127 VAL HA H 1 4.099 0.000 . 1 1 . . . 128 V HA . 16912 1 1629 . 1 1 127 127 VAL HB H 1 2.039 0.000 . 1 1 . . . 128 V HB . 16912 1 1630 . 1 1 127 127 VAL HG11 H 1 0.897 0.000 . 2 1 . . . 128 V HG1# . 16912 1 1631 . 1 1 127 127 VAL HG12 H 1 0.897 0.000 . 2 1 . . . 128 V HG1# . 16912 1 1632 . 1 1 127 127 VAL HG13 H 1 0.897 0.000 . 2 1 . . . 128 V HG1# . 16912 1 1633 . 1 1 127 127 VAL HG21 H 1 0.911 0.000 . 2 1 . . . 128 V HG2# . 16912 1 1634 . 1 1 127 127 VAL HG22 H 1 0.911 0.000 . 2 1 . . . 128 V HG2# . 16912 1 1635 . 1 1 127 127 VAL HG23 H 1 0.911 0.000 . 2 1 . . . 128 V HG2# . 16912 1 1636 . 1 1 127 127 VAL C C 13 176.035 0.007 . 1 7 . . . 128 V C . 16912 1 1637 . 1 1 127 127 VAL CA C 13 62.194 0.074 . 1 3 . . . 128 V CA . 16912 1 1638 . 1 1 127 127 VAL CB C 13 33.004 0.055 . 1 3 . . . 128 V CB . 16912 1 1639 . 1 1 127 127 VAL CG1 C 13 21.265 0.000 . 2 1 . . . 128 V CG1 . 16912 1 1640 . 1 1 127 127 VAL CG2 C 13 20.787 0.000 . 2 1 . . . 128 V CG2 . 16912 1 1641 . 1 1 127 127 VAL N N 15 121.666 0.038 . 1 6 . . . 128 V N . 16912 1 1642 . 1 1 128 128 GLU H H 1 8.471 0.000 . 1 2 . . . 129 E H . 16912 1 1643 . 1 1 128 128 GLU HA H 1 4.290 0.000 . 1 2 . . . 129 E HA . 16912 1 1644 . 1 1 128 128 GLU HB2 H 1 1.983 0.000 . 2 1 . . . 129 E HB2 . 16912 1 1645 . 1 1 128 128 GLU HB3 H 1 1.908 0.000 . 2 1 . . . 129 E HB3 . 16912 1 1646 . 1 1 128 128 GLU HG2 H 1 2.252 0.000 . 2 1 . . . 129 E QG . 16912 1 1647 . 1 1 128 128 GLU HG3 H 1 2.252 0.000 . 2 1 . . . 129 E QG . 16912 1 1648 . 1 1 128 128 GLU C C 13 176.200 0.002 . 1 3 . . . 129 E C . 16912 1 1649 . 1 1 128 128 GLU CA C 13 56.439 0.149 . 1 3 . . . 129 E CA . 16912 1 1650 . 1 1 128 128 GLU CB C 13 30.404 0.105 . 1 3 . . . 129 E CB . 16912 1 1651 . 1 1 128 128 GLU CG C 13 35.985 0.000 . 1 1 . . . 129 E CG . 16912 1 1652 . 1 1 128 128 GLU N N 15 125.352 0.029 . 1 8 . . . 129 E N . 16912 1 1653 . 1 1 129 129 GLU H H 1 8.415 0.001 . 1 2 . . . 130 E H . 16912 1 1654 . 1 1 129 129 GLU HA H 1 4.261 0.001 . 1 2 . . . 130 E HA . 16912 1 1655 . 1 1 129 129 GLU HB2 H 1 1.930 0.000 . 2 1 . . . 130 E QB . 16912 1 1656 . 1 1 129 129 GLU HB3 H 1 1.930 0.000 . 2 1 . . . 130 E QB . 16912 1 1657 . 1 1 129 129 GLU HG2 H 1 2.231 0.000 . 2 1 . . . 130 E QG . 16912 1 1658 . 1 1 129 129 GLU HG3 H 1 2.231 0.000 . 2 1 . . . 130 E QG . 16912 1 1659 . 1 1 129 129 GLU C C 13 176.124 0.002 . 1 3 . . . 130 E C . 16912 1 1660 . 1 1 129 129 GLU CA C 13 56.410 0.045 . 1 3 . . . 130 E CA . 16912 1 1661 . 1 1 129 129 GLU CB C 13 30.625 0.098 . 1 2 . . . 130 E CB . 16912 1 1662 . 1 1 129 129 GLU CG C 13 36.018 0.000 . 1 1 . . . 130 E CG . 16912 1 1663 . 1 1 129 129 GLU N N 15 122.876 0.026 . 1 4 . . . 130 E N . 16912 1 1664 . 1 1 130 130 GLU H H 1 8.477 0.002 . 1 2 . . . 131 E H . 16912 1 1665 . 1 1 130 130 GLU HA H 1 4.267 0.000 . 1 2 . . . 131 E HA . 16912 1 1666 . 1 1 130 130 GLU HB2 H 1 1.941 0.000 . 2 1 . . . 131 E QB . 16912 1 1667 . 1 1 130 130 GLU HB3 H 1 1.941 0.000 . 2 1 . . . 131 E QB . 16912 1 1668 . 1 1 130 130 GLU HG2 H 1 2.243 0.000 . 2 1 . . . 131 E QG . 16912 1 1669 . 1 1 130 130 GLU HG3 H 1 2.243 0.000 . 2 1 . . . 131 E QG . 16912 1 1670 . 1 1 130 130 GLU C C 13 176.093 0.002 . 1 6 . . . 131 E C . 16912 1 1671 . 1 1 130 130 GLU CA C 13 56.386 0.051 . 1 3 . . . 131 E CA . 16912 1 1672 . 1 1 130 130 GLU CB C 13 30.440 0.030 . 1 3 . . . 131 E CB . 16912 1 1673 . 1 1 130 130 GLU CG C 13 35.995 0.000 . 1 1 . . . 131 E CG . 16912 1 1674 . 1 1 130 130 GLU N N 15 122.909 0.019 . 1 4 . . . 131 E N . 16912 1 1675 . 1 1 131 131 LEU H H 1 8.282 0.000 . 1 2 . . . 132 L H . 16912 1 1676 . 1 1 131 131 LEU HA H 1 4.322 0.000 . 1 1 . . . 132 L HA . 16912 1 1677 . 1 1 131 131 LEU HB2 H 1 1.554 0.002 . 2 2 . . . 132 L QB . 16912 1 1678 . 1 1 131 131 LEU HB3 H 1 1.554 0.002 . 2 2 . . . 132 L QB . 16912 1 1679 . 1 1 131 131 LEU HD11 H 1 0.889 0.000 . 2 1 . . . 132 L HD1# . 16912 1 1680 . 1 1 131 131 LEU HD12 H 1 0.889 0.000 . 2 1 . . . 132 L HD1# . 16912 1 1681 . 1 1 131 131 LEU HD13 H 1 0.889 0.000 . 2 1 . . . 132 L HD1# . 16912 1 1682 . 1 1 131 131 LEU HD21 H 1 0.834 0.000 . 2 1 . . . 132 L HD2# . 16912 1 1683 . 1 1 131 131 LEU HD22 H 1 0.834 0.000 . 2 1 . . . 132 L HD2# . 16912 1 1684 . 1 1 131 131 LEU HD23 H 1 0.834 0.000 . 2 1 . . . 132 L HD2# . 16912 1 1685 . 1 1 131 131 LEU HG H 1 1.572 0.000 . 1 1 . . . 132 L HG . 16912 1 1686 . 1 1 131 131 LEU C C 13 176.815 0.003 . 1 7 . . . 132 L C . 16912 1 1687 . 1 1 131 131 LEU CA C 13 55.014 0.041 . 1 3 . . . 132 L CA . 16912 1 1688 . 1 1 131 131 LEU CB C 13 42.884 0.032 . 1 4 . . . 132 L CB . 16912 1 1689 . 1 1 131 131 LEU CD1 C 13 24.924 0.000 . 2 1 . . . 132 L CD1 . 16912 1 1690 . 1 1 131 131 LEU CD2 C 13 23.527 0.000 . 2 1 . . . 132 L CD2 . 16912 1 1691 . 1 1 131 131 LEU CG C 13 27.000 0.000 . 1 1 . . . 132 L CG . 16912 1 1692 . 1 1 131 131 LEU N N 15 124.118 0.025 . 1 7 . . . 132 L N . 16912 1 1693 . 1 1 132 132 ASP H H 1 8.413 0.001 . 1 2 . . . 133 D H . 16912 1 1694 . 1 1 132 132 ASP HA H 1 4.609 0.000 . 1 1 . . . 133 D HA . 16912 1 1695 . 1 1 132 132 ASP HB2 H 1 2.721 0.000 . 2 1 . . . 133 D HB2 . 16912 1 1696 . 1 1 132 132 ASP HB3 H 1 2.551 0.000 . 2 1 . . . 133 D HB3 . 16912 1 1697 . 1 1 132 132 ASP C C 13 175.958 0.004 . 1 7 . . . 133 D C . 16912 1 1698 . 1 1 132 132 ASP CA C 13 53.929 0.058 . 1 3 . . . 133 D CA . 16912 1 1699 . 1 1 132 132 ASP CB C 13 40.827 0.030 . 1 4 . . . 133 D CB . 16912 1 1700 . 1 1 132 132 ASP N N 15 121.868 0.008 . 1 8 . . . 133 D N . 16912 1 1701 . 1 1 133 133 LEU H H 1 8.176 0.001 . 1 2 . . . 134 L H . 16912 1 1702 . 1 1 133 133 LEU HA H 1 4.292 0.000 . 1 1 . . . 134 L HA . 16912 1 1703 . 1 1 133 133 LEU HB2 H 1 1.589 0.000 . 2 1 . . . 134 L QB . 16912 1 1704 . 1 1 133 133 LEU HB3 H 1 1.589 0.000 . 2 1 . . . 134 L QB . 16912 1 1705 . 1 1 133 133 LEU HD11 H 1 0.895 0.000 . 2 1 . . . 134 L HD1# . 16912 1 1706 . 1 1 133 133 LEU HD12 H 1 0.895 0.000 . 2 1 . . . 134 L HD1# . 16912 1 1707 . 1 1 133 133 LEU HD13 H 1 0.895 0.000 . 2 1 . . . 134 L HD1# . 16912 1 1708 . 1 1 133 133 LEU HD21 H 1 0.841 0.000 . 2 1 . . . 134 L HD2# . 16912 1 1709 . 1 1 133 133 LEU HD22 H 1 0.841 0.000 . 2 1 . . . 134 L HD2# . 16912 1 1710 . 1 1 133 133 LEU HD23 H 1 0.841 0.000 . 2 1 . . . 134 L HD2# . 16912 1 1711 . 1 1 133 133 LEU HG H 1 1.593 0.000 . 1 1 . . . 134 L HG . 16912 1 1712 . 1 1 133 133 LEU C C 13 177.486 0.004 . 1 5 . . . 134 L C . 16912 1 1713 . 1 1 133 133 LEU CA C 13 55.319 0.152 . 1 3 . . . 134 L CA . 16912 1 1714 . 1 1 133 133 LEU CB C 13 42.527 0.030 . 1 3 . . . 134 L CB . 16912 1 1715 . 1 1 133 133 LEU CD1 C 13 25.028 0.000 . 2 1 . . . 134 L CD1 . 16912 1 1716 . 1 1 133 133 LEU CD2 C 13 23.384 0.000 . 2 1 . . . 134 L CD2 . 16912 1 1717 . 1 1 133 133 LEU CG C 13 26.933 0.000 . 1 1 . . . 134 L CG . 16912 1 1718 . 1 1 133 133 LEU N N 15 123.211 0.014 . 1 8 . . . 134 L N . 16912 1 1719 . 1 1 134 134 GLU H H 1 8.364 0.002 . 1 2 . . . 135 E H . 16912 1 1720 . 1 1 134 134 GLU HA H 1 4.252 0.000 . 1 2 . . . 135 E HA . 16912 1 1721 . 1 1 134 134 GLU HB2 H 1 2.048 0.000 . 2 1 . . . 135 E HB2 . 16912 1 1722 . 1 1 134 134 GLU HB3 H 1 1.908 0.000 . 2 1 . . . 135 E HB3 . 16912 1 1723 . 1 1 134 134 GLU HG2 H 1 2.248 0.000 . 2 1 . . . 135 E QG . 16912 1 1724 . 1 1 134 134 GLU HG3 H 1 2.248 0.000 . 2 1 . . . 135 E QG . 16912 1 1725 . 1 1 134 134 GLU C C 13 176.060 0.002 . 1 7 . . . 135 E C . 16912 1 1726 . 1 1 134 134 GLU CA C 13 56.236 0.101 . 1 4 . . . 135 E CA . 16912 1 1727 . 1 1 134 134 GLU CB C 13 30.058 0.052 . 1 4 . . . 135 E CB . 16912 1 1728 . 1 1 134 134 GLU CG C 13 35.989 0.000 . 1 1 . . . 135 E CG . 16912 1 1729 . 1 1 134 134 GLU N N 15 121.501 0.039 . 1 6 . . . 135 E N . 16912 1 1730 . 1 1 135 135 ALA H H 1 8.160 0.007 . 1 2 . . . 136 A H . 16912 1 1731 . 1 1 135 135 ALA HA H 1 4.262 0.000 . 1 1 . . . 136 A HA . 16912 1 1732 . 1 1 135 135 ALA HB1 H 1 1.356 0.000 . 1 1 . . . 136 A HB# . 16912 1 1733 . 1 1 135 135 ALA HB2 H 1 1.356 0.000 . 1 1 . . . 136 A HB# . 16912 1 1734 . 1 1 135 135 ALA HB3 H 1 1.356 0.000 . 1 1 . . . 136 A HB# . 16912 1 1735 . 1 1 135 135 ALA C C 13 177.360 0.002 . 1 7 . . . 136 A C . 16912 1 1736 . 1 1 135 135 ALA CA C 13 52.392 0.162 . 1 3 . . . 136 A CA . 16912 1 1737 . 1 1 135 135 ALA CB C 13 19.502 0.117 . 1 3 . . . 136 A CB . 16912 1 1738 . 1 1 135 135 ALA N N 15 125.249 0.040 . 1 8 . . . 136 A N . 16912 1 1739 . 1 1 136 136 ASP H H 1 8.264 0.000 . 1 2 . . . 137 D H . 16912 1 1740 . 1 1 136 136 ASP HA H 1 4.538 0.000 . 1 1 . . . 137 D HA . 16912 1 1741 . 1 1 136 136 ASP HB2 H 1 2.541 0.000 . 2 1 . . . 137 D QB . 16912 1 1742 . 1 1 136 136 ASP HB3 H 1 2.541 0.000 . 2 1 . . . 137 D QB . 16912 1 1743 . 1 1 136 136 ASP C C 13 175.719 0.001 . 1 3 . . . 137 D C . 16912 1 1744 . 1 1 136 136 ASP CA C 13 54.145 0.056 . 1 2 . . . 137 D CA . 16912 1 1745 . 1 1 136 136 ASP CB C 13 41.299 0.025 . 1 2 . . . 137 D CB . 16912 1 1746 . 1 1 136 136 ASP N N 15 120.084 0.016 . 1 8 . . . 137 D N . 16912 1 1747 . 1 1 137 137 ASP H H 1 8.146 0.001 . 1 2 . . . 138 D H . 16912 1 1748 . 1 1 137 137 ASP HA H 1 4.557 0.000 . 1 1 . . . 138 D HA . 16912 1 1749 . 1 1 137 137 ASP HB2 H 1 2.551 0.000 . 2 1 . . . 138 D QB . 16912 1 1750 . 1 1 137 137 ASP HB3 H 1 2.551 0.000 . 2 1 . . . 138 D QB . 16912 1 1751 . 1 1 137 137 ASP C C 13 175.679 0.004 . 1 7 . . . 138 D C . 16912 1 1752 . 1 1 137 137 ASP CA C 13 54.043 0.038 . 1 3 . . . 138 D CA . 16912 1 1753 . 1 1 137 137 ASP CB C 13 41.299 0.151 . 1 3 . . . 138 D CB . 16912 1 1754 . 1 1 137 137 ASP N N 15 120.495 0.018 . 1 4 . . . 138 D N . 16912 1 1755 . 1 1 138 138 PHE H H 1 8.092 0.004 . 1 2 . . . 139 F H . 16912 1 1756 . 1 1 138 138 PHE HA H 1 4.580 0.000 . 1 1 . . . 139 F HA . 16912 1 1757 . 1 1 138 138 PHE HB2 H 1 3.114 0.000 . 2 1 . . . 139 F HB2 . 16912 1 1758 . 1 1 138 138 PHE HB3 H 1 3.003 0.000 . 2 1 . . . 139 F HB3 . 16912 1 1759 . 1 1 138 138 PHE C C 13 175.271 0.008 . 1 7 . . . 139 F C . 16912 1 1760 . 1 1 138 138 PHE CA C 13 57.552 0.059 . 1 3 . . . 139 F CA . 16912 1 1761 . 1 1 138 138 PHE CB C 13 39.712 0.063 . 1 4 . . . 139 F CB . 16912 1 1762 . 1 1 138 138 PHE N N 15 120.536 0.020 . 1 8 . . . 139 F N . 16912 1 1763 . 1 1 139 139 ASP H H 1 8.288 0.000 . 1 2 . . . 140 D H . 16912 1 1764 . 1 1 139 139 ASP HA H 1 4.588 0.000 . 1 1 . . . 140 D HA . 16912 1 1765 . 1 1 139 139 ASP HB2 H 1 2.658 0.000 . 2 1 . . . 140 D HB2 . 16912 1 1766 . 1 1 139 139 ASP HB3 H 1 2.547 0.000 . 2 1 . . . 140 D HB3 . 16912 1 1767 . 1 1 139 139 ASP C C 13 175.762 0.003 . 1 7 . . . 140 D C . 16912 1 1768 . 1 1 139 139 ASP CA C 13 54.070 0.016 . 1 2 . . . 140 D CA . 16912 1 1769 . 1 1 139 139 ASP CB C 13 41.243 0.092 . 1 4 . . . 140 D CB . 16912 1 1770 . 1 1 139 139 ASP N N 15 122.708 0.008 . 1 8 . . . 140 D N . 16912 1 1771 . 1 1 140 140 GLU H H 1 8.260 0.001 . 1 2 . . . 141 E H . 16912 1 1772 . 1 1 140 140 GLU HA H 1 4.238 0.002 . 1 2 . . . 141 E HA . 16912 1 1773 . 1 1 140 140 GLU HB2 H 1 2.047 0.000 . 2 1 . . . 141 E HB2 . 16912 1 1774 . 1 1 140 140 GLU HB3 H 1 1.890 0.000 . 2 1 . . . 141 E HB3 . 16912 1 1775 . 1 1 140 140 GLU HG2 H 1 2.257 0.000 . 2 1 . . . 141 E QG . 16912 1 1776 . 1 1 140 140 GLU HG3 H 1 2.257 0.000 . 2 1 . . . 141 E QG . 16912 1 1777 . 1 1 140 140 GLU C C 13 176.346 0.004 . 1 3 . . . 141 E C . 16912 1 1778 . 1 1 140 140 GLU CA C 13 56.507 0.084 . 1 3 . . . 141 E CA . 16912 1 1779 . 1 1 140 140 GLU CB C 13 30.390 0.025 . 1 3 . . . 141 E CB . 16912 1 1780 . 1 1 140 140 GLU CG C 13 35.930 0.000 . 1 1 . . . 141 E CG . 16912 1 1781 . 1 1 140 140 GLU N N 15 121.792 0.048 . 1 8 . . . 141 E N . 16912 1 1782 . 1 1 141 141 GLU H H 1 8.396 0.000 . 1 2 . . . 142 E H . 16912 1 1783 . 1 1 141 141 GLU HA H 1 4.246 0.003 . 1 2 . . . 142 E HA . 16912 1 1784 . 1 1 141 141 GLU HB2 H 1 1.999 0.000 . 2 1 . . . 142 E HB2 . 16912 1 1785 . 1 1 141 141 GLU HB3 H 1 1.899 0.000 . 2 1 . . . 142 E HB3 . 16912 1 1786 . 1 1 141 141 GLU HG2 H 1 2.238 0.000 . 2 1 . . . 142 E QG . 16912 1 1787 . 1 1 141 141 GLU HG3 H 1 2.238 0.000 . 2 1 . . . 142 E QG . 16912 1 1788 . 1 1 141 141 GLU C C 13 175.963 0.004 . 1 5 . . . 142 E C . 16912 1 1789 . 1 1 141 141 GLU CA C 13 56.490 0.056 . 1 4 . . . 142 E CA . 16912 1 1790 . 1 1 141 141 GLU CB C 13 30.491 0.070 . 1 3 . . . 142 E CB . 16912 1 1791 . 1 1 141 141 GLU CG C 13 35.955 0.000 . 1 1 . . . 142 E CG . 16912 1 1792 . 1 1 141 141 GLU N N 15 121.938 0.045 . 1 4 . . . 142 E N . 16912 1 1793 . 1 1 142 142 ASP H H 1 8.383 0.001 . 1 2 . . . 143 D H . 16912 1 1794 . 1 1 142 142 ASP HA H 1 4.605 0.000 . 1 1 . . . 143 D HA . 16912 1 1795 . 1 1 142 142 ASP HB2 H 1 2.720 0.000 . 2 1 . . . 143 D HB2 . 16912 1 1796 . 1 1 142 142 ASP HB3 H 1 2.554 0.000 . 2 1 . . . 143 D HB3 . 16912 1 1797 . 1 1 142 142 ASP C C 13 175.843 0.002 . 1 7 . . . 143 D C . 16912 1 1798 . 1 1 142 142 ASP CA C 13 54.137 0.024 . 1 3 . . . 143 D CA . 16912 1 1799 . 1 1 142 142 ASP CB C 13 40.948 0.053 . 1 4 . . . 143 D CB . 16912 1 1800 . 1 1 142 142 ASP N N 15 121.910 0.017 . 1 6 . . . 143 D N . 16912 1 1801 . 1 1 143 143 LEU H H 1 8.188 0.000 . 1 2 . . . 144 L H . 16912 1 1802 . 1 1 143 143 LEU HA H 1 4.309 0.000 . 1 1 . . . 144 L HA . 16912 1 1803 . 1 1 143 143 LEU HB2 H 1 1.585 0.000 . 2 1 . . . 144 L QB . 16912 1 1804 . 1 1 143 143 LEU HB3 H 1 1.585 0.000 . 2 1 . . . 144 L QB . 16912 1 1805 . 1 1 143 143 LEU HD11 H 1 0.889 0.000 . 2 1 . . . 144 L HD1# . 16912 1 1806 . 1 1 143 143 LEU HD12 H 1 0.889 0.000 . 2 1 . . . 144 L HD1# . 16912 1 1807 . 1 1 143 143 LEU HD13 H 1 0.889 0.000 . 2 1 . . . 144 L HD1# . 16912 1 1808 . 1 1 143 143 LEU HD21 H 1 0.835 0.000 . 2 1 . . . 144 L HD2# . 16912 1 1809 . 1 1 143 143 LEU HD22 H 1 0.835 0.000 . 2 1 . . . 144 L HD2# . 16912 1 1810 . 1 1 143 143 LEU HD23 H 1 0.835 0.000 . 2 1 . . . 144 L HD2# . 16912 1 1811 . 1 1 143 143 LEU HG H 1 1.573 0.000 . 1 1 . . . 144 L HG . 16912 1 1812 . 1 1 143 143 LEU C C 13 177.056 0.002 . 1 5 . . . 144 L C . 16912 1 1813 . 1 1 143 143 LEU CA C 13 55.277 0.438 . 1 3 . . . 144 L CA . 16912 1 1814 . 1 1 143 143 LEU CB C 13 42.585 0.060 . 1 3 . . . 144 L CB . 16912 1 1815 . 1 1 143 143 LEU CD1 C 13 25.018 0.000 . 2 1 . . . 144 L CD1 . 16912 1 1816 . 1 1 143 143 LEU CD2 C 13 23.370 0.000 . 2 1 . . . 144 L CD2 . 16912 1 1817 . 1 1 143 143 LEU CG C 13 26.963 0.000 . 1 1 . . . 144 L CG . 16912 1 1818 . 1 1 143 143 LEU N N 15 123.121 0.007 . 1 8 . . . 144 L N . 16912 1 1819 . 1 1 144 144 ASP H H 1 8.367 0.000 . 1 2 . . . 145 D H . 16912 1 1820 . 1 1 144 144 ASP HA H 1 4.598 0.000 . 1 1 . . . 145 D HA . 16912 1 1821 . 1 1 144 144 ASP HB2 H 1 2.715 0.000 . 2 1 . . . 145 D HB2 . 16912 1 1822 . 1 1 144 144 ASP HB3 H 1 2.564 0.000 . 2 1 . . . 145 D HB3 . 16912 1 1823 . 1 1 144 144 ASP C C 13 176.001 0.003 . 1 5 . . . 145 D C . 16912 1 1824 . 1 1 144 144 ASP CA C 13 54.253 0.015 . 1 3 . . . 145 D CA . 16912 1 1825 . 1 1 144 144 ASP CB C 13 41.073 0.019 . 1 4 . . . 145 D CB . 16912 1 1826 . 1 1 144 144 ASP N N 15 121.786 0.030 . 1 6 . . . 145 D N . 16912 1 1827 . 1 1 145 145 GLU H H 1 8.311 0.000 . 1 2 . . . 146 E H . 16912 1 1828 . 1 1 145 145 GLU HA H 1 4.293 0.003 . 1 2 . . . 146 E HA . 16912 1 1829 . 1 1 145 145 GLU HB2 H 1 2.039 0.000 . 2 1 . . . 146 E HB2 . 16912 1 1830 . 1 1 145 145 GLU HB3 H 1 1.877 0.000 . 2 1 . . . 146 E HB3 . 16912 1 1831 . 1 1 145 145 GLU HG2 H 1 2.241 0.000 . 2 1 . . . 146 E QG . 16912 1 1832 . 1 1 145 145 GLU HG3 H 1 2.241 0.000 . 2 1 . . . 146 E QG . 16912 1 1833 . 1 1 145 145 GLU C C 13 176.024 0.003 . 1 5 . . . 146 E C . 16912 1 1834 . 1 1 145 145 GLU CA C 13 56.202 0.062 . 1 4 . . . 146 E CA . 16912 1 1835 . 1 1 145 145 GLU CB C 13 30.461 0.135 . 1 4 . . . 146 E CB . 16912 1 1836 . 1 1 145 145 GLU CG C 13 35.818 0.000 . 1 1 . . . 146 E CG . 16912 1 1837 . 1 1 145 145 GLU N N 15 121.501 0.007 . 1 6 . . . 146 E N . 16912 1 1838 . 1 1 146 146 ASP H H 1 8.408 0.000 . 1 2 . . . 147 D H . 16912 1 1839 . 1 1 146 146 ASP HA H 1 4.600 0.000 . 1 1 . . . 147 D HA . 16912 1 1840 . 1 1 146 146 ASP HB2 H 1 2.706 0.000 . 2 1 . . . 147 D HB2 . 16912 1 1841 . 1 1 146 146 ASP HB3 H 1 2.586 0.000 . 2 1 . . . 147 D HB3 . 16912 1 1842 . 1 1 146 146 ASP C C 13 175.857 0.002 . 1 3 . . . 147 D C . 16912 1 1843 . 1 1 146 146 ASP CA C 13 54.138 0.121 . 1 2 . . . 147 D CA . 16912 1 1844 . 1 1 146 146 ASP CB C 13 41.267 0.018 . 1 3 . . . 147 D CB . 16912 1 1845 . 1 1 146 146 ASP N N 15 121.906 0.015 . 1 6 . . . 147 D N . 16912 1 1846 . 1 1 147 147 ASP H H 1 8.320 0.002 . 1 2 . . . 148 D H . 16912 1 1847 . 1 1 147 147 ASP HA H 1 4.591 0.000 . 1 1 . . . 148 D HA . 16912 1 1848 . 1 1 147 147 ASP HB2 H 1 2.687 0.000 . 2 1 . . . 148 D HB2 . 16912 1 1849 . 1 1 147 147 ASP HB3 H 1 2.608 0.000 . 2 1 . . . 148 D HB3 . 16912 1 1850 . 1 1 147 147 ASP C C 13 176.010 0.004 . 1 5 . . . 148 D C . 16912 1 1851 . 1 1 147 147 ASP CA C 13 54.218 0.022 . 1 2 . . . 148 D CA . 16912 1 1852 . 1 1 147 147 ASP CB C 13 41.123 0.084 . 1 3 . . . 148 D CB . 16912 1 1853 . 1 1 147 147 ASP N N 15 121.368 0.023 . 1 4 . . . 148 D N . 16912 1 1854 . 1 1 148 148 ASP H H 1 8.323 0.001 . 1 2 . . . 149 D H . 16912 1 1855 . 1 1 148 148 ASP HA H 1 4.565 0.000 . 1 1 . . . 149 D HA . 16912 1 1856 . 1 1 148 148 ASP HB2 H 1 2.628 0.000 . 2 1 . . . 149 D QB . 16912 1 1857 . 1 1 148 148 ASP HB3 H 1 2.628 0.000 . 2 1 . . . 149 D QB . 16912 1 1858 . 1 1 148 148 ASP C C 13 175.983 0.008 . 1 5 . . . 149 D C . 16912 1 1859 . 1 1 148 148 ASP CA C 13 54.385 0.141 . 1 2 . . . 149 D CA . 16912 1 1860 . 1 1 148 148 ASP CB C 13 41.167 0.025 . 1 2 . . . 149 D CB . 16912 1 1861 . 1 1 148 148 ASP N N 15 121.116 0.007 . 1 6 . . . 149 D N . 16912 1 1862 . 1 1 149 149 ASP H H 1 8.308 0.003 . 1 2 . . . 150 D H . 16912 1 1863 . 1 1 149 149 ASP HA H 1 4.589 0.000 . 1 1 . . . 150 D HA . 16912 1 1864 . 1 1 149 149 ASP HB2 H 1 2.716 0.000 . 2 1 . . . 150 D HB2 . 16912 1 1865 . 1 1 149 149 ASP HB3 H 1 2.583 0.000 . 2 1 . . . 150 D HB3 . 16912 1 1866 . 1 1 149 149 ASP C C 13 175.989 0.006 . 1 5 . . . 150 D C . 16912 1 1867 . 1 1 149 149 ASP CA C 13 54.225 0.021 . 1 2 . . . 150 D CA . 16912 1 1868 . 1 1 149 149 ASP CB C 13 40.896 0.019 . 1 3 . . . 150 D CB . 16912 1 1869 . 1 1 149 149 ASP N N 15 120.680 0.013 . 1 6 . . . 150 D N . 16912 1 1870 . 1 1 150 150 LEU H H 1 8.043 0.002 . 1 2 . . . 151 L H . 16912 1 1871 . 1 1 150 150 LEU HA H 1 4.284 0.000 . 1 1 . . . 151 L HA . 16912 1 1872 . 1 1 150 150 LEU HB2 H 1 1.584 0.002 . 2 2 . . . 151 L QB . 16912 1 1873 . 1 1 150 150 LEU HB3 H 1 1.584 0.002 . 2 2 . . . 151 L QB . 16912 1 1874 . 1 1 150 150 LEU HD11 H 1 0.900 0.000 . 2 1 . . . 151 L HD1# . 16912 1 1875 . 1 1 150 150 LEU HD12 H 1 0.900 0.000 . 2 1 . . . 151 L HD1# . 16912 1 1876 . 1 1 150 150 LEU HD13 H 1 0.900 0.000 . 2 1 . . . 151 L HD1# . 16912 1 1877 . 1 1 150 150 LEU HD21 H 1 0.844 0.000 . 2 1 . . . 151 L HD2# . 16912 1 1878 . 1 1 150 150 LEU HD22 H 1 0.844 0.000 . 2 1 . . . 151 L HD2# . 16912 1 1879 . 1 1 150 150 LEU HD23 H 1 0.844 0.000 . 2 1 . . . 151 L HD2# . 16912 1 1880 . 1 1 150 150 LEU HG H 1 1.566 0.000 . 1 1 . . . 151 L HG . 16912 1 1881 . 1 1 150 150 LEU C C 13 177.259 0.003 . 1 6 . . . 151 L C . 16912 1 1882 . 1 1 150 150 LEU CA C 13 55.209 0.062 . 1 3 . . . 151 L CA . 16912 1 1883 . 1 1 150 150 LEU CB C 13 42.533 0.042 . 1 4 . . . 151 L CB . 16912 1 1884 . 1 1 150 150 LEU CD1 C 13 24.922 0.000 . 2 1 . . . 151 L CD1 . 16912 1 1885 . 1 1 150 150 LEU CD2 C 13 23.639 0.000 . 2 1 . . . 151 L CD2 . 16912 1 1886 . 1 1 150 150 LEU CG C 13 26.930 0.000 . 1 1 . . . 151 L CG . 16912 1 1887 . 1 1 150 150 LEU N N 15 122.351 0.008 . 1 6 . . . 151 L N . 16912 1 1888 . 1 1 151 151 GLU H H 1 8.345 0.001 . 1 2 . . . 152 E H . 16912 1 1889 . 1 1 151 151 GLU HA H 1 4.290 0.002 . 1 2 . . . 152 E HA . 16912 1 1890 . 1 1 151 151 GLU HB2 H 1 1.949 0.000 . 2 1 . . . 152 E QB . 16912 1 1891 . 1 1 151 151 GLU HB3 H 1 1.949 0.000 . 2 1 . . . 152 E QB . 16912 1 1892 . 1 1 151 151 GLU HG2 H 1 2.227 0.000 . 2 1 . . . 152 E QG . 16912 1 1893 . 1 1 151 151 GLU HG3 H 1 2.227 0.000 . 2 1 . . . 152 E QG . 16912 1 1894 . 1 1 151 151 GLU C C 13 176.022 0.003 . 1 3 . . . 152 E C . 16912 1 1895 . 1 1 151 151 GLU CA C 13 56.172 0.119 . 1 3 . . . 152 E CA . 16912 1 1896 . 1 1 151 151 GLU CB C 13 30.044 0.030 . 1 2 . . . 152 E CB . 16912 1 1897 . 1 1 151 151 GLU CG C 13 35.858 0.000 . 1 1 . . . 152 E CG . 16912 1 1898 . 1 1 151 151 GLU N N 15 122.509 0.007 . 1 7 . . . 152 E N . 16912 1 1899 . 1 1 152 152 ILE H H 1 8.157 0.001 . 1 2 . . . 153 I H . 16912 1 1900 . 1 1 152 152 ILE HA H 1 4.152 0.000 . 1 1 . . . 153 I HA . 16912 1 1901 . 1 1 152 152 ILE HB H 1 1.815 0.000 . 1 1 . . . 153 I HB . 16912 1 1902 . 1 1 152 152 ILE HD11 H 1 0.833 0.000 . . 1 . . . 153 I HD1# . 16912 1 1903 . 1 1 152 152 ILE HD12 H 1 0.833 0.000 . . 1 . . . 153 I HD1# . 16912 1 1904 . 1 1 152 152 ILE HD13 H 1 0.833 0.000 . . 1 . . . 153 I HD1# . 16912 1 1905 . 1 1 152 152 ILE HG12 H 1 1.426 0.000 . 2 1 . . . 153 I HG12 . 16912 1 1906 . 1 1 152 152 ILE HG13 H 1 1.146 0.000 . 2 1 . . . 153 I HG13 . 16912 1 1907 . 1 1 152 152 ILE HG21 H 1 0.862 0.000 . . 1 . . . 153 I HG2# . 16912 1 1908 . 1 1 152 152 ILE HG22 H 1 0.862 0.000 . . 1 . . . 153 I HG2# . 16912 1 1909 . 1 1 152 152 ILE HG23 H 1 0.862 0.000 . . 1 . . . 153 I HG2# . 16912 1 1910 . 1 1 152 152 ILE C C 13 176.058 0.006 . 1 3 . . . 153 I C . 16912 1 1911 . 1 1 152 152 ILE CA C 13 60.796 0.057 . 1 2 . . . 153 I CA . 16912 1 1912 . 1 1 152 152 ILE CB C 13 38.973 0.089 . 1 2 . . . 153 I CB . 16912 1 1913 . 1 1 152 152 ILE CD1 C 13 12.761 0.000 . 1 1 . . . 153 I CD1 . 16912 1 1914 . 1 1 152 152 ILE CG1 C 13 27.096 0.032 . 1 2 . . . 153 I CG1 . 16912 1 1915 . 1 1 152 152 ILE CG2 C 13 17.528 0.000 . 1 1 . . . 153 I CG2 . 16912 1 1916 . 1 1 152 152 ILE N N 15 122.733 0.011 . 1 4 . . . 153 I N . 16912 1 1917 . 1 1 153 153 GLU H H 1 8.476 0.006 . 1 2 . . . 154 E H . 16912 1 1918 . 1 1 153 153 GLU HA H 1 4.313 0.003 . 1 2 . . . 154 E HA . 16912 1 1919 . 1 1 153 153 GLU HB2 H 1 1.991 0.000 . 2 1 . . . 154 E HB2 . 16912 1 1920 . 1 1 153 153 GLU HB3 H 1 1.902 0.000 . 2 1 . . . 154 E HB3 . 16912 1 1921 . 1 1 153 153 GLU HG2 H 1 2.251 0.000 . 2 1 . . . 154 E QG . 16912 1 1922 . 1 1 153 153 GLU HG3 H 1 2.251 0.000 . 2 1 . . . 154 E QG . 16912 1 1923 . 1 1 153 153 GLU C C 13 176.072 0.006 . 1 7 . . . 154 E C . 16912 1 1924 . 1 1 153 153 GLU CA C 13 56.286 0.080 . 1 4 . . . 154 E CA . 16912 1 1925 . 1 1 153 153 GLU CB C 13 30.403 0.047 . 1 4 . . . 154 E CB . 16912 1 1926 . 1 1 153 153 GLU CG C 13 35.929 0.000 . 1 1 . . . 154 E CG . 16912 1 1927 . 1 1 153 153 GLU N N 15 126.025 0.082 . 1 4 . . . 154 E N . 16912 1 1928 . 1 1 154 154 GLU H H 1 8.425 0.001 . 1 2 . . . 155 E H . 16912 1 1929 . 1 1 154 154 GLU HA H 1 4.272 0.001 . 1 2 . . . 155 E HA . 16912 1 1930 . 1 1 154 154 GLU HB2 H 1 2.005 0.000 . 2 1 . . . 155 E HB2 . 16912 1 1931 . 1 1 154 154 GLU HB3 H 1 1.873 0.000 . 2 1 . . . 155 E HB3 . 16912 1 1932 . 1 1 154 154 GLU HG2 H 1 2.233 0.000 . 2 1 . . . 155 E QG . 16912 1 1933 . 1 1 154 154 GLU HG3 H 1 2.233 0.000 . 2 1 . . . 155 E QG . 16912 1 1934 . 1 1 154 154 GLU C C 13 175.858 0.006 . 1 7 . . . 155 E C . 16912 1 1935 . 1 1 154 154 GLU CA C 13 56.235 0.055 . 1 4 . . . 155 E CA . 16912 1 1936 . 1 1 154 154 GLU CB C 13 30.887 0.031 . 1 4 . . . 155 E CB . 16912 1 1937 . 1 1 154 154 GLU CG C 13 36.018 0.000 . 1 1 . . . 155 E CG . 16912 1 1938 . 1 1 154 154 GLU N N 15 122.904 0.026 . 1 8 . . . 155 E N . 16912 1 1939 . 1 1 155 155 ASP H H 1 8.436 0.001 . 1 2 . . . 156 D H . 16912 1 1940 . 1 1 155 155 ASP HA H 1 4.588 0.000 . 1 1 . . . 156 D HA . 16912 1 1941 . 1 1 155 155 ASP HB2 H 1 2.621 0.000 . 2 1 . . . 156 D HB2 . 16912 1 1942 . 1 1 155 155 ASP HB3 H 1 2.554 0.000 . 2 1 . . . 156 D HB3 . 16912 1 1943 . 1 1 155 155 ASP C C 13 175.705 0.007 . 1 7 . . . 156 D C . 16912 1 1944 . 1 1 155 155 ASP CA C 13 54.175 0.074 . 1 3 . . . 156 D CA . 16912 1 1945 . 1 1 155 155 ASP CB C 13 41.124 0.065 . 1 4 . . . 156 D CB . 16912 1 1946 . 1 1 155 155 ASP N N 15 122.353 0.026 . 1 8 . . . 156 D N . 16912 1 1947 . 1 1 156 156 ILE H H 1 8.156 0.008 . 1 2 . . . 157 I H . 16912 1 1948 . 1 1 156 156 ILE HA H 1 4.136 0.000 . 1 1 . . . 157 I HA . 16912 1 1949 . 1 1 156 156 ILE HB H 1 1.814 0.000 . 1 1 . . . 157 I HB . 16912 1 1950 . 1 1 156 156 ILE HD11 H 1 0.828 0.000 . . 1 . . . 157 I HD1# . 16912 1 1951 . 1 1 156 156 ILE HD12 H 1 0.828 0.000 . . 1 . . . 157 I HD1# . 16912 1 1952 . 1 1 156 156 ILE HD13 H 1 0.828 0.000 . . 1 . . . 157 I HD1# . 16912 1 1953 . 1 1 156 156 ILE HG12 H 1 1.440 0.000 . 2 1 . . . 157 I HG12 . 16912 1 1954 . 1 1 156 156 ILE HG13 H 1 1.160 0.000 . 2 1 . . . 157 I HG13 . 16912 1 1955 . 1 1 156 156 ILE HG21 H 1 0.840 0.000 . . 1 . . . 157 I HG2# . 16912 1 1956 . 1 1 156 156 ILE HG22 H 1 0.840 0.000 . . 1 . . . 157 I HG2# . 16912 1 1957 . 1 1 156 156 ILE HG23 H 1 0.840 0.000 . . 1 . . . 157 I HG2# . 16912 1 1958 . 1 1 156 156 ILE C C 13 176.048 0.002 . 1 7 . . . 157 I C . 16912 1 1959 . 1 1 156 156 ILE CA C 13 60.959 0.030 . 1 3 . . . 157 I CA . 16912 1 1960 . 1 1 156 156 ILE CB C 13 38.605 0.107 . 1 3 . . . 157 I CB . 16912 1 1961 . 1 1 156 156 ILE CD1 C 13 12.691 0.000 . 1 1 . . . 157 I CD1 . 16912 1 1962 . 1 1 156 156 ILE CG1 C 13 27.163 0.005 . 1 2 . . . 157 I CG1 . 16912 1 1963 . 1 1 156 156 ILE CG2 C 13 17.558 0.000 . 1 1 . . . 157 I CG2 . 16912 1 1964 . 1 1 156 156 ILE N N 15 122.016 0.042 . 1 8 . . . 157 I N . 16912 1 1965 . 1 1 157 157 ILE H H 1 8.258 0.001 . 1 2 . . . 158 I H . 16912 1 1966 . 1 1 157 157 ILE HA H 1 4.171 0.000 . 1 1 . . . 158 I HA . 16912 1 1967 . 1 1 157 157 ILE HB H 1 1.822 0.000 . 1 1 . . . 158 I HB . 16912 1 1968 . 1 1 157 157 ILE HD11 H 1 0.816 0.000 . . 1 . . . 158 I HD1# . 16912 1 1969 . 1 1 157 157 ILE HD12 H 1 0.816 0.000 . . 1 . . . 158 I HD1# . 16912 1 1970 . 1 1 157 157 ILE HD13 H 1 0.816 0.000 . . 1 . . . 158 I HD1# . 16912 1 1971 . 1 1 157 157 ILE HG12 H 1 1.410 0.000 . 2 1 . . . 158 I HG12 . 16912 1 1972 . 1 1 157 157 ILE HG13 H 1 1.140 0.000 . 2 1 . . . 158 I HG13 . 16912 1 1973 . 1 1 157 157 ILE HG21 H 1 0.855 0.000 . . 1 . . . 158 I HG2# . 16912 1 1974 . 1 1 157 157 ILE HG22 H 1 0.855 0.000 . . 1 . . . 158 I HG2# . 16912 1 1975 . 1 1 157 157 ILE HG23 H 1 0.855 0.000 . . 1 . . . 158 I HG2# . 16912 1 1976 . 1 1 157 157 ILE C C 13 175.620 0.002 . 1 7 . . . 158 I C . 16912 1 1977 . 1 1 157 157 ILE CA C 13 60.621 0.091 . 1 3 . . . 158 I CA . 16912 1 1978 . 1 1 157 157 ILE CB C 13 38.814 0.099 . 1 3 . . . 158 I CB . 16912 1 1979 . 1 1 157 157 ILE CD1 C 13 12.640 0.000 . 1 1 . . . 158 I CD1 . 16912 1 1980 . 1 1 157 157 ILE CG1 C 13 27.101 0.027 . 1 2 . . . 158 I CG1 . 16912 1 1981 . 1 1 157 157 ILE CG2 C 13 17.487 0.000 . 1 1 . . . 158 I CG2 . 16912 1 1982 . 1 1 157 157 ILE N N 15 126.220 0.034 . 1 8 . . . 158 I N . 16912 1 1983 . 1 1 158 158 ASP H H 1 8.439 0.003 . 1 2 . . . 159 D H . 16912 1 1984 . 1 1 158 158 ASP HA H 1 4.620 0.000 . 1 1 . . . 159 D HA . 16912 1 1985 . 1 1 158 158 ASP HB2 H 1 2.700 0.000 . 2 1 . . . 159 D HB2 . 16912 1 1986 . 1 1 158 158 ASP HB3 H 1 2.538 0.000 . 2 1 . . . 159 D HB3 . 16912 1 1987 . 1 1 158 158 ASP C C 13 175.892 0.005 . 1 7 . . . 159 D C . 16912 1 1988 . 1 1 158 158 ASP CA C 13 54.100 0.033 . 1 2 . . . 159 D CA . 16912 1 1989 . 1 1 158 158 ASP CB C 13 41.321 0.032 . 1 4 . . . 159 D CB . 16912 1 1990 . 1 1 158 158 ASP N N 15 125.723 0.092 . 1 8 . . . 159 D N . 16912 1 1991 . 1 1 159 159 GLU H H 1 8.385 0.001 . 1 2 . . . 160 E H . 16912 1 1992 . 1 1 159 159 GLU HA H 1 4.275 0.002 . 1 2 . . . 160 E HA . 16912 1 1993 . 1 1 159 159 GLU HB2 H 1 2.039 0.000 . 2 1 . . . 160 E HB2 . 16912 1 1994 . 1 1 159 159 GLU HB3 H 1 1.876 0.000 . 2 1 . . . 160 E HB3 . 16912 1 1995 . 1 1 159 159 GLU HG2 H 1 2.240 0.000 . 2 1 . . . 160 E QG . 16912 1 1996 . 1 1 159 159 GLU HG3 H 1 2.240 0.000 . 2 1 . . . 160 E QG . 16912 1 1997 . 1 1 159 159 GLU C C 13 176.003 0.005 . 1 7 . . . 160 E C . 16912 1 1998 . 1 1 159 159 GLU CA C 13 56.559 0.211 . 1 4 . . . 160 E CA . 16912 1 1999 . 1 1 159 159 GLU CB C 13 30.548 0.065 . 1 4 . . . 160 E CB . 16912 1 2000 . 1 1 159 159 GLU CG C 13 35.863 0.000 . 1 1 . . . 160 E CG . 16912 1 2001 . 1 1 159 159 GLU N N 15 122.221 0.022 . 1 8 . . . 160 E N . 16912 1 2002 . 1 1 160 160 ASP H H 1 8.417 0.000 . 1 2 . . . 161 D H . 16912 1 2003 . 1 1 160 160 ASP HA H 1 4.607 0.000 . 1 1 . . . 161 D HA . 16912 1 2004 . 1 1 160 160 ASP HB2 H 1 2.707 0.000 . 2 1 . . . 161 D HB2 . 16912 1 2005 . 1 1 160 160 ASP HB3 H 1 2.597 0.000 . 2 1 . . . 161 D HB3 . 16912 1 2006 . 1 1 160 160 ASP C C 13 175.854 0.003 . 1 3 . . . 161 D C . 16912 1 2007 . 1 1 160 160 ASP CA C 13 54.282 0.020 . 1 2 . . . 161 D CA . 16912 1 2008 . 1 1 160 160 ASP CB C 13 41.194 0.032 . 1 3 . . . 161 D CB . 16912 1 2009 . 1 1 160 160 ASP N N 15 121.726 0.013 . 1 8 . . . 161 D N . 16912 1 2010 . 1 1 161 161 ASP H H 1 8.284 0.002 . 1 2 . . . 162 D H . 16912 1 2011 . 1 1 161 161 ASP HA H 1 4.591 0.000 . 1 1 . . . 162 D HA . 16912 1 2012 . 1 1 161 161 ASP HB2 H 1 2.639 0.000 . 2 1 . . . 162 D QB . 16912 1 2013 . 1 1 161 161 ASP HB3 H 1 2.639 0.000 . 2 1 . . . 162 D QB . 16912 1 2014 . 1 1 161 161 ASP C C 13 176.160 0.002 . 1 5 . . . 162 D C . 16912 1 2015 . 1 1 161 161 ASP CA C 13 54.248 0.022 . 1 2 . . . 162 D CA . 16912 1 2016 . 1 1 161 161 ASP CB C 13 41.199 0.009 . 1 2 . . . 162 D CB . 16912 1 2017 . 1 1 161 161 ASP N N 15 121.406 0.024 . 1 4 . . . 162 D N . 16912 1 2018 . 1 1 162 162 GLU H H 1 8.267 0.000 . 1 2 . . . 163 E H . 16912 1 2019 . 1 1 162 162 GLU HA H 1 4.201 0.001 . 1 2 . . . 163 E HA . 16912 1 2020 . 1 1 162 162 GLU HB2 H 1 1.885 0.000 . 2 1 . . . 163 E QB . 16912 1 2021 . 1 1 162 162 GLU HB3 H 1 1.885 0.000 . 2 1 . . . 163 E QB . 16912 1 2022 . 1 1 162 162 GLU HG2 H 1 2.198 0.000 . 2 1 . . . 163 E QG . 16912 1 2023 . 1 1 162 162 GLU HG3 H 1 2.198 0.000 . 2 1 . . . 163 E QG . 16912 1 2024 . 1 1 162 162 GLU C C 13 175.765 0.004 . 1 5 . . . 163 E C . 16912 1 2025 . 1 1 162 162 GLU CA C 13 56.529 0.137 . 1 4 . . . 163 E CA . 16912 1 2026 . 1 1 162 162 GLU CB C 13 30.327 0.022 . 1 3 . . . 163 E CB . 16912 1 2027 . 1 1 162 162 GLU CG C 13 35.736 0.000 . 1 1 . . . 163 E CG . 16912 1 2028 . 1 1 162 162 GLU N N 15 121.198 0.025 . 1 6 . . . 163 E N . 16912 1 2029 . 1 1 163 163 ASP H H 1 8.266 0.000 . 1 2 . . . 164 D H . 16912 1 2030 . 1 1 163 163 ASP HA H 1 4.587 0.000 . 1 1 . . . 164 D HA . 16912 1 2031 . 1 1 163 163 ASP HB2 H 1 2.637 0.000 . 2 1 . . . 164 D HB2 . 16912 1 2032 . 1 1 163 163 ASP HB3 H 1 2.508 0.000 . 2 1 . . . 164 D HB3 . 16912 1 2033 . 1 1 163 163 ASP C C 13 175.567 0.003 . 1 6 . . . 164 D C . 16912 1 2034 . 1 1 163 163 ASP CA C 13 53.827 0.063 . 1 3 . . . 164 D CA . 16912 1 2035 . 1 1 163 163 ASP CB C 13 41.141 0.037 . 1 3 . . . 164 D CB . 16912 1 2036 . 1 1 163 163 ASP N N 15 121.407 0.011 . 1 6 . . . 164 D N . 16912 1 2037 . 1 1 164 164 TYR H H 1 8.069 0.005 . 1 2 . . . 165 Y H . 16912 1 2038 . 1 1 164 164 TYR HA H 1 4.548 0.000 . 1 1 . . . 165 Y HA . 16912 1 2039 . 1 1 164 164 TYR HB2 H 1 3.034 0.000 . 2 1 . . . 165 Y HB2 . 16912 1 2040 . 1 1 164 164 TYR HB3 H 1 2.893 0.000 . 2 1 . . . 165 Y HB3 . 16912 1 2041 . 1 1 164 164 TYR C C 13 175.364 0.002 . 1 5 . . . 165 Y C . 16912 1 2042 . 1 1 164 164 TYR CA C 13 57.727 0.032 . 1 3 . . . 165 Y CA . 16912 1 2043 . 1 1 164 164 TYR CB C 13 39.054 0.032 . 1 4 . . . 165 Y CB . 16912 1 2044 . 1 1 164 164 TYR N N 15 121.215 0.020 . 1 7 . . . 165 Y N . 16912 1 2045 . 1 1 165 165 ASP H H 1 8.280 0.002 . 1 2 . . . 166 D H . 16912 1 2046 . 1 1 165 165 ASP HA H 1 4.596 0.000 . 1 1 . . . 166 D HA . 16912 1 2047 . 1 1 165 165 ASP HB2 H 1 2.664 0.000 . 2 1 . . . 166 D HB2 . 16912 1 2048 . 1 1 165 165 ASP HB3 H 1 2.554 0.000 . 2 1 . . . 166 D HB3 . 16912 1 2049 . 1 1 165 165 ASP C C 13 175.509 0.004 . 1 5 . . . 166 D C . 16912 1 2050 . 1 1 165 165 ASP CA C 13 54.020 0.011 . 1 2 . . . 166 D CA . 16912 1 2051 . 1 1 165 165 ASP CB C 13 41.315 0.021 . 1 3 . . . 166 D CB . 16912 1 2052 . 1 1 165 165 ASP N N 15 122.778 0.016 . 1 6 . . . 166 D N . 16912 1 2053 . 1 1 166 166 ASP H H 1 8.218 0.002 . 1 2 . . . 167 D H . 16912 1 2054 . 1 1 166 166 ASP HA H 1 4.557 0.000 . 1 1 . . . 167 D HA . 16912 1 2055 . 1 1 166 166 ASP HB2 H 1 2.644 0.000 . 2 1 . . . 167 D QB . 16912 1 2056 . 1 1 166 166 ASP HB3 H 1 2.644 0.000 . 2 1 . . . 167 D QB . 16912 1 2057 . 1 1 166 166 ASP C C 13 176.233 0.004 . 1 5 . . . 167 D C . 16912 1 2058 . 1 1 166 166 ASP CA C 13 54.258 0.058 . 1 2 . . . 167 D CA . 16912 1 2059 . 1 1 166 166 ASP CB C 13 41.175 0.022 . 1 2 . . . 167 D CB . 16912 1 2060 . 1 1 166 166 ASP N N 15 121.556 0.036 . 1 6 . . . 167 D N . 16912 1 2061 . 1 1 167 167 GLU H H 1 8.325 0.000 . 1 2 . . . 168 E H . 16912 1 2062 . 1 1 167 167 GLU HA H 1 4.252 0.001 . 1 2 . . . 168 E HA . 16912 1 2063 . 1 1 167 167 GLU HB2 H 1 2.045 0.000 . 2 1 . . . 168 E HB2 . 16912 1 2064 . 1 1 167 167 GLU HB3 H 1 1.931 0.000 . 2 1 . . . 168 E HB3 . 16912 1 2065 . 1 1 167 167 GLU HG2 H 1 2.260 0.000 . 2 1 . . . 168 E QG . 16912 1 2066 . 1 1 167 167 GLU HG3 H 1 2.260 0.000 . 2 1 . . . 168 E QG . 16912 1 2067 . 1 1 167 167 GLU C C 13 176.534 0.003 . 1 5 . . . 168 E C . 16912 1 2068 . 1 1 167 167 GLU CA C 13 56.602 0.075 . 1 3 . . . 168 E CA . 16912 1 2069 . 1 1 167 167 GLU CB C 13 30.205 0.064 . 1 3 . . . 168 E CB . 16912 1 2070 . 1 1 167 167 GLU CG C 13 35.912 0.000 . 1 1 . . . 168 E CG . 16912 1 2071 . 1 1 167 167 GLU N N 15 121.133 0.023 . 1 6 . . . 168 E N . 16912 1 2072 . 1 1 168 168 GLU H H 1 8.344 0.001 . 1 2 . . . 169 E H . 16912 1 2073 . 1 1 168 168 GLU HA H 1 4.249 0.001 . 1 2 . . . 169 E HA . 16912 1 2074 . 1 1 168 168 GLU HB2 H 1 2.008 0.000 . 2 1 . . . 169 E HB2 . 16912 1 2075 . 1 1 168 168 GLU HB3 H 1 1.934 0.000 . 2 1 . . . 169 E HB3 . 16912 1 2076 . 1 1 168 168 GLU HG2 H 1 2.255 0.000 . 2 1 . . . 169 E QG . 16912 1 2077 . 1 1 168 168 GLU HG3 H 1 2.255 0.000 . 2 1 . . . 169 E QG . 16912 1 2078 . 1 1 168 168 GLU C C 13 176.404 0.001 . 1 3 . . . 169 E C . 16912 1 2079 . 1 1 168 168 GLU CA C 13 56.507 0.060 . 1 3 . . . 169 E CA . 16912 1 2080 . 1 1 168 168 GLU CB C 13 30.339 0.042 . 1 3 . . . 169 E CB . 16912 1 2081 . 1 1 168 168 GLU CG C 13 35.973 0.000 . 1 1 . . . 169 E CG . 16912 1 2082 . 1 1 168 168 GLU N N 15 121.871 0.004 . 1 6 . . . 169 E N . 16912 1 2083 . 1 1 169 169 GLU H H 1 8.345 0.001 . 1 2 . . . 170 E H . 16912 1 2084 . 1 1 169 169 GLU HA H 1 4.238 0.001 . 1 2 . . . 170 E HA . 16912 1 2085 . 1 1 169 169 GLU HB2 H 1 1.989 0.000 . 2 1 . . . 170 E HB2 . 16912 1 2086 . 1 1 169 169 GLU HB3 H 1 1.925 0.000 . 2 1 . . . 170 E HB3 . 16912 1 2087 . 1 1 169 169 GLU HG2 H 1 2.247 0.000 . 2 1 . . . 170 E QG . 16912 1 2088 . 1 1 169 169 GLU HG3 H 1 2.247 0.000 . 2 1 . . . 170 E QG . 16912 1 2089 . 1 1 169 169 GLU C C 13 176.233 0.005 . 1 5 . . . 170 E C . 16912 1 2090 . 1 1 169 169 GLU CA C 13 56.463 0.042 . 1 3 . . . 170 E CA . 16912 1 2091 . 1 1 169 169 GLU CB C 13 30.519 0.091 . 1 3 . . . 170 E CB . 16912 1 2092 . 1 1 169 169 GLU CG C 13 35.982 0.000 . 1 1 . . . 170 E CG . 16912 1 2093 . 1 1 169 169 GLU N N 15 122.300 0.023 . 1 4 . . . 170 E N . 16912 1 2094 . 1 1 170 170 GLU H H 1 8.394 0.001 . 1 2 . . . 171 E H . 16912 1 2095 . 1 1 170 170 GLU HA H 1 4.255 0.003 . 1 2 . . . 171 E HA . 16912 1 2096 . 1 1 170 170 GLU HB2 H 1 1.941 0.000 . 2 1 . . . 171 E QB . 16912 1 2097 . 1 1 170 170 GLU HB3 H 1 1.941 0.000 . 2 1 . . . 171 E QB . 16912 1 2098 . 1 1 170 170 GLU HG2 H 1 2.177 0.000 . 2 1 . . . 171 E HG2 . 16912 1 2099 . 1 1 170 170 GLU HG3 H 1 2.255 0.000 . 2 1 . . . 171 E HG3 . 16912 1 2100 . 1 1 170 170 GLU C C 13 176.044 0.002 . 1 7 . . . 171 E C . 16912 1 2101 . 1 1 170 170 GLU CA C 13 56.434 0.040 . 1 4 . . . 171 E CA . 16912 1 2102 . 1 1 170 170 GLU CB C 13 30.480 0.040 . 1 3 . . . 171 E CB . 16912 1 2103 . 1 1 170 170 GLU CG C 13 36.040 0.000 . 1 2 . . . 171 E CG . 16912 1 2104 . 1 1 170 170 GLU N N 15 122.846 0.004 . 1 6 . . . 171 E N . 16912 1 2105 . 1 1 171 171 ILE H H 1 8.263 0.001 . 1 2 . . . 172 I H . 16912 1 2106 . 1 1 171 171 ILE HA H 1 4.115 0.000 . 1 1 . . . 172 I HA . 16912 1 2107 . 1 1 171 171 ILE HB H 1 1.844 0.000 . 1 1 . . . 172 I HB . 16912 1 2108 . 1 1 171 171 ILE HD11 H 1 0.831 0.000 . . 1 . . . 172 I HD1# . 16912 1 2109 . 1 1 171 171 ILE HD12 H 1 0.831 0.000 . . 1 . . . 172 I HD1# . 16912 1 2110 . 1 1 171 171 ILE HD13 H 1 0.831 0.000 . . 1 . . . 172 I HD1# . 16912 1 2111 . 1 1 171 171 ILE HG12 H 1 1.482 0.000 . 2 1 . . . 172 I HG12 . 16912 1 2112 . 1 1 171 171 ILE HG13 H 1 1.178 0.000 . 2 1 . . . 172 I HG13 . 16912 1 2113 . 1 1 171 171 ILE HG21 H 1 0.886 0.000 . . 1 . . . 172 I HG2# . 16912 1 2114 . 1 1 171 171 ILE HG22 H 1 0.886 0.000 . . 1 . . . 172 I HG2# . 16912 1 2115 . 1 1 171 171 ILE HG23 H 1 0.886 0.000 . . 1 . . . 172 I HG2# . 16912 1 2116 . 1 1 171 171 ILE C C 13 175.367 0.004 . 1 6 . . . 172 I C . 16912 1 2117 . 1 1 171 171 ILE CA C 13 61.236 0.044 . 1 3 . . . 172 I CA . 16912 1 2118 . 1 1 171 171 ILE CB C 13 38.174 0.050 . 1 3 . . . 172 I CB . 16912 1 2119 . 1 1 171 171 ILE CD1 C 13 12.514 0.000 . 1 1 . . . 172 I CD1 . 16912 1 2120 . 1 1 171 171 ILE CG1 C 13 27.209 0.002 . 1 2 . . . 172 I CG1 . 16912 1 2121 . 1 1 171 171 ILE CG2 C 13 17.465 0.000 . 1 1 . . . 172 I CG2 . 16912 1 2122 . 1 1 171 171 ILE N N 15 124.073 0.012 . 1 8 . . . 172 I N . 16912 1 2123 . 1 1 172 172 LYS H H 1 7.966 0.003 . 1 2 . . . 173 K H . 16912 1 2124 . 1 1 172 172 LYS CA C 13 57.493 0.000 . 1 1 . . . 173 K CA . 16912 1 2125 . 1 1 172 172 LYS CB C 13 33.900 0.000 . 1 1 . . . 173 K CB . 16912 1 2126 . 1 1 172 172 LYS N N 15 131.653 0.032 . 1 7 . . . 173 K N . 16912 1 stop_ save_