data_19446 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19446 _Entry.Title ; Single-stranded DNA binding protein from E. coli (SSB) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-21 _Entry.Accession_date 2013-08-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Dmitry Shishmarev . . . 19446 2 Yao Wang . . . 19446 3 Hiromasa Yagi . . . 19446 4 Nicholas Dixon . E. . 19446 5 Xun-Cheng Su . . . 19446 6 Hiromasa Yagi . . . 19446 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19446 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 701 19446 '15N chemical shifts' 178 19446 '1H chemical shifts' 948 19446 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-05 2013-08-21 update BMRB 'update entry citation' 19446 1 . . 2013-09-19 2013-08-21 original author 'original release' 19446 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19446 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24606314 _Citation.Full_citation . _Citation.Title 'Bound or Free: Interaction of the C-Terminal Domain of Escherichia coli Single-Stranded DNA-Binding Protein (SSB) with the Tetrameric Core of SSB.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 12 _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 1925 _Citation.Page_last 1934 _Citation.Year 2014 _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 Xun-Cheng Su . . . 19446 1 2 Yao Wang . . . 19446 1 3 Hiromasa Yagi . . . 19446 1 4 Dmitry Shishmarev . . . 19446 1 5 Claire Mason . E. . 19446 1 6 Paul Smith . J. . 19446 1 7 Marylene Vandevenne . . . 19446 1 8 Nicholas Dixon . E. . 19446 1 9 Gottfried Otting . . . 19446 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19446 _Assembly.ID 1 _Assembly.Name SSB _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Single-stranded DNA binding protein' 1 $SSB A . yes native no no . . . 19446 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SSB _Entity.Sf_category entity _Entity.Sf_framecode SSB _Entity.Entry_ID 19446 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SSB _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 ; ASRGVNKVILVGNLGQDPEV RYMPNGGAVANITLATSESW RDKATGEMKEQTEWHRVVLF GKLAEVASEYLRKGSQVYIE GQLRTRKWTDQSGQDRYTTE VVVNVGGTMQMLGGRQGGGA PAGGNIGGGQPQGGWGQPQQ PQGGNQFSGGAQSRPQQSAP AAPSNEPPMDFDDDIPF ; _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 177 _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 PDB 1EQQ . "Single Stranded Dna Binding Protein And Ssdna Complex" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 2 no PDB 1EYG . "Crystal Structure Of Chymotryptic Fragment Of E. Coli Ssb Bound To Two 35-Mer Single Strand Dnas" . . . . . 64.97 116 100.00 100.00 6.06e-76 . . . . 19446 1 3 no PDB 1KAW . "Structure Of Single Stranded Dna Binding Protein (Ssb)" . . . . . 76.27 135 100.00 100.00 6.73e-90 . . . . 19446 1 4 no PDB 1QVC . "Crystal Structure Analysis Of Single Stranded Dna Binding Protein (Ssb) From E.Coli" . . . . . 81.92 145 100.00 100.00 4.96e-97 . . . . 19446 1 5 no PDB 1SRU . "Crystal Structure Of Full Length E. Coli Ssb Protein" . . . . . 63.28 113 100.00 100.00 7.34e-74 . . . . 19446 1 6 no PDB 4MZ9 . "Revised Structure Of E. Coli Ssb" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 7 no DBJ BAB38464 . "ssDNA-binding protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 8 no DBJ BAE78061 . "Single-stranded DNA-binding protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 9 no DBJ BAG79877 . "single-strand DNA-binding protein [Escherichia coli SE11]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 10 no DBJ BAI28321 . "single-stranded DNA-binding protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 11 no DBJ BAI33498 . "single-stranded DNA-binding protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 12 no EMBL CAP78525 . "Single-stranded DNA-binding protein [Escherichia coli LF82]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 13 no EMBL CAQ34408 . "ssDNA-binding protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 14 no EMBL CAQ91583 . "Single-stranded DNA-binding protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 15 no EMBL CAR01039 . "Single-stranded DNA-binding protein [Escherichia coli IAI1]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 16 no EMBL CAR05708 . "Single-stranded DNA-binding protein [Escherichia coli S88]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 17 no GB AAA24649 . "single-strand DNA-binding protein (ssb) [Escherichia coli]" . . . . . 100.00 178 99.44 99.44 4.40e-122 . . . . 19446 1 18 no GB AAC43153 . "single-strand DNA-binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 19 no GB AAC77029 . "single-stranded DNA-binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 20 no GB AAG59257 . "ssDNA-binding protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 178 99.44 99.44 5.07e-122 . . . . 19446 1 21 no GB AAN45567 . "ssDNA-binding protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 22 no PIR E86099 . "ssDNA-binding protein [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 178 99.44 99.44 5.07e-122 . . . . 19446 1 23 no REF NP_313068 . "single-stranded DNA-binding protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 24 no REF NP_418483 . "single-stranded DNA-binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 25 no REF NP_709860 . "single-stranded DNA-binding protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 26 no REF WP_000157064 . "single-stranded DNA-binding protein [Escherichia coli]" . . . . . 100.00 178 99.44 100.00 2.31e-122 . . . . 19446 1 27 no REF WP_000168295 . "single-stranded DNA-binding protein [Escherichia coli]" . . . . . 100.00 178 99.44 99.44 8.20e-122 . . . . 19446 1 28 no SP P0AGE0 . "RecName: Full=Single-stranded DNA-binding protein; Short=SSB; AltName: Full=Helix-destabilizing protein" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 29 no SP P0AGE1 . "RecName: Full=Single-stranded DNA-binding protein; Short=SSB" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 30 no SP P0AGE2 . "RecName: Full=Single-stranded DNA-binding protein; Short=SSB" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 1 31 no SP P0AGE3 . "RecName: Full=Single-stranded DNA-binding protein; Short=SSB" . . . . . 100.00 178 100.00 100.00 8.53e-123 . . . . 19446 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 . ALA . 19446 1 2 . SER . 19446 1 3 . ARG . 19446 1 4 . GLY . 19446 1 5 . VAL . 19446 1 6 . ASN . 19446 1 7 . LYS . 19446 1 8 . VAL . 19446 1 9 . ILE . 19446 1 10 . LEU . 19446 1 11 . VAL . 19446 1 12 . GLY . 19446 1 13 . ASN . 19446 1 14 . LEU . 19446 1 15 . GLY . 19446 1 16 . GLN . 19446 1 17 . ASP . 19446 1 18 . PRO . 19446 1 19 . GLU . 19446 1 20 . VAL . 19446 1 21 . ARG . 19446 1 22 . TYR . 19446 1 23 . MET . 19446 1 24 . PRO . 19446 1 25 . ASN . 19446 1 26 . GLY . 19446 1 27 . GLY . 19446 1 28 . ALA . 19446 1 29 . VAL . 19446 1 30 . ALA . 19446 1 31 . ASN . 19446 1 32 . ILE . 19446 1 33 . THR . 19446 1 34 . LEU . 19446 1 35 . ALA . 19446 1 36 . THR . 19446 1 37 . SER . 19446 1 38 . GLU . 19446 1 39 . SER . 19446 1 40 . TRP . 19446 1 41 . ARG . 19446 1 42 . ASP . 19446 1 43 . LYS . 19446 1 44 . ALA . 19446 1 45 . THR . 19446 1 46 . GLY . 19446 1 47 . GLU . 19446 1 48 . MET . 19446 1 49 . LYS . 19446 1 50 . GLU . 19446 1 51 . GLN . 19446 1 52 . THR . 19446 1 53 . GLU . 19446 1 54 . TRP . 19446 1 55 . HIS . 19446 1 56 . ARG . 19446 1 57 . VAL . 19446 1 58 . VAL . 19446 1 59 . LEU . 19446 1 60 . PHE . 19446 1 61 . GLY . 19446 1 62 . LYS . 19446 1 63 . LEU . 19446 1 64 . ALA . 19446 1 65 . GLU . 19446 1 66 . VAL . 19446 1 67 . ALA . 19446 1 68 . SER . 19446 1 69 . GLU . 19446 1 70 . TYR . 19446 1 71 . LEU . 19446 1 72 . ARG . 19446 1 73 . LYS . 19446 1 74 . GLY . 19446 1 75 . SER . 19446 1 76 . GLN . 19446 1 77 . VAL . 19446 1 78 . TYR . 19446 1 79 . ILE . 19446 1 80 . GLU . 19446 1 81 . GLY . 19446 1 82 . GLN . 19446 1 83 . LEU . 19446 1 84 . ARG . 19446 1 85 . THR . 19446 1 86 . ARG . 19446 1 87 . LYS . 19446 1 88 . TRP . 19446 1 89 . THR . 19446 1 90 . ASP . 19446 1 91 . GLN . 19446 1 92 . SER . 19446 1 93 . GLY . 19446 1 94 . GLN . 19446 1 95 . ASP . 19446 1 96 . ARG . 19446 1 97 . TYR . 19446 1 98 . THR . 19446 1 99 . THR . 19446 1 100 . GLU . 19446 1 101 . VAL . 19446 1 102 . VAL . 19446 1 103 . VAL . 19446 1 104 . ASN . 19446 1 105 . VAL . 19446 1 106 . GLY . 19446 1 107 . GLY . 19446 1 108 . THR . 19446 1 109 . MET . 19446 1 110 . GLN . 19446 1 111 . MET . 19446 1 112 . LEU . 19446 1 113 . GLY . 19446 1 114 . GLY . 19446 1 115 . ARG . 19446 1 116 . GLN . 19446 1 117 . GLY . 19446 1 118 . GLY . 19446 1 119 . GLY . 19446 1 120 . ALA . 19446 1 121 . PRO . 19446 1 122 . ALA . 19446 1 123 . GLY . 19446 1 124 . GLY . 19446 1 125 . ASN . 19446 1 126 . ILE . 19446 1 127 . GLY . 19446 1 128 . GLY . 19446 1 129 . GLY . 19446 1 130 . GLN . 19446 1 131 . PRO . 19446 1 132 . GLN . 19446 1 133 . GLY . 19446 1 134 . GLY . 19446 1 135 . TRP . 19446 1 136 . GLY . 19446 1 137 . GLN . 19446 1 138 . PRO . 19446 1 139 . GLN . 19446 1 140 . GLN . 19446 1 141 . PRO . 19446 1 142 . GLN . 19446 1 143 . GLY . 19446 1 144 . GLY . 19446 1 145 . ASN . 19446 1 146 . GLN . 19446 1 147 . PHE . 19446 1 148 . SER . 19446 1 149 . GLY . 19446 1 150 . GLY . 19446 1 151 . ALA . 19446 1 152 . GLN . 19446 1 153 . SER . 19446 1 154 . ARG . 19446 1 155 . PRO . 19446 1 156 . GLN . 19446 1 157 . GLN . 19446 1 158 . SER . 19446 1 159 . ALA . 19446 1 160 . PRO . 19446 1 161 . ALA . 19446 1 162 . ALA . 19446 1 163 . PRO . 19446 1 164 . SER . 19446 1 165 . ASN . 19446 1 166 . GLU . 19446 1 167 . PRO . 19446 1 168 . PRO . 19446 1 169 . MET . 19446 1 170 . ASP . 19446 1 171 . PHE . 19446 1 172 . ASP . 19446 1 173 . ASP . 19446 1 174 . ASP . 19446 1 175 . ILE . 19446 1 176 . PRO . 19446 1 177 . PHE . 19446 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 . ALA 1 1 19446 1 . SER 2 2 19446 1 . ARG 3 3 19446 1 . GLY 4 4 19446 1 . VAL 5 5 19446 1 . ASN 6 6 19446 1 . LYS 7 7 19446 1 . VAL 8 8 19446 1 . ILE 9 9 19446 1 . LEU 10 10 19446 1 . VAL 11 11 19446 1 . GLY 12 12 19446 1 . ASN 13 13 19446 1 . LEU 14 14 19446 1 . GLY 15 15 19446 1 . GLN 16 16 19446 1 . ASP 17 17 19446 1 . PRO 18 18 19446 1 . GLU 19 19 19446 1 . VAL 20 20 19446 1 . ARG 21 21 19446 1 . TYR 22 22 19446 1 . MET 23 23 19446 1 . PRO 24 24 19446 1 . ASN 25 25 19446 1 . GLY 26 26 19446 1 . GLY 27 27 19446 1 . ALA 28 28 19446 1 . VAL 29 29 19446 1 . ALA 30 30 19446 1 . ASN 31 31 19446 1 . ILE 32 32 19446 1 . THR 33 33 19446 1 . LEU 34 34 19446 1 . ALA 35 35 19446 1 . THR 36 36 19446 1 . SER 37 37 19446 1 . GLU 38 38 19446 1 . SER 39 39 19446 1 . TRP 40 40 19446 1 . ARG 41 41 19446 1 . ASP 42 42 19446 1 . LYS 43 43 19446 1 . ALA 44 44 19446 1 . THR 45 45 19446 1 . GLY 46 46 19446 1 . GLU 47 47 19446 1 . MET 48 48 19446 1 . LYS 49 49 19446 1 . GLU 50 50 19446 1 . GLN 51 51 19446 1 . THR 52 52 19446 1 . GLU 53 53 19446 1 . TRP 54 54 19446 1 . HIS 55 55 19446 1 . ARG 56 56 19446 1 . VAL 57 57 19446 1 . VAL 58 58 19446 1 . LEU 59 59 19446 1 . PHE 60 60 19446 1 . GLY 61 61 19446 1 . LYS 62 62 19446 1 . LEU 63 63 19446 1 . ALA 64 64 19446 1 . GLU 65 65 19446 1 . VAL 66 66 19446 1 . ALA 67 67 19446 1 . SER 68 68 19446 1 . GLU 69 69 19446 1 . TYR 70 70 19446 1 . LEU 71 71 19446 1 . ARG 72 72 19446 1 . LYS 73 73 19446 1 . GLY 74 74 19446 1 . SER 75 75 19446 1 . GLN 76 76 19446 1 . VAL 77 77 19446 1 . TYR 78 78 19446 1 . ILE 79 79 19446 1 . GLU 80 80 19446 1 . GLY 81 81 19446 1 . GLN 82 82 19446 1 . LEU 83 83 19446 1 . ARG 84 84 19446 1 . THR 85 85 19446 1 . ARG 86 86 19446 1 . LYS 87 87 19446 1 . TRP 88 88 19446 1 . THR 89 89 19446 1 . ASP 90 90 19446 1 . GLN 91 91 19446 1 . SER 92 92 19446 1 . GLY 93 93 19446 1 . GLN 94 94 19446 1 . ASP 95 95 19446 1 . ARG 96 96 19446 1 . TYR 97 97 19446 1 . THR 98 98 19446 1 . THR 99 99 19446 1 . GLU 100 100 19446 1 . VAL 101 101 19446 1 . VAL 102 102 19446 1 . VAL 103 103 19446 1 . ASN 104 104 19446 1 . VAL 105 105 19446 1 . GLY 106 106 19446 1 . GLY 107 107 19446 1 . THR 108 108 19446 1 . MET 109 109 19446 1 . GLN 110 110 19446 1 . MET 111 111 19446 1 . LEU 112 112 19446 1 . GLY 113 113 19446 1 . GLY 114 114 19446 1 . ARG 115 115 19446 1 . GLN 116 116 19446 1 . GLY 117 117 19446 1 . GLY 118 118 19446 1 . GLY 119 119 19446 1 . ALA 120 120 19446 1 . PRO 121 121 19446 1 . ALA 122 122 19446 1 . GLY 123 123 19446 1 . GLY 124 124 19446 1 . ASN 125 125 19446 1 . ILE 126 126 19446 1 . GLY 127 127 19446 1 . GLY 128 128 19446 1 . GLY 129 129 19446 1 . GLN 130 130 19446 1 . PRO 131 131 19446 1 . GLN 132 132 19446 1 . GLY 133 133 19446 1 . GLY 134 134 19446 1 . TRP 135 135 19446 1 . GLY 136 136 19446 1 . GLN 137 137 19446 1 . PRO 138 138 19446 1 . GLN 139 139 19446 1 . GLN 140 140 19446 1 . PRO 141 141 19446 1 . GLN 142 142 19446 1 . GLY 143 143 19446 1 . GLY 144 144 19446 1 . ASN 145 145 19446 1 . GLN 146 146 19446 1 . PHE 147 147 19446 1 . SER 148 148 19446 1 . GLY 149 149 19446 1 . GLY 150 150 19446 1 . ALA 151 151 19446 1 . GLN 152 152 19446 1 . SER 153 153 19446 1 . ARG 154 154 19446 1 . PRO 155 155 19446 1 . GLN 156 156 19446 1 . GLN 157 157 19446 1 . SER 158 158 19446 1 . ALA 159 159 19446 1 . PRO 160 160 19446 1 . ALA 161 161 19446 1 . ALA 162 162 19446 1 . PRO 163 163 19446 1 . SER 164 164 19446 1 . ASN 165 165 19446 1 . GLU 166 166 19446 1 . PRO 167 167 19446 1 . PRO 168 168 19446 1 . MET 169 169 19446 1 . ASP 170 170 19446 1 . PHE 171 171 19446 1 . ASP 172 172 19446 1 . ASP 173 173 19446 1 . ASP 174 174 19446 1 . ILE 175 175 19446 1 . PRO 176 176 19446 1 . PHE 177 177 19446 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 19446 _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 $SSB . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19446 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 19446 _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 $SSB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . na . . . . . . 19446 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19446 _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 SSB '[U-100% 13C; U-100% 15N]' . . 1 $SSB . . 0.5 . . mM . . . . 19446 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19446 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19446 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 19446 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19446 1 pH 3.4 . pH 19446 1 pressure 1 . atm 19446 1 temperature 298 . K 19446 1 stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19446 _Software.ID 1 _Software.Name Analysis _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19446 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19446 1 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 19446 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19446 _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 . 800 . . . 19446 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 19446 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19446 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19446 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19446 1 4 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19446 1 5 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19446 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19446 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Analysis _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19446 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19446 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19446 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19446 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 19446 _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' . . . 19446 1 2 '3D HNCACB' . . . 19446 1 3 '3D CBCA(CO)NH' . . . 19446 1 4 '3D HCCH-TOCSY' . . . 19446 1 5 '3D 1H-15N NOESY' . . . 19446 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 ALA HA H 1 4.158 0.003 . 1 . . . . 1 Ala HA . 19446 1 2 . 1 1 1 1 ALA HB1 H 1 1.553 0.005 . 1 . . . . 1 Ala HB1 . 19446 1 3 . 1 1 1 1 ALA HB2 H 1 1.553 0.005 . 1 . . . . 1 Ala HB2 . 19446 1 4 . 1 1 1 1 ALA HB3 H 1 1.553 0.005 . 1 . . . . 1 Ala HB3 . 19446 1 5 . 1 1 1 1 ALA C C 13 172.934 0.005 . 1 . . . . 1 Ala C . 19446 1 6 . 1 1 1 1 ALA CA C 13 50.970 0.247 . 1 . . . . 1 Ala CA . 19446 1 7 . 1 1 1 1 ALA CB C 13 18.509 0.287 . 1 . . . . 1 Ala CB . 19446 1 8 . 1 1 2 2 SER H H 1 8.715 0.004 . 1 . . . . 2 Ser H . 19446 1 9 . 1 1 2 2 SER HA H 1 4.539 0.005 . 1 . . . . 2 Ser HA . 19446 1 10 . 1 1 2 2 SER HB2 H 1 3.883 0.005 . 2 . . . . 2 Ser HB2 . 19446 1 11 . 1 1 2 2 SER HB3 H 1 3.844 0.001 . 2 . . . . 2 Ser HB3 . 19446 1 12 . 1 1 2 2 SER C C 13 173.338 0.020 . 1 . . . . 2 Ser C . 19446 1 13 . 1 1 2 2 SER CA C 13 57.345 0.236 . 1 . . . . 2 Ser CA . 19446 1 14 . 1 1 2 2 SER CB C 13 63.054 0.337 . 1 . . . . 2 Ser CB . 19446 1 15 . 1 1 2 2 SER N N 15 116.027 0.089 . 1 . . . . 2 Ser N . 19446 1 16 . 1 1 3 3 ARG H H 1 8.581 0.006 . 1 . . . . 3 Arg H . 19446 1 17 . 1 1 3 3 ARG HA H 1 4.400 0.006 . 1 . . . . 3 Arg HA . 19446 1 18 . 1 1 3 3 ARG HB2 H 1 1.796 0.009 . 2 . . . . 3 Arg HB2 . 19446 1 19 . 1 1 3 3 ARG HB3 H 1 1.906 0.004 . 2 . . . . 3 Arg HB3 . 19446 1 20 . 1 1 3 3 ARG HG2 H 1 1.661 0.016 . 2 . . . . 3 Arg HG2 . 19446 1 21 . 1 1 3 3 ARG HG3 H 1 1.671 0.016 . 2 . . . . 3 Arg HG3 . 19446 1 22 . 1 1 3 3 ARG HD2 H 1 3.223 0.002 . 1 . . . . 3 Arg HD2 . 19446 1 23 . 1 1 3 3 ARG C C 13 175.714 0.011 . 1 . . . . 3 Arg C . 19446 1 24 . 1 1 3 3 ARG CA C 13 55.337 0.038 . 1 . . . . 3 Arg CA . 19446 1 25 . 1 1 3 3 ARG CB C 13 29.937 0.032 . 1 . . . . 3 Arg CB . 19446 1 26 . 1 1 3 3 ARG CG C 13 26.132 0.021 . 1 . . . . 3 Arg CG . 19446 1 27 . 1 1 3 3 ARG CD C 13 42.424 0.015 . 1 . . . . 3 Arg CD . 19446 1 28 . 1 1 3 3 ARG N N 15 123.346 0.043 . 1 . . . . 3 Arg N . 19446 1 29 . 1 1 4 4 GLY H H 1 8.469 0.005 . 1 . . . . 4 Gly H . 19446 1 30 . 1 1 4 4 GLY HA2 H 1 3.969 0.005 . 2 . . . . 4 Gly HA2 . 19446 1 31 . 1 1 4 4 GLY HA3 H 1 4.009 0.000 . 2 . . . . 4 Gly HA3 . 19446 1 32 . 1 1 4 4 GLY C C 13 172.958 0.008 . 1 . . . . 4 Gly C . 19446 1 33 . 1 1 4 4 GLY CA C 13 44.317 0.043 . 1 . . . . 4 Gly CA . 19446 1 34 . 1 1 4 4 GLY N N 15 110.246 0.026 . 1 . . . . 4 Gly N . 19446 1 35 . 1 1 5 5 VAL H H 1 8.066 0.004 . 1 . . . . 5 Val H . 19446 1 36 . 1 1 5 5 VAL HA H 1 4.180 0.003 . 1 . . . . 5 Val HA . 19446 1 37 . 1 1 5 5 VAL HB H 1 2.094 0.006 . 1 . . . . 5 Val HB . 19446 1 38 . 1 1 5 5 VAL HG11 H 1 0.927 0.003 . 2 . . . . 5 Val HG11 . 19446 1 39 . 1 1 5 5 VAL HG12 H 1 0.927 0.003 . 2 . . . . 5 Val HG12 . 19446 1 40 . 1 1 5 5 VAL HG13 H 1 0.927 0.003 . 2 . . . . 5 Val HG13 . 19446 1 41 . 1 1 5 5 VAL HG21 H 1 0.945 0.003 . 2 . . . . 5 Val HG21 . 19446 1 42 . 1 1 5 5 VAL HG22 H 1 0.945 0.003 . 2 . . . . 5 Val HG22 . 19446 1 43 . 1 1 5 5 VAL HG23 H 1 0.945 0.003 . 2 . . . . 5 Val HG23 . 19446 1 44 . 1 1 5 5 VAL C C 13 174.870 0.009 . 1 . . . . 5 Val C . 19446 1 45 . 1 1 5 5 VAL CA C 13 61.225 0.028 . 1 . . . . 5 Val CA . 19446 1 46 . 1 1 5 5 VAL CB C 13 31.943 0.044 . 1 . . . . 5 Val CB . 19446 1 47 . 1 1 5 5 VAL CG1 C 13 19.365 0.046 . 2 . . . . 5 Val CG1 . 19446 1 48 . 1 1 5 5 VAL CG2 C 13 20.182 0.059 . 2 . . . . 5 Val CG2 . 19446 1 49 . 1 1 5 5 VAL N N 15 119.042 0.028 . 1 . . . . 5 Val N . 19446 1 50 . 1 1 6 6 ASN H H 1 8.685 0.006 . 1 . . . . 6 Asn H . 19446 1 51 . 1 1 6 6 ASN HA H 1 4.803 0.005 . 1 . . . . 6 Asn HA . 19446 1 52 . 1 1 6 6 ASN HB2 H 1 2.930 0.011 . 2 . . . . 6 Asn HB2 . 19446 1 53 . 1 1 6 6 ASN HB3 H 1 2.832 0.004 . 2 . . . . 6 Asn HB3 . 19446 1 54 . 1 1 6 6 ASN HD21 H 1 7.024 0.002 . 1 . . . . 6 Asn HD21 . 19446 1 55 . 1 1 6 6 ASN HD22 H 1 7.573 0.000 . 1 . . . . 6 Asn HD22 . 19446 1 56 . 1 1 6 6 ASN C C 13 173.209 0.008 . 1 . . . . 6 Asn C . 19446 1 57 . 1 1 6 6 ASN CA C 13 52.121 0.111 . 1 . . . . 6 Asn CA . 19446 1 58 . 1 1 6 6 ASN CB C 13 37.952 0.046 . 1 . . . . 6 Asn CB . 19446 1 59 . 1 1 6 6 ASN N N 15 122.934 0.050 . 1 . . . . 6 Asn N . 19446 1 60 . 1 1 6 6 ASN ND2 N 15 112.374 0.054 . 1 . . . . 6 Asn ND2 . 19446 1 61 . 1 1 7 7 LYS H H 1 8.038 0.006 . 1 . . . . 7 Lys H . 19446 1 62 . 1 1 7 7 LYS HA H 1 4.754 0.003 . 1 . . . . 7 Lys HA . 19446 1 63 . 1 1 7 7 LYS HB3 H 1 1.754 0.004 . 1 . . . . 7 Lys HB3 . 19446 1 64 . 1 1 7 7 LYS HG2 H 1 1.436 0.002 . 2 . . . . 7 Lys HG2 . 19446 1 65 . 1 1 7 7 LYS HG3 H 1 1.292 0.004 . 2 . . . . 7 Lys HG3 . 19446 1 66 . 1 1 7 7 LYS HD3 H 1 1.638 0.001 . 1 . . . . 7 Lys HD3 . 19446 1 67 . 1 1 7 7 LYS HE3 H 1 2.923 0.002 . 1 . . . . 7 Lys HE3 . 19446 1 68 . 1 1 7 7 LYS C C 13 174.785 0.008 . 1 . . . . 7 Lys C . 19446 1 69 . 1 1 7 7 LYS CA C 13 55.145 0.031 . 1 . . . . 7 Lys CA . 19446 1 70 . 1 1 7 7 LYS CB C 13 33.089 0.040 . 1 . . . . 7 Lys CB . 19446 1 71 . 1 1 7 7 LYS CG C 13 23.882 0.042 . 1 . . . . 7 Lys CG . 19446 1 72 . 1 1 7 7 LYS CD C 13 28.276 0.023 . 1 . . . . 7 Lys CD . 19446 1 73 . 1 1 7 7 LYS CE C 13 41.094 0.025 . 1 . . . . 7 Lys CE . 19446 1 74 . 1 1 7 7 LYS N N 15 121.643 0.065 . 1 . . . . 7 Lys N . 19446 1 75 . 1 1 8 8 VAL H H 1 8.738 0.005 . 1 . . . . 8 Val H . 19446 1 76 . 1 1 8 8 VAL HA H 1 4.390 0.004 . 1 . . . . 8 Val HA . 19446 1 77 . 1 1 8 8 VAL HB H 1 1.762 0.008 . 1 . . . . 8 Val HB . 19446 1 78 . 1 1 8 8 VAL HG11 H 1 0.742 0.002 . 2 . . . . 8 Val HG11 . 19446 1 79 . 1 1 8 8 VAL HG12 H 1 0.742 0.002 . 2 . . . . 8 Val HG12 . 19446 1 80 . 1 1 8 8 VAL HG13 H 1 0.742 0.002 . 2 . . . . 8 Val HG13 . 19446 1 81 . 1 1 8 8 VAL HG21 H 1 0.786 0.001 . 2 . . . . 8 Val HG21 . 19446 1 82 . 1 1 8 8 VAL HG22 H 1 0.786 0.001 . 2 . . . . 8 Val HG22 . 19446 1 83 . 1 1 8 8 VAL HG23 H 1 0.786 0.001 . 2 . . . . 8 Val HG23 . 19446 1 84 . 1 1 8 8 VAL C C 13 172.203 0.006 . 1 . . . . 8 Val C . 19446 1 85 . 1 1 8 8 VAL CA C 13 59.689 0.028 . 1 . . . . 8 Val CA . 19446 1 86 . 1 1 8 8 VAL CB C 13 33.625 0.054 . 1 . . . . 8 Val CB . 19446 1 87 . 1 1 8 8 VAL CG1 C 13 20.512 0.042 . 2 . . . . 8 Val CG1 . 19446 1 88 . 1 1 8 8 VAL CG2 C 13 20.031 0.049 . 2 . . . . 8 Val CG2 . 19446 1 89 . 1 1 8 8 VAL N N 15 121.932 0.055 . 1 . . . . 8 Val N . 19446 1 90 . 1 1 9 9 ILE H H 1 8.011 0.008 . 1 . . . . 9 Ile H . 19446 1 91 . 1 1 9 9 ILE HA H 1 4.842 0.004 . 1 . . . . 9 Ile HA . 19446 1 92 . 1 1 9 9 ILE HB H 1 1.563 0.004 . 1 . . . . 9 Ile HB . 19446 1 93 . 1 1 9 9 ILE HG12 H 1 0.969 0.006 . 2 . . . . 9 Ile HG12 . 19446 1 94 . 1 1 9 9 ILE HG13 H 1 1.478 0.003 . 2 . . . . 9 Ile HG13 . 19446 1 95 . 1 1 9 9 ILE HG21 H 1 0.640 0.004 . 1 . . . . 9 Ile HG21 . 19446 1 96 . 1 1 9 9 ILE HG22 H 1 0.640 0.004 . 1 . . . . 9 Ile HG22 . 19446 1 97 . 1 1 9 9 ILE HG23 H 1 0.640 0.004 . 1 . . . . 9 Ile HG23 . 19446 1 98 . 1 1 9 9 ILE HD11 H 1 0.880 0.003 . 1 . . . . 9 Ile HD11 . 19446 1 99 . 1 1 9 9 ILE HD12 H 1 0.880 0.003 . 1 . . . . 9 Ile HD12 . 19446 1 100 . 1 1 9 9 ILE HD13 H 1 0.880 0.003 . 1 . . . . 9 Ile HD13 . 19446 1 101 . 1 1 9 9 ILE C C 13 174.976 0.013 . 1 . . . . 9 Ile C . 19446 1 102 . 1 1 9 9 ILE CA C 13 58.922 0.052 . 1 . . . . 9 Ile CA . 19446 1 103 . 1 1 9 9 ILE CB C 13 39.081 0.068 . 1 . . . . 9 Ile CB . 19446 1 104 . 1 1 9 9 ILE CG1 C 13 27.177 0.041 . 1 . . . . 9 Ile CG1 . 19446 1 105 . 1 1 9 9 ILE CG2 C 13 17.062 0.079 . 1 . . . . 9 Ile CG2 . 19446 1 106 . 1 1 9 9 ILE CD1 C 13 12.733 0.054 . 1 . . . . 9 Ile CD1 . 19446 1 107 . 1 1 9 9 ILE N N 15 124.902 0.023 . 1 . . . . 9 Ile N . 19446 1 108 . 1 1 10 10 LEU H H 1 8.866 0.010 . 1 . . . . 10 Leu H . 19446 1 109 . 1 1 10 10 LEU HA H 1 4.631 0.005 . 1 . . . . 10 Leu HA . 19446 1 110 . 1 1 10 10 LEU HB2 H 1 0.889 0.006 . 2 . . . . 10 Leu HB2 . 19446 1 111 . 1 1 10 10 LEU HB3 H 1 1.150 0.006 . 2 . . . . 10 Leu HB3 . 19446 1 112 . 1 1 10 10 LEU HG H 1 1.154 0.001 . 1 . . . . 10 Leu HG . 19446 1 113 . 1 1 10 10 LEU HD11 H 1 0.277 0.008 . 2 . . . . 10 Leu HD11 . 19446 1 114 . 1 1 10 10 LEU HD12 H 1 0.277 0.008 . 2 . . . . 10 Leu HD12 . 19446 1 115 . 1 1 10 10 LEU HD13 H 1 0.277 0.008 . 2 . . . . 10 Leu HD13 . 19446 1 116 . 1 1 10 10 LEU HD21 H 1 0.314 0.008 . 2 . . . . 10 Leu HD21 . 19446 1 117 . 1 1 10 10 LEU HD22 H 1 0.314 0.008 . 2 . . . . 10 Leu HD22 . 19446 1 118 . 1 1 10 10 LEU HD23 H 1 0.314 0.008 . 2 . . . . 10 Leu HD23 . 19446 1 119 . 1 1 10 10 LEU C C 13 173.004 0.012 . 1 . . . . 10 Leu C . 19446 1 120 . 1 1 10 10 LEU CA C 13 52.304 0.067 . 1 . . . . 10 Leu CA . 19446 1 121 . 1 1 10 10 LEU CB C 13 45.992 0.039 . 1 . . . . 10 Leu CB . 19446 1 122 . 1 1 10 10 LEU CG C 13 25.423 0.290 . 1 . . . . 10 Leu CG . 19446 1 123 . 1 1 10 10 LEU CD1 C 13 25.386 0.000 . 2 . . . . 10 Leu CD1 . 19446 1 124 . 1 1 10 10 LEU CD2 C 13 22.486 0.085 . 2 . . . . 10 Leu CD2 . 19446 1 125 . 1 1 10 10 LEU N N 15 126.465 0.030 . 1 . . . . 10 Leu N . 19446 1 126 . 1 1 11 11 VAL H H 1 8.005 0.005 . 1 . . . . 11 Val H . 19446 1 127 . 1 1 11 11 VAL HA H 1 5.082 0.005 . 1 . . . . 11 Val HA . 19446 1 128 . 1 1 11 11 VAL HB H 1 1.923 0.012 . 1 . . . . 11 Val HB . 19446 1 129 . 1 1 11 11 VAL HG11 H 1 0.910 0.007 . 2 . . . . 11 Val HG11 . 19446 1 130 . 1 1 11 11 VAL HG12 H 1 0.910 0.007 . 2 . . . . 11 Val HG12 . 19446 1 131 . 1 1 11 11 VAL HG13 H 1 0.910 0.007 . 2 . . . . 11 Val HG13 . 19446 1 132 . 1 1 11 11 VAL HG21 H 1 1.007 0.003 . 2 . . . . 11 Val HG21 . 19446 1 133 . 1 1 11 11 VAL HG22 H 1 1.007 0.003 . 2 . . . . 11 Val HG22 . 19446 1 134 . 1 1 11 11 VAL HG23 H 1 1.007 0.003 . 2 . . . . 11 Val HG23 . 19446 1 135 . 1 1 11 11 VAL C C 13 175.040 0.029 . 1 . . . . 11 Val C . 19446 1 136 . 1 1 11 11 VAL CA C 13 59.368 0.056 . 1 . . . . 11 Val CA . 19446 1 137 . 1 1 11 11 VAL CB C 13 33.458 0.064 . 1 . . . . 11 Val CB . 19446 1 138 . 1 1 11 11 VAL CG1 C 13 19.959 0.049 . 2 . . . . 11 Val CG1 . 19446 1 139 . 1 1 11 11 VAL CG2 C 13 20.960 0.076 . 2 . . . . 11 Val CG2 . 19446 1 140 . 1 1 11 11 VAL N N 15 120.035 0.056 . 1 . . . . 11 Val N . 19446 1 141 . 1 1 12 12 GLY H H 1 8.421 0.006 . 1 . . . . 12 Gly H . 19446 1 142 . 1 1 12 12 GLY HA2 H 1 4.130 0.002 . 2 . . . . 12 Gly HA2 . 19446 1 143 . 1 1 12 12 GLY HA3 H 1 4.350 0.006 . 2 . . . . 12 Gly HA3 . 19446 1 144 . 1 1 12 12 GLY C C 13 170.163 0.020 . 1 . . . . 12 Gly C . 19446 1 145 . 1 1 12 12 GLY CA C 13 45.155 0.048 . 1 . . . . 12 Gly CA . 19446 1 146 . 1 1 12 12 GLY N N 15 111.429 0.031 . 1 . . . . 12 Gly N . 19446 1 147 . 1 1 13 13 ASN H H 1 8.293 0.008 . 1 . . . . 13 Asn H . 19446 1 148 . 1 1 13 13 ASN HA H 1 5.953 0.003 . 1 . . . . 13 Asn HA . 19446 1 149 . 1 1 13 13 ASN HB2 H 1 2.422 0.008 . 2 . . . . 13 Asn HB2 . 19446 1 150 . 1 1 13 13 ASN HB3 H 1 2.404 0.008 . 2 . . . . 13 Asn HB3 . 19446 1 151 . 1 1 13 13 ASN HD21 H 1 6.928 0.001 . 1 . . . . 13 Asn HD21 . 19446 1 152 . 1 1 13 13 ASN HD22 H 1 7.180 0.002 . 1 . . . . 13 Asn HD22 . 19446 1 153 . 1 1 13 13 ASN C C 13 174.934 0.010 . 1 . . . . 13 Asn C . 19446 1 154 . 1 1 13 13 ASN CA C 13 50.404 0.062 . 1 . . . . 13 Asn CA . 19446 1 155 . 1 1 13 13 ASN CB C 13 40.961 0.077 . 1 . . . . 13 Asn CB . 19446 1 156 . 1 1 13 13 ASN N N 15 115.650 0.056 . 1 . . . . 13 Asn N . 19446 1 157 . 1 1 13 13 ASN ND2 N 15 111.345 0.047 . 1 . . . . 13 Asn ND2 . 19446 1 158 . 1 1 14 14 LEU H H 1 8.898 0.006 . 1 . . . . 14 Leu H . 19446 1 159 . 1 1 14 14 LEU HA H 1 4.814 0.003 . 1 . . . . 14 Leu HA . 19446 1 160 . 1 1 14 14 LEU HB3 H 1 2.143 0.006 . 1 . . . . 14 Leu HB3 . 19446 1 161 . 1 1 14 14 LEU HG H 1 1.943 0.005 . 1 . . . . 14 Leu HG . 19446 1 162 . 1 1 14 14 LEU HD11 H 1 0.964 0.004 . 1 . . . . 14 Leu HD11 . 19446 1 163 . 1 1 14 14 LEU HD12 H 1 0.964 0.004 . 1 . . . . 14 Leu HD12 . 19446 1 164 . 1 1 14 14 LEU HD13 H 1 0.964 0.004 . 1 . . . . 14 Leu HD13 . 19446 1 165 . 1 1 14 14 LEU C C 13 179.544 0.025 . 1 . . . . 14 Leu C . 19446 1 166 . 1 1 14 14 LEU CA C 13 56.458 0.066 . 1 . . . . 14 Leu CA . 19446 1 167 . 1 1 14 14 LEU CB C 13 40.877 0.046 . 1 . . . . 14 Leu CB . 19446 1 168 . 1 1 14 14 LEU CG C 13 26.016 0.052 . 1 . . . . 14 Leu CG . 19446 1 169 . 1 1 14 14 LEU CD1 C 13 24.540 0.000 . 2 . . . . 14 Leu CD1 . 19446 1 170 . 1 1 14 14 LEU CD2 C 13 24.275 0.000 . 2 . . . . 14 Leu CD2 . 19446 1 171 . 1 1 14 14 LEU N N 15 124.012 0.063 . 1 . . . . 14 Leu N . 19446 1 172 . 1 1 15 15 GLY H H 1 9.308 0.003 . 1 . . . . 15 Gly H . 19446 1 173 . 1 1 15 15 GLY HA2 H 1 3.877 0.005 . 2 . . . . 15 Gly HA2 . 19446 1 174 . 1 1 15 15 GLY HA3 H 1 4.367 0.005 . 2 . . . . 15 Gly HA3 . 19446 1 175 . 1 1 15 15 GLY C C 13 171.291 0.022 . 1 . . . . 15 Gly C . 19446 1 176 . 1 1 15 15 GLY CA C 13 45.063 0.056 . 1 . . . . 15 Gly CA . 19446 1 177 . 1 1 15 15 GLY N N 15 110.848 0.070 . 1 . . . . 15 Gly N . 19446 1 178 . 1 1 16 16 GLN H H 1 7.524 0.005 . 1 . . . . 16 Gln H . 19446 1 179 . 1 1 16 16 GLN HA H 1 4.577 0.005 . 1 . . . . 16 Gln HA . 19446 1 180 . 1 1 16 16 GLN HB3 H 1 2.022 0.000 . 1 . . . . 16 Gln HB3 . 19446 1 181 . 1 1 16 16 GLN HG2 H 1 2.360 0.000 . 2 . . . . 16 Gln HG2 . 19446 1 182 . 1 1 16 16 GLN HG3 H 1 2.257 0.000 . 2 . . . . 16 Gln HG3 . 19446 1 183 . 1 1 16 16 GLN C C 13 173.676 0.014 . 1 . . . . 16 Gln C . 19446 1 184 . 1 1 16 16 GLN CA C 13 52.758 0.070 . 1 . . . . 16 Gln CA . 19446 1 185 . 1 1 16 16 GLN CB C 13 31.768 0.125 . 1 . . . . 16 Gln CB . 19446 1 186 . 1 1 16 16 GLN CG C 13 32.427 0.000 . 1 . . . . 16 Gln CG . 19446 1 187 . 1 1 16 16 GLN N N 15 112.740 0.055 . 1 . . . . 16 Gln N . 19446 1 188 . 1 1 17 17 ASP H H 1 9.216 0.007 . 1 . . . . 17 Asp H . 19446 1 189 . 1 1 17 17 ASP HA H 1 4.630 0.003 . 1 . . . . 17 Asp HA . 19446 1 190 . 1 1 17 17 ASP HB2 H 1 2.603 0.008 . 2 . . . . 17 Asp HB2 . 19446 1 191 . 1 1 17 17 ASP HB3 H 1 2.937 0.000 . 2 . . . . 17 Asp HB3 . 19446 1 192 . 1 1 17 17 ASP C C 13 172.839 0.012 . 1 . . . . 17 Asp C . 19446 1 193 . 1 1 17 17 ASP CA C 13 53.120 0.042 . 1 . . . . 17 Asp CA . 19446 1 194 . 1 1 17 17 ASP CB C 13 37.235 0.046 . 1 . . . . 17 Asp CB . 19446 1 195 . 1 1 17 17 ASP N N 15 123.804 0.087 . 1 . . . . 17 Asp N . 19446 1 196 . 1 1 18 18 PRO HA H 1 4.389 0.014 . 1 . . . . 18 Pro HA . 19446 1 197 . 1 1 18 18 PRO HB3 H 1 2.107 0.002 . 1 . . . . 18 Pro HB3 . 19446 1 198 . 1 1 18 18 PRO HG2 H 1 1.684 0.000 . 2 . . . . 18 Pro HG2 . 19446 1 199 . 1 1 18 18 PRO HG3 H 1 1.542 0.000 . 2 . . . . 18 Pro HG3 . 19446 1 200 . 1 1 18 18 PRO C C 13 173.979 0.010 . 1 . . . . 18 Pro C . 19446 1 201 . 1 1 18 18 PRO CA C 13 62.401 0.089 . 1 . . . . 18 Pro CA . 19446 1 202 . 1 1 18 18 PRO CB C 13 31.051 0.030 . 1 . . . . 18 Pro CB . 19446 1 203 . 1 1 18 18 PRO CG C 13 26.621 0.230 . 1 . . . . 18 Pro CG . 19446 1 204 . 1 1 18 18 PRO CD C 13 49.675 0.000 . 1 . . . . 18 Pro CD . 19446 1 205 . 1 1 19 19 GLU H H 1 8.011 0.007 . 1 . . . . 19 Glu H . 19446 1 206 . 1 1 19 19 GLU HA H 1 4.679 0.004 . 1 . . . . 19 Glu HA . 19446 1 207 . 1 1 19 19 GLU HB2 H 1 1.974 0.000 . 2 . . . . 19 Glu HB2 . 19446 1 208 . 1 1 19 19 GLU HB3 H 1 2.083 0.000 . 2 . . . . 19 Glu HB3 . 19446 1 209 . 1 1 19 19 GLU HG2 H 1 2.421 0.000 . 2 . . . . 19 Glu HG2 . 19446 1 210 . 1 1 19 19 GLU HG3 H 1 2.235 0.004 . 2 . . . . 19 Glu HG3 . 19446 1 211 . 1 1 19 19 GLU C C 13 173.942 0.013 . 1 . . . . 19 Glu C . 19446 1 212 . 1 1 19 19 GLU CA C 13 53.712 0.054 . 1 . . . . 19 Glu CA . 19446 1 213 . 1 1 19 19 GLU CB C 13 29.396 0.076 . 1 . . . . 19 Glu CB . 19446 1 214 . 1 1 19 19 GLU CG C 13 32.877 0.021 . 1 . . . . 19 Glu CG . 19446 1 215 . 1 1 19 19 GLU N N 15 122.526 0.073 . 1 . . . . 19 Glu N . 19446 1 216 . 1 1 20 20 VAL H H 1 8.782 0.008 . 1 . . . . 20 Val H . 19446 1 217 . 1 1 20 20 VAL HA H 1 4.751 0.005 . 1 . . . . 20 Val HA . 19446 1 218 . 1 1 20 20 VAL HB H 1 1.838 0.002 . 1 . . . . 20 Val HB . 19446 1 219 . 1 1 20 20 VAL HG11 H 1 0.583 0.002 . 2 . . . . 20 Val HG11 . 19446 1 220 . 1 1 20 20 VAL HG12 H 1 0.583 0.002 . 2 . . . . 20 Val HG12 . 19446 1 221 . 1 1 20 20 VAL HG13 H 1 0.583 0.002 . 2 . . . . 20 Val HG13 . 19446 1 222 . 1 1 20 20 VAL HG21 H 1 0.697 0.002 . 2 . . . . 20 Val HG21 . 19446 1 223 . 1 1 20 20 VAL HG22 H 1 0.697 0.002 . 2 . . . . 20 Val HG22 . 19446 1 224 . 1 1 20 20 VAL HG23 H 1 0.697 0.002 . 2 . . . . 20 Val HG23 . 19446 1 225 . 1 1 20 20 VAL C C 13 173.778 0.035 . 1 . . . . 20 Val C . 19446 1 226 . 1 1 20 20 VAL CA C 13 60.406 0.036 . 1 . . . . 20 Val CA . 19446 1 227 . 1 1 20 20 VAL CB C 13 32.767 0.083 . 1 . . . . 20 Val CB . 19446 1 228 . 1 1 20 20 VAL CG1 C 13 19.516 0.033 . 2 . . . . 20 Val CG1 . 19446 1 229 . 1 1 20 20 VAL CG2 C 13 20.165 0.030 . 2 . . . . 20 Val CG2 . 19446 1 230 . 1 1 20 20 VAL N N 15 126.878 0.046 . 1 . . . . 20 Val N . 19446 1 231 . 1 1 21 21 ARG H H 1 8.799 0.003 . 1 . . . . 21 Arg H . 19446 1 232 . 1 1 21 21 ARG HA H 1 4.562 0.002 . 1 . . . . 21 Arg HA . 19446 1 233 . 1 1 21 21 ARG HB2 H 1 1.698 0.005 . 1 . . . . 21 Arg HB2 . 19446 1 234 . 1 1 21 21 ARG HG2 H 1 1.397 0.000 . 2 . . . . 21 Arg HG2 . 19446 1 235 . 1 1 21 21 ARG HG3 H 1 1.455 0.000 . 2 . . . . 21 Arg HG3 . 19446 1 236 . 1 1 21 21 ARG HD2 H 1 3.023 0.000 . 1 . . . . 21 Arg HD2 . 19446 1 237 . 1 1 21 21 ARG C C 13 172.476 0.009 . 1 . . . . 21 Arg C . 19446 1 238 . 1 1 21 21 ARG CA C 13 52.974 0.036 . 1 . . . . 21 Arg CA . 19446 1 239 . 1 1 21 21 ARG CB C 13 32.519 0.053 . 1 . . . . 21 Arg CB . 19446 1 240 . 1 1 21 21 ARG CG C 13 25.955 0.036 . 1 . . . . 21 Arg CG . 19446 1 241 . 1 1 21 21 ARG CD C 13 42.271 0.000 . 1 . . . . 21 Arg CD . 19446 1 242 . 1 1 21 21 ARG N N 15 127.033 0.030 . 1 . . . . 21 Arg N . 19446 1 243 . 1 1 22 22 TYR H H 1 8.549 0.010 . 1 . . . . 22 Tyr H . 19446 1 244 . 1 1 22 22 TYR HA H 1 4.942 0.007 . 1 . . . . 22 Tyr HA . 19446 1 245 . 1 1 22 22 TYR HB2 H 1 2.703 0.004 . 2 . . . . 22 Tyr HB2 . 19446 1 246 . 1 1 22 22 TYR HB3 H 1 2.912 0.005 . 2 . . . . 22 Tyr HB3 . 19446 1 247 . 1 1 22 22 TYR HD1 H 1 7.055 0.006 . 3 . . . . 22 Tyr HD1 . 19446 1 248 . 1 1 22 22 TYR HD2 H 1 7.055 0.006 . 3 . . . . 22 Tyr HD2 . 19446 1 249 . 1 1 22 22 TYR HE1 H 1 6.731 0.006 . 3 . . . . 22 Tyr HE1 . 19446 1 250 . 1 1 22 22 TYR HE2 H 1 6.731 0.006 . 3 . . . . 22 Tyr HE2 . 19446 1 251 . 1 1 22 22 TYR C C 13 175.585 0.039 . 1 . . . . 22 Tyr C . 19446 1 252 . 1 1 22 22 TYR CA C 13 56.696 0.039 . 1 . . . . 22 Tyr CA . 19446 1 253 . 1 1 22 22 TYR CB C 13 38.630 0.064 . 1 . . . . 22 Tyr CB . 19446 1 254 . 1 1 22 22 TYR CD1 C 13 131.324 0.772 . 3 . . . . 22 Tyr CD1 . 19446 1 255 . 1 1 22 22 TYR CD2 C 13 131.324 0.772 . 3 . . . . 22 Tyr CD2 . 19446 1 256 . 1 1 22 22 TYR CE1 C 13 116.051 0.984 . 3 . . . . 22 Tyr CE1 . 19446 1 257 . 1 1 22 22 TYR CE2 C 13 116.051 0.984 . 3 . . . . 22 Tyr CE2 . 19446 1 258 . 1 1 22 22 TYR N N 15 119.734 0.033 . 1 . . . . 22 Tyr N . 19446 1 259 . 1 1 23 23 MET H H 1 8.740 0.006 . 1 . . . . 23 Met H . 19446 1 260 . 1 1 23 23 MET HA H 1 4.795 0.003 . 1 . . . . 23 Met HA . 19446 1 261 . 1 1 23 23 MET HB2 H 1 2.001 0.003 . 2 . . . . 23 Met HB2 . 19446 1 262 . 1 1 23 23 MET HB3 H 1 2.216 0.005 . 2 . . . . 23 Met HB3 . 19446 1 263 . 1 1 23 23 MET HG2 H 1 2.451 0.002 . 2 . . . . 23 Met HG2 . 19446 1 264 . 1 1 23 23 MET HG3 H 1 2.651 0.004 . 2 . . . . 23 Met HG3 . 19446 1 265 . 1 1 23 23 MET HE1 H 1 2.080 0.002 . 1 . . . . 23 Met HE1 . 19446 1 266 . 1 1 23 23 MET HE2 H 1 2.080 0.002 . 1 . . . . 23 Met HE2 . 19446 1 267 . 1 1 23 23 MET HE3 H 1 2.080 0.002 . 1 . . . . 23 Met HE3 . 19446 1 268 . 1 1 23 23 MET C C 13 174.984 0.027 . 1 . . . . 23 Met C . 19446 1 269 . 1 1 23 23 MET CA C 13 52.551 0.085 . 1 . . . . 23 Met CA . 19446 1 270 . 1 1 23 23 MET CB C 13 31.272 0.139 . 1 . . . . 23 Met CB . 19446 1 271 . 1 1 23 23 MET CG C 13 31.730 0.063 . 1 . . . . 23 Met CG . 19446 1 272 . 1 1 23 23 MET CE C 13 16.312 0.047 . 1 . . . . 23 Met CE . 19446 1 273 . 1 1 23 23 MET N N 15 123.039 0.048 . 1 . . . . 23 Met N . 19446 1 274 . 1 1 24 24 PRO HA H 1 4.374 0.001 . 1 . . . . 24 Pro HA . 19446 1 275 . 1 1 24 24 PRO HB3 H 1 2.139 0.000 . 1 . . . . 24 Pro HB3 . 19446 1 276 . 1 1 24 24 PRO HG2 H 1 1.932 0.000 . 2 . . . . 24 Pro HG2 . 19446 1 277 . 1 1 24 24 PRO HG3 H 1 2.419 0.000 . 2 . . . . 24 Pro HG3 . 19446 1 278 . 1 1 24 24 PRO C C 13 176.008 0.021 . 1 . . . . 24 Pro C . 19446 1 279 . 1 1 24 24 PRO CA C 13 64.179 0.048 . 1 . . . . 24 Pro CA . 19446 1 280 . 1 1 24 24 PRO CB C 13 30.767 0.020 . 1 . . . . 24 Pro CB . 19446 1 281 . 1 1 24 24 PRO CG C 13 26.778 0.007 . 1 . . . . 24 Pro CG . 19446 1 282 . 1 1 25 25 ASN H H 1 8.100 0.010 . 1 . . . . 25 Asn H . 19446 1 283 . 1 1 25 25 ASN HA H 1 4.642 0.005 . 1 . . . . 25 Asn HA . 19446 1 284 . 1 1 25 25 ASN HB2 H 1 3.095 0.003 . 2 . . . . 25 Asn HB2 . 19446 1 285 . 1 1 25 25 ASN HB3 H 1 2.905 0.003 . 2 . . . . 25 Asn HB3 . 19446 1 286 . 1 1 25 25 ASN HD21 H 1 6.776 0.002 . 1 . . . . 25 Asn HD21 . 19446 1 287 . 1 1 25 25 ASN HD22 H 1 7.611 0.001 . 1 . . . . 25 Asn HD22 . 19446 1 288 . 1 1 25 25 ASN C C 13 174.917 0.008 . 1 . . . . 25 Asn C . 19446 1 289 . 1 1 25 25 ASN CA C 13 52.100 0.038 . 1 . . . . 25 Asn CA . 19446 1 290 . 1 1 25 25 ASN CB C 13 36.583 0.036 . 1 . . . . 25 Asn CB . 19446 1 291 . 1 1 25 25 ASN N N 15 113.439 0.016 . 1 . . . . 25 Asn N . 19446 1 292 . 1 1 25 25 ASN ND2 N 15 111.702 0.003 . 1 . . . . 25 Asn ND2 . 19446 1 293 . 1 1 26 26 GLY H H 1 8.348 0.005 . 1 . . . . 26 Gly H . 19446 1 294 . 1 1 26 26 GLY HA2 H 1 4.285 0.004 . 2 . . . . 26 Gly HA2 . 19446 1 295 . 1 1 26 26 GLY HA3 H 1 3.818 0.007 . 2 . . . . 26 Gly HA3 . 19446 1 296 . 1 1 26 26 GLY C C 13 173.775 0.018 . 1 . . . . 26 Gly C . 19446 1 297 . 1 1 26 26 GLY CA C 13 44.284 0.056 . 1 . . . . 26 Gly CA . 19446 1 298 . 1 1 26 26 GLY N N 15 108.556 0.036 . 1 . . . . 26 Gly N . 19446 1 299 . 1 1 27 27 GLY H H 1 8.082 0.002 . 1 . . . . 27 Gly H . 19446 1 300 . 1 1 27 27 GLY HA2 H 1 4.145 0.005 . 2 . . . . 27 Gly HA2 . 19446 1 301 . 1 1 27 27 GLY HA3 H 1 3.877 0.002 . 2 . . . . 27 Gly HA3 . 19446 1 302 . 1 1 27 27 GLY C C 13 171.583 0.019 . 1 . . . . 27 Gly C . 19446 1 303 . 1 1 27 27 GLY CA C 13 44.259 0.043 . 1 . . . . 27 Gly CA . 19446 1 304 . 1 1 27 27 GLY N N 15 108.793 0.037 . 1 . . . . 27 Gly N . 19446 1 305 . 1 1 28 28 ALA H H 1 8.420 0.005 . 1 . . . . 28 Ala H . 19446 1 306 . 1 1 28 28 ALA HA H 1 4.697 0.005 . 1 . . . . 28 Ala HA . 19446 1 307 . 1 1 28 28 ALA HB1 H 1 1.126 0.003 . 1 . . . . 28 Ala HB1 . 19446 1 308 . 1 1 28 28 ALA HB2 H 1 1.126 0.003 . 1 . . . . 28 Ala HB2 . 19446 1 309 . 1 1 28 28 ALA HB3 H 1 1.126 0.003 . 1 . . . . 28 Ala HB3 . 19446 1 310 . 1 1 28 28 ALA C C 13 175.609 0.024 . 1 . . . . 28 Ala C . 19446 1 311 . 1 1 28 28 ALA CA C 13 50.827 0.039 . 1 . . . . 28 Ala CA . 19446 1 312 . 1 1 28 28 ALA CB C 13 20.022 0.061 . 1 . . . . 28 Ala CB . 19446 1 313 . 1 1 28 28 ALA N N 15 124.298 0.067 . 1 . . . . 28 Ala N . 19446 1 314 . 1 1 29 29 VAL H H 1 8.600 0.008 . 1 . . . . 29 Val H . 19446 1 315 . 1 1 29 29 VAL HA H 1 4.669 0.005 . 1 . . . . 29 Val HA . 19446 1 316 . 1 1 29 29 VAL HB H 1 1.728 0.013 . 1 . . . . 29 Val HB . 19446 1 317 . 1 1 29 29 VAL HG11 H 1 0.661 0.004 . 2 . . . . 29 Val HG11 . 19446 1 318 . 1 1 29 29 VAL HG12 H 1 0.661 0.004 . 2 . . . . 29 Val HG12 . 19446 1 319 . 1 1 29 29 VAL HG13 H 1 0.661 0.004 . 2 . . . . 29 Val HG13 . 19446 1 320 . 1 1 29 29 VAL HG21 H 1 0.555 0.007 . 2 . . . . 29 Val HG21 . 19446 1 321 . 1 1 29 29 VAL HG22 H 1 0.555 0.007 . 2 . . . . 29 Val HG22 . 19446 1 322 . 1 1 29 29 VAL HG23 H 1 0.555 0.007 . 2 . . . . 29 Val HG23 . 19446 1 323 . 1 1 29 29 VAL C C 13 172.607 0.008 . 1 . . . . 29 Val C . 19446 1 324 . 1 1 29 29 VAL CA C 13 59.422 0.038 . 1 . . . . 29 Val CA . 19446 1 325 . 1 1 29 29 VAL CB C 13 34.283 0.050 . 1 . . . . 29 Val CB . 19446 1 326 . 1 1 29 29 VAL CG1 C 13 19.877 0.022 . 2 . . . . 29 Val CG1 . 19446 1 327 . 1 1 29 29 VAL CG2 C 13 20.724 0.079 . 2 . . . . 29 Val CG2 . 19446 1 328 . 1 1 29 29 VAL N N 15 119.798 0.056 . 1 . . . . 29 Val N . 19446 1 329 . 1 1 30 30 ALA H H 1 8.771 0.006 . 1 . . . . 30 Ala H . 19446 1 330 . 1 1 30 30 ALA HA H 1 5.384 0.002 . 1 . . . . 30 Ala HA . 19446 1 331 . 1 1 30 30 ALA HB1 H 1 1.091 0.000 . 1 . . . . 30 Ala HB1 . 19446 1 332 . 1 1 30 30 ALA HB2 H 1 1.091 0.000 . 1 . . . . 30 Ala HB2 . 19446 1 333 . 1 1 30 30 ALA HB3 H 1 1.091 0.000 . 1 . . . . 30 Ala HB3 . 19446 1 334 . 1 1 30 30 ALA C C 13 173.852 0.011 . 1 . . . . 30 Ala C . 19446 1 335 . 1 1 30 30 ALA CA C 13 48.560 0.037 . 1 . . . . 30 Ala CA . 19446 1 336 . 1 1 30 30 ALA CB C 13 21.455 0.041 . 1 . . . . 30 Ala CB . 19446 1 337 . 1 1 30 30 ALA N N 15 126.054 0.034 . 1 . . . . 30 Ala N . 19446 1 338 . 1 1 31 31 ASN H H 1 8.913 0.005 . 1 . . . . 31 Asn H . 19446 1 339 . 1 1 31 31 ASN HA H 1 5.258 0.007 . 1 . . . . 31 Asn HA . 19446 1 340 . 1 1 31 31 ASN HB2 H 1 2.388 0.004 . 1 . . . . 31 Asn HB2 . 19446 1 341 . 1 1 31 31 ASN HD21 H 1 6.686 0.000 . 1 . . . . 31 Asn HD21 . 19446 1 342 . 1 1 31 31 ASN HD22 H 1 7.069 0.007 . 1 . . . . 31 Asn HD22 . 19446 1 343 . 1 1 31 31 ASN C C 13 173.984 0.070 . 1 . . . . 31 Asn C . 19446 1 344 . 1 1 31 31 ASN CA C 13 51.431 0.072 . 1 . . . . 31 Asn CA . 19446 1 345 . 1 1 31 31 ASN CB C 13 39.538 0.079 . 1 . . . . 31 Asn CB . 19446 1 346 . 1 1 31 31 ASN N N 15 120.641 0.036 . 1 . . . . 31 Asn N . 19446 1 347 . 1 1 31 31 ASN ND2 N 15 110.826 0.025 . 1 . . . . 31 Asn ND2 . 19446 1 348 . 1 1 32 32 ILE H H 1 9.263 0.005 . 1 . . . . 32 Ile H . 19446 1 349 . 1 1 32 32 ILE HA H 1 4.892 0.005 . 1 . . . . 32 Ile HA . 19446 1 350 . 1 1 32 32 ILE HB H 1 1.889 0.004 . 1 . . . . 32 Ile HB . 19446 1 351 . 1 1 32 32 ILE HG12 H 1 0.990 0.011 . 2 . . . . 32 Ile HG12 . 19446 1 352 . 1 1 32 32 ILE HG13 H 1 1.265 0.003 . 2 . . . . 32 Ile HG13 . 19446 1 353 . 1 1 32 32 ILE HG21 H 1 0.722 0.003 . 1 . . . . 32 Ile HG21 . 19446 1 354 . 1 1 32 32 ILE HG22 H 1 0.722 0.003 . 1 . . . . 32 Ile HG22 . 19446 1 355 . 1 1 32 32 ILE HG23 H 1 0.722 0.003 . 1 . . . . 32 Ile HG23 . 19446 1 356 . 1 1 32 32 ILE HD11 H 1 0.635 0.001 . 1 . . . . 32 Ile HD11 . 19446 1 357 . 1 1 32 32 ILE HD12 H 1 0.635 0.001 . 1 . . . . 32 Ile HD12 . 19446 1 358 . 1 1 32 32 ILE HD13 H 1 0.635 0.001 . 1 . . . . 32 Ile HD13 . 19446 1 359 . 1 1 32 32 ILE C C 13 173.253 0.011 . 1 . . . . 32 Ile C . 19446 1 360 . 1 1 32 32 ILE CA C 13 57.765 0.041 . 1 . . . . 32 Ile CA . 19446 1 361 . 1 1 32 32 ILE CB C 13 40.844 0.079 . 1 . . . . 32 Ile CB . 19446 1 362 . 1 1 32 32 ILE CG1 C 13 26.054 0.039 . 1 . . . . 32 Ile CG1 . 19446 1 363 . 1 1 32 32 ILE CG2 C 13 16.719 0.028 . 1 . . . . 32 Ile CG2 . 19446 1 364 . 1 1 32 32 ILE CD1 C 13 12.395 0.034 . 1 . . . . 32 Ile CD1 . 19446 1 365 . 1 1 32 32 ILE N N 15 120.591 0.055 . 1 . . . . 32 Ile N . 19446 1 366 . 1 1 33 33 THR H H 1 8.903 0.008 . 1 . . . . 33 Thr H . 19446 1 367 . 1 1 33 33 THR HA H 1 5.113 0.006 . 1 . . . . 33 Thr HA . 19446 1 368 . 1 1 33 33 THR HB H 1 4.065 0.006 . 1 . . . . 33 Thr HB . 19446 1 369 . 1 1 33 33 THR HG21 H 1 1.163 0.004 . 1 . . . . 33 Thr HG21 . 19446 1 370 . 1 1 33 33 THR HG22 H 1 1.163 0.004 . 1 . . . . 33 Thr HG22 . 19446 1 371 . 1 1 33 33 THR HG23 H 1 1.163 0.004 . 1 . . . . 33 Thr HG23 . 19446 1 372 . 1 1 33 33 THR C C 13 172.679 0.038 . 1 . . . . 33 Thr C . 19446 1 373 . 1 1 33 33 THR CA C 13 59.870 0.069 . 1 . . . . 33 Thr CA . 19446 1 374 . 1 1 33 33 THR CB C 13 69.257 0.074 . 1 . . . . 33 Thr CB . 19446 1 375 . 1 1 33 33 THR CG2 C 13 21.437 0.030 . 1 . . . . 33 Thr CG2 . 19446 1 376 . 1 1 33 33 THR N N 15 118.964 0.056 . 1 . . . . 33 Thr N . 19446 1 377 . 1 1 34 34 LEU H H 1 9.213 0.005 . 1 . . . . 34 Leu H . 19446 1 378 . 1 1 34 34 LEU HA H 1 4.951 0.004 . 1 . . . . 34 Leu HA . 19446 1 379 . 1 1 34 34 LEU HB2 H 1 1.557 0.010 . 2 . . . . 34 Leu HB2 . 19446 1 380 . 1 1 34 34 LEU HB3 H 1 1.163 0.004 . 2 . . . . 34 Leu HB3 . 19446 1 381 . 1 1 34 34 LEU HD11 H 1 0.512 0.003 . 1 . . . . 34 Leu HD11 . 19446 1 382 . 1 1 34 34 LEU HD12 H 1 0.512 0.003 . 1 . . . . 34 Leu HD12 . 19446 1 383 . 1 1 34 34 LEU HD13 H 1 0.512 0.003 . 1 . . . . 34 Leu HD13 . 19446 1 384 . 1 1 34 34 LEU C C 13 173.924 0.017 . 1 . . . . 34 Leu C . 19446 1 385 . 1 1 34 34 LEU CA C 13 52.704 0.030 . 1 . . . . 34 Leu CA . 19446 1 386 . 1 1 34 34 LEU CB C 13 46.080 0.094 . 1 . . . . 34 Leu CB . 19446 1 387 . 1 1 34 34 LEU CD1 C 13 25.205 0.000 . 2 . . . . 34 Leu CD1 . 19446 1 388 . 1 1 34 34 LEU CD2 C 13 24.940 0.000 . 2 . . . . 34 Leu CD2 . 19446 1 389 . 1 1 34 34 LEU N N 15 127.593 0.054 . 1 . . . . 34 Leu N . 19446 1 390 . 1 1 35 35 ALA H H 1 9.184 0.008 . 1 . . . . 35 Ala H . 19446 1 391 . 1 1 35 35 ALA HA H 1 4.653 0.008 . 1 . . . . 35 Ala HA . 19446 1 392 . 1 1 35 35 ALA HB1 H 1 0.525 0.006 . 1 . . . . 35 Ala HB1 . 19446 1 393 . 1 1 35 35 ALA HB2 H 1 0.525 0.006 . 1 . . . . 35 Ala HB2 . 19446 1 394 . 1 1 35 35 ALA HB3 H 1 0.525 0.006 . 1 . . . . 35 Ala HB3 . 19446 1 395 . 1 1 35 35 ALA C C 13 176.878 0.027 . 1 . . . . 35 Ala C . 19446 1 396 . 1 1 35 35 ALA CA C 13 49.829 0.069 . 1 . . . . 35 Ala CA . 19446 1 397 . 1 1 35 35 ALA CB C 13 18.290 0.084 . 1 . . . . 35 Ala CB . 19446 1 398 . 1 1 35 35 ALA N N 15 130.740 0.024 . 1 . . . . 35 Ala N . 19446 1 399 . 1 1 36 36 THR H H 1 9.068 0.007 . 1 . . . . 36 Thr H . 19446 1 400 . 1 1 36 36 THR HA H 1 4.798 0.005 . 1 . . . . 36 Thr HA . 19446 1 401 . 1 1 36 36 THR HB H 1 4.377 0.004 . 1 . . . . 36 Thr HB . 19446 1 402 . 1 1 36 36 THR HG21 H 1 1.147 0.001 . 1 . . . . 36 Thr HG21 . 19446 1 403 . 1 1 36 36 THR HG22 H 1 1.147 0.001 . 1 . . . . 36 Thr HG22 . 19446 1 404 . 1 1 36 36 THR HG23 H 1 1.147 0.001 . 1 . . . . 36 Thr HG23 . 19446 1 405 . 1 1 36 36 THR C C 13 172.471 0.051 . 1 . . . . 36 Thr C . 19446 1 406 . 1 1 36 36 THR CA C 13 59.262 0.046 . 1 . . . . 36 Thr CA . 19446 1 407 . 1 1 36 36 THR CB C 13 70.373 0.129 . 1 . . . . 36 Thr CB . 19446 1 408 . 1 1 36 36 THR CG2 C 13 20.879 0.012 . 1 . . . . 36 Thr CG2 . 19446 1 409 . 1 1 36 36 THR N N 15 115.626 0.085 . 1 . . . . 36 Thr N . 19446 1 410 . 1 1 37 37 SER H H 1 8.762 0.008 . 1 . . . . 37 Ser H . 19446 1 411 . 1 1 37 37 SER HA H 1 5.160 0.005 . 1 . . . . 37 Ser HA . 19446 1 412 . 1 1 37 37 SER HB2 H 1 3.738 0.000 . 2 . . . . 37 Ser HB2 . 19446 1 413 . 1 1 37 37 SER HB3 H 1 3.693 0.000 . 2 . . . . 37 Ser HB3 . 19446 1 414 . 1 1 37 37 SER C C 13 172.885 0.009 . 1 . . . . 37 Ser C . 19446 1 415 . 1 1 37 37 SER CA C 13 56.665 0.044 . 1 . . . . 37 Ser CA . 19446 1 416 . 1 1 37 37 SER CB C 13 63.764 0.016 . 1 . . . . 37 Ser CB . 19446 1 417 . 1 1 37 37 SER N N 15 117.884 0.027 . 1 . . . . 37 Ser N . 19446 1 418 . 1 1 38 38 GLU H H 1 8.748 0.006 . 1 . . . . 38 Glu H . 19446 1 419 . 1 1 38 38 GLU HA H 1 4.824 0.004 . 1 . . . . 38 Glu HA . 19446 1 420 . 1 1 38 38 GLU HB2 H 1 2.057 0.000 . 2 . . . . 38 Glu HB2 . 19446 1 421 . 1 1 38 38 GLU HB3 H 1 2.195 0.000 . 2 . . . . 38 Glu HB3 . 19446 1 422 . 1 1 38 38 GLU HG2 H 1 2.436 0.000 . 1 . . . . 38 Glu HG2 . 19446 1 423 . 1 1 38 38 GLU C C 13 173.691 0.016 . 1 . . . . 38 Glu C . 19446 1 424 . 1 1 38 38 GLU CA C 13 53.825 0.033 . 1 . . . . 38 Glu CA . 19446 1 425 . 1 1 38 38 GLU CB C 13 30.719 0.048 . 1 . . . . 38 Glu CB . 19446 1 426 . 1 1 38 38 GLU CG C 13 32.581 0.016 . 1 . . . . 38 Glu CG . 19446 1 427 . 1 1 38 38 GLU N N 15 124.285 0.059 . 1 . . . . 38 Glu N . 19446 1 428 . 1 1 39 39 SER H H 1 8.597 0.006 . 1 . . . . 39 Ser H . 19446 1 429 . 1 1 39 39 SER HA H 1 5.515 0.008 . 1 . . . . 39 Ser HA . 19446 1 430 . 1 1 39 39 SER HB3 H 1 3.753 0.000 . 1 . . . . 39 Ser HB3 . 19446 1 431 . 1 1 39 39 SER C C 13 172.782 0.016 . 1 . . . . 39 Ser C . 19446 1 432 . 1 1 39 39 SER CA C 13 56.239 0.029 . 1 . . . . 39 Ser CA . 19446 1 433 . 1 1 39 39 SER CB C 13 64.691 0.013 . 1 . . . . 39 Ser CB . 19446 1 434 . 1 1 39 39 SER N N 15 117.287 0.024 . 1 . . . . 39 Ser N . 19446 1 435 . 1 1 40 40 TRP H H 1 8.671 0.006 . 1 . . . . 40 Trp H . 19446 1 436 . 1 1 40 40 TRP HA H 1 4.847 0.003 . 1 . . . . 40 Trp HA . 19446 1 437 . 1 1 40 40 TRP HB2 H 1 3.135 0.005 . 2 . . . . 40 Trp HB2 . 19446 1 438 . 1 1 40 40 TRP HB3 H 1 3.379 0.005 . 2 . . . . 40 Trp HB3 . 19446 1 439 . 1 1 40 40 TRP HD1 H 1 6.953 0.004 . 1 . . . . 40 Trp HD1 . 19446 1 440 . 1 1 40 40 TRP HE1 H 1 10.268 0.002 . 1 . . . . 40 Trp HE1 . 19446 1 441 . 1 1 40 40 TRP HE3 H 1 7.252 0.007 . 1 . . . . 40 Trp HE3 . 19446 1 442 . 1 1 40 40 TRP HZ2 H 1 7.393 0.005 . 1 . . . . 40 Trp HZ2 . 19446 1 443 . 1 1 40 40 TRP HZ3 H 1 6.903 0.005 . 1 . . . . 40 Trp HZ3 . 19446 1 444 . 1 1 40 40 TRP HH2 H 1 7.064 0.003 . 1 . . . . 40 Trp HH2 . 19446 1 445 . 1 1 40 40 TRP C C 13 171.486 0.011 . 1 . . . . 40 Trp C . 19446 1 446 . 1 1 40 40 TRP CA C 13 55.807 0.073 . 1 . . . . 40 Trp CA . 19446 1 447 . 1 1 40 40 TRP CB C 13 30.455 0.100 . 1 . . . . 40 Trp CB . 19446 1 448 . 1 1 40 40 TRP CD1 C 13 125.231 0.687 . 1 . . . . 40 Trp CD1 . 19446 1 449 . 1 1 40 40 TRP CE3 C 13 120.806 0.000 . 1 . . . . 40 Trp CE3 . 19446 1 450 . 1 1 40 40 TRP CZ2 C 13 112.702 0.770 . 1 . . . . 40 Trp CZ2 . 19446 1 451 . 1 1 40 40 TRP CH2 C 13 122.142 0.923 . 1 . . . . 40 Trp CH2 . 19446 1 452 . 1 1 40 40 TRP N N 15 123.444 0.057 . 1 . . . . 40 Trp N . 19446 1 453 . 1 1 40 40 TRP NE1 N 15 129.496 0.091 . 1 . . . . 40 Trp NE1 . 19446 1 454 . 1 1 41 41 ARG H H 1 8.540 0.008 . 1 . . . . 41 Arg H . 19446 1 455 . 1 1 41 41 ARG HA H 1 4.526 0.006 . 1 . . . . 41 Arg HA . 19446 1 456 . 1 1 41 41 ARG HB2 H 1 1.640 0.005 . 1 . . . . 41 Arg HB2 . 19446 1 457 . 1 1 41 41 ARG HG3 H 1 1.270 0.000 . 1 . . . . 41 Arg HG3 . 19446 1 458 . 1 1 41 41 ARG HD2 H 1 3.090 0.000 . 1 . . . . 41 Arg HD2 . 19446 1 459 . 1 1 41 41 ARG C C 13 174.920 0.010 . 1 . . . . 41 Arg C . 19446 1 460 . 1 1 41 41 ARG CA C 13 54.172 0.086 . 1 . . . . 41 Arg CA . 19446 1 461 . 1 1 41 41 ARG CB C 13 30.226 0.132 . 1 . . . . 41 Arg CB . 19446 1 462 . 1 1 41 41 ARG CG C 13 26.350 0.007 . 1 . . . . 41 Arg CG . 19446 1 463 . 1 1 41 41 ARG CD C 13 42.202 0.015 . 1 . . . . 41 Arg CD . 19446 1 464 . 1 1 41 41 ARG N N 15 121.590 0.049 . 1 . . . . 41 Arg N . 19446 1 465 . 1 1 42 42 ASP H H 1 8.740 0.003 . 1 . . . . 42 Asp H . 19446 1 466 . 1 1 42 42 ASP HA H 1 4.644 0.005 . 1 . . . . 42 Asp HA . 19446 1 467 . 1 1 42 42 ASP HB2 H 1 2.424 0.003 . 2 . . . . 42 Asp HB2 . 19446 1 468 . 1 1 42 42 ASP HB3 H 1 2.978 0.000 . 2 . . . . 42 Asp HB3 . 19446 1 469 . 1 1 42 42 ASP C C 13 176.133 0.032 . 1 . . . . 42 Asp C . 19446 1 470 . 1 1 42 42 ASP CA C 13 53.151 0.088 . 1 . . . . 42 Asp CA . 19446 1 471 . 1 1 42 42 ASP CB C 13 41.441 0.081 . 1 . . . . 42 Asp CB . 19446 1 472 . 1 1 42 42 ASP N N 15 127.962 0.051 . 1 . . . . 42 Asp N . 19446 1 473 . 1 1 43 43 LYS H H 1 8.919 0.007 . 1 . . . . 43 Lys H . 19446 1 474 . 1 1 43 43 LYS HA H 1 4.001 0.001 . 1 . . . . 43 Lys HA . 19446 1 475 . 1 1 43 43 LYS HB3 H 1 1.918 0.000 . 1 . . . . 43 Lys HB3 . 19446 1 476 . 1 1 43 43 LYS HG3 H 1 1.533 0.000 . 1 . . . . 43 Lys HG3 . 19446 1 477 . 1 1 43 43 LYS C C 13 176.738 0.010 . 1 . . . . 43 Lys C . 19446 1 478 . 1 1 43 43 LYS CA C 13 58.053 0.037 . 1 . . . . 43 Lys CA . 19446 1 479 . 1 1 43 43 LYS CB C 13 31.552 0.054 . 1 . . . . 43 Lys CB . 19446 1 480 . 1 1 43 43 LYS CG C 13 24.064 0.035 . 1 . . . . 43 Lys CG . 19446 1 481 . 1 1 43 43 LYS CD C 13 28.228 0.036 . 1 . . . . 43 Lys CD . 19446 1 482 . 1 1 43 43 LYS CE C 13 44.163 0.000 . 1 . . . . 43 Lys CE . 19446 1 483 . 1 1 43 43 LYS N N 15 128.436 0.017 . 1 . . . . 43 Lys N . 19446 1 484 . 1 1 44 44 ALA H H 1 8.357 0.004 . 1 . . . . 44 Ala H . 19446 1 485 . 1 1 44 44 ALA HA H 1 4.307 0.002 . 1 . . . . 44 Ala HA . 19446 1 486 . 1 1 44 44 ALA HB1 H 1 1.564 0.000 . 1 . . . . 44 Ala HB1 . 19446 1 487 . 1 1 44 44 ALA HB2 H 1 1.564 0.000 . 1 . . . . 44 Ala HB2 . 19446 1 488 . 1 1 44 44 ALA HB3 H 1 1.564 0.000 . 1 . . . . 44 Ala HB3 . 19446 1 489 . 1 1 44 44 ALA C C 13 178.653 0.016 . 1 . . . . 44 Ala C . 19446 1 490 . 1 1 44 44 ALA CA C 13 53.635 0.014 . 1 . . . . 44 Ala CA . 19446 1 491 . 1 1 44 44 ALA CB C 13 18.269 0.061 . 1 . . . . 44 Ala CB . 19446 1 492 . 1 1 44 44 ALA N N 15 120.002 0.040 . 1 . . . . 44 Ala N . 19446 1 493 . 1 1 45 45 THR HA H 1 4.482 0.003 . 1 . . . . 45 Thr HA . 19446 1 494 . 1 1 45 45 THR HB H 1 4.341 0.001 . 1 . . . . 45 Thr HB . 19446 1 495 . 1 1 45 45 THR HG21 H 1 1.216 0.002 . 1 . . . . 45 Thr HG21 . 19446 1 496 . 1 1 45 45 THR HG22 H 1 1.216 0.002 . 1 . . . . 45 Thr HG22 . 19446 1 497 . 1 1 45 45 THR HG23 H 1 1.216 0.002 . 1 . . . . 45 Thr HG23 . 19446 1 498 . 1 1 45 45 THR C C 13 175.626 0.015 . 1 . . . . 45 Thr C . 19446 1 499 . 1 1 45 45 THR CA C 13 60.644 0.026 . 1 . . . . 45 Thr CA . 19446 1 500 . 1 1 45 45 THR CB C 13 70.722 0.090 . 1 . . . . 45 Thr CB . 19446 1 501 . 1 1 45 45 THR CG2 C 13 20.183 0.000 . 1 . . . . 45 Thr CG2 . 19446 1 502 . 1 1 46 46 GLY H H 1 8.350 0.007 . 1 . . . . 46 Gly H . 19446 1 503 . 1 1 46 46 GLY HA2 H 1 3.711 0.003 . 2 . . . . 46 Gly HA2 . 19446 1 504 . 1 1 46 46 GLY HA3 H 1 4.189 0.008 . 2 . . . . 46 Gly HA3 . 19446 1 505 . 1 1 46 46 GLY C C 13 172.800 0.027 . 1 . . . . 46 Gly C . 19446 1 506 . 1 1 46 46 GLY CA C 13 44.775 0.060 . 1 . . . . 46 Gly CA . 19446 1 507 . 1 1 46 46 GLY N N 15 111.488 0.026 . 1 . . . . 46 Gly N . 19446 1 508 . 1 1 47 47 GLU H H 1 7.743 0.006 . 1 . . . . 47 Glu H . 19446 1 509 . 1 1 47 47 GLU HA H 1 4.281 0.004 . 1 . . . . 47 Glu HA . 19446 1 510 . 1 1 47 47 GLU HB2 H 1 1.983 0.000 . 2 . . . . 47 Glu HB2 . 19446 1 511 . 1 1 47 47 GLU HB3 H 1 1.828 0.000 . 2 . . . . 47 Glu HB3 . 19446 1 512 . 1 1 47 47 GLU HG2 H 1 2.339 0.013 . 1 . . . . 47 Glu HG2 . 19446 1 513 . 1 1 47 47 GLU C C 13 174.639 0.035 . 1 . . . . 47 Glu C . 19446 1 514 . 1 1 47 47 GLU CA C 13 54.534 0.030 . 1 . . . . 47 Glu CA . 19446 1 515 . 1 1 47 47 GLU CB C 13 29.301 0.068 . 1 . . . . 47 Glu CB . 19446 1 516 . 1 1 47 47 GLU CG C 13 32.692 0.000 . 1 . . . . 47 Glu CG . 19446 1 517 . 1 1 47 47 GLU N N 15 119.415 0.130 . 1 . . . . 47 Glu N . 19446 1 518 . 1 1 48 48 MET H H 1 8.596 0.006 . 1 . . . . 48 Met H . 19446 1 519 . 1 1 48 48 MET HA H 1 4.758 0.002 . 1 . . . . 48 Met HA . 19446 1 520 . 1 1 48 48 MET HB3 H 1 1.887 0.000 . 1 . . . . 48 Met HB3 . 19446 1 521 . 1 1 48 48 MET HG2 H 1 2.506 0.000 . 1 . . . . 48 Met HG2 . 19446 1 522 . 1 1 48 48 MET HE1 H 1 1.900 0.000 . 1 . . . . 48 Met HE1 . 19446 1 523 . 1 1 48 48 MET HE2 H 1 1.900 0.000 . 1 . . . . 48 Met HE2 . 19446 1 524 . 1 1 48 48 MET HE3 H 1 1.900 0.000 . 1 . . . . 48 Met HE3 . 19446 1 525 . 1 1 48 48 MET C C 13 174.991 0.007 . 1 . . . . 48 Met C . 19446 1 526 . 1 1 48 48 MET CA C 13 53.410 0.019 . 1 . . . . 48 Met CA . 19446 1 527 . 1 1 48 48 MET CB C 13 30.161 0.069 . 1 . . . . 48 Met CB . 19446 1 528 . 1 1 48 48 MET CE C 13 14.815 0.000 . 1 . . . . 48 Met CE . 19446 1 529 . 1 1 48 48 MET N N 15 121.491 0.048 . 1 . . . . 48 Met N . 19446 1 530 . 1 1 49 49 LYS H H 1 8.776 0.006 . 1 . . . . 49 Lys H . 19446 1 531 . 1 1 49 49 LYS HA H 1 4.326 0.003 . 1 . . . . 49 Lys HA . 19446 1 532 . 1 1 49 49 LYS HB2 H 1 1.565 0.000 . 2 . . . . 49 Lys HB2 . 19446 1 533 . 1 1 49 49 LYS HB3 H 1 1.501 0.000 . 2 . . . . 49 Lys HB3 . 19446 1 534 . 1 1 49 49 LYS HG3 H 1 0.325 0.000 . 1 . . . . 49 Lys HG3 . 19446 1 535 . 1 1 49 49 LYS HD3 H 1 1.067 0.001 . 1 . . . . 49 Lys HD3 . 19446 1 536 . 1 1 49 49 LYS C C 13 173.535 0.011 . 1 . . . . 49 Lys C . 19446 1 537 . 1 1 49 49 LYS CA C 13 53.342 0.061 . 1 . . . . 49 Lys CA . 19446 1 538 . 1 1 49 49 LYS CB C 13 33.273 0.025 . 1 . . . . 49 Lys CB . 19446 1 539 . 1 1 49 49 LYS CG C 13 23.600 0.032 . 1 . . . . 49 Lys CG . 19446 1 540 . 1 1 49 49 LYS CD C 13 27.667 0.000 . 1 . . . . 49 Lys CD . 19446 1 541 . 1 1 49 49 LYS N N 15 125.856 0.037 . 1 . . . . 49 Lys N . 19446 1 542 . 1 1 50 50 GLU H H 1 8.037 0.007 . 1 . . . . 50 Glu H . 19446 1 543 . 1 1 50 50 GLU HA H 1 5.136 0.005 . 1 . . . . 50 Glu HA . 19446 1 544 . 1 1 50 50 GLU HB2 H 1 1.852 0.000 . 2 . . . . 50 Glu HB2 . 19446 1 545 . 1 1 50 50 GLU HB3 H 1 1.922 0.000 . 2 . . . . 50 Glu HB3 . 19446 1 546 . 1 1 50 50 GLU HG2 H 1 2.292 0.000 . 1 . . . . 50 Glu HG2 . 19446 1 547 . 1 1 50 50 GLU C C 13 174.445 0.006 . 1 . . . . 50 Glu C . 19446 1 548 . 1 1 50 50 GLU CA C 13 53.756 0.056 . 1 . . . . 50 Glu CA . 19446 1 549 . 1 1 50 50 GLU CB C 13 30.124 0.066 . 1 . . . . 50 Glu CB . 19446 1 550 . 1 1 50 50 GLU CG C 13 31.961 0.007 . 1 . . . . 50 Glu CG . 19446 1 551 . 1 1 50 50 GLU N N 15 118.601 0.059 . 1 . . . . 50 Glu N . 19446 1 552 . 1 1 51 51 GLN H H 1 8.931 0.007 . 1 . . . . 51 Gln H . 19446 1 553 . 1 1 51 51 GLN HA H 1 4.754 0.009 . 1 . . . . 51 Gln HA . 19446 1 554 . 1 1 51 51 GLN HB2 H 1 2.167 0.002 . 2 . . . . 51 Gln HB2 . 19446 1 555 . 1 1 51 51 GLN HB3 H 1 2.182 0.000 . 2 . . . . 51 Gln HB3 . 19446 1 556 . 1 1 51 51 GLN HG2 H 1 2.366 0.000 . 2 . . . . 51 Gln HG2 . 19446 1 557 . 1 1 51 51 GLN HG3 H 1 2.319 0.000 . 2 . . . . 51 Gln HG3 . 19446 1 558 . 1 1 51 51 GLN C C 13 173.462 0.014 . 1 . . . . 51 Gln C . 19446 1 559 . 1 1 51 51 GLN CA C 13 53.944 0.012 . 1 . . . . 51 Gln CA . 19446 1 560 . 1 1 51 51 GLN CB C 13 31.440 0.000 . 1 . . . . 51 Gln CB . 19446 1 561 . 1 1 51 51 GLN CG C 13 32.824 0.000 . 1 . . . . 51 Gln CG . 19446 1 562 . 1 1 51 51 GLN N N 15 122.291 0.037 . 1 . . . . 51 Gln N . 19446 1 563 . 1 1 52 52 THR HA H 1 4.878 0.001 . 1 . . . . 52 Thr HA . 19446 1 564 . 1 1 52 52 THR HB H 1 3.793 0.001 . 1 . . . . 52 Thr HB . 19446 1 565 . 1 1 52 52 THR HG21 H 1 0.544 0.005 . 1 . . . . 52 Thr HG21 . 19446 1 566 . 1 1 52 52 THR HG22 H 1 0.544 0.005 . 1 . . . . 52 Thr HG22 . 19446 1 567 . 1 1 52 52 THR HG23 H 1 0.544 0.005 . 1 . . . . 52 Thr HG23 . 19446 1 568 . 1 1 52 52 THR C C 13 172.601 0.008 . 1 . . . . 52 Thr C . 19446 1 569 . 1 1 52 52 THR CA C 13 61.340 0.059 . 1 . . . . 52 Thr CA . 19446 1 570 . 1 1 52 52 THR CB C 13 69.426 0.071 . 1 . . . . 52 Thr CB . 19446 1 571 . 1 1 52 52 THR CG2 C 13 20.663 0.074 . 1 . . . . 52 Thr CG2 . 19446 1 572 . 1 1 53 53 GLU H H 1 8.788 0.008 . 1 . . . . 53 Glu H . 19446 1 573 . 1 1 53 53 GLU HA H 1 4.566 0.007 . 1 . . . . 53 Glu HA . 19446 1 574 . 1 1 53 53 GLU HB2 H 1 2.103 0.000 . 2 . . . . 53 Glu HB2 . 19446 1 575 . 1 1 53 53 GLU HB3 H 1 1.821 0.000 . 2 . . . . 53 Glu HB3 . 19446 1 576 . 1 1 53 53 GLU C C 13 173.082 0.022 . 1 . . . . 53 Glu C . 19446 1 577 . 1 1 53 53 GLU CA C 13 53.294 0.061 . 1 . . . . 53 Glu CA . 19446 1 578 . 1 1 53 53 GLU CB C 13 30.530 0.088 . 1 . . . . 53 Glu CB . 19446 1 579 . 1 1 53 53 GLU CG C 13 32.807 0.000 . 1 . . . . 53 Glu CG . 19446 1 580 . 1 1 53 53 GLU N N 15 125.736 0.039 . 1 . . . . 53 Glu N . 19446 1 581 . 1 1 54 54 TRP H H 1 8.622 0.008 . 1 . . . . 54 Trp H . 19446 1 582 . 1 1 54 54 TRP HA H 1 5.294 0.004 . 1 . . . . 54 Trp HA . 19446 1 583 . 1 1 54 54 TRP HB2 H 1 2.936 0.007 . 2 . . . . 54 Trp HB2 . 19446 1 584 . 1 1 54 54 TRP HB3 H 1 2.961 0.007 . 2 . . . . 54 Trp HB3 . 19446 1 585 . 1 1 54 54 TRP HD1 H 1 7.147 0.005 . 1 . . . . 54 Trp HD1 . 19446 1 586 . 1 1 54 54 TRP HE1 H 1 10.199 0.005 . 1 . . . . 54 Trp HE1 . 19446 1 587 . 1 1 54 54 TRP HE3 H 1 7.364 0.010 . 1 . . . . 54 Trp HE3 . 19446 1 588 . 1 1 54 54 TRP HZ2 H 1 7.470 0.005 . 1 . . . . 54 Trp HZ2 . 19446 1 589 . 1 1 54 54 TRP HZ3 H 1 6.874 0.005 . 1 . . . . 54 Trp HZ3 . 19446 1 590 . 1 1 54 54 TRP HH2 H 1 7.174 0.006 . 1 . . . . 54 Trp HH2 . 19446 1 591 . 1 1 54 54 TRP C C 13 175.666 0.002 . 1 . . . . 54 Trp C . 19446 1 592 . 1 1 54 54 TRP CA C 13 55.388 0.034 . 1 . . . . 54 Trp CA . 19446 1 593 . 1 1 54 54 TRP CB C 13 30.420 0.110 . 1 . . . . 54 Trp CB . 19446 1 594 . 1 1 54 54 TRP CD1 C 13 124.954 0.790 . 1 . . . . 54 Trp CD1 . 19446 1 595 . 1 1 54 54 TRP CE3 C 13 118.353 0.951 . 1 . . . . 54 Trp CE3 . 19446 1 596 . 1 1 54 54 TRP CZ2 C 13 112.847 0.754 . 1 . . . . 54 Trp CZ2 . 19446 1 597 . 1 1 54 54 TRP CZ3 C 13 119.031 0.039 . 1 . . . . 54 Trp CZ3 . 19446 1 598 . 1 1 54 54 TRP CH2 C 13 121.548 0.000 . 1 . . . . 54 Trp CH2 . 19446 1 599 . 1 1 54 54 TRP N N 15 122.858 0.022 . 1 . . . . 54 Trp N . 19446 1 600 . 1 1 54 54 TRP NE1 N 15 129.431 0.068 . 1 . . . . 54 Trp NE1 . 19446 1 601 . 1 1 55 55 HIS H H 1 9.212 0.007 . 1 . . . . 55 His H . 19446 1 602 . 1 1 55 55 HIS HA H 1 4.899 0.007 . 1 . . . . 55 His HA . 19446 1 603 . 1 1 55 55 HIS HB2 H 1 2.978 0.007 . 2 . . . . 55 His HB2 . 19446 1 604 . 1 1 55 55 HIS HB3 H 1 2.821 0.010 . 2 . . . . 55 His HB3 . 19446 1 605 . 1 1 55 55 HIS HD2 H 1 7.335 0.012 . 1 . . . . 55 His HD2 . 19446 1 606 . 1 1 55 55 HIS HE1 H 1 8.624 0.007 . 1 . . . . 55 His HE1 . 19446 1 607 . 1 1 55 55 HIS C C 13 172.668 0.027 . 1 . . . . 55 His C . 19446 1 608 . 1 1 55 55 HIS CA C 13 53.426 0.053 . 1 . . . . 55 His CA . 19446 1 609 . 1 1 55 55 HIS CB C 13 30.367 0.095 . 1 . . . . 55 His CB . 19446 1 610 . 1 1 55 55 HIS CD2 C 13 119.777 0.062 . 1 . . . . 55 His CD2 . 19446 1 611 . 1 1 55 55 HIS CE1 C 13 134.229 0.000 . 1 . . . . 55 His CE1 . 19446 1 612 . 1 1 55 55 HIS N N 15 117.950 0.050 . 1 . . . . 55 His N . 19446 1 613 . 1 1 56 56 ARG H H 1 9.079 0.010 . 1 . . . . 56 Arg H . 19446 1 614 . 1 1 56 56 ARG HA H 1 4.818 0.004 . 1 . . . . 56 Arg HA . 19446 1 615 . 1 1 56 56 ARG HG3 H 1 1.885 0.000 . 1 . . . . 56 Arg HG3 . 19446 1 616 . 1 1 56 56 ARG C C 13 173.896 0.013 . 1 . . . . 56 Arg C . 19446 1 617 . 1 1 56 56 ARG CA C 13 55.353 0.037 . 1 . . . . 56 Arg CA . 19446 1 618 . 1 1 56 56 ARG CB C 13 30.063 0.038 . 1 . . . . 56 Arg CB . 19446 1 619 . 1 1 56 56 ARG CG C 13 26.698 0.000 . 1 . . . . 56 Arg CG . 19446 1 620 . 1 1 56 56 ARG N N 15 125.639 0.050 . 1 . . . . 56 Arg N . 19446 1 621 . 1 1 57 57 VAL H H 1 8.976 0.005 . 1 . . . . 57 Val H . 19446 1 622 . 1 1 57 57 VAL HA H 1 5.111 0.003 . 1 . . . . 57 Val HA . 19446 1 623 . 1 1 57 57 VAL HB H 1 1.838 0.003 . 1 . . . . 57 Val HB . 19446 1 624 . 1 1 57 57 VAL HG11 H 1 0.749 0.004 . 2 . . . . 57 Val HG11 . 19446 1 625 . 1 1 57 57 VAL HG12 H 1 0.749 0.004 . 2 . . . . 57 Val HG12 . 19446 1 626 . 1 1 57 57 VAL HG13 H 1 0.749 0.004 . 2 . . . . 57 Val HG13 . 19446 1 627 . 1 1 57 57 VAL HG21 H 1 0.699 0.002 . 2 . . . . 57 Val HG21 . 19446 1 628 . 1 1 57 57 VAL HG22 H 1 0.699 0.002 . 2 . . . . 57 Val HG22 . 19446 1 629 . 1 1 57 57 VAL HG23 H 1 0.699 0.002 . 2 . . . . 57 Val HG23 . 19446 1 630 . 1 1 57 57 VAL C C 13 172.556 0.012 . 1 . . . . 57 Val C . 19446 1 631 . 1 1 57 57 VAL CA C 13 59.353 0.068 . 1 . . . . 57 Val CA . 19446 1 632 . 1 1 57 57 VAL CB C 13 33.345 0.138 . 1 . . . . 57 Val CB . 19446 1 633 . 1 1 57 57 VAL CG1 C 13 20.881 0.000 . 2 . . . . 57 Val CG1 . 19446 1 634 . 1 1 57 57 VAL CG2 C 13 20.182 0.065 . 2 . . . . 57 Val CG2 . 19446 1 635 . 1 1 57 57 VAL N N 15 126.641 0.043 . 1 . . . . 57 Val N . 19446 1 636 . 1 1 58 58 VAL H H 1 9.113 0.006 . 1 . . . . 58 Val H . 19446 1 637 . 1 1 58 58 VAL HA H 1 4.833 0.006 . 1 . . . . 58 Val HA . 19446 1 638 . 1 1 58 58 VAL HB H 1 1.813 0.007 . 1 . . . . 58 Val HB . 19446 1 639 . 1 1 58 58 VAL HG11 H 1 0.764 0.004 . 2 . . . . 58 Val HG11 . 19446 1 640 . 1 1 58 58 VAL HG12 H 1 0.764 0.004 . 2 . . . . 58 Val HG12 . 19446 1 641 . 1 1 58 58 VAL HG13 H 1 0.764 0.004 . 2 . . . . 58 Val HG13 . 19446 1 642 . 1 1 58 58 VAL HG21 H 1 0.522 0.004 . 2 . . . . 58 Val HG21 . 19446 1 643 . 1 1 58 58 VAL HG22 H 1 0.522 0.004 . 2 . . . . 58 Val HG22 . 19446 1 644 . 1 1 58 58 VAL HG23 H 1 0.522 0.004 . 2 . . . . 58 Val HG23 . 19446 1 645 . 1 1 58 58 VAL C C 13 173.155 0.023 . 1 . . . . 58 Val C . 19446 1 646 . 1 1 58 58 VAL CA C 13 59.897 0.052 . 1 . . . . 58 Val CA . 19446 1 647 . 1 1 58 58 VAL CB C 13 33.267 0.106 . 1 . . . . 58 Val CB . 19446 1 648 . 1 1 58 58 VAL CG1 C 13 19.999 0.089 . 2 . . . . 58 Val CG1 . 19446 1 649 . 1 1 58 58 VAL CG2 C 13 21.393 0.018 . 2 . . . . 58 Val CG2 . 19446 1 650 . 1 1 58 58 VAL N N 15 127.672 0.064 . 1 . . . . 58 Val N . 19446 1 651 . 1 1 59 59 LEU H H 1 8.856 0.005 . 1 . . . . 59 Leu H . 19446 1 652 . 1 1 59 59 LEU C C 13 174.225 0.000 . 1 . . . . 59 Leu C . 19446 1 653 . 1 1 59 59 LEU CA C 13 52.365 0.000 . 1 . . . . 59 Leu CA . 19446 1 654 . 1 1 59 59 LEU CB C 13 43.505 0.000 . 1 . . . . 59 Leu CB . 19446 1 655 . 1 1 59 59 LEU N N 15 124.332 0.040 . 1 . . . . 59 Leu N . 19446 1 656 . 1 1 60 60 PHE H H 1 8.376 0.004 . 1 . . . . 60 Phe H . 19446 1 657 . 1 1 60 60 PHE HA H 1 5.212 0.006 . 1 . . . . 60 Phe HA . 19446 1 658 . 1 1 60 60 PHE HB2 H 1 2.863 0.004 . 2 . . . . 60 Phe HB2 . 19446 1 659 . 1 1 60 60 PHE HB3 H 1 3.227 0.004 . 2 . . . . 60 Phe HB3 . 19446 1 660 . 1 1 60 60 PHE HD1 H 1 7.241 0.005 . 3 . . . . 60 Phe HD1 . 19446 1 661 . 1 1 60 60 PHE HD2 H 1 7.241 0.005 . 3 . . . . 60 Phe HD2 . 19446 1 662 . 1 1 60 60 PHE HE1 H 1 7.179 0.008 . 3 . . . . 60 Phe HE1 . 19446 1 663 . 1 1 60 60 PHE HE2 H 1 7.179 0.008 . 3 . . . . 60 Phe HE2 . 19446 1 664 . 1 1 60 60 PHE HZ H 1 7.123 0.003 . 1 . . . . 60 Phe HZ . 19446 1 665 . 1 1 60 60 PHE C C 13 176.681 0.005 . 1 . . . . 60 Phe C . 19446 1 666 . 1 1 60 60 PHE CA C 13 55.899 0.077 . 1 . . . . 60 Phe CA . 19446 1 667 . 1 1 60 60 PHE CB C 13 42.393 0.048 . 1 . . . . 60 Phe CB . 19446 1 668 . 1 1 60 60 PHE CD1 C 13 130.219 0.780 . 3 . . . . 60 Phe CD1 . 19446 1 669 . 1 1 60 60 PHE CD2 C 13 130.219 0.780 . 3 . . . . 60 Phe CD2 . 19446 1 670 . 1 1 60 60 PHE CE1 C 13 129.406 0.827 . 3 . . . . 60 Phe CE1 . 19446 1 671 . 1 1 60 60 PHE CE2 C 13 129.406 0.827 . 3 . . . . 60 Phe CE2 . 19446 1 672 . 1 1 60 60 PHE CZ C 13 127.882 0.921 . 1 . . . . 60 Phe CZ . 19446 1 673 . 1 1 60 60 PHE N N 15 118.554 0.018 . 1 . . . . 60 Phe N . 19446 1 674 . 1 1 61 61 GLY H H 1 8.944 0.005 . 1 . . . . 61 Gly H . 19446 1 675 . 1 1 61 61 GLY HA2 H 1 4.123 0.000 . 2 . . . . 61 Gly HA2 . 19446 1 676 . 1 1 61 61 GLY HA3 H 1 4.065 0.012 . 2 . . . . 61 Gly HA3 . 19446 1 677 . 1 1 61 61 GLY C C 13 175.341 0.016 . 1 . . . . 61 Gly C . 19446 1 678 . 1 1 61 61 GLY CA C 13 45.484 0.046 . 1 . . . . 61 Gly CA . 19446 1 679 . 1 1 61 61 GLY N N 15 109.152 0.050 . 1 . . . . 61 Gly N . 19446 1 680 . 1 1 62 62 LYS H H 1 9.096 0.007 . 1 . . . . 62 Lys H . 19446 1 681 . 1 1 62 62 LYS HA H 1 4.111 0.006 . 1 . . . . 62 Lys HA . 19446 1 682 . 1 1 62 62 LYS HB3 H 1 1.982 0.012 . 1 . . . . 62 Lys HB3 . 19446 1 683 . 1 1 62 62 LYS HG3 H 1 1.575 0.000 . 1 . . . . 62 Lys HG3 . 19446 1 684 . 1 1 62 62 LYS C C 13 177.862 0.006 . 1 . . . . 62 Lys C . 19446 1 685 . 1 1 62 62 LYS CA C 13 58.200 0.055 . 1 . . . . 62 Lys CA . 19446 1 686 . 1 1 62 62 LYS CB C 13 31.071 0.071 . 1 . . . . 62 Lys CB . 19446 1 687 . 1 1 62 62 LYS CG C 13 23.896 0.051 . 1 . . . . 62 Lys CG . 19446 1 688 . 1 1 62 62 LYS CD C 13 27.841 0.006 . 1 . . . . 62 Lys CD . 19446 1 689 . 1 1 62 62 LYS N N 15 126.668 0.041 . 1 . . . . 62 Lys N . 19446 1 690 . 1 1 63 63 LEU H H 1 7.990 0.007 . 1 . . . . 63 Leu H . 19446 1 691 . 1 1 63 63 LEU HA H 1 4.096 0.004 . 1 . . . . 63 Leu HA . 19446 1 692 . 1 1 63 63 LEU HB2 H 1 1.941 0.006 . 2 . . . . 63 Leu HB2 . 19446 1 693 . 1 1 63 63 LEU HB3 H 1 1.417 0.003 . 2 . . . . 63 Leu HB3 . 19446 1 694 . 1 1 63 63 LEU HG H 1 1.002 0.006 . 1 . . . . 63 Leu HG . 19446 1 695 . 1 1 63 63 LEU HD11 H 1 1.011 0.000 . 1 . . . . 63 Leu HD11 . 19446 1 696 . 1 1 63 63 LEU HD12 H 1 1.011 0.000 . 1 . . . . 63 Leu HD12 . 19446 1 697 . 1 1 63 63 LEU HD13 H 1 1.011 0.000 . 1 . . . . 63 Leu HD13 . 19446 1 698 . 1 1 63 63 LEU C C 13 177.702 0.021 . 1 . . . . 63 Leu C . 19446 1 699 . 1 1 63 63 LEU CA C 13 56.584 0.060 . 1 . . . . 63 Leu CA . 19446 1 700 . 1 1 63 63 LEU CB C 13 40.955 0.078 . 1 . . . . 63 Leu CB . 19446 1 701 . 1 1 63 63 LEU CG C 13 25.037 0.103 . 1 . . . . 63 Leu CG . 19446 1 702 . 1 1 63 63 LEU CD1 C 13 22.195 0.036 . 2 . . . . 63 Leu CD1 . 19446 1 703 . 1 1 63 63 LEU CD2 C 13 22.433 0.000 . 2 . . . . 63 Leu CD2 . 19446 1 704 . 1 1 63 63 LEU N N 15 115.529 0.056 . 1 . . . . 63 Leu N . 19446 1 705 . 1 1 64 64 ALA H H 1 7.043 0.006 . 1 . . . . 64 Ala H . 19446 1 706 . 1 1 64 64 ALA HA H 1 3.717 0.004 . 1 . . . . 64 Ala HA . 19446 1 707 . 1 1 64 64 ALA HB1 H 1 1.194 0.007 . 1 . . . . 64 Ala HB1 . 19446 1 708 . 1 1 64 64 ALA HB2 H 1 1.194 0.007 . 1 . . . . 64 Ala HB2 . 19446 1 709 . 1 1 64 64 ALA HB3 H 1 1.194 0.007 . 1 . . . . 64 Ala HB3 . 19446 1 710 . 1 1 64 64 ALA C C 13 178.089 0.009 . 1 . . . . 64 Ala C . 19446 1 711 . 1 1 64 64 ALA CA C 13 53.636 0.026 . 1 . . . . 64 Ala CA . 19446 1 712 . 1 1 64 64 ALA CB C 13 17.470 0.068 . 1 . . . . 64 Ala CB . 19446 1 713 . 1 1 64 64 ALA N N 15 120.298 0.061 . 1 . . . . 64 Ala N . 19446 1 714 . 1 1 65 65 GLU H H 1 7.397 0.006 . 1 . . . . 65 Glu H . 19446 1 715 . 1 1 65 65 GLU HA H 1 3.949 0.001 . 1 . . . . 65 Glu HA . 19446 1 716 . 1 1 65 65 GLU C C 13 178.352 0.039 . 1 . . . . 65 Glu C . 19446 1 717 . 1 1 65 65 GLU CA C 13 57.833 0.043 . 1 . . . . 65 Glu CA . 19446 1 718 . 1 1 65 65 GLU CB C 13 27.160 0.000 . 1 . . . . 65 Glu CB . 19446 1 719 . 1 1 65 65 GLU N N 15 116.960 0.102 . 1 . . . . 65 Glu N . 19446 1 720 . 1 1 66 66 VAL H H 1 8.231 0.009 . 1 . . . . 66 Val H . 19446 1 721 . 1 1 66 66 VAL HA H 1 3.818 0.004 . 1 . . . . 66 Val HA . 19446 1 722 . 1 1 66 66 VAL HB H 1 2.139 0.001 . 1 . . . . 66 Val HB . 19446 1 723 . 1 1 66 66 VAL HG11 H 1 1.151 0.000 . 2 . . . . 66 Val HG11 . 19446 1 724 . 1 1 66 66 VAL HG12 H 1 1.151 0.000 . 2 . . . . 66 Val HG12 . 19446 1 725 . 1 1 66 66 VAL HG13 H 1 1.151 0.000 . 2 . . . . 66 Val HG13 . 19446 1 726 . 1 1 66 66 VAL HG21 H 1 1.005 0.003 . 2 . . . . 66 Val HG21 . 19446 1 727 . 1 1 66 66 VAL HG22 H 1 1.005 0.003 . 2 . . . . 66 Val HG22 . 19446 1 728 . 1 1 66 66 VAL HG23 H 1 1.005 0.003 . 2 . . . . 66 Val HG23 . 19446 1 729 . 1 1 66 66 VAL C C 13 177.420 0.021 . 1 . . . . 66 Val C . 19446 1 730 . 1 1 66 66 VAL CA C 13 65.463 0.062 . 1 . . . . 66 Val CA . 19446 1 731 . 1 1 66 66 VAL CB C 13 30.927 0.041 . 1 . . . . 66 Val CB . 19446 1 732 . 1 1 66 66 VAL CG1 C 13 21.164 0.013 . 2 . . . . 66 Val CG1 . 19446 1 733 . 1 1 66 66 VAL CG2 C 13 20.861 0.019 . 2 . . . . 66 Val CG2 . 19446 1 734 . 1 1 66 66 VAL N N 15 120.511 0.039 . 1 . . . . 66 Val N . 19446 1 735 . 1 1 67 67 ALA H H 1 8.074 0.006 . 1 . . . . 67 Ala H . 19446 1 736 . 1 1 67 67 ALA HA H 1 3.912 0.003 . 1 . . . . 67 Ala HA . 19446 1 737 . 1 1 67 67 ALA HB1 H 1 1.266 0.000 . 1 . . . . 67 Ala HB1 . 19446 1 738 . 1 1 67 67 ALA HB2 H 1 1.266 0.000 . 1 . . . . 67 Ala HB2 . 19446 1 739 . 1 1 67 67 ALA HB3 H 1 1.266 0.000 . 1 . . . . 67 Ala HB3 . 19446 1 740 . 1 1 67 67 ALA C C 13 177.697 0.013 . 1 . . . . 67 Ala C . 19446 1 741 . 1 1 67 67 ALA CA C 13 54.092 0.027 . 1 . . . . 67 Ala CA . 19446 1 742 . 1 1 67 67 ALA CB C 13 17.393 0.064 . 1 . . . . 67 Ala CB . 19446 1 743 . 1 1 67 67 ALA N N 15 120.627 0.044 . 1 . . . . 67 Ala N . 19446 1 744 . 1 1 68 68 SER H H 1 7.748 0.003 . 1 . . . . 68 Ser H . 19446 1 745 . 1 1 68 68 SER HB3 H 1 3.943 0.000 . 1 . . . . 68 Ser HB3 . 19446 1 746 . 1 1 68 68 SER C C 13 175.413 0.023 . 1 . . . . 68 Ser C . 19446 1 747 . 1 1 68 68 SER CA C 13 59.825 0.038 . 1 . . . . 68 Ser CA . 19446 1 748 . 1 1 68 68 SER CB C 13 62.312 0.070 . 1 . . . . 68 Ser CB . 19446 1 749 . 1 1 68 68 SER N N 15 109.165 0.043 . 1 . . . . 68 Ser N . 19446 1 750 . 1 1 69 69 GLU H H 1 7.722 0.007 . 1 . . . . 69 Glu H . 19446 1 751 . 1 1 69 69 GLU HA H 1 4.047 0.003 . 1 . . . . 69 Glu HA . 19446 1 752 . 1 1 69 69 GLU HB2 H 1 1.404 0.002 . 2 . . . . 69 Glu HB2 . 19446 1 753 . 1 1 69 69 GLU HB3 H 1 1.865 0.007 . 2 . . . . 69 Glu HB3 . 19446 1 754 . 1 1 69 69 GLU HG2 H 1 1.771 0.006 . 2 . . . . 69 Glu HG2 . 19446 1 755 . 1 1 69 69 GLU HG3 H 1 2.209 0.003 . 2 . . . . 69 Glu HG3 . 19446 1 756 . 1 1 69 69 GLU C C 13 176.981 0.008 . 1 . . . . 69 Glu C . 19446 1 757 . 1 1 69 69 GLU CA C 13 57.090 0.027 . 1 . . . . 69 Glu CA . 19446 1 758 . 1 1 69 69 GLU CB C 13 28.350 0.065 . 1 . . . . 69 Glu CB . 19446 1 759 . 1 1 69 69 GLU CG C 13 31.927 0.041 . 1 . . . . 69 Glu CG . 19446 1 760 . 1 1 69 69 GLU N N 15 118.669 0.061 . 1 . . . . 69 Glu N . 19446 1 761 . 1 1 70 70 TYR H H 1 7.984 0.004 . 1 . . . . 70 Tyr H . 19446 1 762 . 1 1 70 70 TYR HA H 1 4.767 0.003 . 1 . . . . 70 Tyr HA . 19446 1 763 . 1 1 70 70 TYR HB2 H 1 2.682 0.006 . 2 . . . . 70 Tyr HB2 . 19446 1 764 . 1 1 70 70 TYR HB3 H 1 3.244 0.004 . 2 . . . . 70 Tyr HB3 . 19446 1 765 . 1 1 70 70 TYR HD1 H 1 7.308 0.006 . 3 . . . . 70 Tyr HD1 . 19446 1 766 . 1 1 70 70 TYR HD2 H 1 7.308 0.006 . 3 . . . . 70 Tyr HD2 . 19446 1 767 . 1 1 70 70 TYR HE1 H 1 6.805 0.007 . 3 . . . . 70 Tyr HE1 . 19446 1 768 . 1 1 70 70 TYR HE2 H 1 6.805 0.007 . 3 . . . . 70 Tyr HE2 . 19446 1 769 . 1 1 70 70 TYR C C 13 175.281 0.018 . 1 . . . . 70 Tyr C . 19446 1 770 . 1 1 70 70 TYR CA C 13 58.463 0.020 . 1 . . . . 70 Tyr CA . 19446 1 771 . 1 1 70 70 TYR CB C 13 41.034 0.066 . 1 . . . . 70 Tyr CB . 19446 1 772 . 1 1 70 70 TYR CD1 C 13 131.564 0.826 . 3 . . . . 70 Tyr CD1 . 19446 1 773 . 1 1 70 70 TYR CD2 C 13 131.564 0.826 . 3 . . . . 70 Tyr CD2 . 19446 1 774 . 1 1 70 70 TYR CE1 C 13 115.782 0.817 . 3 . . . . 70 Tyr CE1 . 19446 1 775 . 1 1 70 70 TYR CE2 C 13 115.782 0.817 . 3 . . . . 70 Tyr CE2 . 19446 1 776 . 1 1 70 70 TYR N N 15 112.587 0.062 . 1 . . . . 70 Tyr N . 19446 1 777 . 1 1 71 71 LEU H H 1 8.140 0.005 . 1 . . . . 71 Leu H . 19446 1 778 . 1 1 71 71 LEU HA H 1 4.696 0.006 . 1 . . . . 71 Leu HA . 19446 1 779 . 1 1 71 71 LEU HG H 1 1.361 0.000 . 1 . . . . 71 Leu HG . 19446 1 780 . 1 1 71 71 LEU HD11 H 1 0.909 0.000 . 1 . . . . 71 Leu HD11 . 19446 1 781 . 1 1 71 71 LEU HD12 H 1 0.909 0.000 . 1 . . . . 71 Leu HD12 . 19446 1 782 . 1 1 71 71 LEU HD13 H 1 0.909 0.000 . 1 . . . . 71 Leu HD13 . 19446 1 783 . 1 1 71 71 LEU C C 13 174.555 0.013 . 1 . . . . 71 Leu C . 19446 1 784 . 1 1 71 71 LEU CA C 13 53.494 0.095 . 1 . . . . 71 Leu CA . 19446 1 785 . 1 1 71 71 LEU CB C 13 42.192 0.029 . 1 . . . . 71 Leu CB . 19446 1 786 . 1 1 71 71 LEU CG C 13 26.063 0.000 . 1 . . . . 71 Leu CG . 19446 1 787 . 1 1 71 71 LEU CD1 C 13 18.438 0.000 . 1 . . . . 71 Leu CD1 . 19446 1 788 . 1 1 71 71 LEU N N 15 117.531 0.066 . 1 . . . . 71 Leu N . 19446 1 789 . 1 1 72 72 ARG H H 1 8.340 0.006 . 1 . . . . 72 Arg H . 19446 1 790 . 1 1 72 72 ARG HA H 1 4.732 0.000 . 1 . . . . 72 Arg HA . 19446 1 791 . 1 1 72 72 ARG HB2 H 1 2.034 0.000 . 1 . . . . 72 Arg HB2 . 19446 1 792 . 1 1 72 72 ARG HG3 H 1 1.691 0.000 . 1 . . . . 72 Arg HG3 . 19446 1 793 . 1 1 72 72 ARG C C 13 173.793 0.023 . 1 . . . . 72 Arg C . 19446 1 794 . 1 1 72 72 ARG CA C 13 51.976 0.011 . 1 . . . . 72 Arg CA . 19446 1 795 . 1 1 72 72 ARG CB C 13 34.263 0.070 . 1 . . . . 72 Arg CB . 19446 1 796 . 1 1 72 72 ARG CG C 13 25.653 0.000 . 1 . . . . 72 Arg CG . 19446 1 797 . 1 1 72 72 ARG N N 15 118.110 0.046 . 1 . . . . 72 Arg N . 19446 1 798 . 1 1 73 73 LYS H H 1 8.941 0.011 . 1 . . . . 73 Lys H . 19446 1 799 . 1 1 73 73 LYS HA H 1 3.372 0.004 . 1 . . . . 73 Lys HA . 19446 1 800 . 1 1 73 73 LYS HB2 H 1 1.561 0.005 . 2 . . . . 73 Lys HB2 . 19446 1 801 . 1 1 73 73 LYS HB3 H 1 1.749 0.011 . 2 . . . . 73 Lys HB3 . 19446 1 802 . 1 1 73 73 LYS HG2 H 1 1.279 0.003 . 2 . . . . 73 Lys HG2 . 19446 1 803 . 1 1 73 73 LYS HG3 H 1 1.143 0.007 . 2 . . . . 73 Lys HG3 . 19446 1 804 . 1 1 73 73 LYS HD2 H 1 1.139 0.007 . 2 . . . . 73 Lys HD2 . 19446 1 805 . 1 1 73 73 LYS HD3 H 1 1.911 0.004 . 2 . . . . 73 Lys HD3 . 19446 1 806 . 1 1 73 73 LYS HE3 H 1 3.045 0.003 . 1 . . . . 73 Lys HE3 . 19446 1 807 . 1 1 73 73 LYS C C 13 175.940 0.007 . 1 . . . . 73 Lys C . 19446 1 808 . 1 1 73 73 LYS CA C 13 58.642 0.060 . 1 . . . . 73 Lys CA . 19446 1 809 . 1 1 73 73 LYS CB C 13 31.555 0.036 . 1 . . . . 73 Lys CB . 19446 1 810 . 1 1 73 73 LYS CG C 13 23.581 0.087 . 1 . . . . 73 Lys CG . 19446 1 811 . 1 1 73 73 LYS CD C 13 28.771 0.024 . 1 . . . . 73 Lys CD . 19446 1 812 . 1 1 73 73 LYS CE C 13 41.152 0.074 . 1 . . . . 73 Lys CE . 19446 1 813 . 1 1 73 73 LYS N N 15 120.901 0.032 . 1 . . . . 73 Lys N . 19446 1 814 . 1 1 74 74 GLY H H 1 8.949 0.007 . 1 . . . . 74 Gly H . 19446 1 815 . 1 1 74 74 GLY HA2 H 1 3.747 0.001 . 2 . . . . 74 Gly HA2 . 19446 1 816 . 1 1 74 74 GLY HA3 H 1 4.566 0.006 . 2 . . . . 74 Gly HA3 . 19446 1 817 . 1 1 74 74 GLY C C 13 174.307 0.018 . 1 . . . . 74 Gly C . 19446 1 818 . 1 1 74 74 GLY CA C 13 44.239 0.058 . 1 . . . . 74 Gly CA . 19446 1 819 . 1 1 74 74 GLY N N 15 115.802 0.038 . 1 . . . . 74 Gly N . 19446 1 820 . 1 1 75 75 SER H H 1 8.902 0.003 . 1 . . . . 75 Ser H . 19446 1 821 . 1 1 75 75 SER HA H 1 4.425 0.007 . 1 . . . . 75 Ser HA . 19446 1 822 . 1 1 75 75 SER HB3 H 1 4.064 0.000 . 1 . . . . 75 Ser HB3 . 19446 1 823 . 1 1 75 75 SER C C 13 171.519 0.010 . 1 . . . . 75 Ser C . 19446 1 824 . 1 1 75 75 SER CA C 13 60.601 0.093 . 1 . . . . 75 Ser CA . 19446 1 825 . 1 1 75 75 SER CB C 13 63.427 0.053 . 1 . . . . 75 Ser CB . 19446 1 826 . 1 1 75 75 SER N N 15 119.373 0.046 . 1 . . . . 75 Ser N . 19446 1 827 . 1 1 76 76 GLN H H 1 8.923 0.010 . 1 . . . . 76 Gln H . 19446 1 828 . 1 1 76 76 GLN HA H 1 5.131 0.003 . 1 . . . . 76 Gln HA . 19446 1 829 . 1 1 76 76 GLN HB2 H 1 2.109 0.000 . 2 . . . . 76 Gln HB2 . 19446 1 830 . 1 1 76 76 GLN HB3 H 1 1.934 0.003 . 2 . . . . 76 Gln HB3 . 19446 1 831 . 1 1 76 76 GLN HG2 H 1 2.336 0.002 . 2 . . . . 76 Gln HG2 . 19446 1 832 . 1 1 76 76 GLN HG3 H 1 2.184 0.003 . 2 . . . . 76 Gln HG3 . 19446 1 833 . 1 1 76 76 GLN HE21 H 1 7.245 0.002 . 1 . . . . 76 Gln HE21 . 19446 1 834 . 1 1 76 76 GLN HE22 H 1 6.767 0.004 . 1 . . . . 76 Gln HE22 . 19446 1 835 . 1 1 76 76 GLN C C 13 175.028 0.010 . 1 . . . . 76 Gln C . 19446 1 836 . 1 1 76 76 GLN CA C 13 54.108 0.069 . 1 . . . . 76 Gln CA . 19446 1 837 . 1 1 76 76 GLN CB C 13 29.503 0.058 . 1 . . . . 76 Gln CB . 19446 1 838 . 1 1 76 76 GLN CG C 13 33.341 0.074 . 1 . . . . 76 Gln CG . 19446 1 839 . 1 1 76 76 GLN N N 15 124.821 0.034 . 1 . . . . 76 Gln N . 19446 1 840 . 1 1 76 76 GLN NE2 N 15 110.289 0.035 . 1 . . . . 76 Gln NE2 . 19446 1 841 . 1 1 77 77 VAL H H 1 8.999 0.007 . 1 . . . . 77 Val H . 19446 1 842 . 1 1 77 77 VAL HA H 1 5.153 0.004 . 1 . . . . 77 Val HA . 19446 1 843 . 1 1 77 77 VAL HB H 1 1.928 0.003 . 1 . . . . 77 Val HB . 19446 1 844 . 1 1 77 77 VAL HG11 H 1 0.841 0.000 . 2 . . . . 77 Val HG11 . 19446 1 845 . 1 1 77 77 VAL HG12 H 1 0.841 0.000 . 2 . . . . 77 Val HG12 . 19446 1 846 . 1 1 77 77 VAL HG13 H 1 0.841 0.000 . 2 . . . . 77 Val HG13 . 19446 1 847 . 1 1 77 77 VAL HG21 H 1 0.701 0.004 . 2 . . . . 77 Val HG21 . 19446 1 848 . 1 1 77 77 VAL HG22 H 1 0.701 0.004 . 2 . . . . 77 Val HG22 . 19446 1 849 . 1 1 77 77 VAL HG23 H 1 0.701 0.004 . 2 . . . . 77 Val HG23 . 19446 1 850 . 1 1 77 77 VAL C C 13 170.729 0.013 . 1 . . . . 77 Val C . 19446 1 851 . 1 1 77 77 VAL CA C 13 58.524 0.085 . 1 . . . . 77 Val CA . 19446 1 852 . 1 1 77 77 VAL CB C 13 35.846 0.056 . 1 . . . . 77 Val CB . 19446 1 853 . 1 1 77 77 VAL CG1 C 13 22.329 0.026 . 2 . . . . 77 Val CG1 . 19446 1 854 . 1 1 77 77 VAL CG2 C 13 19.715 0.082 . 2 . . . . 77 Val CG2 . 19446 1 855 . 1 1 77 77 VAL N N 15 119.453 0.042 . 1 . . . . 77 Val N . 19446 1 856 . 1 1 78 78 TYR H H 1 8.675 0.005 . 1 . . . . 78 Tyr H . 19446 1 857 . 1 1 78 78 TYR HA H 1 5.164 0.005 . 1 . . . . 78 Tyr HA . 19446 1 858 . 1 1 78 78 TYR HB2 H 1 2.889 0.018 . 2 . . . . 78 Tyr HB2 . 19446 1 859 . 1 1 78 78 TYR HB3 H 1 2.866 0.013 . 2 . . . . 78 Tyr HB3 . 19446 1 860 . 1 1 78 78 TYR HD1 H 1 6.837 0.004 . 3 . . . . 78 Tyr HD1 . 19446 1 861 . 1 1 78 78 TYR HD2 H 1 6.837 0.004 . 3 . . . . 78 Tyr HD2 . 19446 1 862 . 1 1 78 78 TYR HE1 H 1 6.584 0.003 . 3 . . . . 78 Tyr HE1 . 19446 1 863 . 1 1 78 78 TYR HE2 H 1 6.584 0.003 . 3 . . . . 78 Tyr HE2 . 19446 1 864 . 1 1 78 78 TYR C C 13 173.446 0.013 . 1 . . . . 78 Tyr C . 19446 1 865 . 1 1 78 78 TYR CA C 13 55.315 0.082 . 1 . . . . 78 Tyr CA . 19446 1 866 . 1 1 78 78 TYR CB C 13 40.630 0.054 . 1 . . . . 78 Tyr CB . 19446 1 867 . 1 1 78 78 TYR CD1 C 13 131.083 0.985 . 3 . . . . 78 Tyr CD1 . 19446 1 868 . 1 1 78 78 TYR CD2 C 13 131.083 0.985 . 3 . . . . 78 Tyr CD2 . 19446 1 869 . 1 1 78 78 TYR CE1 C 13 116.788 1.008 . 3 . . . . 78 Tyr CE1 . 19446 1 870 . 1 1 78 78 TYR CE2 C 13 116.788 1.008 . 3 . . . . 78 Tyr CE2 . 19446 1 871 . 1 1 78 78 TYR N N 15 123.342 0.086 . 1 . . . . 78 Tyr N . 19446 1 872 . 1 1 79 79 ILE H H 1 8.934 0.009 . 1 . . . . 79 Ile H . 19446 1 873 . 1 1 79 79 ILE HA H 1 4.795 0.001 . 1 . . . . 79 Ile HA . 19446 1 874 . 1 1 79 79 ILE HB H 1 1.594 0.005 . 1 . . . . 79 Ile HB . 19446 1 875 . 1 1 79 79 ILE HG12 H 1 1.255 0.005 . 2 . . . . 79 Ile HG12 . 19446 1 876 . 1 1 79 79 ILE HG13 H 1 1.110 0.006 . 2 . . . . 79 Ile HG13 . 19446 1 877 . 1 1 79 79 ILE HG21 H 1 0.627 0.010 . 1 . . . . 79 Ile HG21 . 19446 1 878 . 1 1 79 79 ILE HG22 H 1 0.627 0.010 . 1 . . . . 79 Ile HG22 . 19446 1 879 . 1 1 79 79 ILE HG23 H 1 0.627 0.010 . 1 . . . . 79 Ile HG23 . 19446 1 880 . 1 1 79 79 ILE HD11 H 1 0.679 0.000 . 1 . . . . 79 Ile HD11 . 19446 1 881 . 1 1 79 79 ILE HD12 H 1 0.679 0.000 . 1 . . . . 79 Ile HD12 . 19446 1 882 . 1 1 79 79 ILE HD13 H 1 0.679 0.000 . 1 . . . . 79 Ile HD13 . 19446 1 883 . 1 1 79 79 ILE C C 13 172.648 0.025 . 1 . . . . 79 Ile C . 19446 1 884 . 1 1 79 79 ILE CA C 13 56.484 0.028 . 1 . . . . 79 Ile CA . 19446 1 885 . 1 1 79 79 ILE CB C 13 40.961 0.087 . 1 . . . . 79 Ile CB . 19446 1 886 . 1 1 79 79 ILE CG1 C 13 26.304 0.042 . 1 . . . . 79 Ile CG1 . 19446 1 887 . 1 1 79 79 ILE CG2 C 13 17.098 0.071 . 1 . . . . 79 Ile CG2 . 19446 1 888 . 1 1 79 79 ILE CD1 C 13 12.334 0.107 . 1 . . . . 79 Ile CD1 . 19446 1 889 . 1 1 79 79 ILE N N 15 126.773 0.049 . 1 . . . . 79 Ile N . 19446 1 890 . 1 1 80 80 GLU H H 1 8.303 0.009 . 1 . . . . 80 Glu H . 19446 1 891 . 1 1 80 80 GLU HA H 1 5.231 0.005 . 1 . . . . 80 Glu HA . 19446 1 892 . 1 1 80 80 GLU HB2 H 1 2.007 0.000 . 2 . . . . 80 Glu HB2 . 19446 1 893 . 1 1 80 80 GLU HB3 H 1 1.898 0.000 . 2 . . . . 80 Glu HB3 . 19446 1 894 . 1 1 80 80 GLU HG2 H 1 2.268 0.000 . 1 . . . . 80 Glu HG2 . 19446 1 895 . 1 1 80 80 GLU C C 13 174.531 0.000 . 1 . . . . 80 Glu C . 19446 1 896 . 1 1 80 80 GLU CA C 13 53.437 0.072 . 1 . . . . 80 Glu CA . 19446 1 897 . 1 1 80 80 GLU CB C 13 30.760 0.086 . 1 . . . . 80 Glu CB . 19446 1 898 . 1 1 80 80 GLU CG C 13 33.616 0.000 . 1 . . . . 80 Glu CG . 19446 1 899 . 1 1 80 80 GLU N N 15 122.796 0.086 . 1 . . . . 80 Glu N . 19446 1 900 . 1 1 81 81 GLY H H 1 8.461 0.004 . 1 . . . . 81 Gly H . 19446 1 901 . 1 1 81 81 GLY HA2 H 1 3.536 0.006 . 2 . . . . 81 Gly HA2 . 19446 1 902 . 1 1 81 81 GLY HA3 H 1 4.736 0.009 . 2 . . . . 81 Gly HA3 . 19446 1 903 . 1 1 81 81 GLY C C 13 170.690 0.005 . 1 . . . . 81 Gly C . 19446 1 904 . 1 1 81 81 GLY CA C 13 44.421 0.038 . 1 . . . . 81 Gly CA . 19446 1 905 . 1 1 81 81 GLY N N 15 109.021 0.038 . 1 . . . . 81 Gly N . 19446 1 906 . 1 1 82 82 GLN H H 1 8.671 0.005 . 1 . . . . 82 Gln H . 19446 1 907 . 1 1 82 82 GLN HA H 1 4.996 0.004 . 1 . . . . 82 Gln HA . 19446 1 908 . 1 1 82 82 GLN HB2 H 1 2.059 0.000 . 2 . . . . 82 Gln HB2 . 19446 1 909 . 1 1 82 82 GLN HB3 H 1 1.956 0.000 . 2 . . . . 82 Gln HB3 . 19446 1 910 . 1 1 82 82 GLN HG3 H 1 2.379 0.001 . 1 . . . . 82 Gln HG3 . 19446 1 911 . 1 1 82 82 GLN HE21 H 1 6.919 0.004 . 1 . . . . 82 Gln HE21 . 19446 1 912 . 1 1 82 82 GLN HE22 H 1 7.576 0.002 . 1 . . . . 82 Gln HE22 . 19446 1 913 . 1 1 82 82 GLN C C 13 174.021 0.015 . 1 . . . . 82 Gln C . 19446 1 914 . 1 1 82 82 GLN CA C 13 53.214 0.114 . 1 . . . . 82 Gln CA . 19446 1 915 . 1 1 82 82 GLN CB C 13 31.332 0.054 . 1 . . . . 82 Gln CB . 19446 1 916 . 1 1 82 82 GLN CG C 13 33.188 0.003 . 1 . . . . 82 Gln CG . 19446 1 917 . 1 1 82 82 GLN N N 15 119.257 0.041 . 1 . . . . 82 Gln N . 19446 1 918 . 1 1 82 82 GLN NE2 N 15 111.746 0.043 . 1 . . . . 82 Gln NE2 . 19446 1 919 . 1 1 83 83 LEU H H 1 8.859 0.007 . 1 . . . . 83 Leu H . 19446 1 920 . 1 1 83 83 LEU HA H 1 4.810 0.009 . 1 . . . . 83 Leu HA . 19446 1 921 . 1 1 83 83 LEU HB2 H 1 1.676 0.019 . 2 . . . . 83 Leu HB2 . 19446 1 922 . 1 1 83 83 LEU HB3 H 1 1.518 0.009 . 2 . . . . 83 Leu HB3 . 19446 1 923 . 1 1 83 83 LEU HD11 H 1 0.861 0.019 . 2 . . . . 83 Leu HD11 . 19446 1 924 . 1 1 83 83 LEU HD12 H 1 0.861 0.019 . 2 . . . . 83 Leu HD12 . 19446 1 925 . 1 1 83 83 LEU HD13 H 1 0.861 0.019 . 2 . . . . 83 Leu HD13 . 19446 1 926 . 1 1 83 83 LEU HD21 H 1 0.833 0.001 . 2 . . . . 83 Leu HD21 . 19446 1 927 . 1 1 83 83 LEU HD22 H 1 0.833 0.001 . 2 . . . . 83 Leu HD22 . 19446 1 928 . 1 1 83 83 LEU HD23 H 1 0.833 0.001 . 2 . . . . 83 Leu HD23 . 19446 1 929 . 1 1 83 83 LEU C C 13 176.041 0.039 . 1 . . . . 83 Leu C . 19446 1 930 . 1 1 83 83 LEU CA C 13 54.389 0.046 . 1 . . . . 83 Leu CA . 19446 1 931 . 1 1 83 83 LEU CB C 13 42.535 0.081 . 1 . . . . 83 Leu CB . 19446 1 932 . 1 1 83 83 LEU CG C 13 26.158 0.040 . 1 . . . . 83 Leu CG . 19446 1 933 . 1 1 83 83 LEU CD1 C 13 23.788 0.058 . 2 . . . . 83 Leu CD1 . 19446 1 934 . 1 1 83 83 LEU CD2 C 13 23.915 0.086 . 2 . . . . 83 Leu CD2 . 19446 1 935 . 1 1 83 83 LEU N N 15 125.265 0.036 . 1 . . . . 83 Leu N . 19446 1 936 . 1 1 84 84 ARG H H 1 9.329 0.004 . 1 . . . . 84 Arg H . 19446 1 937 . 1 1 84 84 ARG HA H 1 4.832 0.008 . 1 . . . . 84 Arg HA . 19446 1 938 . 1 1 84 84 ARG HB2 H 1 1.787 0.008 . 2 . . . . 84 Arg HB2 . 19446 1 939 . 1 1 84 84 ARG HB3 H 1 1.586 0.000 . 2 . . . . 84 Arg HB3 . 19446 1 940 . 1 1 84 84 ARG HG3 H 1 1.876 0.000 . 1 . . . . 84 Arg HG3 . 19446 1 941 . 1 1 84 84 ARG HD2 H 1 3.183 0.000 . 1 . . . . 84 Arg HD2 . 19446 1 942 . 1 1 84 84 ARG C C 13 173.701 0.006 . 1 . . . . 84 Arg C . 19446 1 943 . 1 1 84 84 ARG CA C 13 54.081 0.056 . 1 . . . . 84 Arg CA . 19446 1 944 . 1 1 84 84 ARG CB C 13 32.992 0.049 . 1 . . . . 84 Arg CB . 19446 1 945 . 1 1 84 84 ARG CG C 13 25.797 0.000 . 1 . . . . 84 Arg CG . 19446 1 946 . 1 1 84 84 ARG CD C 13 42.689 0.000 . 1 . . . . 84 Arg CD . 19446 1 947 . 1 1 84 84 ARG N N 15 125.771 0.028 . 1 . . . . 84 Arg N . 19446 1 948 . 1 1 85 85 THR H H 1 8.801 0.004 . 1 . . . . 85 Thr H . 19446 1 949 . 1 1 85 85 THR HA H 1 5.158 0.004 . 1 . . . . 85 Thr HA . 19446 1 950 . 1 1 85 85 THR HB H 1 4.002 0.002 . 1 . . . . 85 Thr HB . 19446 1 951 . 1 1 85 85 THR HG21 H 1 1.233 0.003 . 1 . . . . 85 Thr HG21 . 19446 1 952 . 1 1 85 85 THR HG22 H 1 1.233 0.003 . 1 . . . . 85 Thr HG22 . 19446 1 953 . 1 1 85 85 THR HG23 H 1 1.233 0.003 . 1 . . . . 85 Thr HG23 . 19446 1 954 . 1 1 85 85 THR C C 13 172.804 0.026 . 1 . . . . 85 Thr C . 19446 1 955 . 1 1 85 85 THR CA C 13 60.828 0.088 . 1 . . . . 85 Thr CA . 19446 1 956 . 1 1 85 85 THR CB C 13 69.571 0.076 . 1 . . . . 85 Thr CB . 19446 1 957 . 1 1 85 85 THR CG2 C 13 20.994 0.000 . 1 . . . . 85 Thr CG2 . 19446 1 958 . 1 1 85 85 THR N N 15 120.341 0.048 . 1 . . . . 85 Thr N . 19446 1 959 . 1 1 86 86 ARG H H 1 9.028 0.003 . 1 . . . . 86 Arg H . 19446 1 960 . 1 1 86 86 ARG HA H 1 4.713 0.009 . 1 . . . . 86 Arg HA . 19446 1 961 . 1 1 86 86 ARG HB2 H 1 1.606 0.000 . 2 . . . . 86 Arg HB2 . 19446 1 962 . 1 1 86 86 ARG HB3 H 1 1.472 0.009 . 2 . . . . 86 Arg HB3 . 19446 1 963 . 1 1 86 86 ARG HG3 H 1 1.772 0.000 . 1 . . . . 86 Arg HG3 . 19446 1 964 . 1 1 86 86 ARG HD2 H 1 2.900 0.000 . 1 . . . . 86 Arg HD2 . 19446 1 965 . 1 1 86 86 ARG C C 13 172.891 0.019 . 1 . . . . 86 Arg C . 19446 1 966 . 1 1 86 86 ARG CA C 13 53.798 0.033 . 1 . . . . 86 Arg CA . 19446 1 967 . 1 1 86 86 ARG CB C 13 32.384 0.149 . 1 . . . . 86 Arg CB . 19446 1 968 . 1 1 86 86 ARG CG C 13 26.253 0.000 . 1 . . . . 86 Arg CG . 19446 1 969 . 1 1 86 86 ARG CD C 13 42.308 0.000 . 1 . . . . 86 Arg CD . 19446 1 970 . 1 1 86 86 ARG N N 15 127.114 0.041 . 1 . . . . 86 Arg N . 19446 1 971 . 1 1 87 87 LYS H H 1 8.599 0.006 . 1 . . . . 87 Lys H . 19446 1 972 . 1 1 87 87 LYS HA H 1 5.024 0.007 . 1 . . . . 87 Lys HA . 19446 1 973 . 1 1 87 87 LYS HB2 H 1 1.618 0.005 . 2 . . . . 87 Lys HB2 . 19446 1 974 . 1 1 87 87 LYS HB3 H 1 1.697 0.003 . 2 . . . . 87 Lys HB3 . 19446 1 975 . 1 1 87 87 LYS HG2 H 1 0.973 0.002 . 2 . . . . 87 Lys HG2 . 19446 1 976 . 1 1 87 87 LYS HG3 H 1 1.069 0.004 . 2 . . . . 87 Lys HG3 . 19446 1 977 . 1 1 87 87 LYS C C 13 174.681 0.021 . 1 . . . . 87 Lys C . 19446 1 978 . 1 1 87 87 LYS CA C 13 54.107 0.049 . 1 . . . . 87 Lys CA . 19446 1 979 . 1 1 87 87 LYS CB C 13 33.571 0.047 . 1 . . . . 87 Lys CB . 19446 1 980 . 1 1 87 87 LYS CG C 13 23.644 0.048 . 1 . . . . 87 Lys CG . 19446 1 981 . 1 1 87 87 LYS CD C 13 28.500 0.017 . 1 . . . . 87 Lys CD . 19446 1 982 . 1 1 87 87 LYS N N 15 126.421 0.046 . 1 . . . . 87 Lys N . 19446 1 983 . 1 1 88 88 TRP H H 1 8.894 0.004 . 1 . . . . 88 Trp H . 19446 1 984 . 1 1 88 88 TRP HA H 1 4.865 0.002 . 1 . . . . 88 Trp HA . 19446 1 985 . 1 1 88 88 TRP HB2 H 1 3.123 0.008 . 2 . . . . 88 Trp HB2 . 19446 1 986 . 1 1 88 88 TRP HB3 H 1 3.241 0.007 . 2 . . . . 88 Trp HB3 . 19446 1 987 . 1 1 88 88 TRP HD1 H 1 6.871 0.004 . 1 . . . . 88 Trp HD1 . 19446 1 988 . 1 1 88 88 TRP HE1 H 1 10.065 0.005 . 1 . . . . 88 Trp HE1 . 19446 1 989 . 1 1 88 88 TRP HE3 H 1 7.276 0.007 . 1 . . . . 88 Trp HE3 . 19446 1 990 . 1 1 88 88 TRP HZ2 H 1 7.267 0.009 . 1 . . . . 88 Trp HZ2 . 19446 1 991 . 1 1 88 88 TRP HZ3 H 1 6.930 0.005 . 1 . . . . 88 Trp HZ3 . 19446 1 992 . 1 1 88 88 TRP HH2 H 1 7.066 0.005 . 1 . . . . 88 Trp HH2 . 19446 1 993 . 1 1 88 88 TRP C C 13 172.091 0.021 . 1 . . . . 88 Trp C . 19446 1 994 . 1 1 88 88 TRP CA C 13 54.853 0.048 . 1 . . . . 88 Trp CA . 19446 1 995 . 1 1 88 88 TRP CB C 13 29.576 0.056 . 1 . . . . 88 Trp CB . 19446 1 996 . 1 1 88 88 TRP CD1 C 13 125.018 0.584 . 1 . . . . 88 Trp CD1 . 19446 1 997 . 1 1 88 88 TRP CE3 C 13 118.150 0.045 . 1 . . . . 88 Trp CE3 . 19446 1 998 . 1 1 88 88 TRP CZ2 C 13 111.779 0.757 . 1 . . . . 88 Trp CZ2 . 19446 1 999 . 1 1 88 88 TRP CZ3 C 13 118.796 0.016 . 1 . . . . 88 Trp CZ3 . 19446 1 1000 . 1 1 88 88 TRP CH2 C 13 122.057 0.904 . 1 . . . . 88 Trp CH2 . 19446 1 1001 . 1 1 88 88 TRP N N 15 126.333 0.055 . 1 . . . . 88 Trp N . 19446 1 1002 . 1 1 88 88 TRP NE1 N 15 130.189 0.122 . 1 . . . . 88 Trp NE1 . 19446 1 1003 . 1 1 89 89 THR H H 1 8.438 0.004 . 1 . . . . 89 Thr H . 19446 1 1004 . 1 1 89 89 THR HA H 1 4.732 0.008 . 1 . . . . 89 Thr HA . 19446 1 1005 . 1 1 89 89 THR HB H 1 3.819 0.002 . 1 . . . . 89 Thr HB . 19446 1 1006 . 1 1 89 89 THR HG21 H 1 1.142 0.002 . 1 . . . . 89 Thr HG21 . 19446 1 1007 . 1 1 89 89 THR HG22 H 1 1.142 0.002 . 1 . . . . 89 Thr HG22 . 19446 1 1008 . 1 1 89 89 THR HG23 H 1 1.142 0.002 . 1 . . . . 89 Thr HG23 . 19446 1 1009 . 1 1 89 89 THR C C 13 173.465 0.009 . 1 . . . . 89 Thr C . 19446 1 1010 . 1 1 89 89 THR CA C 13 60.312 0.054 . 1 . . . . 89 Thr CA . 19446 1 1011 . 1 1 89 89 THR CB C 13 69.473 0.030 . 1 . . . . 89 Thr CB . 19446 1 1012 . 1 1 89 89 THR CG2 C 13 20.612 0.084 . 1 . . . . 89 Thr CG2 . 19446 1 1013 . 1 1 89 89 THR N N 15 116.208 0.104 . 1 . . . . 89 Thr N . 19446 1 1014 . 1 1 90 90 ASP H H 1 8.404 0.005 . 1 . . . . 90 Asp H . 19446 1 1015 . 1 1 90 90 ASP HA H 1 4.764 0.003 . 1 . . . . 90 Asp HA . 19446 1 1016 . 1 1 90 90 ASP HB2 H 1 3.368 0.002 . 2 . . . . 90 Asp HB2 . 19446 1 1017 . 1 1 90 90 ASP HB3 H 1 2.409 0.007 . 2 . . . . 90 Asp HB3 . 19446 1 1018 . 1 1 90 90 ASP C C 13 176.923 0.024 . 1 . . . . 90 Asp C . 19446 1 1019 . 1 1 90 90 ASP CA C 13 51.636 0.057 . 1 . . . . 90 Asp CA . 19446 1 1020 . 1 1 90 90 ASP CB C 13 40.572 0.068 . 1 . . . . 90 Asp CB . 19446 1 1021 . 1 1 90 90 ASP N N 15 125.955 0.124 . 1 . . . . 90 Asp N . 19446 1 1022 . 1 1 91 91 GLN H H 1 8.708 0.006 . 1 . . . . 91 Gln H . 19446 1 1023 . 1 1 91 91 GLN HA H 1 4.166 0.002 . 1 . . . . 91 Gln HA . 19446 1 1024 . 1 1 91 91 GLN HB3 H 1 2.190 0.004 . 1 . . . . 91 Gln HB3 . 19446 1 1025 . 1 1 91 91 GLN HG3 H 1 2.507 0.003 . 1 . . . . 91 Gln HG3 . 19446 1 1026 . 1 1 91 91 GLN HE21 H 1 7.616 0.000 . 1 . . . . 91 Gln HE21 . 19446 1 1027 . 1 1 91 91 GLN HE22 H 1 6.904 0.001 . 1 . . . . 91 Gln HE22 . 19446 1 1028 . 1 1 91 91 GLN C C 13 175.821 0.015 . 1 . . . . 91 Gln C . 19446 1 1029 . 1 1 91 91 GLN CA C 13 57.482 0.038 . 1 . . . . 91 Gln CA . 19446 1 1030 . 1 1 91 91 GLN CB C 13 27.292 0.030 . 1 . . . . 91 Gln CB . 19446 1 1031 . 1 1 91 91 GLN CG C 13 33.026 0.027 . 1 . . . . 91 Gln CG . 19446 1 1032 . 1 1 91 91 GLN N N 15 117.837 0.036 . 1 . . . . 91 Gln N . 19446 1 1033 . 1 1 91 91 GLN NE2 N 15 112.462 0.007 . 1 . . . . 91 Gln NE2 . 19446 1 1034 . 1 1 92 92 SER H H 1 8.337 0.005 . 1 . . . . 92 Ser H . 19446 1 1035 . 1 1 92 92 SER HA H 1 4.568 0.009 . 1 . . . . 92 Ser HA . 19446 1 1036 . 1 1 92 92 SER HB2 H 1 3.949 0.003 . 2 . . . . 92 Ser HB2 . 19446 1 1037 . 1 1 92 92 SER HB3 H 1 4.007 0.014 . 2 . . . . 92 Ser HB3 . 19446 1 1038 . 1 1 92 92 SER C C 13 173.800 0.004 . 1 . . . . 92 Ser C . 19446 1 1039 . 1 1 92 92 SER CA C 13 57.488 0.052 . 1 . . . . 92 Ser CA . 19446 1 1040 . 1 1 92 92 SER CB C 13 63.264 0.115 . 1 . . . . 92 Ser CB . 19446 1 1041 . 1 1 92 92 SER N N 15 115.271 0.064 . 1 . . . . 92 Ser N . 19446 1 1042 . 1 1 93 93 GLY H H 1 8.184 0.005 . 1 . . . . 93 Gly H . 19446 1 1043 . 1 1 93 93 GLY HA2 H 1 3.524 0.004 . 2 . . . . 93 Gly HA2 . 19446 1 1044 . 1 1 93 93 GLY HA3 H 1 4.214 0.004 . 2 . . . . 93 Gly HA3 . 19446 1 1045 . 1 1 93 93 GLY C C 13 173.081 0.045 . 1 . . . . 93 Gly C . 19446 1 1046 . 1 1 93 93 GLY CA C 13 44.286 0.051 . 1 . . . . 93 Gly CA . 19446 1 1047 . 1 1 93 93 GLY N N 15 110.025 0.051 . 1 . . . . 93 Gly N . 19446 1 1048 . 1 1 94 94 GLN H H 1 7.907 0.029 . 1 . . . . 94 Gln H . 19446 1 1049 . 1 1 94 94 GLN HA H 1 4.279 0.003 . 1 . . . . 94 Gln HA . 19446 1 1050 . 1 1 94 94 GLN HB2 H 1 2.177 0.002 . 2 . . . . 94 Gln HB2 . 19446 1 1051 . 1 1 94 94 GLN HB3 H 1 2.248 0.008 . 2 . . . . 94 Gln HB3 . 19446 1 1052 . 1 1 94 94 GLN HG3 H 1 1.902 0.000 . 1 . . . . 94 Gln HG3 . 19446 1 1053 . 1 1 94 94 GLN HE21 H 1 6.822 0.000 . 1 . . . . 94 Gln HE21 . 19446 1 1054 . 1 1 94 94 GLN HE22 H 1 7.591 0.000 . 1 . . . . 94 Gln HE22 . 19446 1 1055 . 1 1 94 94 GLN C C 13 174.130 0.017 . 1 . . . . 94 Gln C . 19446 1 1056 . 1 1 94 94 GLN CA C 13 53.791 0.023 . 1 . . . . 94 Gln CA . 19446 1 1057 . 1 1 94 94 GLN CB C 13 28.632 0.046 . 1 . . . . 94 Gln CB . 19446 1 1058 . 1 1 94 94 GLN CG C 13 32.840 0.000 . 1 . . . . 94 Gln CG . 19446 1 1059 . 1 1 94 94 GLN N N 15 120.599 0.164 . 1 . . . . 94 Gln N . 19446 1 1060 . 1 1 94 94 GLN NE2 N 15 113.134 0.030 . 1 . . . . 94 Gln NE2 . 19446 1 1061 . 1 1 95 95 ASP H H 1 8.559 0.008 . 1 . . . . 95 Asp H . 19446 1 1062 . 1 1 95 95 ASP HA H 1 4.683 0.006 . 1 . . . . 95 Asp HA . 19446 1 1063 . 1 1 95 95 ASP HB2 H 1 2.588 0.004 . 2 . . . . 95 Asp HB2 . 19446 1 1064 . 1 1 95 95 ASP HB3 H 1 2.258 0.007 . 2 . . . . 95 Asp HB3 . 19446 1 1065 . 1 1 95 95 ASP C C 13 173.931 0.034 . 1 . . . . 95 Asp C . 19446 1 1066 . 1 1 95 95 ASP CA C 13 53.171 0.100 . 1 . . . . 95 Asp CA . 19446 1 1067 . 1 1 95 95 ASP CB C 13 38.962 0.084 . 1 . . . . 95 Asp CB . 19446 1 1068 . 1 1 95 95 ASP N N 15 123.142 0.102 . 1 . . . . 95 Asp N . 19446 1 1069 . 1 1 96 96 ARG H H 1 8.646 0.003 . 1 . . . . 96 Arg H . 19446 1 1070 . 1 1 96 96 ARG HA H 1 4.239 0.003 . 1 . . . . 96 Arg HA . 19446 1 1071 . 1 1 96 96 ARG HB2 H 1 1.002 0.008 . 2 . . . . 96 Arg HB2 . 19446 1 1072 . 1 1 96 96 ARG HB3 H 1 -0.143 0.016 . 2 . . . . 96 Arg HB3 . 19446 1 1073 . 1 1 96 96 ARG HG3 H 1 0.781 0.008 . 1 . . . . 96 Arg HG3 . 19446 1 1074 . 1 1 96 96 ARG C C 13 172.665 0.017 . 1 . . . . 96 Arg C . 19446 1 1075 . 1 1 96 96 ARG CA C 13 52.358 0.038 . 1 . . . . 96 Arg CA . 19446 1 1076 . 1 1 96 96 ARG CB C 13 31.290 0.055 . 1 . . . . 96 Arg CB . 19446 1 1077 . 1 1 96 96 ARG CG C 13 25.174 0.014 . 1 . . . . 96 Arg CG . 19446 1 1078 . 1 1 96 96 ARG CD C 13 41.399 0.079 . 1 . . . . 96 Arg CD . 19446 1 1079 . 1 1 96 96 ARG N N 15 123.127 0.040 . 1 . . . . 96 Arg N . 19446 1 1080 . 1 1 97 97 TYR H H 1 8.135 0.006 . 1 . . . . 97 Tyr H . 19446 1 1081 . 1 1 97 97 TYR HA H 1 5.441 0.004 . 1 . . . . 97 Tyr HA . 19446 1 1082 . 1 1 97 97 TYR HB2 H 1 2.731 0.007 . 2 . . . . 97 Tyr HB2 . 19446 1 1083 . 1 1 97 97 TYR HB3 H 1 2.798 0.013 . 2 . . . . 97 Tyr HB3 . 19446 1 1084 . 1 1 97 97 TYR HD1 H 1 6.950 0.006 . 3 . . . . 97 Tyr HD1 . 19446 1 1085 . 1 1 97 97 TYR HD2 H 1 6.950 0.006 . 3 . . . . 97 Tyr HD2 . 19446 1 1086 . 1 1 97 97 TYR HE1 H 1 6.720 0.004 . 3 . . . . 97 Tyr HE1 . 19446 1 1087 . 1 1 97 97 TYR HE2 H 1 6.720 0.004 . 3 . . . . 97 Tyr HE2 . 19446 1 1088 . 1 1 97 97 TYR C C 13 175.467 0.015 . 1 . . . . 97 Tyr C . 19446 1 1089 . 1 1 97 97 TYR CA C 13 55.900 0.026 . 1 . . . . 97 Tyr CA . 19446 1 1090 . 1 1 97 97 TYR CB C 13 40.180 0.046 . 1 . . . . 97 Tyr CB . 19446 1 1091 . 1 1 97 97 TYR CD1 C 13 131.422 0.717 . 3 . . . . 97 Tyr CD1 . 19446 1 1092 . 1 1 97 97 TYR CD2 C 13 131.422 0.717 . 3 . . . . 97 Tyr CD2 . 19446 1 1093 . 1 1 97 97 TYR CE1 C 13 116.356 0.906 . 3 . . . . 97 Tyr CE1 . 19446 1 1094 . 1 1 97 97 TYR CE2 C 13 116.356 0.906 . 3 . . . . 97 Tyr CE2 . 19446 1 1095 . 1 1 97 97 TYR N N 15 116.891 0.037 . 1 . . . . 97 Tyr N . 19446 1 1096 . 1 1 98 98 THR H H 1 9.103 0.004 . 1 . . . . 98 Thr H . 19446 1 1097 . 1 1 98 98 THR HA H 1 4.809 0.007 . 1 . . . . 98 Thr HA . 19446 1 1098 . 1 1 98 98 THR HB H 1 4.126 0.008 . 1 . . . . 98 Thr HB . 19446 1 1099 . 1 1 98 98 THR HG21 H 1 1.224 0.003 . 1 . . . . 98 Thr HG21 . 19446 1 1100 . 1 1 98 98 THR HG22 H 1 1.224 0.003 . 1 . . . . 98 Thr HG22 . 19446 1 1101 . 1 1 98 98 THR HG23 H 1 1.224 0.003 . 1 . . . . 98 Thr HG23 . 19446 1 1102 . 1 1 98 98 THR C C 13 172.314 0.005 . 1 . . . . 98 Thr C . 19446 1 1103 . 1 1 98 98 THR CA C 13 60.510 0.082 . 1 . . . . 98 Thr CA . 19446 1 1104 . 1 1 98 98 THR CB C 13 70.578 0.078 . 1 . . . . 98 Thr CB . 19446 1 1105 . 1 1 98 98 THR CG2 C 13 20.650 0.005 . 1 . . . . 98 Thr CG2 . 19446 1 1106 . 1 1 98 98 THR N N 15 118.123 0.089 . 1 . . . . 98 Thr N . 19446 1 1107 . 1 1 99 99 THR H H 1 8.685 0.005 . 1 . . . . 99 Thr H . 19446 1 1108 . 1 1 99 99 THR HA H 1 5.329 0.005 . 1 . . . . 99 Thr HA . 19446 1 1109 . 1 1 99 99 THR HB H 1 4.076 0.000 . 1 . . . . 99 Thr HB . 19446 1 1110 . 1 1 99 99 THR HG21 H 1 1.259 0.000 . 1 . . . . 99 Thr HG21 . 19446 1 1111 . 1 1 99 99 THR HG22 H 1 1.259 0.000 . 1 . . . . 99 Thr HG22 . 19446 1 1112 . 1 1 99 99 THR HG23 H 1 1.259 0.000 . 1 . . . . 99 Thr HG23 . 19446 1 1113 . 1 1 99 99 THR C C 13 172.976 0.007 . 1 . . . . 99 Thr C . 19446 1 1114 . 1 1 99 99 THR CA C 13 60.637 0.037 . 1 . . . . 99 Thr CA . 19446 1 1115 . 1 1 99 99 THR CB C 13 70.076 0.087 . 1 . . . . 99 Thr CB . 19446 1 1116 . 1 1 99 99 THR CG2 C 13 21.288 0.000 . 1 . . . . 99 Thr CG2 . 19446 1 1117 . 1 1 99 99 THR N N 15 120.734 0.083 . 1 . . . . 99 Thr N . 19446 1 1118 . 1 1 100 100 GLU H H 1 9.201 0.004 . 1 . . . . 100 Glu H . 19446 1 1119 . 1 1 100 100 GLU HA H 1 5.002 0.004 . 1 . . . . 100 Glu HA . 19446 1 1120 . 1 1 100 100 GLU C C 13 172.136 0.008 . 1 . . . . 100 Glu C . 19446 1 1121 . 1 1 100 100 GLU CA C 13 52.878 0.059 . 1 . . . . 100 Glu CA . 19446 1 1122 . 1 1 100 100 GLU CB C 13 31.411 0.086 . 1 . . . . 100 Glu CB . 19446 1 1123 . 1 1 100 100 GLU N N 15 122.944 0.082 . 1 . . . . 100 Glu N . 19446 1 1124 . 1 1 101 101 VAL H H 1 8.694 0.009 . 1 . . . . 101 Val H . 19446 1 1125 . 1 1 101 101 VAL HA H 1 4.638 0.006 . 1 . . . . 101 Val HA . 19446 1 1126 . 1 1 101 101 VAL HB H 1 1.970 0.002 . 1 . . . . 101 Val HB . 19446 1 1127 . 1 1 101 101 VAL HG11 H 1 0.552 0.003 . 2 . . . . 101 Val HG11 . 19446 1 1128 . 1 1 101 101 VAL HG12 H 1 0.552 0.003 . 2 . . . . 101 Val HG12 . 19446 1 1129 . 1 1 101 101 VAL HG13 H 1 0.552 0.003 . 2 . . . . 101 Val HG13 . 19446 1 1130 . 1 1 101 101 VAL HG21 H 1 0.847 0.003 . 2 . . . . 101 Val HG21 . 19446 1 1131 . 1 1 101 101 VAL HG22 H 1 0.847 0.003 . 2 . . . . 101 Val HG22 . 19446 1 1132 . 1 1 101 101 VAL HG23 H 1 0.847 0.003 . 2 . . . . 101 Val HG23 . 19446 1 1133 . 1 1 101 101 VAL C C 13 173.730 0.019 . 1 . . . . 101 Val C . 19446 1 1134 . 1 1 101 101 VAL CA C 13 60.586 0.037 . 1 . . . . 101 Val CA . 19446 1 1135 . 1 1 101 101 VAL CB C 13 31.701 0.080 . 1 . . . . 101 Val CB . 19446 1 1136 . 1 1 101 101 VAL CG1 C 13 19.931 0.066 . 2 . . . . 101 Val CG1 . 19446 1 1137 . 1 1 101 101 VAL CG2 C 13 20.819 0.076 . 2 . . . . 101 Val CG2 . 19446 1 1138 . 1 1 101 101 VAL N N 15 121.652 0.052 . 1 . . . . 101 Val N . 19446 1 1139 . 1 1 102 102 VAL H H 1 9.427 0.006 . 1 . . . . 102 Val H . 19446 1 1140 . 1 1 102 102 VAL HA H 1 4.845 0.004 . 1 . . . . 102 Val HA . 19446 1 1141 . 1 1 102 102 VAL HB H 1 2.084 0.004 . 1 . . . . 102 Val HB . 19446 1 1142 . 1 1 102 102 VAL HG11 H 1 0.982 0.004 . 1 . . . . 102 Val HG11 . 19446 1 1143 . 1 1 102 102 VAL HG12 H 1 0.982 0.004 . 1 . . . . 102 Val HG12 . 19446 1 1144 . 1 1 102 102 VAL HG13 H 1 0.982 0.004 . 1 . . . . 102 Val HG13 . 19446 1 1145 . 1 1 102 102 VAL C C 13 175.040 0.008 . 1 . . . . 102 Val C . 19446 1 1146 . 1 1 102 102 VAL CA C 13 59.968 0.060 . 1 . . . . 102 Val CA . 19446 1 1147 . 1 1 102 102 VAL CB C 13 33.065 0.109 . 1 . . . . 102 Val CB . 19446 1 1148 . 1 1 102 102 VAL CG1 C 13 20.568 0.062 . 1 . . . . 102 Val CG1 . 19446 1 1149 . 1 1 102 102 VAL N N 15 125.425 0.044 . 1 . . . . 102 Val N . 19446 1 1150 . 1 1 103 103 VAL H H 1 9.126 0.006 . 1 . . . . 103 Val H . 19446 1 1151 . 1 1 103 103 VAL HA H 1 4.334 0.007 . 1 . . . . 103 Val HA . 19446 1 1152 . 1 1 103 103 VAL HB H 1 2.268 0.002 . 1 . . . . 103 Val HB . 19446 1 1153 . 1 1 103 103 VAL HG11 H 1 0.735 0.006 . 2 . . . . 103 Val HG11 . 19446 1 1154 . 1 1 103 103 VAL HG12 H 1 0.735 0.006 . 2 . . . . 103 Val HG12 . 19446 1 1155 . 1 1 103 103 VAL HG13 H 1 0.735 0.006 . 2 . . . . 103 Val HG13 . 19446 1 1156 . 1 1 103 103 VAL HG21 H 1 0.965 0.002 . 2 . . . . 103 Val HG21 . 19446 1 1157 . 1 1 103 103 VAL HG22 H 1 0.965 0.002 . 2 . . . . 103 Val HG22 . 19446 1 1158 . 1 1 103 103 VAL HG23 H 1 0.965 0.002 . 2 . . . . 103 Val HG23 . 19446 1 1159 . 1 1 103 103 VAL C C 13 172.895 0.029 . 1 . . . . 103 Val C . 19446 1 1160 . 1 1 103 103 VAL CA C 13 61.294 0.093 . 1 . . . . 103 Val CA . 19446 1 1161 . 1 1 103 103 VAL CB C 13 30.435 0.048 . 1 . . . . 103 Val CB . 19446 1 1162 . 1 1 103 103 VAL CG1 C 13 20.704 0.048 . 2 . . . . 103 Val CG1 . 19446 1 1163 . 1 1 103 103 VAL CG2 C 13 21.147 0.002 . 2 . . . . 103 Val CG2 . 19446 1 1164 . 1 1 103 103 VAL N N 15 129.418 0.035 . 1 . . . . 103 Val N . 19446 1 1165 . 1 1 104 104 ASN H H 1 8.473 0.008 . 1 . . . . 104 Asn H . 19446 1 1166 . 1 1 104 104 ASN HA H 1 5.022 0.004 . 1 . . . . 104 Asn HA . 19446 1 1167 . 1 1 104 104 ASN HB2 H 1 2.886 0.002 . 2 . . . . 104 Asn HB2 . 19446 1 1168 . 1 1 104 104 ASN HB3 H 1 2.816 0.003 . 2 . . . . 104 Asn HB3 . 19446 1 1169 . 1 1 104 104 ASN HD21 H 1 6.830 0.004 . 1 . . . . 104 Asn HD21 . 19446 1 1170 . 1 1 104 104 ASN HD22 H 1 7.309 0.000 . 1 . . . . 104 Asn HD22 . 19446 1 1171 . 1 1 104 104 ASN C C 13 174.302 0.012 . 1 . . . . 104 Asn C . 19446 1 1172 . 1 1 104 104 ASN CA C 13 50.881 0.039 . 1 . . . . 104 Asn CA . 19446 1 1173 . 1 1 104 104 ASN CB C 13 38.417 0.037 . 1 . . . . 104 Asn CB . 19446 1 1174 . 1 1 104 104 ASN N N 15 125.731 0.034 . 1 . . . . 104 Asn N . 19446 1 1175 . 1 1 104 104 ASN ND2 N 15 112.119 0.012 . 1 . . . . 104 Asn ND2 . 19446 1 1176 . 1 1 105 105 VAL H H 1 8.212 0.005 . 1 . . . . 105 Val H . 19446 1 1177 . 1 1 105 105 VAL HA H 1 3.967 0.002 . 1 . . . . 105 Val HA . 19446 1 1178 . 1 1 105 105 VAL HB H 1 2.103 0.001 . 1 . . . . 105 Val HB . 19446 1 1179 . 1 1 105 105 VAL HG11 H 1 1.019 0.005 . 2 . . . . 105 Val HG11 . 19446 1 1180 . 1 1 105 105 VAL HG12 H 1 1.019 0.005 . 2 . . . . 105 Val HG12 . 19446 1 1181 . 1 1 105 105 VAL HG13 H 1 1.019 0.005 . 2 . . . . 105 Val HG13 . 19446 1 1182 . 1 1 105 105 VAL HG21 H 1 1.069 0.000 . 2 . . . . 105 Val HG21 . 19446 1 1183 . 1 1 105 105 VAL HG22 H 1 1.069 0.000 . 2 . . . . 105 Val HG22 . 19446 1 1184 . 1 1 105 105 VAL HG23 H 1 1.069 0.000 . 2 . . . . 105 Val HG23 . 19446 1 1185 . 1 1 105 105 VAL C C 13 176.249 0.013 . 1 . . . . 105 Val C . 19446 1 1186 . 1 1 105 105 VAL CA C 13 64.302 0.044 . 1 . . . . 105 Val CA . 19446 1 1187 . 1 1 105 105 VAL CB C 13 30.475 0.058 . 1 . . . . 105 Val CB . 19446 1 1188 . 1 1 105 105 VAL CG1 C 13 19.983 0.063 . 2 . . . . 105 Val CG1 . 19446 1 1189 . 1 1 105 105 VAL CG2 C 13 20.341 0.026 . 2 . . . . 105 Val CG2 . 19446 1 1190 . 1 1 105 105 VAL N N 15 121.249 0.023 . 1 . . . . 105 Val N . 19446 1 1191 . 1 1 106 106 GLY H H 1 8.804 0.010 . 1 . . . . 106 Gly H . 19446 1 1192 . 1 1 106 106 GLY HA2 H 1 3.945 0.000 . 2 . . . . 106 Gly HA2 . 19446 1 1193 . 1 1 106 106 GLY HA3 H 1 4.178 0.000 . 2 . . . . 106 Gly HA3 . 19446 1 1194 . 1 1 106 106 GLY C C 13 174.089 0.015 . 1 . . . . 106 Gly C . 19446 1 1195 . 1 1 106 106 GLY CA C 13 44.254 0.063 . 1 . . . . 106 Gly CA . 19446 1 1196 . 1 1 106 106 GLY N N 15 114.696 0.024 . 1 . . . . 106 Gly N . 19446 1 1197 . 1 1 107 107 GLY H H 1 8.334 0.008 . 1 . . . . 107 Gly H . 19446 1 1198 . 1 1 107 107 GLY HA2 H 1 3.958 0.001 . 2 . . . . 107 Gly HA2 . 19446 1 1199 . 1 1 107 107 GLY HA3 H 1 4.474 0.003 . 2 . . . . 107 Gly HA3 . 19446 1 1200 . 1 1 107 107 GLY C C 13 171.955 0.034 . 1 . . . . 107 Gly C . 19446 1 1201 . 1 1 107 107 GLY CA C 13 43.673 0.034 . 1 . . . . 107 Gly CA . 19446 1 1202 . 1 1 107 107 GLY N N 15 109.968 0.030 . 1 . . . . 107 Gly N . 19446 1 1203 . 1 1 108 108 THR H H 1 8.745 0.006 . 1 . . . . 108 Thr H . 19446 1 1204 . 1 1 108 108 THR HA H 1 4.653 0.006 . 1 . . . . 108 Thr HA . 19446 1 1205 . 1 1 108 108 THR HB H 1 4.082 0.001 . 1 . . . . 108 Thr HB . 19446 1 1206 . 1 1 108 108 THR HG21 H 1 1.210 0.005 . 1 . . . . 108 Thr HG21 . 19446 1 1207 . 1 1 108 108 THR HG22 H 1 1.210 0.005 . 1 . . . . 108 Thr HG22 . 19446 1 1208 . 1 1 108 108 THR HG23 H 1 1.210 0.005 . 1 . . . . 108 Thr HG23 . 19446 1 1209 . 1 1 108 108 THR C C 13 170.601 0.010 . 1 . . . . 108 Thr C . 19446 1 1210 . 1 1 108 108 THR CA C 13 61.043 0.058 . 1 . . . . 108 Thr CA . 19446 1 1211 . 1 1 108 108 THR CB C 13 70.185 0.041 . 1 . . . . 108 Thr CB . 19446 1 1212 . 1 1 108 108 THR CG2 C 13 28.280 0.000 . 1 . . . . 108 Thr CG2 . 19446 1 1213 . 1 1 108 108 THR N N 15 113.463 0.027 . 1 . . . . 108 Thr N . 19446 1 1214 . 1 1 109 109 MET H H 1 8.033 0.006 . 1 . . . . 109 Met H . 19446 1 1215 . 1 1 109 109 MET HA H 1 5.365 0.007 . 1 . . . . 109 Met HA . 19446 1 1216 . 1 1 109 109 MET HB3 H 1 2.352 0.001 . 1 . . . . 109 Met HB3 . 19446 1 1217 . 1 1 109 109 MET HG2 H 1 2.173 0.007 . 1 . . . . 109 Met HG2 . 19446 1 1218 . 1 1 109 109 MET HE1 H 1 1.945 0.001 . 1 . . . . 109 Met HE1 . 19446 1 1219 . 1 1 109 109 MET HE2 H 1 1.945 0.001 . 1 . . . . 109 Met HE2 . 19446 1 1220 . 1 1 109 109 MET HE3 H 1 1.945 0.001 . 1 . . . . 109 Met HE3 . 19446 1 1221 . 1 1 109 109 MET C C 13 173.279 0.026 . 1 . . . . 109 Met C . 19446 1 1222 . 1 1 109 109 MET CA C 13 54.202 0.038 . 1 . . . . 109 Met CA . 19446 1 1223 . 1 1 109 109 MET CB C 13 35.228 0.020 . 1 . . . . 109 Met CB . 19446 1 1224 . 1 1 109 109 MET CG C 13 30.958 0.001 . 1 . . . . 109 Met CG . 19446 1 1225 . 1 1 109 109 MET CE C 13 16.274 0.019 . 1 . . . . 109 Met CE . 19446 1 1226 . 1 1 109 109 MET N N 15 123.517 0.041 . 1 . . . . 109 Met N . 19446 1 1227 . 1 1 110 110 GLN H H 1 9.512 0.004 . 1 . . . . 110 Gln H . 19446 1 1228 . 1 1 110 110 GLN HA H 1 4.753 0.007 . 1 . . . . 110 Gln HA . 19446 1 1229 . 1 1 110 110 GLN HB2 H 1 1.887 0.002 . 2 . . . . 110 Gln HB2 . 19446 1 1230 . 1 1 110 110 GLN HB3 H 1 2.059 0.000 . 2 . . . . 110 Gln HB3 . 19446 1 1231 . 1 1 110 110 GLN HG3 H 1 2.252 0.004 . 1 . . . . 110 Gln HG3 . 19446 1 1232 . 1 1 110 110 GLN HE21 H 1 6.662 0.001 . 1 . . . . 110 Gln HE21 . 19446 1 1233 . 1 1 110 110 GLN HE22 H 1 7.180 0.001 . 1 . . . . 110 Gln HE22 . 19446 1 1234 . 1 1 110 110 GLN C C 13 173.810 0.011 . 1 . . . . 110 Gln C . 19446 1 1235 . 1 1 110 110 GLN CA C 13 53.218 0.046 . 1 . . . . 110 Gln CA . 19446 1 1236 . 1 1 110 110 GLN CB C 13 31.183 0.068 . 1 . . . . 110 Gln CB . 19446 1 1237 . 1 1 110 110 GLN CG C 13 32.335 0.091 . 1 . . . . 110 Gln CG . 19446 1 1238 . 1 1 110 110 GLN N N 15 125.246 0.048 . 1 . . . . 110 Gln N . 19446 1 1239 . 1 1 110 110 GLN NE2 N 15 110.660 0.036 . 1 . . . . 110 Gln NE2 . 19446 1 1240 . 1 1 111 111 MET H H 1 8.964 0.007 . 1 . . . . 111 Met H . 19446 1 1241 . 1 1 111 111 MET HA H 1 4.533 0.006 . 1 . . . . 111 Met HA . 19446 1 1242 . 1 1 111 111 MET HB2 H 1 1.997 0.000 . 2 . . . . 111 Met HB2 . 19446 1 1243 . 1 1 111 111 MET HB3 H 1 2.122 0.000 . 2 . . . . 111 Met HB3 . 19446 1 1244 . 1 1 111 111 MET HG2 H 1 2.498 0.013 . 1 . . . . 111 Met HG2 . 19446 1 1245 . 1 1 111 111 MET HE1 H 1 1.896 0.006 . 1 . . . . 111 Met HE1 . 19446 1 1246 . 1 1 111 111 MET HE2 H 1 1.896 0.006 . 1 . . . . 111 Met HE2 . 19446 1 1247 . 1 1 111 111 MET HE3 H 1 1.896 0.006 . 1 . . . . 111 Met HE3 . 19446 1 1248 . 1 1 111 111 MET C C 13 174.667 0.005 . 1 . . . . 111 Met C . 19446 1 1249 . 1 1 111 111 MET CA C 13 55.757 0.047 . 1 . . . . 111 Met CA . 19446 1 1250 . 1 1 111 111 MET CB C 13 32.359 0.084 . 1 . . . . 111 Met CB . 19446 1 1251 . 1 1 111 111 MET CG C 13 31.759 0.039 . 1 . . . . 111 Met CG . 19446 1 1252 . 1 1 111 111 MET CE C 13 16.059 0.032 . 1 . . . . 111 Met CE . 19446 1 1253 . 1 1 111 111 MET N N 15 124.478 0.027 . 1 . . . . 111 Met N . 19446 1 1254 . 1 1 112 112 LEU H H 1 8.154 0.005 . 1 . . . . 112 Leu H . 19446 1 1255 . 1 1 112 112 LEU HA H 1 4.574 0.002 . 1 . . . . 112 Leu HA . 19446 1 1256 . 1 1 112 112 LEU HB2 H 1 1.536 0.006 . 2 . . . . 112 Leu HB2 . 19446 1 1257 . 1 1 112 112 LEU HB3 H 1 1.422 0.007 . 2 . . . . 112 Leu HB3 . 19446 1 1258 . 1 1 112 112 LEU HG H 1 0.848 0.002 . 1 . . . . 112 Leu HG . 19446 1 1259 . 1 1 112 112 LEU HD11 H 1 0.761 0.002 . 1 . . . . 112 Leu HD11 . 19446 1 1260 . 1 1 112 112 LEU HD12 H 1 0.761 0.002 . 1 . . . . 112 Leu HD12 . 19446 1 1261 . 1 1 112 112 LEU HD13 H 1 0.761 0.002 . 1 . . . . 112 Leu HD13 . 19446 1 1262 . 1 1 112 112 LEU C C 13 176.260 0.011 . 1 . . . . 112 Leu C . 19446 1 1263 . 1 1 112 112 LEU CA C 13 53.393 0.064 . 1 . . . . 112 Leu CA . 19446 1 1264 . 1 1 112 112 LEU CB C 13 41.850 0.052 . 1 . . . . 112 Leu CB . 19446 1 1265 . 1 1 112 112 LEU CG C 13 25.125 0.089 . 1 . . . . 112 Leu CG . 19446 1 1266 . 1 1 112 112 LEU CD1 C 13 21.735 0.057 . 1 . . . . 112 Leu CD1 . 19446 1 1267 . 1 1 112 112 LEU N N 15 124.973 0.030 . 1 . . . . 112 Leu N . 19446 1 1268 . 1 1 113 113 GLY H H 1 8.445 0.006 . 1 . . . . 113 Gly H . 19446 1 1269 . 1 1 113 113 GLY HA3 H 1 3.954 0.001 . 1 . . . . 113 Gly HA3 . 19446 1 1270 . 1 1 113 113 GLY C C 13 173.620 0.048 . 1 . . . . 113 Gly C . 19446 1 1271 . 1 1 113 113 GLY CA C 13 44.490 0.063 . 1 . . . . 113 Gly CA . 19446 1 1272 . 1 1 113 113 GLY N N 15 108.779 0.038 . 1 . . . . 113 Gly N . 19446 1 1273 . 1 1 114 114 GLY H H 1 8.228 0.006 . 1 . . . . 114 Gly H . 19446 1 1274 . 1 1 114 114 GLY HA3 H 1 3.998 0.000 . 1 . . . . 114 Gly HA3 . 19446 1 1275 . 1 1 114 114 GLY C C 13 173.221 0.030 . 1 . . . . 114 Gly C . 19446 1 1276 . 1 1 114 114 GLY CA C 13 44.222 0.044 . 1 . . . . 114 Gly CA . 19446 1 1277 . 1 1 114 114 GLY N N 15 108.563 0.025 . 1 . . . . 114 Gly N . 19446 1 1278 . 1 1 115 115 ARG H H 1 8.316 0.007 . 1 . . . . 115 Arg H . 19446 1 1279 . 1 1 115 115 ARG HA H 1 4.342 0.002 . 1 . . . . 115 Arg HA . 19446 1 1280 . 1 1 115 115 ARG HB2 H 1 1.750 0.000 . 2 . . . . 115 Arg HB2 . 19446 1 1281 . 1 1 115 115 ARG HB3 H 1 1.843 0.000 . 2 . . . . 115 Arg HB3 . 19446 1 1282 . 1 1 115 115 ARG HG3 H 1 1.615 0.007 . 1 . . . . 115 Arg HG3 . 19446 1 1283 . 1 1 115 115 ARG HD2 H 1 3.164 0.001 . 1 . . . . 115 Arg HD2 . 19446 1 1284 . 1 1 115 115 ARG C C 13 175.531 0.010 . 1 . . . . 115 Arg C . 19446 1 1285 . 1 1 115 115 ARG CA C 13 55.226 0.045 . 1 . . . . 115 Arg CA . 19446 1 1286 . 1 1 115 115 ARG CB C 13 29.840 0.043 . 1 . . . . 115 Arg CB . 19446 1 1287 . 1 1 115 115 ARG CG C 13 26.106 0.024 . 1 . . . . 115 Arg CG . 19446 1 1288 . 1 1 115 115 ARG CD C 13 42.436 0.011 . 1 . . . . 115 Arg CD . 19446 1 1289 . 1 1 115 115 ARG N N 15 120.588 0.038 . 1 . . . . 115 Arg N . 19446 1 1290 . 1 1 116 116 GLN H H 1 8.562 0.005 . 1 . . . . 116 Gln H . 19446 1 1291 . 1 1 116 116 GLN HA H 1 4.367 0.005 . 1 . . . . 116 Gln HA . 19446 1 1292 . 1 1 116 116 GLN HB2 H 1 1.990 0.000 . 2 . . . . 116 Gln HB2 . 19446 1 1293 . 1 1 116 116 GLN HB3 H 1 2.126 0.000 . 2 . . . . 116 Gln HB3 . 19446 1 1294 . 1 1 116 116 GLN HG3 H 1 2.359 0.000 . 1 . . . . 116 Gln HG3 . 19446 1 1295 . 1 1 116 116 GLN HE21 H 1 6.844 0.003 . 1 . . . . 116 Gln HE21 . 19446 1 1296 . 1 1 116 116 GLN HE22 H 1 7.495 0.003 . 1 . . . . 116 Gln HE22 . 19446 1 1297 . 1 1 116 116 GLN C C 13 175.524 0.033 . 1 . . . . 116 Gln C . 19446 1 1298 . 1 1 116 116 GLN CA C 13 55.121 0.056 . 1 . . . . 116 Gln CA . 19446 1 1299 . 1 1 116 116 GLN CG C 13 32.874 0.000 . 1 . . . . 116 Gln CG . 19446 1 1300 . 1 1 116 116 GLN N N 15 121.856 0.039 . 1 . . . . 116 Gln N . 19446 1 1301 . 1 1 116 116 GLN NE2 N 15 112.336 0.007 . 1 . . . . 116 Gln NE2 . 19446 1 1302 . 1 1 117 117 GLY H H 1 8.452 0.005 . 1 . . . . 117 Gly H . 19446 1 1303 . 1 1 117 117 GLY HA3 H 1 3.977 0.004 . 1 . . . . 117 Gly HA3 . 19446 1 1304 . 1 1 117 117 GLY C C 13 173.662 0.006 . 1 . . . . 117 Gly C . 19446 1 1305 . 1 1 117 117 GLY CA C 13 44.368 0.028 . 1 . . . . 117 Gly CA . 19446 1 1306 . 1 1 117 117 GLY N N 15 110.381 0.052 . 1 . . . . 117 Gly N . 19446 1 1307 . 1 1 118 118 GLY H H 1 8.287 0.006 . 1 . . . . 118 Gly H . 19446 1 1308 . 1 1 118 118 GLY HA3 H 1 3.975 0.003 . 1 . . . . 118 Gly HA3 . 19446 1 1309 . 1 1 118 118 GLY CA C 13 44.357 0.093 . 1 . . . . 118 Gly CA . 19446 1 1310 . 1 1 118 118 GLY N N 15 108.469 0.036 . 1 . . . . 118 Gly N . 19446 1 1311 . 1 1 119 119 GLY H H 1 8.281 0.005 . 1 . . . . 119 Gly H . 19446 1 1312 . 1 1 119 119 GLY HA3 H 1 3.936 0.001 . 1 . . . . 119 Gly HA3 . 19446 1 1313 . 1 1 119 119 GLY C C 13 172.452 0.007 . 1 . . . . 119 Gly C . 19446 1 1314 . 1 1 119 119 GLY CA C 13 43.904 0.044 . 1 . . . . 119 Gly CA . 19446 1 1315 . 1 1 119 119 GLY N N 15 108.555 0.045 . 1 . . . . 119 Gly N . 19446 1 1316 . 1 1 120 120 ALA H H 1 8.145 0.005 . 1 . . . . 120 Ala H . 19446 1 1317 . 1 1 120 120 ALA HA H 1 4.554 0.003 . 1 . . . . 120 Ala HA . 19446 1 1318 . 1 1 120 120 ALA C C 13 174.627 0.006 . 1 . . . . 120 Ala C . 19446 1 1319 . 1 1 120 120 ALA CA C 13 49.513 0.019 . 1 . . . . 120 Ala CA . 19446 1 1320 . 1 1 120 120 ALA CB C 13 17.281 0.026 . 1 . . . . 120 Ala CB . 19446 1 1321 . 1 1 120 120 ALA N N 15 124.610 0.038 . 1 . . . . 120 Ala N . 19446 1 1322 . 1 1 121 121 PRO HA H 1 4.390 0.002 . 1 . . . . 121 Pro HA . 19446 1 1323 . 1 1 121 121 PRO HB3 H 1 2.247 0.000 . 1 . . . . 121 Pro HB3 . 19446 1 1324 . 1 1 121 121 PRO HG2 H 1 1.970 0.000 . 2 . . . . 121 Pro HG2 . 19446 1 1325 . 1 1 121 121 PRO HG3 H 1 1.903 0.000 . 2 . . . . 121 Pro HG3 . 19446 1 1326 . 1 1 121 121 PRO HD2 H 1 3.585 0.000 . 2 . . . . 121 Pro HD2 . 19446 1 1327 . 1 1 121 121 PRO HD3 H 1 3.748 0.000 . 2 . . . . 121 Pro HD3 . 19446 1 1328 . 1 1 121 121 PRO C C 13 175.837 0.008 . 1 . . . . 121 Pro C . 19446 1 1329 . 1 1 121 121 PRO CA C 13 62.160 0.055 . 1 . . . . 121 Pro CA . 19446 1 1330 . 1 1 121 121 PRO CB C 13 31.025 0.025 . 1 . . . . 121 Pro CB . 19446 1 1331 . 1 1 121 121 PRO CG C 13 26.438 0.000 . 1 . . . . 121 Pro CG . 19446 1 1332 . 1 1 121 121 PRO CD C 13 49.594 0.000 . 1 . . . . 121 Pro CD . 19446 1 1333 . 1 1 122 122 ALA H H 1 8.425 0.005 . 1 . . . . 122 Ala H . 19446 1 1334 . 1 1 122 122 ALA HA H 1 4.306 0.004 . 1 . . . . 122 Ala HA . 19446 1 1335 . 1 1 122 122 ALA HB1 H 1 1.392 0.000 . 1 . . . . 122 Ala HB1 . 19446 1 1336 . 1 1 122 122 ALA HB2 H 1 1.392 0.000 . 1 . . . . 122 Ala HB2 . 19446 1 1337 . 1 1 122 122 ALA HB3 H 1 1.392 0.000 . 1 . . . . 122 Ala HB3 . 19446 1 1338 . 1 1 122 122 ALA C C 13 177.312 0.008 . 1 . . . . 122 Ala C . 19446 1 1339 . 1 1 122 122 ALA CA C 13 51.685 0.057 . 1 . . . . 122 Ala CA . 19446 1 1340 . 1 1 122 122 ALA CB C 13 18.253 0.038 . 1 . . . . 122 Ala CB . 19446 1 1341 . 1 1 122 122 ALA N N 15 124.410 0.034 . 1 . . . . 122 Ala N . 19446 1 1342 . 1 1 123 123 GLY H H 1 8.362 0.007 . 1 . . . . 123 Gly H . 19446 1 1343 . 1 1 123 123 GLY HA3 H 1 3.988 0.002 . 1 . . . . 123 Gly HA3 . 19446 1 1344 . 1 1 123 123 GLY C C 13 173.637 0.055 . 1 . . . . 123 Gly C . 19446 1 1345 . 1 1 123 123 GLY CA C 13 44.379 0.031 . 1 . . . . 123 Gly CA . 19446 1 1346 . 1 1 123 123 GLY N N 15 108.125 0.049 . 1 . . . . 123 Gly N . 19446 1 1347 . 1 1 124 124 GLY H H 1 8.315 0.003 . 1 . . . . 124 Gly H . 19446 1 1348 . 1 1 124 124 GLY C C 13 173.121 0.086 . 1 . . . . 124 Gly C . 19446 1 1349 . 1 1 124 124 GLY CA C 13 44.273 0.056 . 1 . . . . 124 Gly CA . 19446 1 1350 . 1 1 124 124 GLY N N 15 108.619 0.048 . 1 . . . . 124 Gly N . 19446 1 1351 . 1 1 125 125 ASN H H 1 8.362 0.003 . 1 . . . . 125 Asn H . 19446 1 1352 . 1 1 125 125 ASN HA H 1 4.745 0.002 . 1 . . . . 125 Asn HA . 19446 1 1353 . 1 1 125 125 ASN HB2 H 1 2.809 0.001 . 2 . . . . 125 Asn HB2 . 19446 1 1354 . 1 1 125 125 ASN HB3 H 1 2.718 0.004 . 2 . . . . 125 Asn HB3 . 19446 1 1355 . 1 1 125 125 ASN HD21 H 1 7.565 0.003 . 1 . . . . 125 Asn HD21 . 19446 1 1356 . 1 1 125 125 ASN HD22 H 1 6.910 0.012 . 1 . . . . 125 Asn HD22 . 19446 1 1357 . 1 1 125 125 ASN C C 13 174.443 0.020 . 1 . . . . 125 Asn C . 19446 1 1358 . 1 1 125 125 ASN CA C 13 52.217 0.060 . 1 . . . . 125 Asn CA . 19446 1 1359 . 1 1 125 125 ASN CB C 13 37.942 0.048 . 1 . . . . 125 Asn CB . 19446 1 1360 . 1 1 125 125 ASN N N 15 118.168 0.037 . 1 . . . . 125 Asn N . 19446 1 1361 . 1 1 125 125 ASN ND2 N 15 112.683 0.009 . 1 . . . . 125 Asn ND2 . 19446 1 1362 . 1 1 126 126 ILE H H 1 8.171 0.005 . 1 . . . . 126 Ile H . 19446 1 1363 . 1 1 126 126 ILE HA H 1 4.174 0.003 . 1 . . . . 126 Ile HA . 19446 1 1364 . 1 1 126 126 ILE HB H 1 1.888 0.002 . 1 . . . . 126 Ile HB . 19446 1 1365 . 1 1 126 126 ILE HG12 H 1 1.165 0.001 . 2 . . . . 126 Ile HG12 . 19446 1 1366 . 1 1 126 126 ILE HG13 H 1 1.441 0.001 . 2 . . . . 126 Ile HG13 . 19446 1 1367 . 1 1 126 126 ILE HG21 H 1 0.882 0.002 . 1 . . . . 126 Ile HG21 . 19446 1 1368 . 1 1 126 126 ILE HG22 H 1 0.882 0.002 . 1 . . . . 126 Ile HG22 . 19446 1 1369 . 1 1 126 126 ILE HG23 H 1 0.882 0.002 . 1 . . . . 126 Ile HG23 . 19446 1 1370 . 1 1 126 126 ILE HD11 H 1 0.834 0.000 . 1 . . . . 126 Ile HD11 . 19446 1 1371 . 1 1 126 126 ILE HD12 H 1 0.834 0.000 . 1 . . . . 126 Ile HD12 . 19446 1 1372 . 1 1 126 126 ILE HD13 H 1 0.834 0.000 . 1 . . . . 126 Ile HD13 . 19446 1 1373 . 1 1 126 126 ILE C C 13 175.896 0.007 . 1 . . . . 126 Ile C . 19446 1 1374 . 1 1 126 126 ILE CA C 13 60.579 0.029 . 1 . . . . 126 Ile CA . 19446 1 1375 . 1 1 126 126 ILE CB C 13 37.664 0.050 . 1 . . . . 126 Ile CB . 19446 1 1376 . 1 1 126 126 ILE CG1 C 13 26.291 0.015 . 1 . . . . 126 Ile CG1 . 19446 1 1377 . 1 1 126 126 ILE CG2 C 13 16.596 0.028 . 1 . . . . 126 Ile CG2 . 19446 1 1378 . 1 1 126 126 ILE CD1 C 13 12.093 0.051 . 1 . . . . 126 Ile CD1 . 19446 1 1379 . 1 1 126 126 ILE N N 15 120.959 0.040 . 1 . . . . 126 Ile N . 19446 1 1380 . 1 1 127 127 GLY H H 1 8.493 0.005 . 1 . . . . 127 Gly H . 19446 1 1381 . 1 1 127 127 GLY HA3 H 1 3.974 0.004 . 1 . . . . 127 Gly HA3 . 19446 1 1382 . 1 1 127 127 GLY C C 13 173.752 0.016 . 1 . . . . 127 Gly C . 19446 1 1383 . 1 1 127 127 GLY CA C 13 44.424 0.017 . 1 . . . . 127 Gly CA . 19446 1 1384 . 1 1 127 127 GLY N N 15 112.571 0.038 . 1 . . . . 127 Gly N . 19446 1 1385 . 1 1 128 128 GLY H H 1 8.251 0.005 . 1 . . . . 128 Gly H . 19446 1 1386 . 1 1 128 128 GLY CA C 13 44.408 0.000 . 1 . . . . 128 Gly CA . 19446 1 1387 . 1 1 128 128 GLY N N 15 108.641 0.044 . 1 . . . . 128 Gly N . 19446 1 1388 . 1 1 129 129 GLY HA3 H 1 3.953 0.000 . 1 . . . . 129 Gly HA3 . 19446 1 1389 . 1 1 129 129 GLY CA C 13 44.083 0.020 . 1 . . . . 129 Gly CA . 19446 1 1390 . 1 1 130 130 GLN H H 1 8.212 0.006 . 1 . . . . 130 Gln H . 19446 1 1391 . 1 1 130 130 GLN HA H 1 4.595 0.004 . 1 . . . . 130 Gln HA . 19446 1 1392 . 1 1 130 130 GLN HB2 H 1 2.082 0.001 . 2 . . . . 130 Gln HB2 . 19446 1 1393 . 1 1 130 130 GLN HB3 H 1 1.904 0.003 . 2 . . . . 130 Gln HB3 . 19446 1 1394 . 1 1 130 130 GLN HG2 H 1 2.367 0.000 . 2 . . . . 130 Gln HG2 . 19446 1 1395 . 1 1 130 130 GLN HG3 H 1 2.335 0.002 . 2 . . . . 130 Gln HG3 . 19446 1 1396 . 1 1 130 130 GLN C C 13 173.146 0.046 . 1 . . . . 130 Gln C . 19446 1 1397 . 1 1 130 130 GLN CA C 13 52.710 0.042 . 1 . . . . 130 Gln CA . 19446 1 1398 . 1 1 130 130 GLN CB C 13 28.246 0.246 . 1 . . . . 130 Gln CB . 19446 1 1399 . 1 1 130 130 GLN CG C 13 32.452 0.000 . 1 . . . . 130 Gln CG . 19446 1 1400 . 1 1 130 130 GLN N N 15 120.447 0.027 . 1 . . . . 130 Gln N . 19446 1 1401 . 1 1 131 131 PRO HA H 1 4.391 0.008 . 1 . . . . 131 Pro HA . 19446 1 1402 . 1 1 131 131 PRO HB3 H 1 2.215 0.000 . 1 . . . . 131 Pro HB3 . 19446 1 1403 . 1 1 131 131 PRO HG3 H 1 1.865 0.000 . 1 . . . . 131 Pro HG3 . 19446 1 1404 . 1 1 131 131 PRO HD2 H 1 3.464 0.004 . 2 . . . . 131 Pro HD2 . 19446 1 1405 . 1 1 131 131 PRO HD3 H 1 3.641 0.003 . 2 . . . . 131 Pro HD3 . 19446 1 1406 . 1 1 131 131 PRO C C 13 176.050 0.019 . 1 . . . . 131 Pro C . 19446 1 1407 . 1 1 131 131 PRO CA C 13 62.327 0.051 . 1 . . . . 131 Pro CA . 19446 1 1408 . 1 1 131 131 PRO CB C 13 31.077 0.000 . 1 . . . . 131 Pro CB . 19446 1 1409 . 1 1 131 131 PRO CG C 13 26.438 0.000 . 1 . . . . 131 Pro CG . 19446 1 1410 . 1 1 131 131 PRO CD C 13 49.628 0.091 . 1 . . . . 131 Pro CD . 19446 1 1411 . 1 1 132 132 GLN H H 1 8.537 0.005 . 1 . . . . 132 Gln H . 19446 1 1412 . 1 1 132 132 GLN HA H 1 4.271 0.000 . 1 . . . . 132 Gln HA . 19446 1 1413 . 1 1 132 132 GLN HB2 H 1 1.974 0.000 . 2 . . . . 132 Gln HB2 . 19446 1 1414 . 1 1 132 132 GLN HB3 H 1 2.097 0.000 . 2 . . . . 132 Gln HB3 . 19446 1 1415 . 1 1 132 132 GLN HG3 H 1 2.374 0.001 . 1 . . . . 132 Gln HG3 . 19446 1 1416 . 1 1 132 132 GLN C C 13 175.608 0.006 . 1 . . . . 132 Gln C . 19446 1 1417 . 1 1 132 132 GLN CA C 13 55.179 0.034 . 1 . . . . 132 Gln CA . 19446 1 1418 . 1 1 132 132 GLN CB C 13 28.423 0.017 . 1 . . . . 132 Gln CB . 19446 1 1419 . 1 1 132 132 GLN CG C 13 32.841 0.000 . 1 . . . . 132 Gln CG . 19446 1 1420 . 1 1 132 132 GLN N N 15 120.817 0.034 . 1 . . . . 132 Gln N . 19446 1 1421 . 1 1 133 133 GLY H H 1 8.380 0.006 . 1 . . . . 133 Gly H . 19446 1 1422 . 1 1 133 133 GLY HA3 H 1 3.906 0.009 . 1 . . . . 133 Gly HA3 . 19446 1 1423 . 1 1 133 133 GLY C C 13 173.474 0.004 . 1 . . . . 133 Gly C . 19446 1 1424 . 1 1 133 133 GLY CA C 13 44.341 0.031 . 1 . . . . 133 Gly CA . 19446 1 1425 . 1 1 133 133 GLY N N 15 109.977 0.037 . 1 . . . . 133 Gly N . 19446 1 1426 . 1 1 134 134 GLY H H 1 8.124 0.005 . 1 . . . . 134 Gly H . 19446 1 1427 . 1 1 134 134 GLY HA3 H 1 3.937 0.002 . 1 . . . . 134 Gly HA3 . 19446 1 1428 . 1 1 134 134 GLY C C 13 172.864 0.029 . 1 . . . . 134 Gly C . 19446 1 1429 . 1 1 134 134 GLY CA C 13 44.163 0.044 . 1 . . . . 134 Gly CA . 19446 1 1430 . 1 1 134 134 GLY N N 15 108.302 0.048 . 1 . . . . 134 Gly N . 19446 1 1431 . 1 1 135 135 TRP H H 1 8.053 0.005 . 1 . . . . 135 Trp H . 19446 1 1432 . 1 1 135 135 TRP HA H 1 4.631 0.006 . 1 . . . . 135 Trp HA . 19446 1 1433 . 1 1 135 135 TRP HB2 H 1 3.174 0.007 . 2 . . . . 135 Trp HB2 . 19446 1 1434 . 1 1 135 135 TRP HB3 H 1 3.293 0.005 . 2 . . . . 135 Trp HB3 . 19446 1 1435 . 1 1 135 135 TRP HD1 H 1 7.228 0.004 . 1 . . . . 135 Trp HD1 . 19446 1 1436 . 1 1 135 135 TRP HE1 H 1 10.093 0.002 . 1 . . . . 135 Trp HE1 . 19446 1 1437 . 1 1 135 135 TRP HE3 H 1 7.578 0.007 . 1 . . . . 135 Trp HE3 . 19446 1 1438 . 1 1 135 135 TRP HZ2 H 1 7.433 0.012 . 1 . . . . 135 Trp HZ2 . 19446 1 1439 . 1 1 135 135 TRP HZ3 H 1 7.080 0.010 . 1 . . . . 135 Trp HZ3 . 19446 1 1440 . 1 1 135 135 TRP HH2 H 1 7.159 0.009 . 1 . . . . 135 Trp HH2 . 19446 1 1441 . 1 1 135 135 TRP C C 13 175.851 0.007 . 1 . . . . 135 Trp C . 19446 1 1442 . 1 1 135 135 TRP CA C 13 56.518 0.022 . 1 . . . . 135 Trp CA . 19446 1 1443 . 1 1 135 135 TRP CB C 13 28.733 0.060 . 1 . . . . 135 Trp CB . 19446 1 1444 . 1 1 135 135 TRP CD1 C 13 125.452 0.624 . 1 . . . . 135 Trp CD1 . 19446 1 1445 . 1 1 135 135 TRP CE3 C 13 118.622 0.703 . 1 . . . . 135 Trp CE3 . 19446 1 1446 . 1 1 135 135 TRP CZ2 C 13 112.337 0.702 . 1 . . . . 135 Trp CZ2 . 19446 1 1447 . 1 1 135 135 TRP CZ3 C 13 119.279 0.032 . 1 . . . . 135 Trp CZ3 . 19446 1 1448 . 1 1 135 135 TRP CH2 C 13 121.838 0.030 . 1 . . . . 135 Trp CH2 . 19446 1 1449 . 1 1 135 135 TRP N N 15 120.341 0.061 . 1 . . . . 135 Trp N . 19446 1 1450 . 1 1 135 135 TRP NE1 N 15 129.245 0.110 . 1 . . . . 135 Trp NE1 . 19446 1 1451 . 1 1 136 136 GLY H H 1 8.321 0.006 . 1 . . . . 136 Gly H . 19446 1 1452 . 1 1 136 136 GLY HA3 H 1 3.832 0.002 . 1 . . . . 136 Gly HA3 . 19446 1 1453 . 1 1 136 136 GLY C C 13 172.651 0.029 . 1 . . . . 136 Gly C . 19446 1 1454 . 1 1 136 136 GLY CA C 13 44.227 0.022 . 1 . . . . 136 Gly CA . 19446 1 1455 . 1 1 136 136 GLY N N 15 110.320 0.069 . 1 . . . . 136 Gly N . 19446 1 1456 . 1 1 137 137 GLN H H 1 8.044 0.003 . 1 . . . . 137 Gln H . 19446 1 1457 . 1 1 137 137 GLN HA H 1 4.560 0.000 . 1 . . . . 137 Gln HA . 19446 1 1458 . 1 1 137 137 GLN HB2 H 1 1.883 0.002 . 2 . . . . 137 Gln HB2 . 19446 1 1459 . 1 1 137 137 GLN HB3 H 1 2.079 0.002 . 2 . . . . 137 Gln HB3 . 19446 1 1460 . 1 1 137 137 GLN HG2 H 1 2.330 0.000 . 2 . . . . 137 Gln HG2 . 19446 1 1461 . 1 1 137 137 GLN HG3 H 1 2.364 0.000 . 2 . . . . 137 Gln HG3 . 19446 1 1462 . 1 1 137 137 GLN C C 13 175.788 0.000 . 1 . . . . 137 Gln C . 19446 1 1463 . 1 1 137 137 GLN CA C 13 52.693 0.012 . 1 . . . . 137 Gln CA . 19446 1 1464 . 1 1 137 137 GLN CB C 13 27.946 0.083 . 1 . . . . 137 Gln CB . 19446 1 1465 . 1 1 137 137 GLN CG C 13 32.473 0.029 . 1 . . . . 137 Gln CG . 19446 1 1466 . 1 1 137 137 GLN N N 15 120.365 0.018 . 1 . . . . 137 Gln N . 19446 1 1467 . 1 1 138 138 PRO HA H 1 4.405 0.003 . 1 . . . . 138 Pro HA . 19446 1 1468 . 1 1 138 138 PRO HB3 H 1 2.270 0.000 . 1 . . . . 138 Pro HB3 . 19446 1 1469 . 1 1 138 138 PRO HG2 H 1 1.992 0.000 . 2 . . . . 138 Pro HG2 . 19446 1 1470 . 1 1 138 138 PRO HG3 H 1 1.885 0.000 . 2 . . . . 138 Pro HG3 . 19446 1 1471 . 1 1 138 138 PRO C C 13 175.841 0.004 . 1 . . . . 138 Pro C . 19446 1 1472 . 1 1 138 138 PRO CA C 13 62.318 0.057 . 1 . . . . 138 Pro CA . 19446 1 1473 . 1 1 138 138 PRO CB C 13 31.115 0.021 . 1 . . . . 138 Pro CB . 19446 1 1474 . 1 1 138 138 PRO CG C 13 26.474 0.000 . 1 . . . . 138 Pro CG . 19446 1 1475 . 1 1 138 138 PRO CD C 13 49.837 0.000 . 1 . . . . 138 Pro CD . 19446 1 1476 . 1 1 139 139 GLN H H 1 8.466 0.005 . 1 . . . . 139 Gln H . 19446 1 1477 . 1 1 139 139 GLN HA H 1 4.297 0.005 . 1 . . . . 139 Gln HA . 19446 1 1478 . 1 1 139 139 GLN HB2 H 1 1.953 0.000 . 2 . . . . 139 Gln HB2 . 19446 1 1479 . 1 1 139 139 GLN HB3 H 1 2.073 0.000 . 2 . . . . 139 Gln HB3 . 19446 1 1480 . 1 1 139 139 GLN HG3 H 1 2.361 0.000 . 1 . . . . 139 Gln HG3 . 19446 1 1481 . 1 1 139 139 GLN C C 13 174.834 0.009 . 1 . . . . 139 Gln C . 19446 1 1482 . 1 1 139 139 GLN CA C 13 54.765 0.021 . 1 . . . . 139 Gln CA . 19446 1 1483 . 1 1 139 139 GLN CB C 13 28.639 0.040 . 1 . . . . 139 Gln CB . 19446 1 1484 . 1 1 139 139 GLN CG C 13 32.900 0.000 . 1 . . . . 139 Gln CG . 19446 1 1485 . 1 1 139 139 GLN N N 15 120.396 0.039 . 1 . . . . 139 Gln N . 19446 1 1486 . 1 1 140 140 GLN H H 1 8.413 0.006 . 1 . . . . 140 Gln H . 19446 1 1487 . 1 1 140 140 GLN HB2 H 1 1.912 0.000 . 2 . . . . 140 Gln HB2 . 19446 1 1488 . 1 1 140 140 GLN HB3 H 1 2.076 0.000 . 2 . . . . 140 Gln HB3 . 19446 1 1489 . 1 1 140 140 GLN HG3 H 1 2.365 0.000 . 1 . . . . 140 Gln HG3 . 19446 1 1490 . 1 1 140 140 GLN C C 13 173.084 0.000 . 1 . . . . 140 Gln C . 19446 1 1491 . 1 1 140 140 GLN CA C 13 52.735 0.000 . 1 . . . . 140 Gln CA . 19446 1 1492 . 1 1 140 140 GLN CB C 13 27.978 0.000 . 1 . . . . 140 Gln CB . 19446 1 1493 . 1 1 140 140 GLN N N 15 122.414 0.037 . 1 . . . . 140 Gln N . 19446 1 1494 . 1 1 141 141 PRO HA H 1 4.413 0.002 . 1 . . . . 141 Pro HA . 19446 1 1495 . 1 1 141 141 PRO HB3 H 1 2.273 0.000 . 1 . . . . 141 Pro HB3 . 19446 1 1496 . 1 1 141 141 PRO HG2 H 1 1.972 0.000 . 2 . . . . 141 Pro HG2 . 19446 1 1497 . 1 1 141 141 PRO HG3 H 1 1.903 0.000 . 2 . . . . 141 Pro HG3 . 19446 1 1498 . 1 1 141 141 PRO C C 13 176.041 0.008 . 1 . . . . 141 Pro C . 19446 1 1499 . 1 1 141 141 PRO CA C 13 62.381 0.078 . 1 . . . . 141 Pro CA . 19446 1 1500 . 1 1 141 141 PRO CB C 13 31.120 0.028 . 1 . . . . 141 Pro CB . 19446 1 1501 . 1 1 141 141 PRO CG C 13 26.477 0.000 . 1 . . . . 141 Pro CG . 19446 1 1502 . 1 1 141 141 PRO CD C 13 49.885 0.000 . 1 . . . . 141 Pro CD . 19446 1 1503 . 1 1 142 142 GLN H H 1 8.561 0.005 . 1 . . . . 142 Gln H . 19446 1 1504 . 1 1 142 142 GLN HA H 1 4.334 0.006 . 1 . . . . 142 Gln HA . 19446 1 1505 . 1 1 142 142 GLN HB2 H 1 1.992 0.000 . 2 . . . . 142 Gln HB2 . 19446 1 1506 . 1 1 142 142 GLN HB3 H 1 2.125 0.000 . 2 . . . . 142 Gln HB3 . 19446 1 1507 . 1 1 142 142 GLN HG3 H 1 2.390 0.000 . 1 . . . . 142 Gln HG3 . 19446 1 1508 . 1 1 142 142 GLN C C 13 175.616 0.008 . 1 . . . . 142 Gln C . 19446 1 1509 . 1 1 142 142 GLN CA C 13 55.007 0.037 . 1 . . . . 142 Gln CA . 19446 1 1510 . 1 1 142 142 GLN CB C 13 28.545 0.069 . 1 . . . . 142 Gln CB . 19446 1 1511 . 1 1 142 142 GLN CG C 13 32.840 0.021 . 1 . . . . 142 Gln CG . 19446 1 1512 . 1 1 142 142 GLN N N 15 120.707 0.038 . 1 . . . . 142 Gln N . 19446 1 1513 . 1 1 143 143 GLY H H 1 8.437 0.006 . 1 . . . . 143 Gly H . 19446 1 1514 . 1 1 143 143 GLY HA3 H 1 3.951 0.007 . 1 . . . . 143 Gly HA3 . 19446 1 1515 . 1 1 143 143 GLY C C 13 173.664 0.024 . 1 . . . . 143 Gly C . 19446 1 1516 . 1 1 143 143 GLY CA C 13 44.377 0.048 . 1 . . . . 143 Gly CA . 19446 1 1517 . 1 1 143 143 GLY N N 15 110.046 0.056 . 1 . . . . 143 Gly N . 19446 1 1518 . 1 1 144 144 GLY H H 1 8.215 0.006 . 1 . . . . 144 Gly H . 19446 1 1519 . 1 1 144 144 GLY HA3 H 1 3.960 0.000 . 1 . . . . 144 Gly HA3 . 19446 1 1520 . 1 1 144 144 GLY C C 13 172.916 0.079 . 1 . . . . 144 Gly C . 19446 1 1521 . 1 1 144 144 GLY CA C 13 44.275 0.030 . 1 . . . . 144 Gly CA . 19446 1 1522 . 1 1 144 144 GLY N N 15 108.122 0.035 . 1 . . . . 144 Gly N . 19446 1 1523 . 1 1 145 145 ASN H H 1 8.369 0.005 . 1 . . . . 145 Asn H . 19446 1 1524 . 1 1 145 145 ASN HA H 1 4.680 0.004 . 1 . . . . 145 Asn HA . 19446 1 1525 . 1 1 145 145 ASN HB2 H 1 2.753 0.006 . 2 . . . . 145 Asn HB2 . 19446 1 1526 . 1 1 145 145 ASN HB3 H 1 2.786 0.008 . 2 . . . . 145 Asn HB3 . 19446 1 1527 . 1 1 145 145 ASN C C 13 174.461 0.014 . 1 . . . . 145 Asn C . 19446 1 1528 . 1 1 145 145 ASN CA C 13 52.343 0.100 . 1 . . . . 145 Asn CA . 19446 1 1529 . 1 1 145 145 ASN CB C 13 37.944 0.046 . 1 . . . . 145 Asn CB . 19446 1 1530 . 1 1 145 145 ASN N N 15 118.446 0.068 . 1 . . . . 145 Asn N . 19446 1 1531 . 1 1 146 146 GLN H H 1 8.420 0.006 . 1 . . . . 146 Gln H . 19446 1 1532 . 1 1 146 146 GLN HA H 1 4.225 0.002 . 1 . . . . 146 Gln HA . 19446 1 1533 . 1 1 146 146 GLN HB2 H 1 1.921 0.000 . 2 . . . . 146 Gln HB2 . 19446 1 1534 . 1 1 146 146 GLN HB3 H 1 1.859 0.000 . 2 . . . . 146 Gln HB3 . 19446 1 1535 . 1 1 146 146 GLN HG2 H 1 2.106 0.005 . 2 . . . . 146 Gln HG2 . 19446 1 1536 . 1 1 146 146 GLN HG3 H 1 2.151 0.012 . 2 . . . . 146 Gln HG3 . 19446 1 1537 . 1 1 146 146 GLN HE21 H 1 6.820 0.001 . 1 . . . . 146 Gln HE21 . 19446 1 1538 . 1 1 146 146 GLN HE22 H 1 7.385 0.003 . 1 . . . . 146 Gln HE22 . 19446 1 1539 . 1 1 146 146 GLN C C 13 174.750 0.033 . 1 . . . . 146 Gln C . 19446 1 1540 . 1 1 146 146 GLN CA C 13 55.356 0.023 . 1 . . . . 146 Gln CA . 19446 1 1541 . 1 1 146 146 GLN CB C 13 28.164 0.026 . 1 . . . . 146 Gln CB . 19446 1 1542 . 1 1 146 146 GLN CG C 13 32.604 0.052 . 1 . . . . 146 Gln CG . 19446 1 1543 . 1 1 146 146 GLN N N 15 120.331 0.034 . 1 . . . . 146 Gln N . 19446 1 1544 . 1 1 146 146 GLN NE2 N 15 112.184 0.009 . 1 . . . . 146 Gln NE2 . 19446 1 1545 . 1 1 147 147 PHE H H 1 8.263 0.006 . 1 . . . . 147 Phe H . 19446 1 1546 . 1 1 147 147 PHE HA H 1 4.692 0.007 . 1 . . . . 147 Phe HA . 19446 1 1547 . 1 1 147 147 PHE HB2 H 1 3.185 0.003 . 2 . . . . 147 Phe HB2 . 19446 1 1548 . 1 1 147 147 PHE HB3 H 1 3.005 0.005 . 2 . . . . 147 Phe HB3 . 19446 1 1549 . 1 1 147 147 PHE HD1 H 1 7.248 0.003 . 3 . . . . 147 Phe HD1 . 19446 1 1550 . 1 1 147 147 PHE HD2 H 1 7.248 0.003 . 3 . . . . 147 Phe HD2 . 19446 1 1551 . 1 1 147 147 PHE HE1 H 1 7.328 0.002 . 3 . . . . 147 Phe HE1 . 19446 1 1552 . 1 1 147 147 PHE HE2 H 1 7.328 0.002 . 3 . . . . 147 Phe HE2 . 19446 1 1553 . 1 1 147 147 PHE HZ H 1 7.270 0.003 . 1 . . . . 147 Phe HZ . 19446 1 1554 . 1 1 147 147 PHE C C 13 174.976 0.017 . 1 . . . . 147 Phe C . 19446 1 1555 . 1 1 147 147 PHE CA C 13 56.690 0.034 . 1 . . . . 147 Phe CA . 19446 1 1556 . 1 1 147 147 PHE CB C 13 38.467 0.026 . 1 . . . . 147 Phe CB . 19446 1 1557 . 1 1 147 147 PHE CD1 C 13 130.196 0.848 . 3 . . . . 147 Phe CD1 . 19446 1 1558 . 1 1 147 147 PHE CD2 C 13 130.196 0.848 . 3 . . . . 147 Phe CD2 . 19446 1 1559 . 1 1 147 147 PHE CE1 C 13 129.118 0.614 . 3 . . . . 147 Phe CE1 . 19446 1 1560 . 1 1 147 147 PHE CE2 C 13 129.118 0.614 . 3 . . . . 147 Phe CE2 . 19446 1 1561 . 1 1 147 147 PHE CZ C 13 127.562 0.789 . 1 . . . . 147 Phe CZ . 19446 1 1562 . 1 1 147 147 PHE N N 15 120.574 0.053 . 1 . . . . 147 Phe N . 19446 1 1563 . 1 1 148 148 SER H H 1 8.215 0.005 . 1 . . . . 148 Ser H . 19446 1 1564 . 1 1 148 148 SER HA H 1 4.442 0.003 . 1 . . . . 148 Ser HA . 19446 1 1565 . 1 1 148 148 SER HB3 H 1 3.857 0.000 . 1 . . . . 148 Ser HB3 . 19446 1 1566 . 1 1 148 148 SER C C 13 173.944 0.005 . 1 . . . . 148 Ser C . 19446 1 1567 . 1 1 148 148 SER CA C 13 57.403 0.045 . 1 . . . . 148 Ser CA . 19446 1 1568 . 1 1 148 148 SER CB C 13 62.979 0.015 . 1 . . . . 148 Ser CB . 19446 1 1569 . 1 1 148 148 SER N N 15 117.453 0.053 . 1 . . . . 148 Ser N . 19446 1 1570 . 1 1 149 149 GLY H H 1 8.059 0.005 . 1 . . . . 149 Gly H . 19446 1 1571 . 1 1 149 149 GLY C C 13 173.643 0.000 . 1 . . . . 149 Gly C . 19446 1 1572 . 1 1 149 149 GLY CA C 13 44.563 0.000 . 1 . . . . 149 Gly CA . 19446 1 1573 . 1 1 149 149 GLY N N 15 110.422 0.044 . 1 . . . . 149 Gly N . 19446 1 1574 . 1 1 150 150 GLY H H 1 8.272 0.002 . 1 . . . . 150 Gly H . 19446 1 1575 . 1 1 150 150 GLY HA3 H 1 3.973 0.000 . 1 . . . . 150 Gly HA3 . 19446 1 1576 . 1 1 150 150 GLY C C 13 173.195 0.005 . 1 . . . . 150 Gly C . 19446 1 1577 . 1 1 150 150 GLY CA C 13 44.202 0.074 . 1 . . . . 150 Gly CA . 19446 1 1578 . 1 1 150 150 GLY N N 15 108.597 0.017 . 1 . . . . 150 Gly N . 19446 1 1579 . 1 1 151 151 ALA H H 1 8.256 0.006 . 1 . . . . 151 Ala H . 19446 1 1580 . 1 1 151 151 ALA HA H 1 4.298 0.004 . 1 . . . . 151 Ala HA . 19446 1 1581 . 1 1 151 151 ALA HB1 H 1 1.389 0.005 . 1 . . . . 151 Ala HB1 . 19446 1 1582 . 1 1 151 151 ALA HB2 H 1 1.389 0.005 . 1 . . . . 151 Ala HB2 . 19446 1 1583 . 1 1 151 151 ALA HB3 H 1 1.389 0.005 . 1 . . . . 151 Ala HB3 . 19446 1 1584 . 1 1 151 151 ALA C C 13 176.993 0.012 . 1 . . . . 151 Ala C . 19446 1 1585 . 1 1 151 151 ALA CA C 13 51.838 0.078 . 1 . . . . 151 Ala CA . 19446 1 1586 . 1 1 151 151 ALA CB C 13 18.193 0.026 . 1 . . . . 151 Ala CB . 19446 1 1587 . 1 1 151 151 ALA N N 15 123.734 0.038 . 1 . . . . 151 Ala N . 19446 1 1588 . 1 1 152 152 GLN H H 1 8.376 0.006 . 1 . . . . 152 Gln H . 19446 1 1589 . 1 1 152 152 GLN HA H 1 4.339 0.008 . 1 . . . . 152 Gln HA . 19446 1 1590 . 1 1 152 152 GLN HB2 H 1 2.128 0.000 . 2 . . . . 152 Gln HB2 . 19446 1 1591 . 1 1 152 152 GLN HB3 H 1 1.984 0.003 . 2 . . . . 152 Gln HB3 . 19446 1 1592 . 1 1 152 152 GLN HG3 H 1 2.364 0.001 . 1 . . . . 152 Gln HG3 . 19446 1 1593 . 1 1 152 152 GLN C C 13 175.075 0.009 . 1 . . . . 152 Gln C . 19446 1 1594 . 1 1 152 152 GLN CA C 13 54.996 0.041 . 1 . . . . 152 Gln CA . 19446 1 1595 . 1 1 152 152 GLN CB C 13 28.398 0.032 . 1 . . . . 152 Gln CB . 19446 1 1596 . 1 1 152 152 GLN CG C 13 32.936 0.000 . 1 . . . . 152 Gln CG . 19446 1 1597 . 1 1 152 152 GLN N N 15 118.751 0.035 . 1 . . . . 152 Gln N . 19446 1 1598 . 1 1 153 153 SER H H 1 8.221 0.005 . 1 . . . . 153 Ser H . 19446 1 1599 . 1 1 153 153 SER HA H 1 4.427 0.004 . 1 . . . . 153 Ser HA . 19446 1 1600 . 1 1 153 153 SER HB3 H 1 3.848 0.000 . 1 . . . . 153 Ser HB3 . 19446 1 1601 . 1 1 153 153 SER C C 13 173.067 0.016 . 1 . . . . 153 Ser C . 19446 1 1602 . 1 1 153 153 SER CA C 13 57.380 0.056 . 1 . . . . 153 Ser CA . 19446 1 1603 . 1 1 153 153 SER CB C 13 62.945 0.025 . 1 . . . . 153 Ser CB . 19446 1 1604 . 1 1 153 153 SER N N 15 116.722 0.040 . 1 . . . . 153 Ser N . 19446 1 1605 . 1 1 154 154 ARG H H 1 8.250 0.006 . 1 . . . . 154 Arg H . 19446 1 1606 . 1 1 154 154 ARG HA H 1 4.638 0.004 . 1 . . . . 154 Arg HA . 19446 1 1607 . 1 1 154 154 ARG C C 13 173.172 0.001 . 1 . . . . 154 Arg C . 19446 1 1608 . 1 1 154 154 ARG CA C 13 53.051 0.022 . 1 . . . . 154 Arg CA . 19446 1 1609 . 1 1 154 154 ARG CB C 13 29.322 0.016 . 1 . . . . 154 Arg CB . 19446 1 1610 . 1 1 154 154 ARG CG C 13 25.782 0.000 . 1 . . . . 154 Arg CG . 19446 1 1611 . 1 1 154 154 ARG N N 15 123.344 0.044 . 1 . . . . 154 Arg N . 19446 1 1612 . 1 1 155 155 PRO HA H 1 4.407 0.003 . 1 . . . . 155 Pro HA . 19446 1 1613 . 1 1 155 155 PRO HB3 H 1 2.285 0.000 . 1 . . . . 155 Pro HB3 . 19446 1 1614 . 1 1 155 155 PRO HG2 H 1 1.887 0.000 . 2 . . . . 155 Pro HG2 . 19446 1 1615 . 1 1 155 155 PRO HG3 H 1 1.994 0.000 . 2 . . . . 155 Pro HG3 . 19446 1 1616 . 1 1 155 155 PRO C C 13 176.021 0.005 . 1 . . . . 155 Pro C . 19446 1 1617 . 1 1 155 155 PRO CA C 13 62.354 0.095 . 1 . . . . 155 Pro CA . 19446 1 1618 . 1 1 155 155 PRO CB C 13 31.096 0.033 . 1 . . . . 155 Pro CB . 19446 1 1619 . 1 1 155 155 PRO CG C 13 26.433 0.000 . 1 . . . . 155 Pro CG . 19446 1 1620 . 1 1 155 155 PRO CD C 13 49.840 0.000 . 1 . . . . 155 Pro CD . 19446 1 1621 . 1 1 156 156 GLN H H 1 8.525 0.004 . 1 . . . . 156 Gln H . 19446 1 1622 . 1 1 156 156 GLN HA H 1 4.289 0.002 . 1 . . . . 156 Gln HA . 19446 1 1623 . 1 1 156 156 GLN HB2 H 1 2.103 0.000 . 2 . . . . 156 Gln HB2 . 19446 1 1624 . 1 1 156 156 GLN HB3 H 1 1.995 0.000 . 2 . . . . 156 Gln HB3 . 19446 1 1625 . 1 1 156 156 GLN HG3 H 1 2.390 0.000 . 1 . . . . 156 Gln HG3 . 19446 1 1626 . 1 1 156 156 GLN C C 13 175.085 0.023 . 1 . . . . 156 Gln C . 19446 1 1627 . 1 1 156 156 GLN CA C 13 55.040 0.045 . 1 . . . . 156 Gln CA . 19446 1 1628 . 1 1 156 156 GLN CB C 13 28.504 0.038 . 1 . . . . 156 Gln CB . 19446 1 1629 . 1 1 156 156 GLN CG C 13 32.873 0.032 . 1 . . . . 156 Gln CG . 19446 1 1630 . 1 1 156 156 GLN N N 15 120.628 0.053 . 1 . . . . 156 Gln N . 19446 1 1631 . 1 1 157 157 GLN H H 1 8.428 0.006 . 1 . . . . 157 Gln H . 19446 1 1632 . 1 1 157 157 GLN HA H 1 4.382 0.002 . 1 . . . . 157 Gln HA . 19446 1 1633 . 1 1 157 157 GLN HB2 H 1 2.001 0.000 . 2 . . . . 157 Gln HB2 . 19446 1 1634 . 1 1 157 157 GLN HB3 H 1 2.123 0.000 . 2 . . . . 157 Gln HB3 . 19446 1 1635 . 1 1 157 157 GLN HG3 H 1 2.372 0.000 . 1 . . . . 157 Gln HG3 . 19446 1 1636 . 1 1 157 157 GLN HE21 H 1 6.824 0.000 . 1 . . . . 157 Gln HE21 . 19446 1 1637 . 1 1 157 157 GLN HE22 H 1 7.436 0.000 . 1 . . . . 157 Gln HE22 . 19446 1 1638 . 1 1 157 157 GLN C C 13 174.841 0.013 . 1 . . . . 157 Gln C . 19446 1 1639 . 1 1 157 157 GLN CA C 13 54.931 0.036 . 1 . . . . 157 Gln CA . 19446 1 1640 . 1 1 157 157 GLN CB C 13 28.123 0.000 . 1 . . . . 157 Gln CB . 19446 1 1641 . 1 1 157 157 GLN CG C 13 32.854 0.000 . 1 . . . . 157 Gln CG . 19446 1 1642 . 1 1 157 157 GLN N N 15 121.499 0.042 . 1 . . . . 157 Gln N . 19446 1 1643 . 1 1 157 157 GLN NE2 N 15 111.172 0.031 . 1 . . . . 157 Gln NE2 . 19446 1 1644 . 1 1 158 158 SER H H 1 8.345 0.005 . 1 . . . . 158 Ser H . 19446 1 1645 . 1 1 158 158 SER HA H 1 4.441 0.002 . 1 . . . . 158 Ser HA . 19446 1 1646 . 1 1 158 158 SER HB3 H 1 3.848 0.000 . 1 . . . . 158 Ser HB3 . 19446 1 1647 . 1 1 158 158 SER C C 13 172.660 0.014 . 1 . . . . 158 Ser C . 19446 1 1648 . 1 1 158 158 SER CA C 13 57.289 0.039 . 1 . . . . 158 Ser CA . 19446 1 1649 . 1 1 158 158 SER CB C 13 63.025 0.052 . 1 . . . . 158 Ser CB . 19446 1 1650 . 1 1 158 158 SER N N 15 117.286 0.042 . 1 . . . . 158 Ser N . 19446 1 1651 . 1 1 159 159 ALA H H 1 8.290 0.006 . 1 . . . . 159 Ala H . 19446 1 1652 . 1 1 159 159 ALA HB1 H 1 1.327 0.000 . 1 . . . . 159 Ala HB1 . 19446 1 1653 . 1 1 159 159 ALA HB2 H 1 1.327 0.000 . 1 . . . . 159 Ala HB2 . 19446 1 1654 . 1 1 159 159 ALA HB3 H 1 1.327 0.000 . 1 . . . . 159 Ala HB3 . 19446 1 1655 . 1 1 159 159 ALA C C 13 174.340 0.000 . 1 . . . . 159 Ala C . 19446 1 1656 . 1 1 159 159 ALA CA C 13 49.497 0.032 . 1 . . . . 159 Ala CA . 19446 1 1657 . 1 1 159 159 ALA CB C 13 17.327 0.073 . 1 . . . . 159 Ala CB . 19446 1 1658 . 1 1 159 159 ALA N N 15 126.808 0.037 . 1 . . . . 159 Ala N . 19446 1 1659 . 1 1 160 160 PRO HA H 1 4.383 0.001 . 1 . . . . 160 Pro HA . 19446 1 1660 . 1 1 160 160 PRO HB3 H 1 2.271 0.000 . 1 . . . . 160 Pro HB3 . 19446 1 1661 . 1 1 160 160 PRO HG2 H 1 1.988 0.000 . 2 . . . . 160 Pro HG2 . 19446 1 1662 . 1 1 160 160 PRO HG3 H 1 1.897 0.000 . 2 . . . . 160 Pro HG3 . 19446 1 1663 . 1 1 160 160 PRO C C 13 175.536 0.010 . 1 . . . . 160 Pro C . 19446 1 1664 . 1 1 160 160 PRO CA C 13 62.038 0.038 . 1 . . . . 160 Pro CA . 19446 1 1665 . 1 1 160 160 PRO CB C 13 31.083 0.015 . 1 . . . . 160 Pro CB . 19446 1 1666 . 1 1 160 160 PRO CG C 13 26.352 0.000 . 1 . . . . 160 Pro CG . 19446 1 1667 . 1 1 160 160 PRO CD C 13 49.595 0.000 . 1 . . . . 160 Pro CD . 19446 1 1668 . 1 1 161 161 ALA H H 1 8.325 0.006 . 1 . . . . 161 Ala H . 19446 1 1669 . 1 1 161 161 ALA HA H 1 4.286 0.001 . 1 . . . . 161 Ala HA . 19446 1 1670 . 1 1 161 161 ALA HB1 H 1 1.360 0.000 . 1 . . . . 161 Ala HB1 . 19446 1 1671 . 1 1 161 161 ALA HB2 H 1 1.360 0.000 . 1 . . . . 161 Ala HB2 . 19446 1 1672 . 1 1 161 161 ALA HB3 H 1 1.360 0.000 . 1 . . . . 161 Ala HB3 . 19446 1 1673 . 1 1 161 161 ALA C C 13 176.075 0.006 . 1 . . . . 161 Ala C . 19446 1 1674 . 1 1 161 161 ALA CA C 13 51.133 0.045 . 1 . . . . 161 Ala CA . 19446 1 1675 . 1 1 161 161 ALA CB C 13 18.398 0.046 . 1 . . . . 161 Ala CB . 19446 1 1676 . 1 1 161 161 ALA N N 15 124.290 0.034 . 1 . . . . 161 Ala N . 19446 1 1677 . 1 1 162 162 ALA H H 1 8.238 0.007 . 1 . . . . 162 Ala H . 19446 1 1678 . 1 1 162 162 ALA C C 13 174.569 0.000 . 1 . . . . 162 Ala C . 19446 1 1679 . 1 1 162 162 ALA CA C 13 49.374 0.000 . 1 . . . . 162 Ala CA . 19446 1 1680 . 1 1 162 162 ALA CB C 13 17.309 0.000 . 1 . . . . 162 Ala CB . 19446 1 1681 . 1 1 162 162 ALA N N 15 124.562 0.088 . 1 . . . . 162 Ala N . 19446 1 1682 . 1 1 163 163 PRO HA H 1 4.432 0.002 . 1 . . . . 163 Pro HA . 19446 1 1683 . 1 1 163 163 PRO HB3 H 1 2.288 0.000 . 1 . . . . 163 Pro HB3 . 19446 1 1684 . 1 1 163 163 PRO HG3 H 1 1.943 0.000 . 1 . . . . 163 Pro HG3 . 19446 1 1685 . 1 1 163 163 PRO C C 13 176.087 0.002 . 1 . . . . 163 Pro C . 19446 1 1686 . 1 1 163 163 PRO CA C 13 62.202 0.075 . 1 . . . . 163 Pro CA . 19446 1 1687 . 1 1 163 163 PRO CB C 13 31.136 0.017 . 1 . . . . 163 Pro CB . 19446 1 1688 . 1 1 163 163 PRO CG C 13 26.450 0.000 . 1 . . . . 163 Pro CG . 19446 1 1689 . 1 1 163 163 PRO CD C 13 49.646 0.000 . 1 . . . . 163 Pro CD . 19446 1 1690 . 1 1 164 164 SER H H 1 8.397 0.005 . 1 . . . . 164 Ser H . 19446 1 1691 . 1 1 164 164 SER HA H 1 4.431 0.003 . 1 . . . . 164 Ser HA . 19446 1 1692 . 1 1 164 164 SER HB3 H 1 3.889 0.002 . 1 . . . . 164 Ser HB3 . 19446 1 1693 . 1 1 164 164 SER C C 13 173.426 0.010 . 1 . . . . 164 Ser C . 19446 1 1694 . 1 1 164 164 SER CA C 13 57.403 0.069 . 1 . . . . 164 Ser CA . 19446 1 1695 . 1 1 164 164 SER CB C 13 62.997 0.041 . 1 . . . . 164 Ser CB . 19446 1 1696 . 1 1 164 164 SER N N 15 115.571 0.040 . 1 . . . . 164 Ser N . 19446 1 1697 . 1 1 165 165 ASN H H 1 8.437 0.004 . 1 . . . . 165 Asn H . 19446 1 1698 . 1 1 165 165 ASN HA H 1 4.760 0.006 . 1 . . . . 165 Asn HA . 19446 1 1699 . 1 1 165 165 ASN HB2 H 1 2.818 0.000 . 1 . . . . 165 Asn HB2 . 19446 1 1700 . 1 1 165 165 ASN C C 13 173.637 0.012 . 1 . . . . 165 Asn C . 19446 1 1701 . 1 1 165 165 ASN CA C 13 52.157 0.012 . 1 . . . . 165 Asn CA . 19446 1 1702 . 1 1 165 165 ASN CB C 13 37.843 0.034 . 1 . . . . 165 Asn CB . 19446 1 1703 . 1 1 165 165 ASN N N 15 120.182 0.053 . 1 . . . . 165 Asn N . 19446 1 1704 . 1 1 166 166 GLU H H 1 8.074 0.007 . 1 . . . . 166 Glu H . 19446 1 1705 . 1 1 166 166 GLU HA H 1 4.526 0.006 . 1 . . . . 166 Glu HA . 19446 1 1706 . 1 1 166 166 GLU HB2 H 1 1.866 0.003 . 2 . . . . 166 Glu HB2 . 19446 1 1707 . 1 1 166 166 GLU HB3 H 1 2.037 0.001 . 2 . . . . 166 Glu HB3 . 19446 1 1708 . 1 1 166 166 GLU HG2 H 1 2.302 0.009 . 1 . . . . 166 Glu HG2 . 19446 1 1709 . 1 1 166 166 GLU C C 13 172.328 0.004 . 1 . . . . 166 Glu C . 19446 1 1710 . 1 1 166 166 GLU CA C 13 52.721 0.049 . 1 . . . . 166 Glu CA . 19446 1 1711 . 1 1 166 166 GLU CB C 13 27.878 0.018 . 1 . . . . 166 Glu CB . 19446 1 1712 . 1 1 166 166 GLU CG C 13 32.387 0.000 . 1 . . . . 166 Glu CG . 19446 1 1713 . 1 1 166 166 GLU N N 15 120.899 0.040 . 1 . . . . 166 Glu N . 19446 1 1714 . 1 1 167 167 PRO HD2 H 1 3.463 0.000 . 2 . . . . 167 Pro HD2 . 19446 1 1715 . 1 1 167 167 PRO HD3 H 1 3.642 0.000 . 2 . . . . 167 Pro HD3 . 19446 1 1716 . 1 1 168 168 PRO HA H 1 4.316 0.003 . 1 . . . . 168 Pro HA . 19446 1 1717 . 1 1 168 168 PRO HB3 H 1 2.210 0.003 . 1 . . . . 168 Pro HB3 . 19446 1 1718 . 1 1 168 168 PRO HG3 H 1 1.823 0.004 . 1 . . . . 168 Pro HG3 . 19446 1 1719 . 1 1 168 168 PRO C C 13 175.897 0.007 . 1 . . . . 168 Pro C . 19446 1 1720 . 1 1 168 168 PRO CA C 13 61.964 0.086 . 1 . . . . 168 Pro CA . 19446 1 1721 . 1 1 168 168 PRO CB C 13 30.927 0.109 . 1 . . . . 168 Pro CB . 19446 1 1722 . 1 1 168 168 PRO CG C 13 26.366 0.013 . 1 . . . . 168 Pro CG . 19446 1 1723 . 1 1 168 168 PRO CD C 13 49.360 0.054 . 1 . . . . 168 Pro CD . 19446 1 1724 . 1 1 169 169 MET H H 1 8.303 0.005 . 1 . . . . 169 Met H . 19446 1 1725 . 1 1 169 169 MET HA H 1 4.270 0.007 . 1 . . . . 169 Met HA . 19446 1 1726 . 1 1 169 169 MET HB3 H 1 1.832 0.006 . 1 . . . . 169 Met HB3 . 19446 1 1727 . 1 1 169 169 MET HG2 H 1 2.379 0.000 . 2 . . . . 169 Met HG2 . 19446 1 1728 . 1 1 169 169 MET HG3 H 1 2.427 0.000 . 2 . . . . 169 Met HG3 . 19446 1 1729 . 1 1 169 169 MET HE1 H 1 1.971 0.001 . 1 . . . . 169 Met HE1 . 19446 1 1730 . 1 1 169 169 MET HE2 H 1 1.971 0.001 . 1 . . . . 169 Met HE2 . 19446 1 1731 . 1 1 169 169 MET HE3 H 1 1.971 0.001 . 1 . . . . 169 Met HE3 . 19446 1 1732 . 1 1 169 169 MET C C 13 174.540 0.004 . 1 . . . . 169 Met C . 19446 1 1733 . 1 1 169 169 MET CA C 13 54.730 0.026 . 1 . . . . 169 Met CA . 19446 1 1734 . 1 1 169 169 MET CB C 13 32.064 0.061 . 1 . . . . 169 Met CB . 19446 1 1735 . 1 1 169 169 MET CE C 13 16.233 0.026 . 1 . . . . 169 Met CE . 19446 1 1736 . 1 1 169 169 MET N N 15 119.839 0.077 . 1 . . . . 169 Met N . 19446 1 1737 . 1 1 170 170 ASP H H 1 8.220 0.008 . 1 . . . . 170 Asp H . 19446 1 1738 . 1 1 170 170 ASP HA H 1 4.573 0.005 . 1 . . . . 170 Asp HA . 19446 1 1739 . 1 1 170 170 ASP HB2 H 1 2.699 0.008 . 2 . . . . 170 Asp HB2 . 19446 1 1740 . 1 1 170 170 ASP HB3 H 1 2.616 0.007 . 2 . . . . 170 Asp HB3 . 19446 1 1741 . 1 1 170 170 ASP C C 13 174.092 0.017 . 1 . . . . 170 Asp C . 19446 1 1742 . 1 1 170 170 ASP CA C 13 52.240 0.077 . 1 . . . . 170 Asp CA . 19446 1 1743 . 1 1 170 170 ASP CB C 13 38.604 0.049 . 1 . . . . 170 Asp CB . 19446 1 1744 . 1 1 170 170 ASP N N 15 119.693 0.086 . 1 . . . . 170 Asp N . 19446 1 1745 . 1 1 171 171 PHE H H 1 8.133 0.003 . 1 . . . . 171 Phe H . 19446 1 1746 . 1 1 171 171 PHE HA H 1 4.448 0.008 . 1 . . . . 171 Phe HA . 19446 1 1747 . 1 1 171 171 PHE HB2 H 1 2.986 0.006 . 2 . . . . 171 Phe HB2 . 19446 1 1748 . 1 1 171 171 PHE HB3 H 1 2.862 0.006 . 2 . . . . 171 Phe HB3 . 19446 1 1749 . 1 1 171 171 PHE HD1 H 1 7.108 0.005 . 3 . . . . 171 Phe HD1 . 19446 1 1750 . 1 1 171 171 PHE HD2 H 1 7.108 0.005 . 3 . . . . 171 Phe HD2 . 19446 1 1751 . 1 1 171 171 PHE HE1 H 1 7.232 0.000 . 3 . . . . 171 Phe HE1 . 19446 1 1752 . 1 1 171 171 PHE HE2 H 1 7.232 0.000 . 3 . . . . 171 Phe HE2 . 19446 1 1753 . 1 1 171 171 PHE HZ H 1 7.134 0.000 . 1 . . . . 171 Phe HZ . 19446 1 1754 . 1 1 171 171 PHE C C 13 174.205 0.001 . 1 . . . . 171 Phe C . 19446 1 1755 . 1 1 171 171 PHE CA C 13 57.071 0.080 . 1 . . . . 171 Phe CA . 19446 1 1756 . 1 1 171 171 PHE CB C 13 38.932 0.035 . 1 . . . . 171 Phe CB . 19446 1 1757 . 1 1 171 171 PHE CD1 C 13 130.501 0.798 . 3 . . . . 171 Phe CD1 . 19446 1 1758 . 1 1 171 171 PHE CD2 C 13 130.501 0.798 . 3 . . . . 171 Phe CD2 . 19446 1 1759 . 1 1 171 171 PHE N N 15 120.081 0.069 . 1 . . . . 171 Phe N . 19446 1 1760 . 1 1 172 172 ASP H H 1 8.283 0.006 . 1 . . . . 172 Asp H . 19446 1 1761 . 1 1 172 172 ASP HA H 1 4.582 0.009 . 1 . . . . 172 Asp HA . 19446 1 1762 . 1 1 172 172 ASP HB2 H 1 2.598 0.006 . 2 . . . . 172 Asp HB2 . 19446 1 1763 . 1 1 172 172 ASP HB3 H 1 2.721 0.012 . 2 . . . . 172 Asp HB3 . 19446 1 1764 . 1 1 172 172 ASP C C 13 173.820 0.000 . 1 . . . . 172 Asp C . 19446 1 1765 . 1 1 172 172 ASP CA C 13 52.392 0.080 . 1 . . . . 172 Asp CA . 19446 1 1766 . 1 1 172 172 ASP CB C 13 38.513 0.061 . 1 . . . . 172 Asp CB . 19446 1 1767 . 1 1 172 172 ASP N N 15 119.483 0.103 . 1 . . . . 172 Asp N . 19446 1 1768 . 1 1 173 173 ASP HA H 1 4.660 0.006 . 1 . . . . 173 Asp HA . 19446 1 1769 . 1 1 173 173 ASP HB2 H 1 2.666 0.009 . 2 . . . . 173 Asp HB2 . 19446 1 1770 . 1 1 173 173 ASP HB3 H 1 2.841 0.005 . 2 . . . . 173 Asp HB3 . 19446 1 1771 . 1 1 173 173 ASP CA C 13 52.626 0.067 . 1 . . . . 173 Asp CA . 19446 1 1772 . 1 1 173 173 ASP CB C 13 38.373 0.037 . 1 . . . . 173 Asp CB . 19446 1 1773 . 1 1 174 174 ASP H H 1 8.171 0.006 . 1 . . . . 174 Asp H . 19446 1 1774 . 1 1 174 174 ASP HA H 1 4.622 0.004 . 1 . . . . 174 Asp HA . 19446 1 1775 . 1 1 174 174 ASP HB2 H 1 2.699 0.004 . 2 . . . . 174 Asp HB2 . 19446 1 1776 . 1 1 174 174 ASP HB3 H 1 2.798 0.012 . 2 . . . . 174 Asp HB3 . 19446 1 1777 . 1 1 174 174 ASP C C 13 173.804 0.014 . 1 . . . . 174 Asp C . 19446 1 1778 . 1 1 174 174 ASP CA C 13 52.422 0.083 . 1 . . . . 174 Asp CA . 19446 1 1779 . 1 1 174 174 ASP CB C 13 38.162 0.118 . 1 . . . . 174 Asp CB . 19446 1 1780 . 1 1 174 174 ASP N N 15 118.895 0.065 . 1 . . . . 174 Asp N . 19446 1 1781 . 1 1 175 175 ILE H H 1 7.714 0.005 . 1 . . . . 175 Ile H . 19446 1 1782 . 1 1 175 175 ILE HA H 1 4.258 0.005 . 1 . . . . 175 Ile HA . 19446 1 1783 . 1 1 175 175 ILE HB H 1 1.710 0.002 . 1 . . . . 175 Ile HB . 19446 1 1784 . 1 1 175 175 ILE HG12 H 1 1.365 0.006 . 2 . . . . 175 Ile HG12 . 19446 1 1785 . 1 1 175 175 ILE HG13 H 1 0.989 0.005 . 2 . . . . 175 Ile HG13 . 19446 1 1786 . 1 1 175 175 ILE HG21 H 1 0.734 0.006 . 1 . . . . 175 Ile HG21 . 19446 1 1787 . 1 1 175 175 ILE HG22 H 1 0.734 0.006 . 1 . . . . 175 Ile HG22 . 19446 1 1788 . 1 1 175 175 ILE HG23 H 1 0.734 0.006 . 1 . . . . 175 Ile HG23 . 19446 1 1789 . 1 1 175 175 ILE HD11 H 1 0.754 0.004 . 1 . . . . 175 Ile HD11 . 19446 1 1790 . 1 1 175 175 ILE HD12 H 1 0.754 0.004 . 1 . . . . 175 Ile HD12 . 19446 1 1791 . 1 1 175 175 ILE HD13 H 1 0.754 0.004 . 1 . . . . 175 Ile HD13 . 19446 1 1792 . 1 1 175 175 ILE C C 13 173.409 0.006 . 1 . . . . 175 Ile C . 19446 1 1793 . 1 1 175 175 ILE CA C 13 57.544 0.072 . 1 . . . . 175 Ile CA . 19446 1 1794 . 1 1 175 175 ILE CB C 13 37.840 0.055 . 1 . . . . 175 Ile CB . 19446 1 1795 . 1 1 175 175 ILE CG1 C 13 25.990 0.053 . 1 . . . . 175 Ile CG1 . 19446 1 1796 . 1 1 175 175 ILE CG2 C 13 16.342 0.137 . 1 . . . . 175 Ile CG2 . 19446 1 1797 . 1 1 175 175 ILE CD1 C 13 12.031 0.029 . 1 . . . . 175 Ile CD1 . 19446 1 1798 . 1 1 175 175 ILE N N 15 121.560 0.084 . 1 . . . . 175 Ile N . 19446 1 1799 . 1 1 176 176 PRO HA H 1 4.315 0.007 . 1 . . . . 176 Pro HA . 19446 1 1800 . 1 1 176 176 PRO HB2 H 1 1.853 0.035 . 2 . . . . 176 Pro HB2 . 19446 1 1801 . 1 1 176 176 PRO HB3 H 1 2.052 0.003 . 2 . . . . 176 Pro HB3 . 19446 1 1802 . 1 1 176 176 PRO HG3 H 1 1.808 0.007 . 1 . . . . 176 Pro HG3 . 19446 1 1803 . 1 1 176 176 PRO HD2 H 1 3.637 0.001 . 2 . . . . 176 Pro HD2 . 19446 1 1804 . 1 1 176 176 PRO HD3 H 1 3.392 0.003 . 2 . . . . 176 Pro HD3 . 19446 1 1805 . 1 1 176 176 PRO C C 13 174.579 0.007 . 1 . . . . 176 Pro C . 19446 1 1806 . 1 1 176 176 PRO CA C 13 62.252 0.079 . 1 . . . . 176 Pro CA . 19446 1 1807 . 1 1 176 176 PRO CB C 13 30.887 0.166 . 1 . . . . 176 Pro CB . 19446 1 1808 . 1 1 176 176 PRO CG C 13 26.190 0.000 . 1 . . . . 176 Pro CG . 19446 1 1809 . 1 1 176 176 PRO CD C 13 50.053 0.000 . 1 . . . . 176 Pro CD . 19446 1 1810 . 1 1 177 177 PHE H H 1 7.594 0.015 . 1 . . . . 177 Phe H . 19446 1 1811 . 1 1 177 177 PHE HA H 1 4.387 0.003 . 1 . . . . 177 Phe HA . 19446 1 1812 . 1 1 177 177 PHE HB2 H 1 2.935 0.004 . 2 . . . . 177 Phe HB2 . 19446 1 1813 . 1 1 177 177 PHE HB3 H 1 3.027 0.008 . 2 . . . . 177 Phe HB3 . 19446 1 1814 . 1 1 177 177 PHE HD1 H 1 7.171 0.007 . 3 . . . . 177 Phe HD1 . 19446 1 1815 . 1 1 177 177 PHE HD2 H 1 7.171 0.007 . 3 . . . . 177 Phe HD2 . 19446 1 1816 . 1 1 177 177 PHE HE1 H 1 7.224 0.005 . 3 . . . . 177 Phe HE1 . 19446 1 1817 . 1 1 177 177 PHE HE2 H 1 7.224 0.005 . 3 . . . . 177 Phe HE2 . 19446 1 1818 . 1 1 177 177 PHE HZ H 1 7.141 0.002 . 1 . . . . 177 Phe HZ . 19446 1 1819 . 1 1 177 177 PHE C C 13 178.723 0.000 . 1 . . . . 177 Phe C . 19446 1 1820 . 1 1 177 177 PHE CA C 13 57.639 0.057 . 1 . . . . 177 Phe CA . 19446 1 1821 . 1 1 177 177 PHE CB C 13 39.122 0.113 . 1 . . . . 177 Phe CB . 19446 1 1822 . 1 1 177 177 PHE CD1 C 13 130.630 0.802 . 3 . . . . 177 Phe CD1 . 19446 1 1823 . 1 1 177 177 PHE CD2 C 13 130.630 0.802 . 3 . . . . 177 Phe CD2 . 19446 1 1824 . 1 1 177 177 PHE CE1 C 13 128.517 0.027 . 3 . . . . 177 Phe CE1 . 19446 1 1825 . 1 1 177 177 PHE CE2 C 13 128.517 0.027 . 3 . . . . 177 Phe CE2 . 19446 1 1826 . 1 1 177 177 PHE CZ C 13 127.695 0.943 . 1 . . . . 177 Phe CZ . 19446 1 1827 . 1 1 177 177 PHE N N 15 123.697 0.152 . 1 . . . . 177 Phe N . 19446 1 stop_ save_